data_15750_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15750
_Entry.PDB_ID 2K3D
_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 2 2 PHE HA H 13 4.400 4.135 0.265 1
1 9 . 1 1 1 A 2 2 PHE C C 13 176.400 178.055 -1.655 1
1 10 . 1 1 1 A 2 2 PHE CA C 13 60.700 60.458 0.242 1
1 11 . 1 1 1 A 2 2 PHE CB C 13 39.700 38.223 1.477 1
1 17 . 1 1 1 A 3 3 PHE H H 14 9.000 8.256 0.744 1
1 18 . 1 1 1 A 3 3 PHE HA H 14 4.000 4.109 -0.109 1
1 25 . 1 1 1 A 3 3 PHE C C 14 177.400 178.271 -0.871 1
1 26 . 1 1 1 A 3 3 PHE CA C 14 61.400 62.513 -1.113 1
1 27 . 1 1 1 A 3 3 PHE CB C 14 38.400 38.695 -0.295 1
1 32 . 1 1 1 A 3 3 PHE N N 14 118.700 117.976 0.724 1
1 33 . 1 1 1 A 4 4 ASN H H 15 8.000 8.148 -0.148 1
1 34 . 1 1 1 A 4 4 ASN HA H 15 4.250 4.196 0.054 1
1 39 . 1 1 1 A 4 4 ASN C C 15 177.300 178.551 -1.251 1
1 40 . 1 1 1 A 4 4 ASN CA C 15 56.400 56.451 -0.051 1
1 41 . 1 1 1 A 4 4 ASN CB C 15 38.000 37.817 0.183 1
1 43 . 1 1 1 A 4 4 ASN N N 15 118.300 117.092 1.208 1
1 45 . 1 1 1 A 5 5 GLU H H 16 8.080 8.042 0.038 1
1 46 . 1 1 1 A 5 5 GLU HA H 16 3.970 3.997 -0.027 1
1 51 . 1 1 1 A 5 5 GLU C C 16 179.600 179.102 0.498 1
1 52 . 1 1 1 A 5 5 GLU CA C 16 59.200 59.087 0.113 1
1 53 . 1 1 1 A 5 5 GLU CB C 16 29.400 29.248 0.152 1
1 55 . 1 1 1 A 5 5 GLU N N 16 120.400 120.628 -0.228 1
1 56 . 1 1 1 A 6 6 GLN H H 17 7.930 7.653 0.277 1
1 57 . 1 1 1 A 6 6 GLN HA H 17 3.560 3.961 -0.401 1
1 64 . 1 1 1 A 6 6 GLN CA C 17 58.600 58.572 0.028 1
1 65 . 1 1 1 A 6 6 GLN CB C 17 28.100 28.228 -0.128 1
1 68 . 1 1 1 A 6 6 GLN N N 17 117.900 119.051 -1.151 1
1 70 . 1 1 1 A 7 7 LYS H H 18 8.120 7.408 0.712 1
1 71 . 1 1 1 A 7 7 LYS HA H 18 3.350 3.957 -0.607 1
1 80 . 1 1 1 A 7 7 LYS C C 18 179.900 179.581 0.319 1
1 81 . 1 1 1 A 7 7 LYS CA C 18 60.600 59.541 1.059 1
1 82 . 1 1 1 A 7 7 LYS CB C 18 32.000 31.726 0.274 1
1 86 . 1 1 1 A 7 7 LYS N N 18 118.800 120.151 -1.351 1
1 87 . 1 1 1 A 8 8 GLU H H 19 7.740 8.085 -0.345 1
1 88 . 1 1 1 A 8 8 GLU HA H 19 4.040 4.128 -0.088 1
1 93 . 1 1 1 A 8 8 GLU C C 19 179.000 179.182 -0.182 1
1 94 . 1 1 1 A 8 8 GLU CA C 19 59.800 58.945 0.855 1
1 95 . 1 1 1 A 8 8 GLU CB C 19 29.100 29.407 -0.307 1
1 97 . 1 1 1 A 8 8 GLU N N 19 121.300 120.262 1.038 1
1 98 . 1 1 1 A 9 9 LYS H H 20 7.500 7.642 -0.142 1
1 99 . 1 1 1 A 9 9 LYS HA H 20 3.950 3.827 0.123 1
1 108 . 1 1 1 A 9 9 LYS C C 20 178.100 179.429 -1.329 1
1 109 . 1 1 1 A 9 9 LYS CA C 20 60.500 59.255 1.245 1
1 110 . 1 1 1 A 9 9 LYS CB C 20 32.200 31.872 0.328 1
1 114 . 1 1 1 A 9 9 LYS N N 20 120.100 119.218 0.882 1
1 115 . 1 1 1 A 10 10 VAL H H 21 8.030 7.892 0.138 1
1 116 . 1 1 1 A 10 10 VAL HA H 21 3.410 3.648 -0.238 1
1 124 . 1 1 1 A 10 10 VAL C C 21 177.400 178.176 -0.776 1
1 125 . 1 1 1 A 10 10 VAL CA C 21 66.600 66.344 0.256 1
1 126 . 1 1 1 A 10 10 VAL CB C 21 31.800 31.814 -0.014 1
1 129 . 1 1 1 A 10 10 VAL N N 21 117.300 119.647 -2.347 1
1 130 . 1 1 1 A 11 11 THR H H 22 8.230 8.247 -0.017 1
1 131 . 1 1 1 A 11 11 THR HA H 22 3.580 3.735 -0.155 1
1 137 . 1 1 1 A 11 11 THR C C 22 174.700 176.302 -1.602 1
1 138 . 1 1 1 A 11 11 THR CA C 22 68.700 66.942 1.758 1
1 139 . 1 1 1 A 11 11 THR CB C 22 68.500 68.571 -0.071 1
1 141 . 1 1 1 A 11 11 THR N N 22 115.700 117.210 -1.510 1
1 142 . 1 1 1 A 12 12 LEU H H 23 7.780 8.285 -0.505 1
1 143 . 1 1 1 A 12 12 LEU HA H 23 3.930 3.898 0.032 1
1 153 . 1 1 1 A 12 12 LEU C C 23 178.400 178.329 0.071 1
1 154 . 1 1 1 A 12 12 LEU CA C 23 58.500 58.149 0.351 1
1 155 . 1 1 1 A 12 12 LEU CB C 23 42.300 41.732 0.568 1
1 159 . 1 1 1 A 12 12 LEU N N 23 121.400 121.341 0.059 1
1 160 . 1 1 1 A 13 13 TYR H H 24 7.970 8.813 -0.843 1
1 161 . 1 1 1 A 13 13 TYR HA H 24 3.910 4.268 -0.358 1
1 168 . 1 1 1 A 13 13 TYR C C 24 177.400 177.321 0.079 1
1 169 . 1 1 1 A 13 13 TYR CA C 24 61.700 61.366 0.334 1
1 170 . 1 1 1 A 13 13 TYR CB C 24 39.400 38.734 0.666 1
1 175 . 1 1 1 A 13 13 TYR N N 24 119.100 119.651 -0.551 1
1 176 . 1 1 1 A 14 14 LEU H H 25 8.230 8.489 -0.259 1
1 177 . 1 1 1 A 14 14 LEU HA H 25 3.400 3.541 -0.141 1
1 187 . 1 1 1 A 14 14 LEU C C 25 177.200 179.298 -2.098 1
1 188 . 1 1 1 A 14 14 LEU CA C 25 57.600 57.705 -0.105 1
1 189 . 1 1 1 A 14 14 LEU CB C 25 42.200 41.059 1.141 1
1 193 . 1 1 1 A 14 14 LEU N N 25 119.600 119.733 -0.133 1
1 194 . 1 1 1 A 15 15 LYS H H 26 8.010 7.616 0.394 1
1 195 . 1 1 1 A 15 15 LYS HA H 26 3.230 4.129 -0.899 1
1 204 . 1 1 1 A 15 15 LYS C C 26 178.800 178.500 0.300 1
1 205 . 1 1 1 A 15 15 LYS CA C 26 59.000 58.726 0.274 1
1 206 . 1 1 1 A 15 15 LYS CB C 26 32.600 31.721 0.879 1
1 210 . 1 1 1 A 15 15 LYS N N 26 117.000 117.956 -0.956 1
1 211 . 1 1 1 A 16 16 HIS H H 27 7.890 7.538 0.352 1
1 212 . 1 1 1 A 16 16 HIS HA H 27 4.030 4.152 -0.122 1
1 217 . 1 1 1 A 16 16 HIS C C 27 175.900 176.311 -0.411 1
1 218 . 1 1 1 A 16 16 HIS CA C 27 59.000 59.965 -0.965 1
1 219 . 1 1 1 A 16 16 HIS CB C 27 30.900 30.270 0.630 1
1 222 . 1 1 1 A 16 16 HIS N N 27 113.200 118.317 -5.117 1
1 223 . 1 1 1 A 17 17 ASN H H 28 6.950 7.115 -0.165 1
1 224 . 1 1 1 A 17 17 ASN HA H 28 4.900 4.500 0.400 1
1 229 . 1 1 1 A 17 17 ASN C C 28 172.900 174.012 -1.112 1
1 230 . 1 1 1 A 17 17 ASN CA C 28 54.100 53.397 0.703 1
1 231 . 1 1 1 A 17 17 ASN CB C 28 42.500 38.828 3.672 1
1 233 . 1 1 1 A 17 17 ASN N N 28 112.200 113.454 -1.254 1
1 235 . 1 1 1 A 18 18 ILE H H 29 7.310 7.226 0.084 1
1 236 . 1 1 1 A 18 18 ILE HA H 29 4.560 4.379 0.181 1
1 246 . 1 1 1 A 18 18 ILE CA C 29 58.000 57.877 0.123 1
1 247 . 1 1 1 A 18 18 ILE CB C 29 38.000 39.059 -1.059 1
1 251 . 1 1 1 A 18 18 ILE N N 29 119.300 118.553 0.747 1
1 252 . 1 1 1 A 19 19 PRO HA H 30 4.170 4.451 -0.281 1
1 259 . 1 1 1 A 19 19 PRO C C 30 178.000 177.302 0.698 1
1 260 . 1 1 1 A 19 19 PRO CA C 30 65.700 64.457 1.243 1
1 261 . 1 1 1 A 19 19 PRO CB C 30 32.100 31.834 0.266 1
1 264 . 1 1 1 A 20 20 ASP H H 31 8.470 8.238 0.232 1
1 265 . 1 1 1 A 20 20 ASP HA H 31 4.790 4.703 0.087 1
1 268 . 1 1 1 A 20 20 ASP C C 31 175.600 175.944 -0.344 1
1 269 . 1 1 1 A 20 20 ASP CA C 31 53.800 54.088 -0.288 1
1 270 . 1 1 1 A 20 20 ASP CB C 31 39.600 40.995 -1.395 1
1 271 . 1 1 1 A 20 20 ASP N N 31 113.700 117.370 -3.670 1
1 272 . 1 1 1 A 21 21 PHE H H 32 7.890 7.482 0.408 1
1 273 . 1 1 1 A 21 21 PHE HA H 32 3.810 4.367 -0.557 1
1 281 . 1 1 1 A 21 21 PHE C C 32 174.200 175.321 -1.121 1
1 282 . 1 1 1 A 21 21 PHE CA C 32 61.100 59.599 1.501 1
1 283 . 1 1 1 A 21 21 PHE CB C 32 39.900 39.827 0.073 1
1 289 . 1 1 1 A 21 21 PHE N N 32 122.200 123.535 -1.335 1
1 290 . 1 1 1 A 22 22 ASN H H 33 9.380 8.515 0.865 1
1 291 . 1 1 1 A 22 22 ASN HA H 33 4.680 4.560 0.120 1
1 296 . 1 1 1 A 22 22 ASN C C 33 173.600 173.615 -0.015 1
1 297 . 1 1 1 A 22 22 ASN CA C 33 54.600 54.319 0.281 1
1 298 . 1 1 1 A 22 22 ASN CB C 33 41.700 40.650 1.050 1
1 300 . 1 1 1 A 22 22 ASN N N 33 126.600 125.584 1.016 1
1 302 . 1 1 1 A 23 23 THR H H 34 7.010 7.034 -0.024 1
1 303 . 1 1 1 A 23 23 THR HA H 34 4.280 4.344 -0.064 1
1 308 . 1 1 1 A 23 23 THR C C 34 171.100 171.433 -0.333 1
1 309 . 1 1 1 A 23 23 THR CA C 34 60.300 60.456 -0.156 1
1 310 . 1 1 1 A 23 23 THR CB C 34 71.100 70.735 0.365 1
1 312 . 1 1 1 A 23 23 THR N N 34 109.600 110.888 -1.288 1
1 313 . 1 1 1 A 24 24 VAL H H 35 8.290 9.054 -0.764 1
1 314 . 1 1 1 A 24 24 VAL HA H 35 4.850 5.183 -0.333 1
1 322 . 1 1 1 A 24 24 VAL C C 35 171.400 173.349 -1.949 1
1 323 . 1 1 1 A 24 24 VAL CA C 35 59.300 59.873 -0.573 1
1 324 . 1 1 1 A 24 24 VAL CB C 35 35.500 34.956 0.544 1
1 327 . 1 1 1 A 24 24 VAL N N 35 119.500 123.542 -4.042 1
1 328 . 1 1 1 A 25 25 THR H H 36 8.200 8.730 -0.530 1
1 329 . 1 1 1 A 25 25 THR HA H 36 4.150 4.859 -0.709 1
1 334 . 1 1 1 A 25 25 THR C C 36 171.900 173.417 -1.517 1
1 335 . 1 1 1 A 25 25 THR CA C 36 61.100 60.704 0.396 1
1 336 . 1 1 1 A 25 25 THR CB C 36 70.900 70.859 0.041 1
1 338 . 1 1 1 A 25 25 THR N N 36 125.200 123.042 2.158 1
1 339 . 1 1 1 A 26 26 PHE H H 37 8.900 8.753 0.147 1
1 340 . 1 1 1 A 26 26 PHE HA H 37 5.140 5.114 0.026 1
1 348 . 1 1 1 A 26 26 PHE C C 37 176.900 175.199 1.701 1
1 349 . 1 1 1 A 26 26 PHE CA C 37 58.100 57.077 1.023 1
1 350 . 1 1 1 A 26 26 PHE CB C 37 39.900 41.786 -1.886 1
1 356 . 1 1 1 A 26 26 PHE N N 37 124.500 125.763 -1.263 1
1 357 . 1 1 1 A 27 27 THR H H 38 9.090 8.374 0.716 1
1 358 . 1 1 1 A 27 27 THR HA H 38 4.430 4.759 -0.329 1
1 363 . 1 1 1 A 27 27 THR C C 38 174.800 173.067 1.733 1
1 364 . 1 1 1 A 27 27 THR CA C 38 61.600 61.474 0.126 1
1 365 . 1 1 1 A 27 27 THR CB C 38 69.400 69.008 0.392 1
1 367 . 1 1 1 A 27 27 THR N N 38 114.000 115.669 -1.669 1
1 368 . 1 1 1 A 28 28 ASN H H 39 7.880 8.520 -0.640 1
1 369 . 1 1 1 A 28 28 ASN HA H 39 4.780 4.920 -0.140 1
1 374 . 1 1 1 A 28 28 ASN C C 39 173.700 175.145 -1.445 1
1 375 . 1 1 1 A 28 28 ASN CA C 39 54.100 54.544 -0.444 1
1 376 . 1 1 1 A 28 28 ASN CB C 39 40.800 39.340 1.460 1
1 378 . 1 1 1 A 28 28 ASN N N 39 118.900 124.622 -5.722 1
1 380 . 1 1 1 A 29 29 GLU H H 40 8.150 8.219 -0.069 1
1 381 . 1 1 1 A 29 29 GLU HA H 40 4.560 3.872 0.688 1
1 386 . 1 1 1 A 29 29 GLU C C 40 174.800 175.616 -0.816 1
1 387 . 1 1 1 A 29 29 GLU CA C 40 55.600 57.194 -1.594 1
1 388 . 1 1 1 A 29 29 GLU CB C 40 30.500 28.061 2.439 1
1 390 . 1 1 1 A 29 29 GLU N N 40 121.700 119.184 2.516 1
1 391 . 1 1 1 A 30 30 GLU H H 41 8.410 7.773 0.637 1
1 392 . 1 1 1 A 30 30 GLU HA H 41 4.410 4.841 -0.431 1
1 397 . 1 1 1 A 30 30 GLU C C 41 175.100 174.994 0.106 1
1 398 . 1 1 1 A 30 30 GLU CA C 41 55.400 54.833 0.567 1
1 399 . 1 1 1 A 30 30 GLU CB C 41 32.200 33.014 -0.814 1
1 401 . 1 1 1 A 30 30 GLU N N 41 120.500 122.662 -2.162 1
1 402 . 1 1 1 A 31 31 PHE H H 42 8.570 9.206 -0.636 1
1 403 . 1 1 1 A 31 31 PHE HA H 42 4.820 5.050 -0.230 1
1 411 . 1 1 1 A 31 31 PHE C C 42 174.800 175.317 -0.517 1
1 412 . 1 1 1 A 31 31 PHE CA C 42 57.800 57.715 0.085 1
1 413 . 1 1 1 A 31 31 PHE CB C 42 40.200 40.421 -0.221 1
1 419 . 1 1 1 A 31 31 PHE N N 42 120.700 123.537 -2.837 1
1 420 . 1 1 1 A 32 32 ASN H H 43 8.350 8.687 -0.337 1
1 421 . 1 1 1 A 32 32 ASN HA H 43 4.950 5.222 -0.272 1
1 426 . 1 1 1 A 32 32 ASN CA C 43 51.600 50.658 0.942 1
1 427 . 1 1 1 A 32 32 ASN CB C 43 39.300 38.896 0.404 1
1 429 . 1 1 1 A 32 32 ASN N N 43 122.000 123.047 -1.047 1
1 431 . 1 1 1 A 33 33 PRO HA H 44 4.260 4.336 -0.076 1
1 438 . 1 1 1 A 33 33 PRO C C 44 177.400 177.768 -0.368 1
1 439 . 1 1 1 A 33 33 PRO CA C 44 65.300 65.717 -0.417 1
1 440 . 1 1 1 A 33 33 PRO CB C 44 32.200 31.780 0.420 1
1 443 . 1 1 1 A 34 34 ILE H H 45 7.840 7.918 -0.078 1
1 444 . 1 1 1 A 34 34 ILE HA H 45 4.240 3.944 0.296 1
1 454 . 1 1 1 A 34 34 ILE C C 45 176.400 175.857 0.543 1
1 455 . 1 1 1 A 34 34 ILE CA C 45 61.000 63.206 -2.206 1
1 456 . 1 1 1 A 34 34 ILE CB C 45 38.600 38.766 -0.166 1
1 460 . 1 1 1 A 34 34 ILE N N 45 113.700 116.620 -2.920 1
1 461 . 1 1 1 A 35 35 GLY H H 46 7.860 7.363 0.497 1
1 462 . 1 1 1 A 35 35 GLY HA2 H 46 3.870 4.128 -0.258 1
1 463 . 1 1 1 A 35 35 GLY HA3 H 46 4.130 4.167 -0.037 1
1 464 . 1 1 1 A 35 35 GLY C C 46 172.700 172.184 0.516 1
1 465 . 1 1 1 A 35 35 GLY CA C 46 45.900 46.169 -0.269 1
1 466 . 1 1 1 A 35 35 GLY N N 46 111.900 109.054 2.846 1
1 467 . 1 1 1 A 36 36 ILE H H 47 8.180 8.529 -0.349 1
1 468 . 1 1 1 A 36 36 ILE HA H 47 4.720 4.943 -0.223 1
1 478 . 1 1 1 A 36 36 ILE C C 47 174.900 174.353 0.547 1
1 479 . 1 1 1 A 36 36 ILE CA C 47 60.500 58.497 2.003 1
1 480 . 1 1 1 A 36 36 ILE CB C 47 40.800 41.914 -1.114 1
1 484 . 1 1 1 A 36 36 ILE N N 47 118.300 121.641 -3.341 1
1 485 . 1 1 1 A 37 37 SER H H 48 8.430 8.852 -0.422 1
1 486 . 1 1 1 A 37 37 SER HA H 48 4.990 5.371 -0.381 1
1 489 . 1 1 1 A 37 37 SER C C 48 172.900 173.301 -0.401 1
1 490 . 1 1 1 A 37 37 SER CA C 48 57.800 56.782 1.018 1
1 491 . 1 1 1 A 37 37 SER CB C 48 65.600 65.741 -0.141 1
1 492 . 1 1 1 A 37 37 SER N N 48 116.700 116.851 -0.151 1
1 493 . 1 1 1 A 38 38 ILE H H 49 9.150 9.370 -0.220 1
1 494 . 1 1 1 A 38 38 ILE HA H 49 4.720 4.908 -0.188 1
1 504 . 1 1 1 A 38 38 ILE C C 49 173.900 174.110 -0.210 1
1 505 . 1 1 1 A 38 38 ILE CA C 49 60.600 59.852 0.748 1
1 506 . 1 1 1 A 38 38 ILE CB C 49 41.000 41.111 -0.111 1
1 510 . 1 1 1 A 38 38 ILE N N 49 124.300 126.111 -1.811 1
1 511 . 1 1 1 A 39 39 ASP H H 50 8.700 9.104 -0.404 1
1 512 . 1 1 1 A 39 39 ASP HA H 50 5.540 5.676 -0.136 1
1 515 . 1 1 1 A 39 39 ASP C C 50 176.200 174.781 1.419 1
1 516 . 1 1 1 A 39 39 ASP CA C 50 52.300 52.252 0.048 1
1 517 . 1 1 1 A 39 39 ASP CB C 50 44.300 44.712 -0.412 1
1 518 . 1 1 1 A 39 39 ASP N N 50 126.600 127.725 -1.125 1
1 519 . 1 1 1 A 40 40 GLY H H 51 7.100 7.233 -0.133 1
1 520 . 1 1 1 A 40 40 GLY HA2 H 51 3.780 3.811 -0.031 1
1 521 . 1 1 1 A 40 40 GLY HA3 H 51 4.070 4.003 0.067 1
1 522 . 1 1 1 A 40 40 GLY C C 51 170.100 171.344 -1.244 1
1 523 . 1 1 1 A 40 40 GLY CA C 51 47.200 45.742 1.458 1
1 524 . 1 1 1 A 40 40 GLY N N 51 106.400 109.421 -3.021 1
1 525 . 1 1 1 A 41 41 TYR H H 52 8.390 8.138 0.252 1
1 526 . 1 1 1 A 41 41 TYR HA H 52 5.530 6.060 -0.530 1
1 533 . 1 1 1 A 41 41 TYR C C 52 175.200 173.376 1.824 1
1 534 . 1 1 1 A 41 41 TYR CA C 52 56.000 55.989 0.011 1
1 535 . 1 1 1 A 41 41 TYR CB C 52 39.200 42.168 -2.968 1
1 540 . 1 1 1 A 41 41 TYR N N 52 113.900 115.222 -1.322 1
1 541 . 1 1 1 A 42 42 ILE H H 53 8.420 8.494 -0.074 1
1 542 . 1 1 1 A 42 42 ILE HA H 53 5.450 5.066 0.384 1
1 552 . 1 1 1 A 42 42 ILE C C 53 174.500 175.236 -0.736 1
1 553 . 1 1 1 A 42 42 ILE CA C 53 59.300 59.574 -0.274 1
1 554 . 1 1 1 A 42 42 ILE CB C 53 40.700 41.172 -0.472 1
1 558 . 1 1 1 A 42 42 ILE N N 53 113.200 117.290 -4.090 1
1 559 . 1 1 1 A 43 43 ASN H H 54 8.760 9.117 -0.357 1
1 560 . 1 1 1 A 43 43 ASN HA H 54 4.120 4.396 -0.276 1
1 565 . 1 1 1 A 43 43 ASN C C 54 173.900 174.532 -0.632 1
1 566 . 1 1 1 A 43 43 ASN CA C 54 53.300 54.628 -1.328 1
1 567 . 1 1 1 A 43 43 ASN CB C 54 35.500 37.034 -1.534 1
1 569 . 1 1 1 A 43 43 ASN N N 54 116.700 118.971 -2.271 1
1 571 . 1 1 1 A 44 44 ASN H H 55 9.270 8.668 0.602 1
1 572 . 1 1 1 A 44 44 ASN HA H 55 4.260 4.422 -0.162 1
1 577 . 1 1 1 A 44 44 ASN C C 55 173.600 173.053 0.547 1
1 578 . 1 1 1 A 44 44 ASN CA C 55 54.800 54.738 0.062 1
1 579 . 1 1 1 A 44 44 ASN CB C 55 38.100 37.477 0.623 1
1 581 . 1 1 1 A 44 44 ASN N N 55 110.300 108.680 1.620 1
1 583 . 1 1 1 A 45 45 ASP H H 56 8.100 8.036 0.064 1
1 584 . 1 1 1 A 45 45 ASP HA H 56 4.760 4.785 -0.025 1
1 587 . 1 1 1 A 45 45 ASP C C 56 175.900 176.303 -0.403 1
1 588 . 1 1 1 A 45 45 ASP CA C 56 52.600 52.851 -0.251 1
1 589 . 1 1 1 A 45 45 ASP CB C 56 42.000 41.305 0.695 1
1 590 . 1 1 1 A 45 45 ASP N N 56 119.500 119.078 0.422 1
1 591 . 1 1 1 A 46 46 LYS H H 57 8.260 8.603 -0.343 1
1 592 . 1 1 1 A 46 46 LYS HA H 57 2.760 3.585 -0.825 1
1 601 . 1 1 1 A 46 46 LYS C C 57 177.100 178.445 -1.345 1
1 602 . 1 1 1 A 46 46 LYS CA C 57 58.400 59.320 -0.920 1
1 603 . 1 1 1 A 46 46 LYS CB C 57 31.700 31.991 -0.291 1
1 607 . 1 1 1 A 46 46 LYS N N 57 124.100 125.345 -1.245 1
1 608 . 1 1 1 A 47 47 ASN H H 58 8.610 7.843 0.767 1
1 609 . 1 1 1 A 47 47 ASN HA H 58 4.620 4.532 0.088 1
1 614 . 1 1 1 A 47 47 ASN C C 58 177.000 176.811 0.189 1
1 615 . 1 1 1 A 47 47 ASN CA C 58 54.400 56.354 -1.954 1
1 616 . 1 1 1 A 47 47 ASN CB C 58 38.500 38.552 -0.052 1
1 618 . 1 1 1 A 47 47 ASN N N 58 114.800 117.227 -2.427 1
1 620 . 1 1 1 A 48 48 LEU H H 59 8.470 7.517 0.953 1
1 621 . 1 1 1 A 48 48 LEU HA H 59 4.470 4.555 -0.085 1
1 631 . 1 1 1 A 48 48 LEU C C 59 175.300 175.670 -0.370 1
1 632 . 1 1 1 A 48 48 LEU CA C 59 52.800 54.340 -1.540 1
1 633 . 1 1 1 A 48 48 LEU CB C 59 39.100 40.202 -1.102 1
1 637 . 1 1 1 A 48 48 LEU N N 59 125.800 120.478 5.322 1
1 638 . 1 1 1 A 49 49 SER H H 60 7.270 8.798 -1.528 1
1 639 . 1 1 1 A 49 49 SER HA H 60 5.230 5.797 -0.567 1
1 642 . 1 1 1 A 49 49 SER C C 60 173.200 173.820 -0.620 1
1 643 . 1 1 1 A 49 49 SER CA C 60 56.900 57.493 -0.593 1
1 644 . 1 1 1 A 49 49 SER CB C 60 66.500 65.430 1.070 1
1 645 . 1 1 1 A 49 49 SER N N 60 112.400 122.601 -10.201 1
1 646 . 1 1 1 A 50 50 PHE H H 61 8.260 8.939 -0.679 1
1 647 . 1 1 1 A 50 50 PHE HA H 61 5.490 5.519 -0.029 1
1 655 . 1 1 1 A 50 50 PHE C C 61 174.500 173.284 1.216 1
1 656 . 1 1 1 A 50 50 PHE CA C 61 56.300 55.653 0.647 1
1 657 . 1 1 1 A 50 50 PHE CB C 61 44.600 43.242 1.358 1
1 663 . 1 1 1 A 50 50 PHE N N 61 114.200 119.637 -5.437 1
1 664 . 1 1 1 A 51 51 THR H H 62 8.520 8.869 -0.349 1
1 665 . 1 1 1 A 51 51 THR HA H 62 5.140 5.294 -0.154 1
1 670 . 1 1 1 A 51 51 THR C C 62 172.600 173.036 -0.436 1
1 671 . 1 1 1 A 51 51 THR CA C 62 62.000 60.808 1.192 1
1 672 . 1 1 1 A 51 51 THR CB C 62 72.000 71.766 0.234 1
1 674 . 1 1 1 A 51 51 THR N N 62 116.000 114.945 1.055 1
1 675 . 1 1 1 A 52 52 ALA H H 63 9.870 8.803 1.067 1
1 676 . 1 1 1 A 52 52 ALA HA H 63 5.180 5.023 0.157 1
1 680 . 1 1 1 A 52 52 ALA C C 63 176.300 176.559 -0.259 1
1 681 . 1 1 1 A 52 52 ALA CA C 63 50.300 51.527 -1.227 1
1 682 . 1 1 1 A 52 52 ALA CB C 63 24.000 23.604 0.396 1
1 683 . 1 1 1 A 52 52 ALA N N 63 130.400 125.985 4.415 1
1 684 . 1 1 1 A 53 53 GLY H H 64 8.340 8.654 -0.314 1
1 685 . 1 1 1 A 53 53 GLY HA2 H 64 3.630 4.137 -0.507 1
1 686 . 1 1 1 A 53 53 GLY HA3 H 64 4.830 4.140 0.690 1
1 687 . 1 1 1 A 53 53 GLY C C 64 173.200 173.215 -0.015 1
1 688 . 1 1 1 A 53 53 GLY CA C 64 43.200 44.484 -1.284 1
1 689 . 1 1 1 A 53 53 GLY N N 64 107.100 107.414 -0.314 1
1 690 . 1 1 1 A 54 54 LYS H H 65 8.430 8.320 0.110 1
1 691 . 1 1 1 A 54 54 LYS HA H 65 3.750 4.150 -0.400 1
1 700 . 1 1 1 A 54 54 LYS CA C 65 58.300 56.868 1.432 1
1 701 . 1 1 1 A 54 54 LYS CB C 65 32.600 32.360 0.240 1
1 705 . 1 1 1 A 54 54 LYS N N 65 119.300 122.319 -3.019 1
1 708 . 1 1 1 A 55 55 ASP C C 66 172.900 176.169 -3.269 1
1 709 . 1 1 1 A 56 56 VAL H H 67 8.510 8.446 0.064 1
1 710 . 1 1 1 A 56 56 VAL HA H 67 3.100 4.395 -1.295 1
1 718 . 1 1 1 A 56 56 VAL C C 67 176.400 176.299 0.101 1
1 719 . 1 1 1 A 56 56 VAL CA C 67 62.800 62.064 0.736 1
1 720 . 1 1 1 A 56 56 VAL CB C 67 30.400 31.273 -0.873 1
1 723 . 1 1 1 A 56 56 VAL N N 67 112.700 121.995 -9.295 1
1 724 . 1 1 1 A 57 57 LYS H H 68 7.580 7.639 -0.059 1
1 725 . 1 1 1 A 57 57 LYS HA H 68 4.000 4.173 -0.173 1
1 734 . 1 1 1 A 57 57 LYS C C 68 176.700 176.814 -0.114 1
1 735 . 1 1 1 A 57 57 LYS CA C 68 58.400 58.712 -0.312 1
1 736 . 1 1 1 A 57 57 LYS CB C 68 32.100 32.763 -0.663 1
1 740 . 1 1 1 A 57 57 LYS N N 68 118.700 122.373 -3.673 1
1 741 . 1 1 1 A 58 58 ILE H H 69 7.160 8.002 -0.842 1
1 742 . 1 1 1 A 58 58 ILE HA H 69 4.270 4.663 -0.393 1
1 752 . 1 1 1 A 58 58 ILE C C 69 174.300 174.461 -0.161 1
1 753 . 1 1 1 A 58 58 ILE CA C 69 59.900 60.332 -0.432 1
1 754 . 1 1 1 A 58 58 ILE CB C 69 41.000 40.066 0.934 1
1 758 . 1 1 1 A 58 58 ILE N N 69 115.700 119.362 -3.662 1
1 759 . 1 1 1 A 59 59 PHE H H 70 8.560 8.915 -0.355 1
1 760 . 1 1 1 A 59 59 PHE HA H 70 4.890 5.331 -0.441 1
1 765 . 1 1 1 A 59 59 PHE C C 70 173.500 173.547 -0.047 1
1 766 . 1 1 1 A 59 59 PHE CA C 70 58.700 56.568 2.132 1
1 767 . 1 1 1 A 59 59 PHE CB C 70 42.400 42.731 -0.331 1
1 770 . 1 1 1 A 59 59 PHE N N 70 127.500 128.656 -1.156 1
1 771 . 1 1 1 A 60 60 SER H H 71 8.430 8.391 0.039 1
1 772 . 1 1 1 A 60 60 SER HA H 71 4.850 5.156 -0.306 1
1 775 . 1 1 1 A 60 60 SER C C 71 172.100 171.941 0.159 1
1 776 . 1 1 1 A 60 60 SER CA C 71 56.900 56.466 0.434 1
1 777 . 1 1 1 A 60 60 SER CB C 71 65.000 65.507 -0.507 1
1 778 . 1 1 1 A 60 60 SER N N 71 124.200 123.223 0.977 1
1 779 . 1 1 1 A 61 61 SER H H 72 8.630 8.758 -0.128 1
1 780 . 1 1 1 A 61 61 SER HA H 72 5.380 4.905 0.475 1
1 783 . 1 1 1 A 61 61 SER C C 72 174.700 173.229 1.471 1
1 784 . 1 1 1 A 61 61 SER CA C 72 57.400 57.166 0.234 1
1 785 . 1 1 1 A 61 61 SER CB C 72 68.200 66.144 2.056 1
1 786 . 1 1 1 A 61 61 SER N N 72 116.900 118.765 -1.865 1
1 787 . 1 1 1 A 62 62 SER H H 73 8.810 8.485 0.325 1
1 788 . 1 1 1 A 62 62 SER HA H 73 4.570 4.559 0.011 1
1 792 . 1 1 1 A 62 62 SER C C 73 175.000 176.028 -1.028 1
1 793 . 1 1 1 A 62 62 SER CA C 73 57.600 57.560 0.040 1
1 794 . 1 1 1 A 62 62 SER CB C 73 65.400 65.164 0.236 1
1 795 . 1 1 1 A 62 62 SER N N 73 117.000 116.521 0.479 1
1 796 . 1 1 1 A 63 63 GLU H H 74 9.240 9.059 0.181 1
1 797 . 1 1 1 A 63 63 GLU HA H 74 4.140 4.061 0.079 1
1 802 . 1 1 1 A 63 63 GLU C C 74 179.000 178.803 0.197 1
1 803 . 1 1 1 A 63 63 GLU CA C 74 60.100 59.372 0.728 1
1 804 . 1 1 1 A 63 63 GLU CB C 74 29.600 29.168 0.432 1
1 806 . 1 1 1 A 63 63 GLU N N 74 123.600 120.564 3.036 1
1 807 . 1 1 1 A 64 64 GLU H H 75 8.970 8.113 0.857 1
1 808 . 1 1 1 A 64 64 GLU HA H 75 3.950 4.083 -0.133 1
1 813 . 1 1 1 A 64 64 GLU C C 75 179.000 178.600 0.400 1
1 814 . 1 1 1 A 64 64 GLU CA C 75 60.100 59.174 0.926 1
1 815 . 1 1 1 A 64 64 GLU CB C 75 29.500 29.488 0.012 1
1 817 . 1 1 1 A 64 64 GLU N N 75 117.000 119.805 -2.805 1
1 818 . 1 1 1 A 65 65 LEU H H 76 7.740 7.671 0.069 1
1 819 . 1 1 1 A 65 65 LEU HA H 76 4.330 4.380 -0.050 1
1 829 . 1 1 1 A 65 65 LEU C C 76 178.900 178.266 0.634 1
1 830 . 1 1 1 A 65 65 LEU CA C 76 57.500 56.797 0.703 1
1 831 . 1 1 1 A 65 65 LEU CB C 76 41.800 42.652 -0.852 1
1 835 . 1 1 1 A 65 65 LEU N N 76 119.900 121.646 -1.746 1
1 836 . 1 1 1 A 66 66 ASP H H 77 8.620 8.317 0.303 1
1 837 . 1 1 1 A 66 66 ASP HA H 77 4.580 4.327 0.253 1
1 840 . 1 1 1 A 66 66 ASP C C 77 178.800 178.462 0.338 1
1 841 . 1 1 1 A 66 66 ASP CA C 77 58.300 58.069 0.231 1
1 842 . 1 1 1 A 66 66 ASP CB C 77 42.100 41.227 0.873 1
1 843 . 1 1 1 A 66 66 ASP N N 77 120.300 119.541 0.759 1
1 844 . 1 1 1 A 67 67 LYS H H 78 7.210 8.036 -0.826 1
1 845 . 1 1 1 A 67 67 LYS HA H 78 4.240 4.139 0.101 1
1 854 . 1 1 1 A 67 67 LYS C C 78 177.400 178.601 -1.201 1
1 855 . 1 1 1 A 67 67 LYS CA C 78 58.000 58.974 -0.974 1
1 856 . 1 1 1 A 67 67 LYS CB C 78 33.000 31.655 1.345 1
1 860 . 1 1 1 A 67 67 LYS N N 78 113.200 117.948 -4.748 1
1 861 . 1 1 1 A 68 68 MET H H 79 8.210 8.224 -0.014 1
1 862 . 1 1 1 A 68 68 MET HA H 79 4.270 4.259 0.011 1
1 870 . 1 1 1 A 68 68 MET C C 79 176.800 177.260 -0.460 1
1 871 . 1 1 1 A 68 68 MET CA C 79 56.800 58.463 -1.663 1
1 872 . 1 1 1 A 68 68 MET CB C 79 33.900 32.666 1.234 1
1 875 . 1 1 1 A 68 68 MET N N 79 116.400 117.929 -1.529 1
1 876 . 1 1 1 A 69 69 PHE H H 80 7.330 7.861 -0.531 1
1 877 . 1 1 1 A 69 69 PHE HA H 80 4.300 4.505 -0.205 1
1 882 . 1 1 1 A 69 69 PHE C C 80 176.900 175.560 1.340 1
1 883 . 1 1 1 A 69 69 PHE CA C 80 59.300 59.587 -0.287 1
1 884 . 1 1 1 A 69 69 PHE CB C 80 40.600 39.562 1.038 1
1 887 . 1 1 1 A 69 69 PHE N N 80 118.100 118.263 -0.163 1
1 888 . 1 1 1 A 70 70 GLN H H 81 8.540 8.859 -0.319 1
1 889 . 1 1 1 A 70 70 GLN HA H 81 4.450 4.718 -0.268 1
1 896 . 1 1 1 A 70 70 GLN C C 81 174.200 175.634 -1.434 1
1 897 . 1 1 1 A 70 70 GLN CA C 81 55.000 56.162 -1.162 1
1 898 . 1 1 1 A 70 70 GLN CB C 81 29.400 30.835 -1.435 1
1 901 . 1 1 1 A 70 70 GLN N N 81 121.600 122.081 -0.481 1
1 903 . 1 1 1 A 71 71 GLU H H 82 8.340 7.855 0.485 1
1 904 . 1 1 1 A 71 71 GLU HA H 82 4.780 4.770 0.010 1
1 909 . 1 1 1 A 71 71 GLU CA C 82 53.100 53.171 -0.071 1
1 910 . 1 1 1 A 71 71 GLU CB C 82 30.600 30.940 -0.340 1
1 912 . 1 1 1 A 71 71 GLU N N 82 122.900 118.469 4.431 1
1 913 . 1 1 1 A 72 72 PRO HA H 83 4.880 4.547 0.333 1
1 920 . 1 1 1 A 72 72 PRO C C 83 176.200 176.751 -0.551 1
1 921 . 1 1 1 A 72 72 PRO CA C 83 62.100 62.564 -0.464 1
1 922 . 1 1 1 A 72 72 PRO CB C 83 33.800 31.956 1.844 1
1 925 . 1 1 1 A 73 73 ARG H H 84 8.580 8.510 0.070 1
1 926 . 1 1 1 A 73 73 ARG HA H 84 4.390 5.024 -0.634 1
1 934 . 1 1 1 A 73 73 ARG C C 84 176.000 176.666 -0.666 1
1 935 . 1 1 1 A 73 73 ARG CA C 84 56.000 56.792 -0.792 1
1 936 . 1 1 1 A 73 73 ARG CB C 84 31.100 31.130 -0.030 1
1 940 . 1 1 1 A 73 73 ARG N N 84 123.400 122.735 0.665 1
1 942 . 1 1 1 A 74 74 LYS H H 85 9.080 9.118 -0.038 1
1 943 . 1 1 1 A 74 74 LYS HA H 85 4.540 5.031 -0.491 1
1 952 . 1 1 1 A 74 74 LYS C C 85 176.500 176.412 0.088 1
1 953 . 1 1 1 A 74 74 LYS CA C 85 55.000 54.652 0.348 1
1 954 . 1 1 1 A 74 74 LYS CB C 85 34.900 36.776 -1.876 1
1 958 . 1 1 1 A 74 74 LYS N N 85 123.300 122.349 0.951 1
1 959 . 1 1 1 A 75 75 GLY H H 86 8.870 8.632 0.238 1
1 960 . 1 1 1 A 75 75 GLY HA2 H 86 3.930 4.127 -0.197 1
1 961 . 1 1 1 A 75 75 GLY HA3 H 86 4.350 4.145 0.205 1
1 962 . 1 1 1 A 75 75 GLY C C 86 174.000 175.125 -1.125 1
1 963 . 1 1 1 A 75 75 GLY CA C 86 44.600 45.237 -0.637 1
1 964 . 1 1 1 A 75 75 GLY N N 86 108.700 110.022 -1.322 1
1 965 . 1 1 1 A 76 76 TYR H H 87 8.880 9.195 -0.315 1
1 966 . 1 1 1 A 76 76 TYR HA H 87 3.930 4.106 -0.176 1
1 973 . 1 1 1 A 76 76 TYR C C 87 175.800 177.352 -1.552 1
1 974 . 1 1 1 A 76 76 TYR CA C 87 62.900 61.427 1.473 1
1 975 . 1 1 1 A 76 76 TYR CB C 87 38.700 38.919 -0.219 1
1 980 . 1 1 1 A 76 76 TYR N N 87 120.400 121.652 -1.252 1
1 981 . 1 1 1 A 77 77 ASP H H 88 8.450 8.627 -0.177 1
1 982 . 1 1 1 A 77 77 ASP HA H 88 4.000 4.113 -0.113 1
1 985 . 1 1 1 A 77 77 ASP C C 88 178.200 178.065 0.135 1
1 986 . 1 1 1 A 77 77 ASP CA C 88 57.000 57.935 -0.935 1
1 987 . 1 1 1 A 77 77 ASP CB C 88 39.600 41.148 -1.548 1
1 988 . 1 1 1 A 77 77 ASP N N 88 115.800 119.511 -3.711 1
1 989 . 1 1 1 A 78 78 GLU H H 89 7.520 8.301 -0.781 1
1 990 . 1 1 1 A 78 78 GLU HA H 89 4.020 4.011 0.009 1
1 995 . 1 1 1 A 78 78 GLU C C 89 178.500 178.852 -0.352 1
1 996 . 1 1 1 A 78 78 GLU CA C 89 58.500 58.979 -0.479 1
1 997 . 1 1 1 A 78 78 GLU CB C 89 30.100 29.573 0.527 1
1 999 . 1 1 1 A 78 78 GLU N N 89 119.600 119.097 0.503 1
1 1000 . 1 1 1 A 79 79 ILE H H 90 7.850 7.577 0.273 1
1 1001 . 1 1 1 A 79 79 ILE HA H 90 3.300 3.707 -0.407 1
1 1011 . 1 1 1 A 79 79 ILE C C 90 177.700 177.822 -0.122 1
1 1012 . 1 1 1 A 79 79 ILE CA C 90 64.600 64.345 0.255 1
1 1013 . 1 1 1 A 79 79 ILE CB C 90 37.700 37.206 0.494 1
1 1017 . 1 1 1 A 79 79 ILE N N 90 121.700 119.982 1.718 1
1 1018 . 1 1 1 A 80 80 LEU H H 91 7.710 7.801 -0.091 1
1 1019 . 1 1 1 A 80 80 LEU HA H 91 3.780 3.855 -0.075 1
1 1029 . 1 1 1 A 80 80 LEU C C 91 178.600 178.573 0.027 1
1 1030 . 1 1 1 A 80 80 LEU CA C 91 56.900 58.486 -1.586 1
1 1031 . 1 1 1 A 80 80 LEU CB C 91 41.600 41.467 0.133 1
1 1035 . 1 1 1 A 80 80 LEU N N 91 120.500 123.827 -3.327 1
1 1036 . 1 1 1 A 81 81 GLU H H 92 7.620 7.926 -0.306 1
1 1037 . 1 1 1 A 81 81 GLU HA H 92 3.960 4.005 -0.045 1
1 1042 . 1 1 1 A 81 81 GLU C C 92 177.400 176.928 0.472 1
1 1043 . 1 1 1 A 81 81 GLU CA C 92 58.300 59.379 -1.079 1
1 1044 . 1 1 1 A 81 81 GLU CB C 92 29.700 29.462 0.238 1
1 1046 . 1 1 1 A 81 81 GLU N N 92 118.100 118.586 -0.486 1
1 1047 . 1 1 1 A 82 82 HIS H H 93 7.840 8.106 -0.266 1
1 1048 . 1 1 1 A 82 82 HIS HA H 93 4.440 4.161 0.279 1
1 1051 . 1 1 1 A 82 82 HIS C C 93 175.600 174.504 1.096 1
1 1052 . 1 1 1 A 82 82 HIS CA C 93 57.000 57.032 -0.032 1
1 1053 . 1 1 1 A 82 82 HIS CB C 93 29.800 28.370 1.430 1
1 1054 . 1 1 1 A 82 82 HIS N N 93 116.900 117.601 -0.701 1
1 1055 . 1 1 1 A 83 83 HIS H H 94 8.080 8.666 -0.586 1
1 1056 . 1 1 1 A 83 83 HIS HA H 94 4.480 4.137 0.343 1
1 1059 . 1 1 1 A 83 83 HIS CA C 94 56.700 57.094 -0.394 1
1 1060 . 1 1 1 A 83 83 HIS CB C 94 29.900 28.875 1.025 1
1 1 . 2 1 1 A 2 2 PHE HA H 13 4.400 4.327 0.073 1
1 9 . 2 1 1 A 2 2 PHE C C 13 176.400 177.308 -0.908 1
1 10 . 2 1 1 A 2 2 PHE CA C 13 60.700 60.694 0.006 1
1 11 . 2 1 1 A 2 2 PHE CB C 13 39.700 39.414 0.286 1
1 17 . 2 1 1 A 3 3 PHE H H 14 9.000 8.060 0.940 1
1 18 . 2 1 1 A 3 3 PHE HA H 14 4.000 4.012 -0.012 1
1 25 . 2 1 1 A 3 3 PHE C C 14 177.400 178.129 -0.729 1
1 26 . 2 1 1 A 3 3 PHE CA C 14 61.400 62.060 -0.660 1
1 27 . 2 1 1 A 3 3 PHE CB C 14 38.400 38.364 0.036 1
1 32 . 2 1 1 A 3 3 PHE N N 14 118.700 116.874 1.826 1
1 33 . 2 1 1 A 4 4 ASN H H 15 8.000 7.874 0.126 1
1 34 . 2 1 1 A 4 4 ASN HA H 15 4.250 4.125 0.125 1
1 39 . 2 1 1 A 4 4 ASN C C 15 177.300 178.510 -1.210 1
1 40 . 2 1 1 A 4 4 ASN CA C 15 56.400 56.430 -0.030 1
1 41 . 2 1 1 A 4 4 ASN CB C 15 38.000 37.808 0.192 1
1 43 . 2 1 1 A 4 4 ASN N N 15 118.300 117.036 1.264 1
1 45 . 2 1 1 A 5 5 GLU H H 16 8.080 7.840 0.240 1
1 46 . 2 1 1 A 5 5 GLU HA H 16 3.970 3.909 0.061 1
1 51 . 2 1 1 A 5 5 GLU C C 16 179.600 179.594 0.006 1
1 52 . 2 1 1 A 5 5 GLU CA C 16 59.200 58.885 0.315 1
1 53 . 2 1 1 A 5 5 GLU CB C 16 29.400 28.929 0.471 1
1 55 . 2 1 1 A 5 5 GLU N N 16 120.400 120.214 0.186 1
1 56 . 2 1 1 A 6 6 GLN H H 17 7.930 7.203 0.727 1
1 57 . 2 1 1 A 6 6 GLN HA H 17 3.560 3.742 -0.182 1
1 64 . 2 1 1 A 6 6 GLN CA C 17 58.600 58.562 0.038 1
1 65 . 2 1 1 A 6 6 GLN CB C 17 28.100 28.076 0.024 1
1 68 . 2 1 1 A 6 6 GLN N N 17 117.900 119.404 -1.504 1
1 70 . 2 1 1 A 7 7 LYS H H 18 8.120 7.920 0.200 1
1 71 . 2 1 1 A 7 7 LYS HA H 18 3.350 3.644 -0.294 1
1 80 . 2 1 1 A 7 7 LYS C C 18 179.900 178.922 0.978 1
1 81 . 2 1 1 A 7 7 LYS CA C 18 60.600 59.318 1.282 1
1 82 . 2 1 1 A 7 7 LYS CB C 18 32.000 32.035 -0.035 1
1 86 . 2 1 1 A 7 7 LYS N N 18 118.800 118.596 0.204 1
1 87 . 2 1 1 A 8 8 GLU H H 19 7.740 7.829 -0.089 1
1 88 . 2 1 1 A 8 8 GLU HA H 19 4.040 4.064 -0.024 1
1 93 . 2 1 1 A 8 8 GLU C C 19 179.000 179.274 -0.274 1
1 94 . 2 1 1 A 8 8 GLU CA C 19 59.800 58.935 0.865 1
1 95 . 2 1 1 A 8 8 GLU CB C 19 29.100 29.247 -0.147 1
1 97 . 2 1 1 A 8 8 GLU N N 19 121.300 119.242 2.058 1
1 98 . 2 1 1 A 9 9 LYS H H 20 7.500 7.381 0.119 1
1 99 . 2 1 1 A 9 9 LYS HA H 20 3.950 4.166 -0.216 1
1 108 . 2 1 1 A 9 9 LYS C C 20 178.100 179.558 -1.458 1
1 109 . 2 1 1 A 9 9 LYS CA C 20 60.500 59.516 0.984 1
1 110 . 2 1 1 A 9 9 LYS CB C 20 32.200 32.160 0.040 1
1 114 . 2 1 1 A 9 9 LYS N N 20 120.100 119.568 0.532 1
1 115 . 2 1 1 A 10 10 VAL H H 21 8.030 7.680 0.350 1
1 116 . 2 1 1 A 10 10 VAL HA H 21 3.410 3.686 -0.276 1
1 124 . 2 1 1 A 10 10 VAL C C 21 177.400 178.208 -0.808 1
1 125 . 2 1 1 A 10 10 VAL CA C 21 66.600 66.234 0.366 1
1 126 . 2 1 1 A 10 10 VAL CB C 21 31.800 31.795 0.005 1
1 129 . 2 1 1 A 10 10 VAL N N 21 117.300 119.612 -2.312 1
1 130 . 2 1 1 A 11 11 THR H H 22 8.230 8.094 0.136 1
1 131 . 2 1 1 A 11 11 THR HA H 22 3.580 4.016 -0.436 1
1 137 . 2 1 1 A 11 11 THR C C 22 174.700 176.239 -1.539 1
1 138 . 2 1 1 A 11 11 THR CA C 22 68.700 67.005 1.695 1
1 139 . 2 1 1 A 11 11 THR CB C 22 68.500 68.492 0.008 1
1 141 . 2 1 1 A 11 11 THR N N 22 115.700 117.560 -1.860 1
1 142 . 2 1 1 A 12 12 LEU H H 23 7.780 8.315 -0.535 1
1 143 . 2 1 1 A 12 12 LEU HA H 23 3.930 3.777 0.153 1
1 153 . 2 1 1 A 12 12 LEU C C 23 178.400 178.317 0.083 1
1 154 . 2 1 1 A 12 12 LEU CA C 23 58.500 58.056 0.444 1
1 155 . 2 1 1 A 12 12 LEU CB C 23 42.300 41.635 0.665 1
1 159 . 2 1 1 A 12 12 LEU N N 23 121.400 121.277 0.123 1
1 160 . 2 1 1 A 13 13 TYR H H 24 7.970 8.709 -0.739 1
1 161 . 2 1 1 A 13 13 TYR HA H 24 3.910 4.164 -0.254 1
1 168 . 2 1 1 A 13 13 TYR C C 24 177.400 177.117 0.283 1
1 169 . 2 1 1 A 13 13 TYR CA C 24 61.700 61.580 0.120 1
1 170 . 2 1 1 A 13 13 TYR CB C 24 39.400 38.913 0.487 1
1 175 . 2 1 1 A 13 13 TYR N N 24 119.100 119.579 -0.479 1
1 176 . 2 1 1 A 14 14 LEU H H 25 8.230 8.798 -0.568 1
1 177 . 2 1 1 A 14 14 LEU HA H 25 3.400 3.831 -0.431 1
1 187 . 2 1 1 A 14 14 LEU C C 25 177.200 178.814 -1.614 1
1 188 . 2 1 1 A 14 14 LEU CA C 25 57.600 57.854 -0.254 1
1 189 . 2 1 1 A 14 14 LEU CB C 25 42.200 41.157 1.043 1
1 193 . 2 1 1 A 14 14 LEU N N 25 119.600 119.654 -0.054 1
1 194 . 2 1 1 A 15 15 LYS H H 26 8.010 8.217 -0.207 1
1 195 . 2 1 1 A 15 15 LYS HA H 26 3.230 3.395 -0.165 1
1 204 . 2 1 1 A 15 15 LYS C C 26 178.800 178.477 0.323 1
1 205 . 2 1 1 A 15 15 LYS CA C 26 59.000 58.699 0.301 1
1 206 . 2 1 1 A 15 15 LYS CB C 26 32.600 31.546 1.054 1
1 210 . 2 1 1 A 15 15 LYS N N 26 117.000 119.811 -2.811 1
1 211 . 2 1 1 A 16 16 HIS H H 27 7.890 7.376 0.514 1
1 212 . 2 1 1 A 16 16 HIS HA H 27 4.030 4.191 -0.161 1
1 217 . 2 1 1 A 16 16 HIS C C 27 175.900 177.676 -1.776 1
1 218 . 2 1 1 A 16 16 HIS CA C 27 59.000 60.114 -1.114 1
1 219 . 2 1 1 A 16 16 HIS CB C 27 30.900 30.374 0.526 1
1 222 . 2 1 1 A 16 16 HIS N N 27 113.200 117.428 -4.228 1
1 223 . 2 1 1 A 17 17 ASN H H 28 6.950 8.483 -1.533 1
1 224 . 2 1 1 A 17 17 ASN HA H 28 4.900 4.253 0.647 1
1 229 . 2 1 1 A 17 17 ASN C C 28 172.900 175.823 -2.923 1
1 230 . 2 1 1 A 17 17 ASN CA C 28 54.100 56.145 -2.045 1
1 231 . 2 1 1 A 17 17 ASN CB C 28 42.500 38.026 4.474 1
1 233 . 2 1 1 A 17 17 ASN N N 28 112.200 114.405 -2.205 1
1 235 . 2 1 1 A 18 18 ILE H H 29 7.310 8.771 -1.461 1
1 236 . 2 1 1 A 18 18 ILE HA H 29 4.560 4.412 0.148 1
1 246 . 2 1 1 A 18 18 ILE CA C 29 58.000 57.952 0.048 1
1 247 . 2 1 1 A 18 18 ILE CB C 29 38.000 38.784 -0.784 1
1 251 . 2 1 1 A 18 18 ILE N N 29 119.300 119.505 -0.205 1
1 252 . 2 1 1 A 19 19 PRO HA H 30 4.170 4.520 -0.350 1
1 259 . 2 1 1 A 19 19 PRO C C 30 178.000 177.143 0.857 1
1 260 . 2 1 1 A 19 19 PRO CA C 30 65.700 64.423 1.277 1
1 261 . 2 1 1 A 19 19 PRO CB C 30 32.100 31.793 0.307 1
1 264 . 2 1 1 A 20 20 ASP H H 31 8.470 8.367 0.103 1
1 265 . 2 1 1 A 20 20 ASP HA H 31 4.790 4.873 -0.083 1
1 268 . 2 1 1 A 20 20 ASP C C 31 175.600 175.874 -0.274 1
1 269 . 2 1 1 A 20 20 ASP CA C 31 53.800 53.812 -0.012 1
1 270 . 2 1 1 A 20 20 ASP CB C 31 39.600 40.978 -1.378 1
1 271 . 2 1 1 A 20 20 ASP N N 31 113.700 116.401 -2.701 1
1 272 . 2 1 1 A 21 21 PHE H H 32 7.890 7.393 0.497 1
1 273 . 2 1 1 A 21 21 PHE HA H 32 3.810 4.330 -0.520 1
1 281 . 2 1 1 A 21 21 PHE C C 32 174.200 174.748 -0.548 1
1 282 . 2 1 1 A 21 21 PHE CA C 32 61.100 59.737 1.363 1
1 283 . 2 1 1 A 21 21 PHE CB C 32 39.900 39.680 0.220 1
1 289 . 2 1 1 A 21 21 PHE N N 32 122.200 121.734 0.466 1
1 290 . 2 1 1 A 22 22 ASN H H 33 9.380 8.463 0.917 1
1 291 . 2 1 1 A 22 22 ASN HA H 33 4.680 4.979 -0.299 1
1 296 . 2 1 1 A 22 22 ASN C C 33 173.600 175.148 -1.548 1
1 297 . 2 1 1 A 22 22 ASN CA C 33 54.600 54.081 0.519 1
1 298 . 2 1 1 A 22 22 ASN CB C 33 41.700 40.690 1.010 1
1 300 . 2 1 1 A 22 22 ASN N N 33 126.600 123.088 3.512 1
1 302 . 2 1 1 A 23 23 THR H H 34 7.010 7.209 -0.199 1
1 303 . 2 1 1 A 23 23 THR HA H 34 4.280 4.587 -0.307 1
1 308 . 2 1 1 A 23 23 THR C C 34 171.100 171.400 -0.300 1
1 309 . 2 1 1 A 23 23 THR CA C 34 60.300 60.221 0.079 1
1 310 . 2 1 1 A 23 23 THR CB C 34 71.100 71.110 -0.010 1
1 312 . 2 1 1 A 23 23 THR N N 34 109.600 110.164 -0.564 1
1 313 . 2 1 1 A 24 24 VAL H H 35 8.290 8.802 -0.512 1
1 314 . 2 1 1 A 24 24 VAL HA H 35 4.850 4.737 0.113 1
1 322 . 2 1 1 A 24 24 VAL C C 35 171.400 173.520 -2.120 1
1 323 . 2 1 1 A 24 24 VAL CA C 35 59.300 60.204 -0.904 1
1 324 . 2 1 1 A 24 24 VAL CB C 35 35.500 35.738 -0.238 1
1 327 . 2 1 1 A 24 24 VAL N N 35 119.500 123.164 -3.664 1
1 328 . 2 1 1 A 25 25 THR H H 36 8.200 8.398 -0.198 1
1 329 . 2 1 1 A 25 25 THR HA H 36 4.150 4.847 -0.697 1
1 334 . 2 1 1 A 25 25 THR C C 36 171.900 173.210 -1.310 1
1 335 . 2 1 1 A 25 25 THR CA C 36 61.100 60.516 0.584 1
1 336 . 2 1 1 A 25 25 THR CB C 36 70.900 70.900 0.000 1
1 338 . 2 1 1 A 25 25 THR N N 36 125.200 123.018 2.182 1
1 339 . 2 1 1 A 26 26 PHE H H 37 8.900 8.926 -0.026 1
1 340 . 2 1 1 A 26 26 PHE HA H 37 5.140 5.032 0.108 1
1 348 . 2 1 1 A 26 26 PHE C C 37 176.900 175.093 1.807 1
1 349 . 2 1 1 A 26 26 PHE CA C 37 58.100 56.655 1.445 1
1 350 . 2 1 1 A 26 26 PHE CB C 37 39.900 40.433 -0.533 1
1 356 . 2 1 1 A 26 26 PHE N N 37 124.500 125.578 -1.078 1
1 357 . 2 1 1 A 27 27 THR H H 38 9.090 8.738 0.352 1
1 358 . 2 1 1 A 27 27 THR HA H 38 4.430 4.680 -0.250 1
1 363 . 2 1 1 A 27 27 THR C C 38 174.800 174.182 0.618 1
1 364 . 2 1 1 A 27 27 THR CA C 38 61.600 61.015 0.585 1
1 365 . 2 1 1 A 27 27 THR CB C 38 69.400 70.272 -0.872 1
1 367 . 2 1 1 A 27 27 THR N N 38 114.000 117.829 -3.829 1
1 368 . 2 1 1 A 28 28 ASN H H 39 7.880 8.051 -0.171 1
1 369 . 2 1 1 A 28 28 ASN HA H 39 4.780 5.056 -0.276 1
1 374 . 2 1 1 A 28 28 ASN C C 39 173.700 174.883 -1.183 1
1 375 . 2 1 1 A 28 28 ASN CA C 39 54.100 52.145 1.955 1
1 376 . 2 1 1 A 28 28 ASN CB C 39 40.800 39.984 0.816 1
1 378 . 2 1 1 A 28 28 ASN N N 39 118.900 121.510 -2.610 1
1 380 . 2 1 1 A 29 29 GLU H H 40 8.150 7.830 0.320 1
1 381 . 2 1 1 A 29 29 GLU HA H 40 4.560 4.308 0.252 1
1 386 . 2 1 1 A 29 29 GLU C C 40 174.800 176.251 -1.451 1
1 387 . 2 1 1 A 29 29 GLU CA C 40 55.600 57.786 -2.186 1
1 388 . 2 1 1 A 29 29 GLU CB C 40 30.500 30.624 -0.124 1
1 390 . 2 1 1 A 29 29 GLU N N 40 121.700 119.270 2.430 1
1 391 . 2 1 1 A 30 30 GLU H H 41 8.410 8.690 -0.280 1
1 392 . 2 1 1 A 30 30 GLU HA H 41 4.410 4.950 -0.540 1
1 397 . 2 1 1 A 30 30 GLU C C 41 175.100 175.105 -0.005 1
1 398 . 2 1 1 A 30 30 GLU CA C 41 55.400 54.677 0.723 1
1 399 . 2 1 1 A 30 30 GLU CB C 41 32.200 33.545 -1.345 1
1 401 . 2 1 1 A 30 30 GLU N N 41 120.500 120.619 -0.119 1
1 402 . 2 1 1 A 31 31 PHE H H 42 8.570 8.995 -0.425 1
1 403 . 2 1 1 A 31 31 PHE HA H 42 4.820 4.722 0.098 1
1 411 . 2 1 1 A 31 31 PHE C C 42 174.800 175.300 -0.500 1
1 412 . 2 1 1 A 31 31 PHE CA C 42 57.800 59.352 -1.552 1
1 413 . 2 1 1 A 31 31 PHE CB C 42 40.200 39.990 0.210 1
1 419 . 2 1 1 A 31 31 PHE N N 42 120.700 121.085 -0.385 1
1 420 . 2 1 1 A 32 32 ASN H H 43 8.350 9.047 -0.697 1
1 421 . 2 1 1 A 32 32 ASN HA H 43 4.950 5.306 -0.356 1
1 426 . 2 1 1 A 32 32 ASN CA C 43 51.600 49.467 2.133 1
1 427 . 2 1 1 A 32 32 ASN CB C 43 39.300 40.693 -1.393 1
1 429 . 2 1 1 A 32 32 ASN N N 43 122.000 121.539 0.461 1
1 431 . 2 1 1 A 33 33 PRO HA H 44 4.260 4.389 -0.129 1
1 438 . 2 1 1 A 33 33 PRO C C 44 177.400 177.721 -0.321 1
1 439 . 2 1 1 A 33 33 PRO CA C 44 65.300 65.586 -0.286 1
1 440 . 2 1 1 A 33 33 PRO CB C 44 32.200 31.854 0.346 1
1 443 . 2 1 1 A 34 34 ILE H H 45 7.840 8.119 -0.279 1
1 444 . 2 1 1 A 34 34 ILE HA H 45 4.240 4.321 -0.081 1
1 454 . 2 1 1 A 34 34 ILE C C 45 176.400 175.762 0.638 1
1 455 . 2 1 1 A 34 34 ILE CA C 45 61.000 61.811 -0.811 1
1 456 . 2 1 1 A 34 34 ILE CB C 45 38.600 38.920 -0.320 1
1 460 . 2 1 1 A 34 34 ILE N N 45 113.700 116.285 -2.585 1
1 461 . 2 1 1 A 35 35 GLY H H 46 7.860 8.295 -0.435 1
1 462 . 2 1 1 A 35 35 GLY HA2 H 46 3.870 4.186 -0.316 1
1 463 . 2 1 1 A 35 35 GLY HA3 H 46 4.130 4.214 -0.084 1
1 464 . 2 1 1 A 35 35 GLY C C 46 172.700 171.998 0.702 1
1 465 . 2 1 1 A 35 35 GLY CA C 46 45.900 45.885 0.015 1
1 466 . 2 1 1 A 35 35 GLY N N 46 111.900 109.373 2.527 1
1 467 . 2 1 1 A 36 36 ILE H H 47 8.180 8.618 -0.438 1
1 468 . 2 1 1 A 36 36 ILE HA H 47 4.720 5.085 -0.365 1
1 478 . 2 1 1 A 36 36 ILE C C 47 174.900 173.615 1.285 1
1 479 . 2 1 1 A 36 36 ILE CA C 47 60.500 58.612 1.888 1
1 480 . 2 1 1 A 36 36 ILE CB C 47 40.800 42.324 -1.524 1
1 484 . 2 1 1 A 36 36 ILE N N 47 118.300 121.225 -2.925 1
1 485 . 2 1 1 A 37 37 SER H H 48 8.430 8.843 -0.413 1
1 486 . 2 1 1 A 37 37 SER HA H 48 4.990 5.339 -0.349 1
1 489 . 2 1 1 A 37 37 SER C C 48 172.900 172.887 0.013 1
1 490 . 2 1 1 A 37 37 SER CA C 48 57.800 56.632 1.168 1
1 491 . 2 1 1 A 37 37 SER CB C 48 65.600 65.148 0.452 1
1 492 . 2 1 1 A 37 37 SER N N 48 116.700 118.179 -1.479 1
1 493 . 2 1 1 A 38 38 ILE H H 49 9.150 9.337 -0.187 1
1 494 . 2 1 1 A 38 38 ILE HA H 49 4.720 4.869 -0.149 1
1 504 . 2 1 1 A 38 38 ILE C C 49 173.900 175.225 -1.325 1
1 505 . 2 1 1 A 38 38 ILE CA C 49 60.600 60.556 0.044 1
1 506 . 2 1 1 A 38 38 ILE CB C 49 41.000 39.229 1.771 1
1 510 . 2 1 1 A 38 38 ILE N N 49 124.300 128.162 -3.862 1
1 511 . 2 1 1 A 39 39 ASP H H 50 8.700 8.999 -0.299 1
1 512 . 2 1 1 A 39 39 ASP HA H 50 5.540 5.566 -0.026 1
1 515 . 2 1 1 A 39 39 ASP C C 50 176.200 175.698 0.502 1
1 516 . 2 1 1 A 39 39 ASP CA C 50 52.300 52.275 0.025 1
1 517 . 2 1 1 A 39 39 ASP CB C 50 44.300 43.981 0.319 1
1 518 . 2 1 1 A 39 39 ASP N N 50 126.600 126.009 0.591 1
1 519 . 2 1 1 A 40 40 GLY H H 51 7.100 7.175 -0.075 1
1 520 . 2 1 1 A 40 40 GLY HA2 H 51 3.780 3.613 0.167 1
1 521 . 2 1 1 A 40 40 GLY HA3 H 51 4.070 3.917 0.153 1
1 522 . 2 1 1 A 40 40 GLY C C 51 170.100 170.896 -0.796 1
1 523 . 2 1 1 A 40 40 GLY CA C 51 47.200 45.629 1.571 1
1 524 . 2 1 1 A 40 40 GLY N N 51 106.400 108.742 -2.342 1
1 525 . 2 1 1 A 41 41 TYR H H 52 8.390 8.011 0.379 1
1 526 . 2 1 1 A 41 41 TYR HA H 52 5.530 5.866 -0.336 1
1 533 . 2 1 1 A 41 41 TYR C C 52 175.200 173.159 2.041 1
1 534 . 2 1 1 A 41 41 TYR CA C 52 56.000 55.973 0.027 1
1 535 . 2 1 1 A 41 41 TYR CB C 52 39.200 42.057 -2.857 1
1 540 . 2 1 1 A 41 41 TYR N N 52 113.900 115.294 -1.394 1
1 541 . 2 1 1 A 42 42 ILE H H 53 8.420 8.384 0.036 1
1 542 . 2 1 1 A 42 42 ILE HA H 53 5.450 4.806 0.644 1
1 552 . 2 1 1 A 42 42 ILE C C 53 174.500 175.082 -0.582 1
1 553 . 2 1 1 A 42 42 ILE CA C 53 59.300 59.336 -0.036 1
1 554 . 2 1 1 A 42 42 ILE CB C 53 40.700 41.010 -0.310 1
1 558 . 2 1 1 A 42 42 ILE N N 53 113.200 116.734 -3.534 1
1 559 . 2 1 1 A 43 43 ASN H H 54 8.760 9.026 -0.266 1
1 560 . 2 1 1 A 43 43 ASN HA H 54 4.120 4.379 -0.259 1
1 565 . 2 1 1 A 43 43 ASN C C 54 173.900 174.519 -0.619 1
1 566 . 2 1 1 A 43 43 ASN CA C 54 53.300 54.575 -1.275 1
1 567 . 2 1 1 A 43 43 ASN CB C 54 35.500 36.999 -1.499 1
1 569 . 2 1 1 A 43 43 ASN N N 54 116.700 118.816 -2.116 1
1 571 . 2 1 1 A 44 44 ASN H H 55 9.270 8.596 0.674 1
1 572 . 2 1 1 A 44 44 ASN HA H 55 4.260 4.446 -0.186 1
1 577 . 2 1 1 A 44 44 ASN C C 55 173.600 173.061 0.539 1
1 578 . 2 1 1 A 44 44 ASN CA C 55 54.800 54.775 0.025 1
1 579 . 2 1 1 A 44 44 ASN CB C 55 38.100 37.313 0.787 1
1 581 . 2 1 1 A 44 44 ASN N N 55 110.300 108.697 1.603 1
1 583 . 2 1 1 A 45 45 ASP H H 56 8.100 8.027 0.073 1
1 584 . 2 1 1 A 45 45 ASP HA H 56 4.760 4.813 -0.053 1
1 587 . 2 1 1 A 45 45 ASP C C 56 175.900 176.262 -0.362 1
1 588 . 2 1 1 A 45 45 ASP CA C 56 52.600 52.738 -0.138 1
1 589 . 2 1 1 A 45 45 ASP CB C 56 42.000 41.617 0.383 1
1 590 . 2 1 1 A 45 45 ASP N N 56 119.500 118.955 0.545 1
1 591 . 2 1 1 A 46 46 LYS H H 57 8.260 8.616 -0.356 1
1 592 . 2 1 1 A 46 46 LYS HA H 57 2.760 3.477 -0.717 1
1 601 . 2 1 1 A 46 46 LYS C C 57 177.100 178.373 -1.273 1
1 602 . 2 1 1 A 46 46 LYS CA C 57 58.400 59.326 -0.926 1
1 603 . 2 1 1 A 46 46 LYS CB C 57 31.700 31.944 -0.244 1
1 607 . 2 1 1 A 46 46 LYS N N 57 124.100 125.527 -1.427 1
1 608 . 2 1 1 A 47 47 ASN H H 58 8.610 7.838 0.772 1
1 609 . 2 1 1 A 47 47 ASN HA H 58 4.620 4.545 0.075 1
1 614 . 2 1 1 A 47 47 ASN C C 58 177.000 176.737 0.263 1
1 615 . 2 1 1 A 47 47 ASN CA C 58 54.400 56.237 -1.837 1
1 616 . 2 1 1 A 47 47 ASN CB C 58 38.500 38.450 0.050 1
1 618 . 2 1 1 A 47 47 ASN N N 58 114.800 117.243 -2.443 1
1 620 . 2 1 1 A 48 48 LEU H H 59 8.470 7.489 0.981 1
1 621 . 2 1 1 A 48 48 LEU HA H 59 4.470 4.510 -0.040 1
1 631 . 2 1 1 A 48 48 LEU C C 59 175.300 175.551 -0.251 1
1 632 . 2 1 1 A 48 48 LEU CA C 59 52.800 54.194 -1.394 1
1 633 . 2 1 1 A 48 48 LEU CB C 59 39.100 40.048 -0.948 1
1 637 . 2 1 1 A 48 48 LEU N N 59 125.800 120.040 5.760 1
1 638 . 2 1 1 A 49 49 SER H H 60 7.270 8.677 -1.407 1
1 639 . 2 1 1 A 49 49 SER HA H 60 5.230 5.594 -0.364 1
1 642 . 2 1 1 A 49 49 SER C C 60 173.200 173.669 -0.469 1
1 643 . 2 1 1 A 49 49 SER CA C 60 56.900 57.327 -0.427 1
1 644 . 2 1 1 A 49 49 SER CB C 60 66.500 65.424 1.076 1
1 645 . 2 1 1 A 49 49 SER N N 60 112.400 121.969 -9.569 1
1 646 . 2 1 1 A 50 50 PHE H H 61 8.260 8.516 -0.256 1
1 647 . 2 1 1 A 50 50 PHE HA H 61 5.490 5.588 -0.098 1
1 655 . 2 1 1 A 50 50 PHE C C 61 174.500 173.198 1.302 1
1 656 . 2 1 1 A 50 50 PHE CA C 61 56.300 55.980 0.320 1
1 657 . 2 1 1 A 50 50 PHE CB C 61 44.600 42.874 1.726 1
1 663 . 2 1 1 A 50 50 PHE N N 61 114.200 119.273 -5.073 1
1 664 . 2 1 1 A 51 51 THR H H 62 8.520 8.636 -0.116 1
1 665 . 2 1 1 A 51 51 THR HA H 62 5.140 5.475 -0.335 1
1 670 . 2 1 1 A 51 51 THR C C 62 172.600 173.772 -1.172 1
1 671 . 2 1 1 A 51 51 THR CA C 62 62.000 61.212 0.788 1
1 672 . 2 1 1 A 51 51 THR CB C 62 72.000 72.097 -0.097 1
1 674 . 2 1 1 A 51 51 THR N N 62 116.000 115.475 0.525 1
1 675 . 2 1 1 A 52 52 ALA H H 63 9.870 9.062 0.808 1
1 676 . 2 1 1 A 52 52 ALA HA H 63 5.180 5.542 -0.362 1
1 680 . 2 1 1 A 52 52 ALA C C 63 176.300 175.745 0.555 1
1 681 . 2 1 1 A 52 52 ALA CA C 63 50.300 50.568 -0.268 1
1 682 . 2 1 1 A 52 52 ALA CB C 63 24.000 23.378 0.622 1
1 683 . 2 1 1 A 52 52 ALA N N 63 130.400 127.259 3.141 1
1 684 . 2 1 1 A 53 53 GLY H H 64 8.340 8.764 -0.424 1
1 685 . 2 1 1 A 53 53 GLY HA2 H 64 3.630 4.049 -0.419 1
1 686 . 2 1 1 A 53 53 GLY HA3 H 64 4.830 4.061 0.769 1
1 687 . 2 1 1 A 53 53 GLY C C 64 173.200 174.711 -1.511 1
1 688 . 2 1 1 A 53 53 GLY CA C 64 43.200 45.454 -2.254 1
1 689 . 2 1 1 A 53 53 GLY N N 64 107.100 108.308 -1.208 1
1 690 . 2 1 1 A 54 54 LYS H H 65 8.430 8.739 -0.309 1
1 691 . 2 1 1 A 54 54 LYS HA H 65 3.750 4.215 -0.465 1
1 700 . 2 1 1 A 54 54 LYS CA C 65 58.300 58.471 -0.171 1
1 701 . 2 1 1 A 54 54 LYS CB C 65 32.600 32.005 0.595 1
1 705 . 2 1 1 A 54 54 LYS N N 65 119.300 126.265 -6.965 1
1 708 . 2 1 1 A 55 55 ASP C C 66 172.900 175.042 -2.142 1
1 709 . 2 1 1 A 56 56 VAL H H 67 8.510 8.994 -0.484 1
1 710 . 2 1 1 A 56 56 VAL HA H 67 3.100 3.747 -0.647 1
1 718 . 2 1 1 A 56 56 VAL C C 67 176.400 175.628 0.772 1
1 719 . 2 1 1 A 56 56 VAL CA C 67 62.800 63.315 -0.515 1
1 720 . 2 1 1 A 56 56 VAL CB C 67 30.400 29.551 0.849 1
1 723 . 2 1 1 A 56 56 VAL N N 67 112.700 114.723 -2.023 1
1 724 . 2 1 1 A 57 57 LYS H H 68 7.580 8.505 -0.925 1
1 725 . 2 1 1 A 57 57 LYS HA H 68 4.000 4.200 -0.200 1
1 734 . 2 1 1 A 57 57 LYS C C 68 176.700 176.231 0.469 1
1 735 . 2 1 1 A 57 57 LYS CA C 68 58.400 58.417 -0.017 1
1 736 . 2 1 1 A 57 57 LYS CB C 68 32.100 32.959 -0.859 1
1 740 . 2 1 1 A 57 57 LYS N N 68 118.700 120.198 -1.498 1
1 741 . 2 1 1 A 58 58 ILE H H 69 7.160 7.749 -0.589 1
1 742 . 2 1 1 A 58 58 ILE HA H 69 4.270 4.422 -0.152 1
1 752 . 2 1 1 A 58 58 ILE C C 69 174.300 173.741 0.559 1
1 753 . 2 1 1 A 58 58 ILE CA C 69 59.900 59.471 0.429 1
1 754 . 2 1 1 A 58 58 ILE CB C 69 41.000 41.720 -0.720 1
1 758 . 2 1 1 A 58 58 ILE N N 69 115.700 117.990 -2.290 1
1 759 . 2 1 1 A 59 59 PHE H H 70 8.560 7.788 0.772 1
1 760 . 2 1 1 A 59 59 PHE HA H 70 4.890 6.174 -1.284 1
1 765 . 2 1 1 A 59 59 PHE C C 70 173.500 174.122 -0.622 1
1 766 . 2 1 1 A 59 59 PHE CA C 70 58.700 54.871 3.829 1
1 767 . 2 1 1 A 59 59 PHE CB C 70 42.400 42.708 -0.308 1
1 770 . 2 1 1 A 59 59 PHE N N 70 127.500 125.227 2.273 1
1 771 . 2 1 1 A 60 60 SER H H 71 8.430 8.713 -0.283 1
1 772 . 2 1 1 A 60 60 SER HA H 71 4.850 5.483 -0.633 1
1 775 . 2 1 1 A 60 60 SER C C 71 172.100 173.074 -0.974 1
1 776 . 2 1 1 A 60 60 SER CA C 71 56.900 57.124 -0.224 1
1 777 . 2 1 1 A 60 60 SER CB C 71 65.000 66.004 -1.004 1
1 778 . 2 1 1 A 60 60 SER N N 71 124.200 117.963 6.237 1
1 779 . 2 1 1 A 61 61 SER H H 72 8.630 8.905 -0.275 1
1 780 . 2 1 1 A 61 61 SER HA H 72 5.380 5.273 0.107 1
1 783 . 2 1 1 A 61 61 SER C C 72 174.700 173.914 0.786 1
1 784 . 2 1 1 A 61 61 SER CA C 72 57.400 57.317 0.083 1
1 785 . 2 1 1 A 61 61 SER CB C 72 68.200 66.458 1.742 1
1 786 . 2 1 1 A 61 61 SER N N 72 116.900 119.656 -2.756 1
1 787 . 2 1 1 A 62 62 SER H H 73 8.810 8.755 0.055 1
1 788 . 2 1 1 A 62 62 SER HA H 73 4.570 4.806 -0.236 1
1 792 . 2 1 1 A 62 62 SER C C 73 175.000 175.344 -0.344 1
1 793 . 2 1 1 A 62 62 SER CA C 73 57.600 57.254 0.346 1
1 794 . 2 1 1 A 62 62 SER CB C 73 65.400 65.354 0.046 1
1 795 . 2 1 1 A 62 62 SER N N 73 117.000 115.403 1.597 1
1 796 . 2 1 1 A 63 63 GLU H H 74 9.240 9.006 0.234 1
1 797 . 2 1 1 A 63 63 GLU HA H 74 4.140 3.982 0.158 1
1 802 . 2 1 1 A 63 63 GLU C C 74 179.000 178.370 0.630 1
1 803 . 2 1 1 A 63 63 GLU CA C 74 60.100 59.681 0.419 1
1 804 . 2 1 1 A 63 63 GLU CB C 74 29.600 29.418 0.182 1
1 806 . 2 1 1 A 63 63 GLU N N 74 123.600 122.743 0.857 1
1 807 . 2 1 1 A 64 64 GLU H H 75 8.970 8.057 0.913 1
1 808 . 2 1 1 A 64 64 GLU HA H 75 3.950 4.090 -0.140 1
1 813 . 2 1 1 A 64 64 GLU C C 75 179.000 179.394 -0.394 1
1 814 . 2 1 1 A 64 64 GLU CA C 75 60.100 59.107 0.993 1
1 815 . 2 1 1 A 64 64 GLU CB C 75 29.500 29.507 -0.007 1
1 817 . 2 1 1 A 64 64 GLU N N 75 117.000 119.875 -2.875 1
1 818 . 2 1 1 A 65 65 LEU H H 76 7.740 7.659 0.081 1
1 819 . 2 1 1 A 65 65 LEU HA H 76 4.330 4.223 0.107 1
1 829 . 2 1 1 A 65 65 LEU C C 76 178.900 178.163 0.737 1
1 830 . 2 1 1 A 65 65 LEU CA C 76 57.500 56.999 0.501 1
1 831 . 2 1 1 A 65 65 LEU CB C 76 41.800 41.920 -0.120 1
1 835 . 2 1 1 A 65 65 LEU N N 76 119.900 121.380 -1.480 1
1 836 . 2 1 1 A 66 66 ASP H H 77 8.620 8.696 -0.076 1
1 837 . 2 1 1 A 66 66 ASP HA H 77 4.580 4.382 0.198 1
1 840 . 2 1 1 A 66 66 ASP C C 77 178.800 178.342 0.458 1
1 841 . 2 1 1 A 66 66 ASP CA C 77 58.300 58.064 0.236 1
1 842 . 2 1 1 A 66 66 ASP CB C 77 42.100 41.928 0.172 1
1 843 . 2 1 1 A 66 66 ASP N N 77 120.300 119.670 0.630 1
1 844 . 2 1 1 A 67 67 LYS H H 78 7.210 8.280 -1.070 1
1 845 . 2 1 1 A 67 67 LYS HA H 78 4.240 4.103 0.137 1
1 854 . 2 1 1 A 67 67 LYS C C 78 177.400 179.015 -1.615 1
1 855 . 2 1 1 A 67 67 LYS CA C 78 58.000 59.139 -1.139 1
1 856 . 2 1 1 A 67 67 LYS CB C 78 33.000 32.212 0.788 1
1 860 . 2 1 1 A 67 67 LYS N N 78 113.200 117.701 -4.501 1
1 861 . 2 1 1 A 68 68 MET H H 79 8.210 8.131 0.079 1
1 862 . 2 1 1 A 68 68 MET HA H 79 4.270 4.223 0.047 1
1 870 . 2 1 1 A 68 68 MET C C 79 176.800 177.096 -0.296 1
1 871 . 2 1 1 A 68 68 MET CA C 79 56.800 58.438 -1.638 1
1 872 . 2 1 1 A 68 68 MET CB C 79 33.900 33.137 0.763 1
1 875 . 2 1 1 A 68 68 MET N N 79 116.400 118.541 -2.141 1
1 876 . 2 1 1 A 69 69 PHE H H 80 7.330 7.931 -0.601 1
1 877 . 2 1 1 A 69 69 PHE HA H 80 4.300 4.665 -0.365 1
1 882 . 2 1 1 A 69 69 PHE C C 80 176.900 175.381 1.519 1
1 883 . 2 1 1 A 69 69 PHE CA C 80 59.300 57.783 1.517 1
1 884 . 2 1 1 A 69 69 PHE CB C 80 40.600 38.813 1.787 1
1 887 . 2 1 1 A 69 69 PHE N N 80 118.100 121.289 -3.189 1
1 888 . 2 1 1 A 70 70 GLN H H 81 8.540 8.568 -0.028 1
1 889 . 2 1 1 A 70 70 GLN HA H 81 4.450 4.383 0.067 1
1 896 . 2 1 1 A 70 70 GLN C C 81 174.200 174.689 -0.489 1
1 897 . 2 1 1 A 70 70 GLN CA C 81 55.000 55.152 -0.152 1
1 898 . 2 1 1 A 70 70 GLN CB C 81 29.400 30.063 -0.663 1
1 901 . 2 1 1 A 70 70 GLN N N 81 121.600 125.793 -4.193 1
1 903 . 2 1 1 A 71 71 GLU H H 82 8.340 7.020 1.320 1
1 904 . 2 1 1 A 71 71 GLU HA H 82 4.780 4.558 0.222 1
1 909 . 2 1 1 A 71 71 GLU CA C 82 53.100 53.023 0.077 1
1 910 . 2 1 1 A 71 71 GLU CB C 82 30.600 30.329 0.271 1
1 912 . 2 1 1 A 71 71 GLU N N 82 122.900 120.138 2.762 1
1 913 . 2 1 1 A 72 72 PRO HA H 83 4.880 4.915 -0.035 1
1 920 . 2 1 1 A 72 72 PRO C C 83 176.200 177.007 -0.807 1
1 921 . 2 1 1 A 72 72 PRO CA C 83 62.100 62.281 -0.181 1
1 922 . 2 1 1 A 72 72 PRO CB C 83 33.800 32.027 1.773 1
1 925 . 2 1 1 A 73 73 ARG H H 84 8.580 8.710 -0.130 1
1 926 . 2 1 1 A 73 73 ARG HA H 84 4.390 4.578 -0.188 1
1 934 . 2 1 1 A 73 73 ARG C C 84 176.000 177.251 -1.251 1
1 935 . 2 1 1 A 73 73 ARG CA C 84 56.000 55.434 0.566 1
1 936 . 2 1 1 A 73 73 ARG CB C 84 31.100 31.078 0.022 1
1 940 . 2 1 1 A 73 73 ARG N N 84 123.400 122.734 0.666 1
1 942 . 2 1 1 A 74 74 LYS H H 85 9.080 9.085 -0.005 1
1 943 . 2 1 1 A 74 74 LYS HA H 85 4.540 4.581 -0.041 1
1 952 . 2 1 1 A 74 74 LYS C C 85 176.500 176.077 0.423 1
1 953 . 2 1 1 A 74 74 LYS CA C 85 55.000 56.230 -1.230 1
1 954 . 2 1 1 A 74 74 LYS CB C 85 34.900 33.346 1.554 1
1 958 . 2 1 1 A 74 74 LYS N N 85 123.300 120.694 2.606 1
1 959 . 2 1 1 A 75 75 GLY H H 86 8.870 7.298 1.572 1
1 960 . 2 1 1 A 75 75 GLY HA2 H 86 3.930 4.207 -0.277 1
1 961 . 2 1 1 A 75 75 GLY HA3 H 86 4.350 4.252 0.098 1
1 962 . 2 1 1 A 75 75 GLY C C 86 174.000 174.544 -0.544 1
1 963 . 2 1 1 A 75 75 GLY CA C 86 44.600 45.311 -0.711 1
1 964 . 2 1 1 A 75 75 GLY N N 86 108.700 106.923 1.777 1
1 965 . 2 1 1 A 76 76 TYR H H 87 8.880 8.902 -0.022 1
1 966 . 2 1 1 A 76 76 TYR HA H 87 3.930 4.220 -0.290 1
1 973 . 2 1 1 A 76 76 TYR C C 87 175.800 177.327 -1.527 1
1 974 . 2 1 1 A 76 76 TYR CA C 87 62.900 61.761 1.139 1
1 975 . 2 1 1 A 76 76 TYR CB C 87 38.700 39.047 -0.347 1
1 980 . 2 1 1 A 76 76 TYR N N 87 120.400 121.017 -0.617 1
1 981 . 2 1 1 A 77 77 ASP H H 88 8.450 8.265 0.185 1
1 982 . 2 1 1 A 77 77 ASP HA H 88 4.000 4.550 -0.550 1
1 985 . 2 1 1 A 77 77 ASP C C 88 178.200 179.006 -0.806 1
1 986 . 2 1 1 A 77 77 ASP CA C 88 57.000 56.470 0.530 1
1 987 . 2 1 1 A 77 77 ASP CB C 88 39.600 40.586 -0.986 1
1 988 . 2 1 1 A 77 77 ASP N N 88 115.800 119.243 -3.443 1
1 989 . 2 1 1 A 78 78 GLU H H 89 7.520 7.836 -0.316 1
1 990 . 2 1 1 A 78 78 GLU HA H 89 4.020 4.157 -0.137 1
1 995 . 2 1 1 A 78 78 GLU C C 89 178.500 179.278 -0.778 1
1 996 . 2 1 1 A 78 78 GLU CA C 89 58.500 58.722 -0.222 1
1 997 . 2 1 1 A 78 78 GLU CB C 89 30.100 29.450 0.650 1
1 999 . 2 1 1 A 78 78 GLU N N 89 119.600 119.495 0.105 1
1 1000 . 2 1 1 A 79 79 ILE H H 90 7.850 7.347 0.503 1
1 1001 . 2 1 1 A 79 79 ILE HA H 90 3.300 3.649 -0.349 1
1 1011 . 2 1 1 A 79 79 ILE C C 90 177.700 177.708 -0.008 1
1 1012 . 2 1 1 A 79 79 ILE CA C 90 64.600 63.864 0.736 1
1 1013 . 2 1 1 A 79 79 ILE CB C 90 37.700 37.258 0.442 1
1 1017 . 2 1 1 A 79 79 ILE N N 90 121.700 119.215 2.485 1
1 1018 . 2 1 1 A 80 80 LEU H H 91 7.710 7.919 -0.209 1
1 1019 . 2 1 1 A 80 80 LEU HA H 91 3.780 3.921 -0.141 1
1 1029 . 2 1 1 A 80 80 LEU C C 91 178.600 179.468 -0.868 1
1 1030 . 2 1 1 A 80 80 LEU CA C 91 56.900 57.649 -0.749 1
1 1031 . 2 1 1 A 80 80 LEU CB C 91 41.600 40.797 0.803 1
1 1035 . 2 1 1 A 80 80 LEU N N 91 120.500 120.189 0.311 1
1 1036 . 2 1 1 A 81 81 GLU H H 92 7.620 8.279 -0.659 1
1 1037 . 2 1 1 A 81 81 GLU HA H 92 3.960 4.038 -0.078 1
1 1042 . 2 1 1 A 81 81 GLU C C 92 177.400 178.858 -1.458 1
1 1043 . 2 1 1 A 81 81 GLU CA C 92 58.300 59.191 -0.891 1
1 1044 . 2 1 1 A 81 81 GLU CB C 92 29.700 29.733 -0.033 1
1 1046 . 2 1 1 A 81 81 GLU N N 92 118.100 120.627 -2.527 1
1 1047 . 2 1 1 A 82 82 HIS H H 93 7.840 7.703 0.137 1
1 1048 . 2 1 1 A 82 82 HIS HA H 93 4.440 4.099 0.341 1
1 1051 . 2 1 1 A 82 82 HIS C C 93 175.600 175.916 -0.316 1
1 1052 . 2 1 1 A 82 82 HIS CA C 93 57.000 59.371 -2.371 1
1 1053 . 2 1 1 A 82 82 HIS CB C 93 29.800 30.005 -0.205 1
1 1054 . 2 1 1 A 82 82 HIS N N 93 116.900 120.256 -3.356 1
1 1055 . 2 1 1 A 83 83 HIS H H 94 8.080 8.037 0.043 1
1 1056 . 2 1 1 A 83 83 HIS HA H 94 4.480 4.797 -0.317 1
1 1059 . 2 1 1 A 83 83 HIS CA C 94 56.700 54.499 2.201 1
1 1060 . 2 1 1 A 83 83 HIS CB C 94 29.900 27.761 2.139 1
1 1 . 3 1 1 A 2 2 PHE HA H 13 4.400 4.089 0.311 1
1 9 . 3 1 1 A 2 2 PHE C C 13 176.400 177.151 -0.751 1
1 10 . 3 1 1 A 2 2 PHE CA C 13 60.700 61.471 -0.771 1
1 11 . 3 1 1 A 2 2 PHE CB C 13 39.700 38.891 0.809 1
1 17 . 3 1 1 A 3 3 PHE H H 14 9.000 8.249 0.751 1
1 18 . 3 1 1 A 3 3 PHE HA H 14 4.000 4.282 -0.282 1
1 25 . 3 1 1 A 3 3 PHE C C 14 177.400 178.037 -0.637 1
1 26 . 3 1 1 A 3 3 PHE CA C 14 61.400 61.612 -0.212 1
1 27 . 3 1 1 A 3 3 PHE CB C 14 38.400 39.157 -0.757 1
1 32 . 3 1 1 A 3 3 PHE N N 14 118.700 115.894 2.806 1
1 33 . 3 1 1 A 4 4 ASN H H 15 8.000 8.525 -0.525 1
1 34 . 3 1 1 A 4 4 ASN HA H 15 4.250 4.422 -0.172 1
1 39 . 3 1 1 A 4 4 ASN C C 15 177.300 177.273 0.027 1
1 40 . 3 1 1 A 4 4 ASN CA C 15 56.400 56.878 -0.478 1
1 41 . 3 1 1 A 4 4 ASN CB C 15 38.000 39.172 -1.172 1
1 43 . 3 1 1 A 4 4 ASN N N 15 118.300 119.783 -1.483 1
1 45 . 3 1 1 A 5 5 GLU H H 16 8.080 8.078 0.002 1
1 46 . 3 1 1 A 5 5 GLU HA H 16 3.970 3.932 0.038 1
1 51 . 3 1 1 A 5 5 GLU C C 16 179.600 178.679 0.921 1
1 52 . 3 1 1 A 5 5 GLU CA C 16 59.200 59.356 -0.156 1
1 53 . 3 1 1 A 5 5 GLU CB C 16 29.400 28.909 0.491 1
1 55 . 3 1 1 A 5 5 GLU N N 16 120.400 117.258 3.142 1
1 56 . 3 1 1 A 6 6 GLN H H 17 7.930 7.662 0.268 1
1 57 . 3 1 1 A 6 6 GLN HA H 17 3.560 3.803 -0.243 1
1 64 . 3 1 1 A 6 6 GLN CA C 17 58.600 58.470 0.130 1
1 65 . 3 1 1 A 6 6 GLN CB C 17 28.100 28.331 -0.231 1
1 68 . 3 1 1 A 6 6 GLN N N 17 117.900 119.046 -1.146 1
1 70 . 3 1 1 A 7 7 LYS H H 18 8.120 7.416 0.704 1
1 71 . 3 1 1 A 7 7 LYS HA H 18 3.350 3.853 -0.503 1
1 80 . 3 1 1 A 7 7 LYS C C 18 179.900 179.481 0.419 1
1 81 . 3 1 1 A 7 7 LYS CA C 18 60.600 59.405 1.195 1
1 82 . 3 1 1 A 7 7 LYS CB C 18 32.000 31.875 0.125 1
1 86 . 3 1 1 A 7 7 LYS N N 18 118.800 119.704 -0.904 1
1 87 . 3 1 1 A 8 8 GLU H H 19 7.740 7.977 -0.237 1
1 88 . 3 1 1 A 8 8 GLU HA H 19 4.040 4.044 -0.004 1
1 93 . 3 1 1 A 8 8 GLU C C 19 179.000 179.331 -0.331 1
1 94 . 3 1 1 A 8 8 GLU CA C 19 59.800 59.283 0.517 1
1 95 . 3 1 1 A 8 8 GLU CB C 19 29.100 29.350 -0.250 1
1 97 . 3 1 1 A 8 8 GLU N N 19 121.300 120.168 1.132 1
1 98 . 3 1 1 A 9 9 LYS H H 20 7.500 7.367 0.133 1
1 99 . 3 1 1 A 9 9 LYS HA H 20 3.950 4.048 -0.098 1
1 108 . 3 1 1 A 9 9 LYS C C 20 178.100 179.508 -1.408 1
1 109 . 3 1 1 A 9 9 LYS CA C 20 60.500 59.394 1.106 1
1 110 . 3 1 1 A 9 9 LYS CB C 20 32.200 32.011 0.189 1
1 114 . 3 1 1 A 9 9 LYS N N 20 120.100 119.518 0.582 1
1 115 . 3 1 1 A 10 10 VAL H H 21 8.030 7.443 0.587 1
1 116 . 3 1 1 A 10 10 VAL HA H 21 3.410 3.687 -0.277 1
1 124 . 3 1 1 A 10 10 VAL C C 21 177.400 178.191 -0.791 1
1 125 . 3 1 1 A 10 10 VAL CA C 21 66.600 66.235 0.365 1
1 126 . 3 1 1 A 10 10 VAL CB C 21 31.800 31.701 0.099 1
1 129 . 3 1 1 A 10 10 VAL N N 21 117.300 119.794 -2.494 1
1 130 . 3 1 1 A 11 11 THR H H 22 8.230 8.097 0.133 1
1 131 . 3 1 1 A 11 11 THR HA H 22 3.580 3.680 -0.100 1
1 137 . 3 1 1 A 11 11 THR C C 22 174.700 176.202 -1.502 1
1 138 . 3 1 1 A 11 11 THR CA C 22 68.700 66.798 1.902 1
1 139 . 3 1 1 A 11 11 THR CB C 22 68.500 68.088 0.412 1
1 141 . 3 1 1 A 11 11 THR N N 22 115.700 117.307 -1.607 1
1 142 . 3 1 1 A 12 12 LEU H H 23 7.780 8.186 -0.406 1
1 143 . 3 1 1 A 12 12 LEU HA H 23 3.930 3.894 0.036 1
1 153 . 3 1 1 A 12 12 LEU C C 23 178.400 178.366 0.034 1
1 154 . 3 1 1 A 12 12 LEU CA C 23 58.500 58.104 0.396 1
1 155 . 3 1 1 A 12 12 LEU CB C 23 42.300 41.655 0.645 1
1 159 . 3 1 1 A 12 12 LEU N N 23 121.400 121.338 0.062 1
1 160 . 3 1 1 A 13 13 TYR H H 24 7.970 8.373 -0.403 1
1 161 . 3 1 1 A 13 13 TYR HA H 24 3.910 4.237 -0.327 1
1 168 . 3 1 1 A 13 13 TYR C C 24 177.400 177.230 0.170 1
1 169 . 3 1 1 A 13 13 TYR CA C 24 61.700 61.574 0.126 1
1 170 . 3 1 1 A 13 13 TYR CB C 24 39.400 38.829 0.571 1
1 175 . 3 1 1 A 13 13 TYR N N 24 119.100 119.574 -0.474 1
1 176 . 3 1 1 A 14 14 LEU H H 25 8.230 8.178 0.052 1
1 177 . 3 1 1 A 14 14 LEU HA H 25 3.400 3.648 -0.248 1
1 187 . 3 1 1 A 14 14 LEU C C 25 177.200 179.362 -2.162 1
1 188 . 3 1 1 A 14 14 LEU CA C 25 57.600 57.699 -0.099 1
1 189 . 3 1 1 A 14 14 LEU CB C 25 42.200 40.647 1.553 1
1 193 . 3 1 1 A 14 14 LEU N N 25 119.600 119.696 -0.096 1
1 194 . 3 1 1 A 15 15 LYS H H 26 8.010 7.729 0.281 1
1 195 . 3 1 1 A 15 15 LYS HA H 26 3.230 3.923 -0.693 1
1 204 . 3 1 1 A 15 15 LYS C C 26 178.800 178.612 0.188 1
1 205 . 3 1 1 A 15 15 LYS CA C 26 59.000 58.914 0.086 1
1 206 . 3 1 1 A 15 15 LYS CB C 26 32.600 31.868 0.732 1
1 210 . 3 1 1 A 15 15 LYS N N 26 117.000 120.419 -3.419 1
1 211 . 3 1 1 A 16 16 HIS H H 27 7.890 7.343 0.547 1
1 212 . 3 1 1 A 16 16 HIS HA H 27 4.030 4.363 -0.333 1
1 217 . 3 1 1 A 16 16 HIS C C 27 175.900 176.346 -0.446 1
1 218 . 3 1 1 A 16 16 HIS CA C 27 59.000 59.066 -0.066 1
1 219 . 3 1 1 A 16 16 HIS CB C 27 30.900 30.381 0.519 1
1 222 . 3 1 1 A 16 16 HIS N N 27 113.200 116.716 -3.516 1
1 223 . 3 1 1 A 17 17 ASN H H 28 6.950 7.787 -0.837 1
1 224 . 3 1 1 A 17 17 ASN HA H 28 4.900 4.582 0.318 1
1 229 . 3 1 1 A 17 17 ASN C C 28 172.900 174.736 -1.836 1
1 230 . 3 1 1 A 17 17 ASN CA C 28 54.100 53.671 0.429 1
1 231 . 3 1 1 A 17 17 ASN CB C 28 42.500 39.061 3.439 1
1 233 . 3 1 1 A 17 17 ASN N N 28 112.200 114.473 -2.273 1
1 235 . 3 1 1 A 18 18 ILE H H 29 7.310 7.941 -0.631 1
1 236 . 3 1 1 A 18 18 ILE HA H 29 4.560 4.457 0.103 1
1 246 . 3 1 1 A 18 18 ILE CA C 29 58.000 57.996 0.004 1
1 247 . 3 1 1 A 18 18 ILE CB C 29 38.000 38.889 -0.889 1
1 251 . 3 1 1 A 18 18 ILE N N 29 119.300 118.883 0.417 1
1 252 . 3 1 1 A 19 19 PRO HA H 30 4.170 4.326 -0.156 1
1 259 . 3 1 1 A 19 19 PRO C C 30 178.000 177.559 0.441 1
1 260 . 3 1 1 A 19 19 PRO CA C 30 65.700 65.183 0.517 1
1 261 . 3 1 1 A 19 19 PRO CB C 30 32.100 31.784 0.316 1
1 264 . 3 1 1 A 20 20 ASP H H 31 8.470 8.491 -0.021 1
1 265 . 3 1 1 A 20 20 ASP HA H 31 4.790 4.604 0.186 1
1 268 . 3 1 1 A 20 20 ASP C C 31 175.600 176.058 -0.458 1
1 269 . 3 1 1 A 20 20 ASP CA C 31 53.800 54.428 -0.628 1
1 270 . 3 1 1 A 20 20 ASP CB C 31 39.600 40.657 -1.057 1
1 271 . 3 1 1 A 20 20 ASP N N 31 113.700 117.219 -3.519 1
1 272 . 3 1 1 A 21 21 PHE H H 32 7.890 7.920 -0.030 1
1 273 . 3 1 1 A 21 21 PHE HA H 32 3.810 4.384 -0.574 1
1 281 . 3 1 1 A 21 21 PHE C C 32 174.200 175.276 -1.076 1
1 282 . 3 1 1 A 21 21 PHE CA C 32 61.100 59.511 1.589 1
1 283 . 3 1 1 A 21 21 PHE CB C 32 39.900 39.930 -0.030 1
1 289 . 3 1 1 A 21 21 PHE N N 32 122.200 123.524 -1.324 1
1 290 . 3 1 1 A 22 22 ASN H H 33 9.380 8.547 0.833 1
1 291 . 3 1 1 A 22 22 ASN HA H 33 4.680 4.547 0.133 1
1 296 . 3 1 1 A 22 22 ASN C C 33 173.600 173.767 -0.167 1
1 297 . 3 1 1 A 22 22 ASN CA C 33 54.600 54.301 0.299 1
1 298 . 3 1 1 A 22 22 ASN CB C 33 41.700 40.561 1.139 1
1 300 . 3 1 1 A 22 22 ASN N N 33 126.600 125.787 0.813 1
1 302 . 3 1 1 A 23 23 THR H H 34 7.010 6.879 0.131 1
1 303 . 3 1 1 A 23 23 THR HA H 34 4.280 4.163 0.117 1
1 308 . 3 1 1 A 23 23 THR C C 34 171.100 171.212 -0.112 1
1 309 . 3 1 1 A 23 23 THR CA C 34 60.300 60.368 -0.068 1
1 310 . 3 1 1 A 23 23 THR CB C 34 71.100 70.062 1.038 1
1 312 . 3 1 1 A 23 23 THR N N 34 109.600 110.593 -0.993 1
1 313 . 3 1 1 A 24 24 VAL H H 35 8.290 8.873 -0.583 1
1 314 . 3 1 1 A 24 24 VAL HA H 35 4.850 4.870 -0.020 1
1 322 . 3 1 1 A 24 24 VAL C C 35 171.400 173.162 -1.762 1
1 323 . 3 1 1 A 24 24 VAL CA C 35 59.300 59.655 -0.355 1
1 324 . 3 1 1 A 24 24 VAL CB C 35 35.500 35.049 0.451 1
1 327 . 3 1 1 A 24 24 VAL N N 35 119.500 122.666 -3.166 1
1 328 . 3 1 1 A 25 25 THR H H 36 8.200 8.432 -0.232 1
1 329 . 3 1 1 A 25 25 THR HA H 36 4.150 4.726 -0.576 1
1 334 . 3 1 1 A 25 25 THR C C 36 171.900 173.233 -1.333 1
1 335 . 3 1 1 A 25 25 THR CA C 36 61.100 60.704 0.396 1
1 336 . 3 1 1 A 25 25 THR CB C 36 70.900 69.949 0.951 1
1 338 . 3 1 1 A 25 25 THR N N 36 125.200 123.001 2.199 1
1 339 . 3 1 1 A 26 26 PHE H H 37 8.900 8.846 0.054 1
1 340 . 3 1 1 A 26 26 PHE HA H 37 5.140 5.034 0.106 1
1 348 . 3 1 1 A 26 26 PHE C C 37 176.900 175.389 1.511 1
1 349 . 3 1 1 A 26 26 PHE CA C 37 58.100 56.475 1.625 1
1 350 . 3 1 1 A 26 26 PHE CB C 37 39.900 40.413 -0.513 1
1 356 . 3 1 1 A 26 26 PHE N N 37 124.500 125.706 -1.206 1
1 357 . 3 1 1 A 27 27 THR H H 38 9.090 8.898 0.192 1
1 358 . 3 1 1 A 27 27 THR HA H 38 4.430 4.629 -0.199 1
1 363 . 3 1 1 A 27 27 THR C C 38 174.800 176.021 -1.221 1
1 364 . 3 1 1 A 27 27 THR CA C 38 61.600 62.779 -1.179 1
1 365 . 3 1 1 A 27 27 THR CB C 38 69.400 72.291 -2.891 1
1 367 . 3 1 1 A 27 27 THR N N 38 114.000 119.812 -5.812 1
1 368 . 3 1 1 A 28 28 ASN H H 39 7.880 8.239 -0.359 1
1 369 . 3 1 1 A 28 28 ASN HA H 39 4.780 4.517 0.263 1
1 374 . 3 1 1 A 28 28 ASN C C 39 173.700 175.910 -2.210 1
1 375 . 3 1 1 A 28 28 ASN CA C 39 54.100 55.816 -1.716 1
1 376 . 3 1 1 A 28 28 ASN CB C 39 40.800 38.348 2.452 1
1 378 . 3 1 1 A 28 28 ASN N N 39 118.900 119.260 -0.360 1
1 380 . 3 1 1 A 29 29 GLU H H 40 8.150 8.008 0.142 1
1 381 . 3 1 1 A 29 29 GLU HA H 40 4.560 4.332 0.228 1
1 386 . 3 1 1 A 29 29 GLU C C 40 174.800 174.333 0.467 1
1 387 . 3 1 1 A 29 29 GLU CA C 40 55.600 56.929 -1.329 1
1 388 . 3 1 1 A 29 29 GLU CB C 40 30.500 28.955 1.545 1
1 390 . 3 1 1 A 29 29 GLU N N 40 121.700 118.648 3.052 1
1 391 . 3 1 1 A 30 30 GLU H H 41 8.410 8.265 0.145 1
1 392 . 3 1 1 A 30 30 GLU HA H 41 4.410 4.593 -0.183 1
1 397 . 3 1 1 A 30 30 GLU C C 41 175.100 174.179 0.921 1
1 398 . 3 1 1 A 30 30 GLU CA C 41 55.400 55.990 -0.590 1
1 399 . 3 1 1 A 30 30 GLU CB C 41 32.200 33.792 -1.592 1
1 401 . 3 1 1 A 30 30 GLU N N 41 120.500 125.753 -5.253 1
1 402 . 3 1 1 A 31 31 PHE H H 42 8.570 8.740 -0.170 1
1 403 . 3 1 1 A 31 31 PHE HA H 42 4.820 5.027 -0.207 1
1 411 . 3 1 1 A 31 31 PHE C C 42 174.800 175.610 -0.810 1
1 412 . 3 1 1 A 31 31 PHE CA C 42 57.800 57.448 0.352 1
1 413 . 3 1 1 A 31 31 PHE CB C 42 40.200 40.936 -0.736 1
1 419 . 3 1 1 A 31 31 PHE N N 42 120.700 123.552 -2.852 1
1 420 . 3 1 1 A 32 32 ASN H H 43 8.350 8.400 -0.050 1
1 421 . 3 1 1 A 32 32 ASN HA H 43 4.950 5.281 -0.331 1
1 426 . 3 1 1 A 32 32 ASN CA C 43 51.600 49.989 1.611 1
1 427 . 3 1 1 A 32 32 ASN CB C 43 39.300 39.716 -0.416 1
1 429 . 3 1 1 A 32 32 ASN N N 43 122.000 121.390 0.610 1
1 431 . 3 1 1 A 33 33 PRO HA H 44 4.260 4.367 -0.107 1
1 438 . 3 1 1 A 33 33 PRO C C 44 177.400 178.011 -0.611 1
1 439 . 3 1 1 A 33 33 PRO CA C 44 65.300 65.559 -0.259 1
1 440 . 3 1 1 A 33 33 PRO CB C 44 32.200 31.741 0.459 1
1 443 . 3 1 1 A 34 34 ILE H H 45 7.840 7.834 0.006 1
1 444 . 3 1 1 A 34 34 ILE HA H 45 4.240 4.043 0.197 1
1 454 . 3 1 1 A 34 34 ILE C C 45 176.400 175.446 0.954 1
1 455 . 3 1 1 A 34 34 ILE CA C 45 61.000 61.418 -0.418 1
1 456 . 3 1 1 A 34 34 ILE CB C 45 38.600 37.717 0.883 1
1 460 . 3 1 1 A 34 34 ILE N N 45 113.700 114.455 -0.755 1
1 461 . 3 1 1 A 35 35 GLY H H 46 7.860 8.100 -0.240 1
1 462 . 3 1 1 A 35 35 GLY HA2 H 46 3.870 4.239 -0.369 1
1 463 . 3 1 1 A 35 35 GLY HA3 H 46 4.130 4.254 -0.124 1
1 464 . 3 1 1 A 35 35 GLY C C 46 172.700 172.392 0.308 1
1 465 . 3 1 1 A 35 35 GLY CA C 46 45.900 45.309 0.591 1
1 466 . 3 1 1 A 35 35 GLY N N 46 111.900 108.713 3.187 1
1 467 . 3 1 1 A 36 36 ILE H H 47 8.180 8.590 -0.410 1
1 468 . 3 1 1 A 36 36 ILE HA H 47 4.720 5.175 -0.455 1
1 478 . 3 1 1 A 36 36 ILE C C 47 174.900 174.324 0.576 1
1 479 . 3 1 1 A 36 36 ILE CA C 47 60.500 58.642 1.858 1
1 480 . 3 1 1 A 36 36 ILE CB C 47 40.800 42.413 -1.613 1
1 484 . 3 1 1 A 36 36 ILE N N 47 118.300 121.285 -2.985 1
1 485 . 3 1 1 A 37 37 SER H H 48 8.430 8.698 -0.268 1
1 486 . 3 1 1 A 37 37 SER HA H 48 4.990 5.419 -0.429 1
1 489 . 3 1 1 A 37 37 SER C C 48 172.900 172.859 0.041 1
1 490 . 3 1 1 A 37 37 SER CA C 48 57.800 56.640 1.160 1
1 491 . 3 1 1 A 37 37 SER CB C 48 65.600 65.798 -0.198 1
1 492 . 3 1 1 A 37 37 SER N N 48 116.700 118.057 -1.357 1
1 493 . 3 1 1 A 38 38 ILE H H 49 9.150 9.183 -0.033 1
1 494 . 3 1 1 A 38 38 ILE HA H 49 4.720 4.675 0.045 1
1 504 . 3 1 1 A 38 38 ILE C C 49 173.900 174.203 -0.303 1
1 505 . 3 1 1 A 38 38 ILE CA C 49 60.600 60.529 0.071 1
1 506 . 3 1 1 A 38 38 ILE CB C 49 41.000 38.826 2.174 1
1 510 . 3 1 1 A 38 38 ILE N N 49 124.300 125.619 -1.319 1
1 511 . 3 1 1 A 39 39 ASP H H 50 8.700 9.115 -0.415 1
1 512 . 3 1 1 A 39 39 ASP HA H 50 5.540 6.002 -0.462 1
1 515 . 3 1 1 A 39 39 ASP C C 50 176.200 175.254 0.946 1
1 516 . 3 1 1 A 39 39 ASP CA C 50 52.300 52.589 -0.289 1
1 517 . 3 1 1 A 39 39 ASP CB C 50 44.300 44.746 -0.446 1
1 518 . 3 1 1 A 39 39 ASP N N 50 126.600 128.520 -1.920 1
1 519 . 3 1 1 A 40 40 GLY H H 51 7.100 8.782 -1.682 1
1 520 . 3 1 1 A 40 40 GLY HA2 H 51 3.780 4.286 -0.506 1
1 521 . 3 1 1 A 40 40 GLY HA3 H 51 4.070 4.422 -0.352 1
1 522 . 3 1 1 A 40 40 GLY C C 51 170.100 172.019 -1.919 1
1 523 . 3 1 1 A 40 40 GLY CA C 51 47.200 46.347 0.853 1
1 524 . 3 1 1 A 40 40 GLY N N 51 106.400 111.275 -4.875 1
1 525 . 3 1 1 A 41 41 TYR H H 52 8.390 8.126 0.264 1
1 526 . 3 1 1 A 41 41 TYR HA H 52 5.530 5.804 -0.274 1
1 533 . 3 1 1 A 41 41 TYR C C 52 175.200 173.110 2.090 1
1 534 . 3 1 1 A 41 41 TYR CA C 52 56.000 56.063 -0.063 1
1 535 . 3 1 1 A 41 41 TYR CB C 52 39.200 42.309 -3.109 1
1 540 . 3 1 1 A 41 41 TYR N N 52 113.900 117.650 -3.750 1
1 541 . 3 1 1 A 42 42 ILE H H 53 8.420 8.311 0.109 1
1 542 . 3 1 1 A 42 42 ILE HA H 53 5.450 4.775 0.675 1
1 552 . 3 1 1 A 42 42 ILE C C 53 174.500 175.186 -0.686 1
1 553 . 3 1 1 A 42 42 ILE CA C 53 59.300 59.426 -0.126 1
1 554 . 3 1 1 A 42 42 ILE CB C 53 40.700 41.035 -0.335 1
1 558 . 3 1 1 A 42 42 ILE N N 53 113.200 117.357 -4.157 1
1 559 . 3 1 1 A 43 43 ASN H H 54 8.760 9.412 -0.652 1
1 560 . 3 1 1 A 43 43 ASN HA H 54 4.120 4.361 -0.241 1
1 565 . 3 1 1 A 43 43 ASN C C 54 173.900 174.528 -0.628 1
1 566 . 3 1 1 A 43 43 ASN CA C 54 53.300 54.602 -1.302 1
1 567 . 3 1 1 A 43 43 ASN CB C 54 35.500 37.024 -1.524 1
1 569 . 3 1 1 A 43 43 ASN N N 54 116.700 118.890 -2.190 1
1 571 . 3 1 1 A 44 44 ASN H H 55 9.270 8.598 0.672 1
1 572 . 3 1 1 A 44 44 ASN HA H 55 4.260 4.457 -0.197 1
1 577 . 3 1 1 A 44 44 ASN C C 55 173.600 173.094 0.506 1
1 578 . 3 1 1 A 44 44 ASN CA C 55 54.800 54.766 0.034 1
1 579 . 3 1 1 A 44 44 ASN CB C 55 38.100 37.321 0.779 1
1 581 . 3 1 1 A 44 44 ASN N N 55 110.300 108.691 1.609 1
1 583 . 3 1 1 A 45 45 ASP H H 56 8.100 8.035 0.065 1
1 584 . 3 1 1 A 45 45 ASP HA H 56 4.760 4.827 -0.067 1
1 587 . 3 1 1 A 45 45 ASP C C 56 175.900 176.369 -0.469 1
1 588 . 3 1 1 A 45 45 ASP CA C 56 52.600 52.785 -0.185 1
1 589 . 3 1 1 A 45 45 ASP CB C 56 42.000 41.425 0.575 1
1 590 . 3 1 1 A 45 45 ASP N N 56 119.500 119.031 0.469 1
1 591 . 3 1 1 A 46 46 LYS H H 57 8.260 8.654 -0.394 1
1 592 . 3 1 1 A 46 46 LYS HA H 57 2.760 3.543 -0.783 1
1 601 . 3 1 1 A 46 46 LYS C C 57 177.100 178.435 -1.335 1
1 602 . 3 1 1 A 46 46 LYS CA C 57 58.400 59.450 -1.050 1
1 603 . 3 1 1 A 46 46 LYS CB C 57 31.700 31.986 -0.286 1
1 607 . 3 1 1 A 46 46 LYS N N 57 124.100 125.495 -1.395 1
1 608 . 3 1 1 A 47 47 ASN H H 58 8.610 7.873 0.737 1
1 609 . 3 1 1 A 47 47 ASN HA H 58 4.620 4.519 0.101 1
1 614 . 3 1 1 A 47 47 ASN C C 58 177.000 176.835 0.165 1
1 615 . 3 1 1 A 47 47 ASN CA C 58 54.400 56.304 -1.904 1
1 616 . 3 1 1 A 47 47 ASN CB C 58 38.500 38.484 0.016 1
1 618 . 3 1 1 A 47 47 ASN N N 58 114.800 117.219 -2.419 1
1 620 . 3 1 1 A 48 48 LEU H H 59 8.470 7.466 1.004 1
1 621 . 3 1 1 A 48 48 LEU HA H 59 4.470 4.504 -0.034 1
1 631 . 3 1 1 A 48 48 LEU C C 59 175.300 176.080 -0.780 1
1 632 . 3 1 1 A 48 48 LEU CA C 59 52.800 54.403 -1.603 1
1 633 . 3 1 1 A 48 48 LEU CB C 59 39.100 40.561 -1.461 1
1 637 . 3 1 1 A 48 48 LEU N N 59 125.800 120.774 5.026 1
1 638 . 3 1 1 A 49 49 SER H H 60 7.270 8.318 -1.048 1
1 639 . 3 1 1 A 49 49 SER HA H 60 5.230 5.077 0.153 1
1 642 . 3 1 1 A 49 49 SER C C 60 173.200 173.944 -0.744 1
1 643 . 3 1 1 A 49 49 SER CA C 60 56.900 57.910 -1.010 1
1 644 . 3 1 1 A 49 49 SER CB C 60 66.500 65.093 1.407 1
1 645 . 3 1 1 A 49 49 SER N N 60 112.400 119.886 -7.486 1
1 646 . 3 1 1 A 50 50 PHE H H 61 8.260 9.385 -1.125 1
1 647 . 3 1 1 A 50 50 PHE HA H 61 5.490 5.139 0.351 1
1 655 . 3 1 1 A 50 50 PHE C C 61 174.500 173.332 1.168 1
1 656 . 3 1 1 A 50 50 PHE CA C 61 56.300 57.473 -1.173 1
1 657 . 3 1 1 A 50 50 PHE CB C 61 44.600 42.712 1.888 1
1 663 . 3 1 1 A 50 50 PHE N N 61 114.200 122.565 -8.365 1
1 664 . 3 1 1 A 51 51 THR H H 62 8.520 7.998 0.522 1
1 665 . 3 1 1 A 51 51 THR HA H 62 5.140 5.397 -0.257 1
1 670 . 3 1 1 A 51 51 THR C C 62 172.600 172.714 -0.114 1
1 671 . 3 1 1 A 51 51 THR CA C 62 62.000 60.769 1.231 1
1 672 . 3 1 1 A 51 51 THR CB C 62 72.000 71.982 0.018 1
1 674 . 3 1 1 A 51 51 THR N N 62 116.000 121.060 -5.060 1
1 675 . 3 1 1 A 52 52 ALA H H 63 9.870 8.925 0.945 1
1 676 . 3 1 1 A 52 52 ALA HA H 63 5.180 5.105 0.075 1
1 680 . 3 1 1 A 52 52 ALA C C 63 176.300 175.819 0.481 1
1 681 . 3 1 1 A 52 52 ALA CA C 63 50.300 50.662 -0.362 1
1 682 . 3 1 1 A 52 52 ALA CB C 63 24.000 22.898 1.102 1
1 683 . 3 1 1 A 52 52 ALA N N 63 130.400 126.694 3.706 1
1 684 . 3 1 1 A 53 53 GLY H H 64 8.340 8.485 -0.145 1
1 685 . 3 1 1 A 53 53 GLY HA2 H 64 3.630 4.134 -0.504 1
1 686 . 3 1 1 A 53 53 GLY HA3 H 64 4.830 4.136 0.694 1
1 687 . 3 1 1 A 53 53 GLY C C 64 173.200 174.777 -1.577 1
1 688 . 3 1 1 A 53 53 GLY CA C 64 43.200 44.692 -1.492 1
1 689 . 3 1 1 A 53 53 GLY N N 64 107.100 109.167 -2.067 1
1 690 . 3 1 1 A 54 54 LYS H H 65 8.430 9.020 -0.590 1
1 691 . 3 1 1 A 54 54 LYS HA H 65 3.750 4.157 -0.407 1
1 700 . 3 1 1 A 54 54 LYS CA C 65 58.300 58.413 -0.113 1
1 701 . 3 1 1 A 54 54 LYS CB C 65 32.600 31.898 0.702 1
1 705 . 3 1 1 A 54 54 LYS N N 65 119.300 122.219 -2.919 1
1 708 . 3 1 1 A 55 55 ASP C C 66 172.900 175.730 -2.830 1
1 709 . 3 1 1 A 56 56 VAL H H 67 8.510 8.278 0.232 1
1 710 . 3 1 1 A 56 56 VAL HA H 67 3.100 3.754 -0.654 1
1 718 . 3 1 1 A 56 56 VAL C C 67 176.400 175.601 0.799 1
1 719 . 3 1 1 A 56 56 VAL CA C 67 62.800 63.282 -0.482 1
1 720 . 3 1 1 A 56 56 VAL CB C 67 30.400 29.468 0.932 1
1 723 . 3 1 1 A 56 56 VAL N N 67 112.700 120.693 -7.993 1
1 724 . 3 1 1 A 57 57 LYS H H 68 7.580 8.092 -0.512 1
1 725 . 3 1 1 A 57 57 LYS HA H 68 4.000 4.211 -0.211 1
1 734 . 3 1 1 A 57 57 LYS C C 68 176.700 176.740 -0.040 1
1 735 . 3 1 1 A 57 57 LYS CA C 68 58.400 58.844 -0.444 1
1 736 . 3 1 1 A 57 57 LYS CB C 68 32.100 32.717 -0.617 1
1 740 . 3 1 1 A 57 57 LYS N N 68 118.700 120.516 -1.816 1
1 741 . 3 1 1 A 58 58 ILE H H 69 7.160 8.047 -0.887 1
1 742 . 3 1 1 A 58 58 ILE HA H 69 4.270 4.579 -0.309 1
1 752 . 3 1 1 A 58 58 ILE C C 69 174.300 174.294 0.006 1
1 753 . 3 1 1 A 58 58 ILE CA C 69 59.900 60.262 -0.362 1
1 754 . 3 1 1 A 58 58 ILE CB C 69 41.000 40.300 0.700 1
1 758 . 3 1 1 A 58 58 ILE N N 69 115.700 119.706 -4.006 1
1 759 . 3 1 1 A 59 59 PHE H H 70 8.560 9.043 -0.483 1
1 760 . 3 1 1 A 59 59 PHE HA H 70 4.890 4.698 0.192 1
1 765 . 3 1 1 A 59 59 PHE C C 70 173.500 174.012 -0.512 1
1 766 . 3 1 1 A 59 59 PHE CA C 70 58.700 56.832 1.868 1
1 767 . 3 1 1 A 59 59 PHE CB C 70 42.400 40.254 2.146 1
1 770 . 3 1 1 A 59 59 PHE N N 70 127.500 129.172 -1.672 1
1 771 . 3 1 1 A 60 60 SER H H 71 8.430 7.951 0.479 1
1 772 . 3 1 1 A 60 60 SER HA H 71 4.850 4.763 0.087 1
1 775 . 3 1 1 A 60 60 SER C C 71 172.100 172.359 -0.259 1
1 776 . 3 1 1 A 60 60 SER CA C 71 56.900 56.960 -0.060 1
1 777 . 3 1 1 A 60 60 SER CB C 71 65.000 65.264 -0.264 1
1 778 . 3 1 1 A 60 60 SER N N 71 124.200 123.736 0.464 1
1 779 . 3 1 1 A 61 61 SER H H 72 8.630 8.539 0.091 1
1 780 . 3 1 1 A 61 61 SER HA H 72 5.380 4.748 0.632 1
1 783 . 3 1 1 A 61 61 SER C C 72 174.700 173.118 1.582 1
1 784 . 3 1 1 A 61 61 SER CA C 72 57.400 57.083 0.317 1
1 785 . 3 1 1 A 61 61 SER CB C 72 68.200 65.962 2.238 1
1 786 . 3 1 1 A 61 61 SER N N 72 116.900 119.662 -2.762 1
1 787 . 3 1 1 A 62 62 SER H H 73 8.810 8.714 0.096 1
1 788 . 3 1 1 A 62 62 SER HA H 73 4.570 4.637 -0.067 1
1 792 . 3 1 1 A 62 62 SER C C 73 175.000 175.995 -0.995 1
1 793 . 3 1 1 A 62 62 SER CA C 73 57.600 57.273 0.327 1
1 794 . 3 1 1 A 62 62 SER CB C 73 65.400 65.264 0.136 1
1 795 . 3 1 1 A 62 62 SER N N 73 117.000 116.250 0.750 1
1 796 . 3 1 1 A 63 63 GLU H H 74 9.240 9.063 0.177 1
1 797 . 3 1 1 A 63 63 GLU HA H 74 4.140 4.055 0.085 1
1 802 . 3 1 1 A 63 63 GLU C C 74 179.000 178.547 0.453 1
1 803 . 3 1 1 A 63 63 GLU CA C 74 60.100 60.020 0.080 1
1 804 . 3 1 1 A 63 63 GLU CB C 74 29.600 29.417 0.183 1
1 806 . 3 1 1 A 63 63 GLU N N 74 123.600 120.723 2.877 1
1 807 . 3 1 1 A 64 64 GLU H H 75 8.970 8.099 0.871 1
1 808 . 3 1 1 A 64 64 GLU HA H 75 3.950 4.096 -0.146 1
1 813 . 3 1 1 A 64 64 GLU C C 75 179.000 178.693 0.307 1
1 814 . 3 1 1 A 64 64 GLU CA C 75 60.100 59.175 0.925 1
1 815 . 3 1 1 A 64 64 GLU CB C 75 29.500 29.452 0.048 1
1 817 . 3 1 1 A 64 64 GLU N N 75 117.000 120.775 -3.775 1
1 818 . 3 1 1 A 65 65 LEU H H 76 7.740 7.671 0.069 1
1 819 . 3 1 1 A 65 65 LEU HA H 76 4.330 4.379 -0.049 1
1 829 . 3 1 1 A 65 65 LEU C C 76 178.900 178.261 0.639 1
1 830 . 3 1 1 A 65 65 LEU CA C 76 57.500 56.874 0.626 1
1 831 . 3 1 1 A 65 65 LEU CB C 76 41.800 42.849 -1.049 1
1 835 . 3 1 1 A 65 65 LEU N N 76 119.900 121.339 -1.439 1
1 836 . 3 1 1 A 66 66 ASP H H 77 8.620 8.389 0.231 1
1 837 . 3 1 1 A 66 66 ASP HA H 77 4.580 4.583 -0.003 1
1 840 . 3 1 1 A 66 66 ASP C C 77 178.800 178.513 0.287 1
1 841 . 3 1 1 A 66 66 ASP CA C 77 58.300 57.814 0.486 1
1 842 . 3 1 1 A 66 66 ASP CB C 77 42.100 41.172 0.928 1
1 843 . 3 1 1 A 66 66 ASP N N 77 120.300 119.713 0.587 1
1 844 . 3 1 1 A 67 67 LYS H H 78 7.210 8.023 -0.813 1
1 845 . 3 1 1 A 67 67 LYS HA H 78 4.240 4.275 -0.035 1
1 854 . 3 1 1 A 67 67 LYS C C 78 177.400 177.610 -0.210 1
1 855 . 3 1 1 A 67 67 LYS CA C 78 58.000 58.709 -0.709 1
1 856 . 3 1 1 A 67 67 LYS CB C 78 33.000 31.479 1.521 1
1 860 . 3 1 1 A 67 67 LYS N N 78 113.200 117.858 -4.658 1
1 861 . 3 1 1 A 68 68 MET H H 79 8.210 8.081 0.129 1
1 862 . 3 1 1 A 68 68 MET HA H 79 4.270 4.592 -0.322 1
1 870 . 3 1 1 A 68 68 MET C C 79 176.800 176.017 0.783 1
1 871 . 3 1 1 A 68 68 MET CA C 79 56.800 55.174 1.626 1
1 872 . 3 1 1 A 68 68 MET CB C 79 33.900 31.185 2.715 1
1 875 . 3 1 1 A 68 68 MET N N 79 116.400 118.050 -1.650 1
1 876 . 3 1 1 A 69 69 PHE H H 80 7.330 7.766 -0.436 1
1 877 . 3 1 1 A 69 69 PHE HA H 80 4.300 4.657 -0.357 1
1 882 . 3 1 1 A 69 69 PHE C C 80 176.900 175.536 1.364 1
1 883 . 3 1 1 A 69 69 PHE CA C 80 59.300 57.757 1.543 1
1 884 . 3 1 1 A 69 69 PHE CB C 80 40.600 39.590 1.010 1
1 887 . 3 1 1 A 69 69 PHE N N 80 118.100 119.757 -1.657 1
1 888 . 3 1 1 A 70 70 GLN H H 81 8.540 8.707 -0.167 1
1 889 . 3 1 1 A 70 70 GLN HA H 81 4.450 4.577 -0.127 1
1 896 . 3 1 1 A 70 70 GLN C C 81 174.200 175.783 -1.583 1
1 897 . 3 1 1 A 70 70 GLN CA C 81 55.000 56.193 -1.193 1
1 898 . 3 1 1 A 70 70 GLN CB C 81 29.400 29.682 -0.282 1
1 901 . 3 1 1 A 70 70 GLN N N 81 121.600 122.667 -1.067 1
1 903 . 3 1 1 A 71 71 GLU H H 82 8.340 7.632 0.708 1
1 904 . 3 1 1 A 71 71 GLU HA H 82 4.780 4.787 -0.007 1
1 909 . 3 1 1 A 71 71 GLU CA C 82 53.100 53.123 -0.023 1
1 910 . 3 1 1 A 71 71 GLU CB C 82 30.600 31.150 -0.550 1
1 912 . 3 1 1 A 71 71 GLU N N 82 122.900 118.135 4.765 1
1 913 . 3 1 1 A 72 72 PRO HA H 83 4.880 4.487 0.393 1
1 920 . 3 1 1 A 72 72 PRO C C 83 176.200 176.910 -0.710 1
1 921 . 3 1 1 A 72 72 PRO CA C 83 62.100 62.894 -0.794 1
1 922 . 3 1 1 A 72 72 PRO CB C 83 33.800 32.061 1.739 1
1 925 . 3 1 1 A 73 73 ARG H H 84 8.580 8.217 0.363 1
1 926 . 3 1 1 A 73 73 ARG HA H 84 4.390 4.166 0.224 1
1 934 . 3 1 1 A 73 73 ARG C C 84 176.000 176.107 -0.107 1
1 935 . 3 1 1 A 73 73 ARG CA C 84 56.000 56.085 -0.085 1
1 936 . 3 1 1 A 73 73 ARG CB C 84 31.100 30.119 0.981 1
1 940 . 3 1 1 A 73 73 ARG N N 84 123.400 119.307 4.093 1
1 942 . 3 1 1 A 74 74 LYS H H 85 9.080 8.988 0.092 1
1 943 . 3 1 1 A 74 74 LYS HA H 85 4.540 5.150 -0.610 1
1 952 . 3 1 1 A 74 74 LYS C C 85 176.500 176.772 -0.272 1
1 953 . 3 1 1 A 74 74 LYS CA C 85 55.000 54.599 0.401 1
1 954 . 3 1 1 A 74 74 LYS CB C 85 34.900 36.154 -1.254 1
1 958 . 3 1 1 A 74 74 LYS N N 85 123.300 123.937 -0.637 1
1 959 . 3 1 1 A 75 75 GLY H H 86 8.870 8.690 0.180 1
1 960 . 3 1 1 A 75 75 GLY HA2 H 86 3.930 4.159 -0.229 1
1 961 . 3 1 1 A 75 75 GLY HA3 H 86 4.350 4.162 0.188 1
1 962 . 3 1 1 A 75 75 GLY C C 86 174.000 175.112 -1.112 1
1 963 . 3 1 1 A 75 75 GLY CA C 86 44.600 45.182 -0.582 1
1 964 . 3 1 1 A 75 75 GLY N N 86 108.700 110.357 -1.657 1
1 965 . 3 1 1 A 76 76 TYR H H 87 8.880 9.224 -0.344 1
1 966 . 3 1 1 A 76 76 TYR HA H 87 3.930 4.165 -0.235 1
1 973 . 3 1 1 A 76 76 TYR C C 87 175.800 177.010 -1.210 1
1 974 . 3 1 1 A 76 76 TYR CA C 87 62.900 61.442 1.458 1
1 975 . 3 1 1 A 76 76 TYR CB C 87 38.700 39.047 -0.347 1
1 980 . 3 1 1 A 76 76 TYR N N 87 120.400 121.187 -0.787 1
1 981 . 3 1 1 A 77 77 ASP H H 88 8.450 8.171 0.279 1
1 982 . 3 1 1 A 77 77 ASP HA H 88 4.000 4.069 -0.069 1
1 985 . 3 1 1 A 77 77 ASP C C 88 178.200 178.555 -0.355 1
1 986 . 3 1 1 A 77 77 ASP CA C 88 57.000 57.158 -0.158 1
1 987 . 3 1 1 A 77 77 ASP CB C 88 39.600 40.124 -0.524 1
1 988 . 3 1 1 A 77 77 ASP N N 88 115.800 119.379 -3.579 1
1 989 . 3 1 1 A 78 78 GLU H H 89 7.520 8.341 -0.821 1
1 990 . 3 1 1 A 78 78 GLU HA H 89 4.020 4.001 0.019 1
1 995 . 3 1 1 A 78 78 GLU C C 89 178.500 178.989 -0.489 1
1 996 . 3 1 1 A 78 78 GLU CA C 89 58.500 59.021 -0.521 1
1 997 . 3 1 1 A 78 78 GLU CB C 89 30.100 29.592 0.508 1
1 999 . 3 1 1 A 78 78 GLU N N 89 119.600 119.436 0.164 1
1 1000 . 3 1 1 A 79 79 ILE H H 90 7.850 7.629 0.221 1
1 1001 . 3 1 1 A 79 79 ILE HA H 90 3.300 3.841 -0.541 1
1 1011 . 3 1 1 A 79 79 ILE C C 90 177.700 177.888 -0.188 1
1 1012 . 3 1 1 A 79 79 ILE CA C 90 64.600 64.368 0.232 1
1 1013 . 3 1 1 A 79 79 ILE CB C 90 37.700 37.145 0.555 1
1 1017 . 3 1 1 A 79 79 ILE N N 90 121.700 120.128 1.572 1
1 1018 . 3 1 1 A 80 80 LEU H H 91 7.710 7.847 -0.137 1
1 1019 . 3 1 1 A 80 80 LEU HA H 91 3.780 3.896 -0.116 1
1 1029 . 3 1 1 A 80 80 LEU C C 91 178.600 178.618 -0.018 1
1 1030 . 3 1 1 A 80 80 LEU CA C 91 56.900 58.456 -1.556 1
1 1031 . 3 1 1 A 80 80 LEU CB C 91 41.600 41.258 0.342 1
1 1035 . 3 1 1 A 80 80 LEU N N 91 120.500 123.493 -2.993 1
1 1036 . 3 1 1 A 81 81 GLU H H 92 7.620 7.804 -0.184 1
1 1037 . 3 1 1 A 81 81 GLU HA H 92 3.960 3.999 -0.039 1
1 1042 . 3 1 1 A 81 81 GLU C C 92 177.400 177.263 0.137 1
1 1043 . 3 1 1 A 81 81 GLU CA C 92 58.300 59.350 -1.050 1
1 1044 . 3 1 1 A 81 81 GLU CB C 92 29.700 29.724 -0.024 1
1 1046 . 3 1 1 A 81 81 GLU N N 92 118.100 118.156 -0.056 1
1 1047 . 3 1 1 A 82 82 HIS H H 93 7.840 7.851 -0.011 1
1 1048 . 3 1 1 A 82 82 HIS HA H 93 4.440 4.401 0.039 1
1 1051 . 3 1 1 A 82 82 HIS C C 93 175.600 173.830 1.770 1
1 1052 . 3 1 1 A 82 82 HIS CA C 93 57.000 58.278 -1.278 1
1 1053 . 3 1 1 A 82 82 HIS CB C 93 29.800 29.426 0.374 1
1 1054 . 3 1 1 A 82 82 HIS N N 93 116.900 118.356 -1.456 1
1 1055 . 3 1 1 A 83 83 HIS H H 94 8.080 8.302 -0.222 1
1 1056 . 3 1 1 A 83 83 HIS HA H 94 4.480 5.268 -0.788 1
1 1059 . 3 1 1 A 83 83 HIS CA C 94 56.700 54.620 2.080 1
1 1060 . 3 1 1 A 83 83 HIS CB C 94 29.900 33.714 -3.814 1
1 1 . 4 1 1 A 2 2 PHE HA H 13 4.400 4.005 0.395 1
1 9 . 4 1 1 A 2 2 PHE C C 13 176.400 178.097 -1.697 1
1 10 . 4 1 1 A 2 2 PHE CA C 13 60.700 61.200 -0.500 1
1 11 . 4 1 1 A 2 2 PHE CB C 13 39.700 38.380 1.320 1
1 17 . 4 1 1 A 3 3 PHE H H 14 9.000 8.206 0.794 1
1 18 . 4 1 1 A 3 3 PHE HA H 14 4.000 4.108 -0.108 1
1 25 . 4 1 1 A 3 3 PHE C C 14 177.400 177.843 -0.443 1
1 26 . 4 1 1 A 3 3 PHE CA C 14 61.400 62.365 -0.965 1
1 27 . 4 1 1 A 3 3 PHE CB C 14 38.400 38.450 -0.050 1
1 32 . 4 1 1 A 3 3 PHE N N 14 118.700 117.994 0.706 1
1 33 . 4 1 1 A 4 4 ASN H H 15 8.000 8.481 -0.481 1
1 34 . 4 1 1 A 4 4 ASN HA H 15 4.250 4.309 -0.059 1
1 39 . 4 1 1 A 4 4 ASN C C 15 177.300 177.538 -0.238 1
1 40 . 4 1 1 A 4 4 ASN CA C 15 56.400 56.917 -0.517 1
1 41 . 4 1 1 A 4 4 ASN CB C 15 38.000 39.258 -1.258 1
1 43 . 4 1 1 A 4 4 ASN N N 15 118.300 118.259 0.041 1
1 45 . 4 1 1 A 5 5 GLU H H 16 8.080 7.814 0.266 1
1 46 . 4 1 1 A 5 5 GLU HA H 16 3.970 3.998 -0.028 1
1 51 . 4 1 1 A 5 5 GLU C C 16 179.600 179.061 0.539 1
1 52 . 4 1 1 A 5 5 GLU CA C 16 59.200 58.986 0.214 1
1 53 . 4 1 1 A 5 5 GLU CB C 16 29.400 29.281 0.119 1
1 55 . 4 1 1 A 5 5 GLU N N 16 120.400 118.814 1.586 1
1 56 . 4 1 1 A 6 6 GLN H H 17 7.930 7.750 0.180 1
1 57 . 4 1 1 A 6 6 GLN HA H 17 3.560 3.950 -0.390 1
1 64 . 4 1 1 A 6 6 GLN CA C 17 58.600 58.621 -0.021 1
1 65 . 4 1 1 A 6 6 GLN CB C 17 28.100 28.155 -0.055 1
1 68 . 4 1 1 A 6 6 GLN N N 17 117.900 119.444 -1.544 1
1 70 . 4 1 1 A 7 7 LYS H H 18 8.120 7.414 0.706 1
1 71 . 4 1 1 A 7 7 LYS HA H 18 3.350 3.483 -0.133 1
1 80 . 4 1 1 A 7 7 LYS C C 18 179.900 179.569 0.331 1
1 81 . 4 1 1 A 7 7 LYS CA C 18 60.600 59.334 1.266 1
1 82 . 4 1 1 A 7 7 LYS CB C 18 32.000 31.382 0.618 1
1 86 . 4 1 1 A 7 7 LYS N N 18 118.800 120.172 -1.372 1
1 87 . 4 1 1 A 8 8 GLU H H 19 7.740 7.863 -0.123 1
1 88 . 4 1 1 A 8 8 GLU HA H 19 4.040 4.145 -0.105 1
1 93 . 4 1 1 A 8 8 GLU C C 19 179.000 179.257 -0.257 1
1 94 . 4 1 1 A 8 8 GLU CA C 19 59.800 58.851 0.949 1
1 95 . 4 1 1 A 8 8 GLU CB C 19 29.100 29.464 -0.364 1
1 97 . 4 1 1 A 8 8 GLU N N 19 121.300 120.221 1.079 1
1 98 . 4 1 1 A 9 9 LYS H H 20 7.500 7.544 -0.044 1
1 99 . 4 1 1 A 9 9 LYS HA H 20 3.950 3.930 0.020 1
1 108 . 4 1 1 A 9 9 LYS C C 20 178.100 179.473 -1.373 1
1 109 . 4 1 1 A 9 9 LYS CA C 20 60.500 59.335 1.165 1
1 110 . 4 1 1 A 9 9 LYS CB C 20 32.200 31.962 0.238 1
1 114 . 4 1 1 A 9 9 LYS N N 20 120.100 119.212 0.888 1
1 115 . 4 1 1 A 10 10 VAL H H 21 8.030 7.958 0.072 1
1 116 . 4 1 1 A 10 10 VAL HA H 21 3.410 3.508 -0.098 1
1 124 . 4 1 1 A 10 10 VAL C C 21 177.400 178.048 -0.648 1
1 125 . 4 1 1 A 10 10 VAL CA C 21 66.600 66.198 0.402 1
1 126 . 4 1 1 A 10 10 VAL CB C 21 31.800 31.734 0.066 1
1 129 . 4 1 1 A 10 10 VAL N N 21 117.300 119.819 -2.519 1
1 130 . 4 1 1 A 11 11 THR H H 22 8.230 8.075 0.155 1
1 131 . 4 1 1 A 11 11 THR HA H 22 3.580 3.741 -0.161 1
1 137 . 4 1 1 A 11 11 THR C C 22 174.700 176.276 -1.576 1
1 138 . 4 1 1 A 11 11 THR CA C 22 68.700 66.995 1.705 1
1 139 . 4 1 1 A 11 11 THR CB C 22 68.500 68.972 -0.472 1
1 141 . 4 1 1 A 11 11 THR N N 22 115.700 117.424 -1.724 1
1 142 . 4 1 1 A 12 12 LEU H H 23 7.780 8.097 -0.317 1
1 143 . 4 1 1 A 12 12 LEU HA H 23 3.930 3.887 0.043 1
1 153 . 4 1 1 A 12 12 LEU C C 23 178.400 178.188 0.212 1
1 154 . 4 1 1 A 12 12 LEU CA C 23 58.500 58.002 0.498 1
1 155 . 4 1 1 A 12 12 LEU CB C 23 42.300 41.593 0.707 1
1 159 . 4 1 1 A 12 12 LEU N N 23 121.400 121.277 0.123 1
1 160 . 4 1 1 A 13 13 TYR H H 24 7.970 8.682 -0.712 1
1 161 . 4 1 1 A 13 13 TYR HA H 24 3.910 4.006 -0.096 1
1 168 . 4 1 1 A 13 13 TYR C C 24 177.400 177.093 0.307 1
1 169 . 4 1 1 A 13 13 TYR CA C 24 61.700 61.399 0.301 1
1 170 . 4 1 1 A 13 13 TYR CB C 24 39.400 38.589 0.811 1
1 175 . 4 1 1 A 13 13 TYR N N 24 119.100 119.502 -0.402 1
1 176 . 4 1 1 A 14 14 LEU H H 25 8.230 8.673 -0.443 1
1 177 . 4 1 1 A 14 14 LEU HA H 25 3.400 3.786 -0.386 1
1 187 . 4 1 1 A 14 14 LEU C C 25 177.200 179.042 -1.842 1
1 188 . 4 1 1 A 14 14 LEU CA C 25 57.600 57.793 -0.193 1
1 189 . 4 1 1 A 14 14 LEU CB C 25 42.200 40.950 1.250 1
1 193 . 4 1 1 A 14 14 LEU N N 25 119.600 119.840 -0.240 1
1 194 . 4 1 1 A 15 15 LYS H H 26 8.010 8.147 -0.137 1
1 195 . 4 1 1 A 15 15 LYS HA H 26 3.230 3.863 -0.633 1
1 204 . 4 1 1 A 15 15 LYS C C 26 178.800 179.021 -0.221 1
1 205 . 4 1 1 A 15 15 LYS CA C 26 59.000 59.193 -0.193 1
1 206 . 4 1 1 A 15 15 LYS CB C 26 32.600 32.177 0.423 1
1 210 . 4 1 1 A 15 15 LYS N N 26 117.000 120.026 -3.026 1
1 211 . 4 1 1 A 16 16 HIS H H 27 7.890 7.848 0.042 1
1 212 . 4 1 1 A 16 16 HIS HA H 27 4.030 4.249 -0.219 1
1 217 . 4 1 1 A 16 16 HIS C C 27 175.900 176.884 -0.984 1
1 218 . 4 1 1 A 16 16 HIS CA C 27 59.000 60.026 -1.026 1
1 219 . 4 1 1 A 16 16 HIS CB C 27 30.900 30.671 0.229 1
1 222 . 4 1 1 A 16 16 HIS N N 27 113.200 117.897 -4.697 1
1 223 . 4 1 1 A 17 17 ASN H H 28 6.950 7.412 -0.462 1
1 224 . 4 1 1 A 17 17 ASN HA H 28 4.900 4.665 0.235 1
1 229 . 4 1 1 A 17 17 ASN C C 28 172.900 174.709 -1.809 1
1 230 . 4 1 1 A 17 17 ASN CA C 28 54.100 53.828 0.272 1
1 231 . 4 1 1 A 17 17 ASN CB C 28 42.500 38.986 3.514 1
1 233 . 4 1 1 A 17 17 ASN N N 28 112.200 113.828 -1.628 1
1 235 . 4 1 1 A 18 18 ILE H H 29 7.310 7.650 -0.340 1
1 236 . 4 1 1 A 18 18 ILE HA H 29 4.560 4.683 -0.123 1
1 246 . 4 1 1 A 18 18 ILE CA C 29 58.000 58.180 -0.180 1
1 247 . 4 1 1 A 18 18 ILE CB C 29 38.000 39.411 -1.411 1
1 251 . 4 1 1 A 18 18 ILE N N 29 119.300 118.811 0.489 1
1 252 . 4 1 1 A 19 19 PRO HA H 30 4.170 4.555 -0.385 1
1 259 . 4 1 1 A 19 19 PRO C C 30 178.000 177.274 0.726 1
1 260 . 4 1 1 A 19 19 PRO CA C 30 65.700 64.502 1.198 1
1 261 . 4 1 1 A 19 19 PRO CB C 30 32.100 31.875 0.225 1
1 264 . 4 1 1 A 20 20 ASP H H 31 8.470 8.248 0.222 1
1 265 . 4 1 1 A 20 20 ASP HA H 31 4.790 4.791 -0.001 1
1 268 . 4 1 1 A 20 20 ASP C C 31 175.600 175.882 -0.282 1
1 269 . 4 1 1 A 20 20 ASP CA C 31 53.800 53.967 -0.167 1
1 270 . 4 1 1 A 20 20 ASP CB C 31 39.600 41.232 -1.632 1
1 271 . 4 1 1 A 20 20 ASP N N 31 113.700 117.321 -3.621 1
1 272 . 4 1 1 A 21 21 PHE H H 32 7.890 7.463 0.427 1
1 273 . 4 1 1 A 21 21 PHE HA H 32 3.810 4.428 -0.618 1
1 281 . 4 1 1 A 21 21 PHE C C 32 174.200 174.936 -0.736 1
1 282 . 4 1 1 A 21 21 PHE CA C 32 61.100 59.635 1.465 1
1 283 . 4 1 1 A 21 21 PHE CB C 32 39.900 39.803 0.097 1
1 289 . 4 1 1 A 21 21 PHE N N 32 122.200 123.544 -1.344 1
1 290 . 4 1 1 A 22 22 ASN H H 33 9.380 7.789 1.591 1
1 291 . 4 1 1 A 22 22 ASN HA H 33 4.680 4.526 0.154 1
1 296 . 4 1 1 A 22 22 ASN C C 33 173.600 173.610 -0.010 1
1 297 . 4 1 1 A 22 22 ASN CA C 33 54.600 54.128 0.472 1
1 298 . 4 1 1 A 22 22 ASN CB C 33 41.700 41.245 0.455 1
1 300 . 4 1 1 A 22 22 ASN N N 33 126.600 122.280 4.320 1
1 302 . 4 1 1 A 23 23 THR H H 34 7.010 6.944 0.066 1
1 303 . 4 1 1 A 23 23 THR HA H 34 4.280 4.529 -0.249 1
1 308 . 4 1 1 A 23 23 THR C C 34 171.100 171.795 -0.695 1
1 309 . 4 1 1 A 23 23 THR CA C 34 60.300 60.487 -0.187 1
1 310 . 4 1 1 A 23 23 THR CB C 34 71.100 70.956 0.144 1
1 312 . 4 1 1 A 23 23 THR N N 34 109.600 110.926 -1.326 1
1 313 . 4 1 1 A 24 24 VAL H H 35 8.290 9.067 -0.777 1
1 314 . 4 1 1 A 24 24 VAL HA H 35 4.850 5.188 -0.338 1
1 322 . 4 1 1 A 24 24 VAL C C 35 171.400 173.290 -1.890 1
1 323 . 4 1 1 A 24 24 VAL CA C 35 59.300 60.023 -0.723 1
1 324 . 4 1 1 A 24 24 VAL CB C 35 35.500 35.273 0.227 1
1 327 . 4 1 1 A 24 24 VAL N N 35 119.500 124.246 -4.746 1
1 328 . 4 1 1 A 25 25 THR H H 36 8.200 8.727 -0.527 1
1 329 . 4 1 1 A 25 25 THR HA H 36 4.150 4.667 -0.517 1
1 334 . 4 1 1 A 25 25 THR C C 36 171.900 173.319 -1.419 1
1 335 . 4 1 1 A 25 25 THR CA C 36 61.100 61.361 -0.261 1
1 336 . 4 1 1 A 25 25 THR CB C 36 70.900 69.080 1.820 1
1 338 . 4 1 1 A 25 25 THR N N 36 125.200 123.210 1.990 1
1 339 . 4 1 1 A 26 26 PHE H H 37 8.900 8.980 -0.080 1
1 340 . 4 1 1 A 26 26 PHE HA H 37 5.140 4.868 0.272 1
1 348 . 4 1 1 A 26 26 PHE C C 37 176.900 175.536 1.364 1
1 349 . 4 1 1 A 26 26 PHE CA C 37 58.100 57.832 0.268 1
1 350 . 4 1 1 A 26 26 PHE CB C 37 39.900 40.785 -0.885 1
1 356 . 4 1 1 A 26 26 PHE N N 37 124.500 126.668 -2.168 1
1 357 . 4 1 1 A 27 27 THR H H 38 9.090 8.919 0.171 1
1 358 . 4 1 1 A 27 27 THR HA H 38 4.430 5.056 -0.626 1
1 363 . 4 1 1 A 27 27 THR C C 38 174.800 174.094 0.706 1
1 364 . 4 1 1 A 27 27 THR CA C 38 61.600 60.563 1.037 1
1 365 . 4 1 1 A 27 27 THR CB C 38 69.400 71.186 -1.786 1
1 367 . 4 1 1 A 27 27 THR N N 38 114.000 113.264 0.736 1
1 368 . 4 1 1 A 28 28 ASN H H 39 7.880 8.817 -0.937 1
1 369 . 4 1 1 A 28 28 ASN HA H 39 4.780 4.329 0.451 1
1 374 . 4 1 1 A 28 28 ASN C C 39 173.700 175.401 -1.701 1
1 375 . 4 1 1 A 28 28 ASN CA C 39 54.100 55.565 -1.465 1
1 376 . 4 1 1 A 28 28 ASN CB C 39 40.800 38.633 2.167 1
1 378 . 4 1 1 A 28 28 ASN N N 39 118.900 124.825 -5.925 1
1 380 . 4 1 1 A 29 29 GLU H H 40 8.150 8.142 0.008 1
1 381 . 4 1 1 A 29 29 GLU HA H 40 4.560 3.936 0.624 1
1 386 . 4 1 1 A 29 29 GLU C C 40 174.800 175.474 -0.674 1
1 387 . 4 1 1 A 29 29 GLU CA C 40 55.600 57.059 -1.459 1
1 388 . 4 1 1 A 29 29 GLU CB C 40 30.500 28.868 1.632 1
1 390 . 4 1 1 A 29 29 GLU N N 40 121.700 119.921 1.779 1
1 391 . 4 1 1 A 30 30 GLU H H 41 8.410 8.608 -0.198 1
1 392 . 4 1 1 A 30 30 GLU HA H 41 4.410 4.426 -0.016 1
1 397 . 4 1 1 A 30 30 GLU C C 41 175.100 174.246 0.854 1
1 398 . 4 1 1 A 30 30 GLU CA C 41 55.400 56.785 -1.385 1
1 399 . 4 1 1 A 30 30 GLU CB C 41 32.200 28.658 3.542 1
1 401 . 4 1 1 A 30 30 GLU N N 41 120.500 125.441 -4.941 1
1 402 . 4 1 1 A 31 31 PHE H H 42 8.570 9.256 -0.686 1
1 403 . 4 1 1 A 31 31 PHE HA H 42 4.820 5.003 -0.183 1
1 411 . 4 1 1 A 31 31 PHE C C 42 174.800 175.271 -0.471 1
1 412 . 4 1 1 A 31 31 PHE CA C 42 57.800 56.293 1.507 1
1 413 . 4 1 1 A 31 31 PHE CB C 42 40.200 43.343 -3.143 1
1 419 . 4 1 1 A 31 31 PHE N N 42 120.700 123.012 -2.312 1
1 420 . 4 1 1 A 32 32 ASN H H 43 8.350 8.887 -0.537 1
1 421 . 4 1 1 A 32 32 ASN HA H 43 4.950 4.957 -0.007 1
1 426 . 4 1 1 A 32 32 ASN CA C 43 51.600 51.905 -0.305 1
1 427 . 4 1 1 A 32 32 ASN CB C 43 39.300 37.819 1.481 1
1 429 . 4 1 1 A 32 32 ASN N N 43 122.000 120.634 1.366 1
1 431 . 4 1 1 A 33 33 PRO HA H 44 4.260 4.313 -0.053 1
1 438 . 4 1 1 A 33 33 PRO C C 44 177.400 178.489 -1.089 1
1 439 . 4 1 1 A 33 33 PRO CA C 44 65.300 66.024 -0.724 1
1 440 . 4 1 1 A 33 33 PRO CB C 44 32.200 31.454 0.746 1
1 443 . 4 1 1 A 34 34 ILE H H 45 7.840 8.061 -0.221 1
1 444 . 4 1 1 A 34 34 ILE HA H 45 4.240 4.234 0.006 1
1 454 . 4 1 1 A 34 34 ILE C C 45 176.400 176.095 0.305 1
1 455 . 4 1 1 A 34 34 ILE CA C 45 61.000 62.228 -1.228 1
1 456 . 4 1 1 A 34 34 ILE CB C 45 38.600 39.173 -0.573 1
1 460 . 4 1 1 A 34 34 ILE N N 45 113.700 115.498 -1.798 1
1 461 . 4 1 1 A 35 35 GLY H H 46 7.860 7.834 0.026 1
1 462 . 4 1 1 A 35 35 GLY HA2 H 46 3.870 3.986 -0.116 1
1 463 . 4 1 1 A 35 35 GLY HA3 H 46 4.130 4.013 0.117 1
1 464 . 4 1 1 A 35 35 GLY C C 46 172.700 172.991 -0.291 1
1 465 . 4 1 1 A 35 35 GLY CA C 46 45.900 44.135 1.765 1
1 466 . 4 1 1 A 35 35 GLY N N 46 111.900 109.745 2.155 1
1 467 . 4 1 1 A 36 36 ILE H H 47 8.180 8.417 -0.237 1
1 468 . 4 1 1 A 36 36 ILE HA H 47 4.720 5.304 -0.584 1
1 478 . 4 1 1 A 36 36 ILE C C 47 174.900 173.919 0.981 1
1 479 . 4 1 1 A 36 36 ILE CA C 47 60.500 59.043 1.457 1
1 480 . 4 1 1 A 36 36 ILE CB C 47 40.800 41.160 -0.360 1
1 484 . 4 1 1 A 36 36 ILE N N 47 118.300 118.718 -0.418 1
1 485 . 4 1 1 A 37 37 SER H H 48 8.430 9.118 -0.688 1
1 486 . 4 1 1 A 37 37 SER HA H 48 4.990 5.432 -0.442 1
1 489 . 4 1 1 A 37 37 SER C C 48 172.900 173.060 -0.160 1
1 490 . 4 1 1 A 37 37 SER CA C 48 57.800 56.428 1.372 1
1 491 . 4 1 1 A 37 37 SER CB C 48 65.600 64.577 1.023 1
1 492 . 4 1 1 A 37 37 SER N N 48 116.700 119.425 -2.725 1
1 493 . 4 1 1 A 38 38 ILE H H 49 9.150 9.338 -0.188 1
1 494 . 4 1 1 A 38 38 ILE HA H 49 4.720 4.767 -0.047 1
1 504 . 4 1 1 A 38 38 ILE C C 49 173.900 174.302 -0.402 1
1 505 . 4 1 1 A 38 38 ILE CA C 49 60.600 60.137 0.463 1
1 506 . 4 1 1 A 38 38 ILE CB C 49 41.000 40.224 0.776 1
1 510 . 4 1 1 A 38 38 ILE N N 49 124.300 128.360 -4.060 1
1 511 . 4 1 1 A 39 39 ASP H H 50 8.700 9.034 -0.334 1
1 512 . 4 1 1 A 39 39 ASP HA H 50 5.540 5.504 0.036 1
1 515 . 4 1 1 A 39 39 ASP C C 50 176.200 174.826 1.374 1
1 516 . 4 1 1 A 39 39 ASP CA C 50 52.300 52.173 0.127 1
1 517 . 4 1 1 A 39 39 ASP CB C 50 44.300 44.436 -0.136 1
1 518 . 4 1 1 A 39 39 ASP N N 50 126.600 128.348 -1.748 1
1 519 . 4 1 1 A 40 40 GLY H H 51 7.100 7.380 -0.280 1
1 520 . 4 1 1 A 40 40 GLY HA2 H 51 3.780 3.641 0.139 1
1 521 . 4 1 1 A 40 40 GLY HA3 H 51 4.070 4.012 0.058 1
1 522 . 4 1 1 A 40 40 GLY C C 51 170.100 170.889 -0.789 1
1 523 . 4 1 1 A 40 40 GLY CA C 51 47.200 45.700 1.500 1
1 524 . 4 1 1 A 40 40 GLY N N 51 106.400 109.274 -2.874 1
1 525 . 4 1 1 A 41 41 TYR H H 52 8.390 8.210 0.180 1
1 526 . 4 1 1 A 41 41 TYR HA H 52 5.530 5.901 -0.371 1
1 533 . 4 1 1 A 41 41 TYR C C 52 175.200 173.272 1.928 1
1 534 . 4 1 1 A 41 41 TYR CA C 52 56.000 56.144 -0.144 1
1 535 . 4 1 1 A 41 41 TYR CB C 52 39.200 41.607 -2.407 1
1 540 . 4 1 1 A 41 41 TYR N N 52 113.900 114.660 -0.760 1
1 541 . 4 1 1 A 42 42 ILE H H 53 8.420 8.474 -0.054 1
1 542 . 4 1 1 A 42 42 ILE HA H 53 5.450 5.042 0.408 1
1 552 . 4 1 1 A 42 42 ILE C C 53 174.500 175.244 -0.744 1
1 553 . 4 1 1 A 42 42 ILE CA C 53 59.300 59.499 -0.199 1
1 554 . 4 1 1 A 42 42 ILE CB C 53 40.700 41.004 -0.304 1
1 558 . 4 1 1 A 42 42 ILE N N 53 113.200 117.230 -4.030 1
1 559 . 4 1 1 A 43 43 ASN H H 54 8.760 9.367 -0.607 1
1 560 . 4 1 1 A 43 43 ASN HA H 54 4.120 4.418 -0.298 1
1 565 . 4 1 1 A 43 43 ASN C C 54 173.900 175.356 -1.456 1
1 566 . 4 1 1 A 43 43 ASN CA C 54 53.300 54.639 -1.339 1
1 567 . 4 1 1 A 43 43 ASN CB C 54 35.500 36.964 -1.464 1
1 569 . 4 1 1 A 43 43 ASN N N 54 116.700 119.042 -2.342 1
1 571 . 4 1 1 A 44 44 ASN H H 55 9.270 8.869 0.401 1
1 572 . 4 1 1 A 44 44 ASN HA H 55 4.260 4.710 -0.450 1
1 577 . 4 1 1 A 44 44 ASN C C 55 173.600 173.906 -0.306 1
1 578 . 4 1 1 A 44 44 ASN CA C 55 54.800 54.249 0.551 1
1 579 . 4 1 1 A 44 44 ASN CB C 55 38.100 36.419 1.681 1
1 581 . 4 1 1 A 44 44 ASN N N 55 110.300 114.780 -4.480 1
1 583 . 4 1 1 A 45 45 ASP H H 56 8.100 8.281 -0.181 1
1 584 . 4 1 1 A 45 45 ASP HA H 56 4.760 4.892 -0.132 1
1 587 . 4 1 1 A 45 45 ASP C C 56 175.900 176.265 -0.365 1
1 588 . 4 1 1 A 45 45 ASP CA C 56 52.600 53.475 -0.875 1
1 589 . 4 1 1 A 45 45 ASP CB C 56 42.000 41.649 0.351 1
1 590 . 4 1 1 A 45 45 ASP N N 56 119.500 120.347 -0.847 1
1 591 . 4 1 1 A 46 46 LYS H H 57 8.260 8.759 -0.499 1
1 592 . 4 1 1 A 46 46 LYS HA H 57 2.760 3.609 -0.849 1
1 601 . 4 1 1 A 46 46 LYS C C 57 177.100 178.508 -1.408 1
1 602 . 4 1 1 A 46 46 LYS CA C 57 58.400 59.342 -0.942 1
1 603 . 4 1 1 A 46 46 LYS CB C 57 31.700 31.903 -0.203 1
1 607 . 4 1 1 A 46 46 LYS N N 57 124.100 125.421 -1.321 1
1 608 . 4 1 1 A 47 47 ASN H H 58 8.610 8.100 0.510 1
1 609 . 4 1 1 A 47 47 ASN HA H 58 4.620 4.564 0.056 1
1 614 . 4 1 1 A 47 47 ASN C C 58 177.000 176.956 0.044 1
1 615 . 4 1 1 A 47 47 ASN CA C 58 54.400 56.286 -1.886 1
1 616 . 4 1 1 A 47 47 ASN CB C 58 38.500 38.514 -0.014 1
1 618 . 4 1 1 A 47 47 ASN N N 58 114.800 117.471 -2.671 1
1 620 . 4 1 1 A 48 48 LEU H H 59 8.470 7.542 0.928 1
1 621 . 4 1 1 A 48 48 LEU HA H 59 4.470 4.567 -0.097 1
1 631 . 4 1 1 A 48 48 LEU C C 59 175.300 175.505 -0.205 1
1 632 . 4 1 1 A 48 48 LEU CA C 59 52.800 54.231 -1.431 1
1 633 . 4 1 1 A 48 48 LEU CB C 59 39.100 39.817 -0.717 1
1 637 . 4 1 1 A 48 48 LEU N N 59 125.800 119.888 5.912 1
1 638 . 4 1 1 A 49 49 SER H H 60 7.270 8.247 -0.977 1
1 639 . 4 1 1 A 49 49 SER HA H 60 5.230 5.172 0.058 1
1 642 . 4 1 1 A 49 49 SER C C 60 173.200 174.181 -0.981 1
1 643 . 4 1 1 A 49 49 SER CA C 60 56.900 57.419 -0.519 1
1 644 . 4 1 1 A 49 49 SER CB C 60 66.500 65.307 1.193 1
1 645 . 4 1 1 A 49 49 SER N N 60 112.400 115.476 -3.076 1
1 646 . 4 1 1 A 50 50 PHE H H 61 8.260 8.316 -0.056 1
1 647 . 4 1 1 A 50 50 PHE HA H 61 5.490 5.526 -0.036 1
1 655 . 4 1 1 A 50 50 PHE C C 61 174.500 173.083 1.417 1
1 656 . 4 1 1 A 50 50 PHE CA C 61 56.300 55.984 0.316 1
1 657 . 4 1 1 A 50 50 PHE CB C 61 44.600 42.467 2.133 1
1 663 . 4 1 1 A 50 50 PHE N N 61 114.200 117.432 -3.232 1
1 664 . 4 1 1 A 51 51 THR H H 62 8.520 8.771 -0.251 1
1 665 . 4 1 1 A 51 51 THR HA H 62 5.140 5.384 -0.244 1
1 670 . 4 1 1 A 51 51 THR C C 62 172.600 173.516 -0.916 1
1 671 . 4 1 1 A 51 51 THR CA C 62 62.000 61.091 0.909 1
1 672 . 4 1 1 A 51 51 THR CB C 62 72.000 72.347 -0.347 1
1 674 . 4 1 1 A 51 51 THR N N 62 116.000 115.277 0.723 1
1 675 . 4 1 1 A 52 52 ALA H H 63 9.870 9.134 0.736 1
1 676 . 4 1 1 A 52 52 ALA HA H 63 5.180 5.399 -0.219 1
1 680 . 4 1 1 A 52 52 ALA C C 63 176.300 176.071 0.229 1
1 681 . 4 1 1 A 52 52 ALA CA C 63 50.300 50.291 0.009 1
1 682 . 4 1 1 A 52 52 ALA CB C 63 24.000 22.136 1.864 1
1 683 . 4 1 1 A 52 52 ALA N N 63 130.400 128.114 2.286 1
1 684 . 4 1 1 A 53 53 GLY H H 64 8.340 8.658 -0.318 1
1 685 . 4 1 1 A 53 53 GLY HA2 H 64 3.630 4.086 -0.456 1
1 686 . 4 1 1 A 53 53 GLY HA3 H 64 4.830 4.088 0.742 1
1 687 . 4 1 1 A 53 53 GLY C C 64 173.200 174.655 -1.455 1
1 688 . 4 1 1 A 53 53 GLY CA C 64 43.200 46.261 -3.061 1
1 689 . 4 1 1 A 53 53 GLY N N 64 107.100 111.225 -4.125 1
1 690 . 4 1 1 A 54 54 LYS H H 65 8.430 8.924 -0.494 1
1 691 . 4 1 1 A 54 54 LYS HA H 65 3.750 4.089 -0.339 1
1 700 . 4 1 1 A 54 54 LYS CA C 65 58.300 58.708 -0.408 1
1 701 . 4 1 1 A 54 54 LYS CB C 65 32.600 32.018 0.582 1
1 705 . 4 1 1 A 54 54 LYS N N 65 119.300 124.583 -5.283 1
1 708 . 4 1 1 A 55 55 ASP C C 66 172.900 176.654 -3.754 1
1 709 . 4 1 1 A 56 56 VAL H H 67 8.510 8.569 -0.059 1
1 710 . 4 1 1 A 56 56 VAL HA H 67 3.100 3.883 -0.783 1
1 718 . 4 1 1 A 56 56 VAL C C 67 176.400 177.607 -1.207 1
1 719 . 4 1 1 A 56 56 VAL CA C 67 62.800 65.005 -2.205 1
1 720 . 4 1 1 A 56 56 VAL CB C 67 30.400 31.049 -0.649 1
1 723 . 4 1 1 A 56 56 VAL N N 67 112.700 122.251 -9.551 1
1 724 . 4 1 1 A 57 57 LYS H H 68 7.580 7.874 -0.294 1
1 725 . 4 1 1 A 57 57 LYS HA H 68 4.000 4.136 -0.136 1
1 734 . 4 1 1 A 57 57 LYS C C 68 176.700 176.240 0.460 1
1 735 . 4 1 1 A 57 57 LYS CA C 68 58.400 59.233 -0.833 1
1 736 . 4 1 1 A 57 57 LYS CB C 68 32.100 32.683 -0.583 1
1 740 . 4 1 1 A 57 57 LYS N N 68 118.700 122.507 -3.807 1
1 741 . 4 1 1 A 58 58 ILE H H 69 7.160 7.839 -0.679 1
1 742 . 4 1 1 A 58 58 ILE HA H 69 4.270 4.475 -0.205 1
1 752 . 4 1 1 A 58 58 ILE C C 69 174.300 174.884 -0.584 1
1 753 . 4 1 1 A 58 58 ILE CA C 69 59.900 60.478 -0.578 1
1 754 . 4 1 1 A 58 58 ILE CB C 69 41.000 39.280 1.720 1
1 758 . 4 1 1 A 58 58 ILE N N 69 115.700 118.643 -2.943 1
1 759 . 4 1 1 A 59 59 PHE H H 70 8.560 8.682 -0.122 1
1 760 . 4 1 1 A 59 59 PHE HA H 70 4.890 5.783 -0.893 1
1 765 . 4 1 1 A 59 59 PHE C C 70 173.500 173.974 -0.474 1
1 766 . 4 1 1 A 59 59 PHE CA C 70 58.700 55.284 3.416 1
1 767 . 4 1 1 A 59 59 PHE CB C 70 42.400 42.315 0.085 1
1 770 . 4 1 1 A 59 59 PHE N N 70 127.500 123.800 3.700 1
1 771 . 4 1 1 A 60 60 SER H H 71 8.430 8.944 -0.514 1
1 772 . 4 1 1 A 60 60 SER HA H 71 4.850 4.761 0.089 1
1 775 . 4 1 1 A 60 60 SER C C 71 172.100 173.860 -1.760 1
1 776 . 4 1 1 A 60 60 SER CA C 71 56.900 57.791 -0.891 1
1 777 . 4 1 1 A 60 60 SER CB C 71 65.000 65.202 -0.202 1
1 778 . 4 1 1 A 60 60 SER N N 71 124.200 117.321 6.879 1
1 779 . 4 1 1 A 61 61 SER H H 72 8.630 8.667 -0.037 1
1 780 . 4 1 1 A 61 61 SER HA H 72 5.380 5.056 0.324 1
1 783 . 4 1 1 A 61 61 SER C C 72 174.700 173.201 1.499 1
1 784 . 4 1 1 A 61 61 SER CA C 72 57.400 57.118 0.282 1
1 785 . 4 1 1 A 61 61 SER CB C 72 68.200 66.182 2.018 1
1 786 . 4 1 1 A 61 61 SER N N 72 116.900 114.711 2.189 1
1 787 . 4 1 1 A 62 62 SER H H 73 8.810 8.454 0.356 1
1 788 . 4 1 1 A 62 62 SER HA H 73 4.570 4.684 -0.114 1
1 792 . 4 1 1 A 62 62 SER C C 73 175.000 176.047 -1.047 1
1 793 . 4 1 1 A 62 62 SER CA C 73 57.600 57.343 0.257 1
1 794 . 4 1 1 A 62 62 SER CB C 73 65.400 65.231 0.169 1
1 795 . 4 1 1 A 62 62 SER N N 73 117.000 116.302 0.698 1
1 796 . 4 1 1 A 63 63 GLU H H 74 9.240 9.078 0.162 1
1 797 . 4 1 1 A 63 63 GLU HA H 74 4.140 4.037 0.103 1
1 802 . 4 1 1 A 63 63 GLU C C 74 179.000 178.567 0.433 1
1 803 . 4 1 1 A 63 63 GLU CA C 74 60.100 59.858 0.242 1
1 804 . 4 1 1 A 63 63 GLU CB C 74 29.600 29.573 0.027 1
1 806 . 4 1 1 A 63 63 GLU N N 74 123.600 120.664 2.936 1
1 807 . 4 1 1 A 64 64 GLU H H 75 8.970 8.099 0.871 1
1 808 . 4 1 1 A 64 64 GLU HA H 75 3.950 4.122 -0.172 1
1 813 . 4 1 1 A 64 64 GLU C C 75 179.000 179.445 -0.445 1
1 814 . 4 1 1 A 64 64 GLU CA C 75 60.100 59.158 0.942 1
1 815 . 4 1 1 A 64 64 GLU CB C 75 29.500 29.840 -0.340 1
1 817 . 4 1 1 A 64 64 GLU N N 75 117.000 120.448 -3.448 1
1 818 . 4 1 1 A 65 65 LEU H H 76 7.740 7.923 -0.183 1
1 819 . 4 1 1 A 65 65 LEU HA H 76 4.330 4.189 0.141 1
1 829 . 4 1 1 A 65 65 LEU C C 76 178.900 178.437 0.463 1
1 830 . 4 1 1 A 65 65 LEU CA C 76 57.500 57.766 -0.266 1
1 831 . 4 1 1 A 65 65 LEU CB C 76 41.800 41.929 -0.129 1
1 835 . 4 1 1 A 65 65 LEU N N 76 119.900 121.487 -1.587 1
1 836 . 4 1 1 A 66 66 ASP H H 77 8.620 8.304 0.316 1
1 837 . 4 1 1 A 66 66 ASP HA H 77 4.580 4.564 0.016 1
1 840 . 4 1 1 A 66 66 ASP C C 77 178.800 179.005 -0.205 1
1 841 . 4 1 1 A 66 66 ASP CA C 77 58.300 57.624 0.676 1
1 842 . 4 1 1 A 66 66 ASP CB C 77 42.100 41.590 0.510 1
1 843 . 4 1 1 A 66 66 ASP N N 77 120.300 119.243 1.057 1
1 844 . 4 1 1 A 67 67 LYS H H 78 7.210 7.815 -0.605 1
1 845 . 4 1 1 A 67 67 LYS HA H 78 4.240 4.195 0.045 1
1 854 . 4 1 1 A 67 67 LYS C C 78 177.400 179.540 -2.140 1
1 855 . 4 1 1 A 67 67 LYS CA C 78 58.000 59.237 -1.237 1
1 856 . 4 1 1 A 67 67 LYS CB C 78 33.000 32.401 0.599 1
1 860 . 4 1 1 A 67 67 LYS N N 78 113.200 119.107 -5.907 1
1 861 . 4 1 1 A 68 68 MET H H 79 8.210 8.017 0.193 1
1 862 . 4 1 1 A 68 68 MET HA H 79 4.270 4.337 -0.067 1
1 870 . 4 1 1 A 68 68 MET C C 79 176.800 176.947 -0.147 1
1 871 . 4 1 1 A 68 68 MET CA C 79 56.800 58.538 -1.738 1
1 872 . 4 1 1 A 68 68 MET CB C 79 33.900 33.274 0.626 1
1 875 . 4 1 1 A 68 68 MET N N 79 116.400 118.848 -2.448 1
1 876 . 4 1 1 A 69 69 PHE H H 80 7.330 7.811 -0.481 1
1 877 . 4 1 1 A 69 69 PHE HA H 80 4.300 4.593 -0.293 1
1 882 . 4 1 1 A 69 69 PHE C C 80 176.900 175.839 1.061 1
1 883 . 4 1 1 A 69 69 PHE CA C 80 59.300 57.965 1.335 1
1 884 . 4 1 1 A 69 69 PHE CB C 80 40.600 39.566 1.034 1
1 887 . 4 1 1 A 69 69 PHE N N 80 118.100 117.744 0.356 1
1 888 . 4 1 1 A 70 70 GLN H H 81 8.540 8.206 0.334 1
1 889 . 4 1 1 A 70 70 GLN HA H 81 4.450 4.012 0.438 1
1 896 . 4 1 1 A 70 70 GLN C C 81 174.200 174.456 -0.256 1
1 897 . 4 1 1 A 70 70 GLN CA C 81 55.000 56.498 -1.498 1
1 898 . 4 1 1 A 70 70 GLN CB C 81 29.400 28.595 0.805 1
1 901 . 4 1 1 A 70 70 GLN N N 81 121.600 119.934 1.666 1
1 903 . 4 1 1 A 71 71 GLU H H 82 8.340 8.074 0.266 1
1 904 . 4 1 1 A 71 71 GLU HA H 82 4.780 4.488 0.292 1
1 909 . 4 1 1 A 71 71 GLU CA C 82 53.100 53.129 -0.029 1
1 910 . 4 1 1 A 71 71 GLU CB C 82 30.600 30.383 0.217 1
1 912 . 4 1 1 A 71 71 GLU N N 82 122.900 118.526 4.374 1
1 913 . 4 1 1 A 72 72 PRO HA H 83 4.880 4.989 -0.109 1
1 920 . 4 1 1 A 72 72 PRO C C 83 176.200 177.398 -1.198 1
1 921 . 4 1 1 A 72 72 PRO CA C 83 62.100 63.164 -1.064 1
1 922 . 4 1 1 A 72 72 PRO CB C 83 33.800 32.172 1.628 1
1 925 . 4 1 1 A 73 73 ARG H H 84 8.580 8.758 -0.178 1
1 926 . 4 1 1 A 73 73 ARG HA H 84 4.390 4.782 -0.392 1
1 934 . 4 1 1 A 73 73 ARG C C 84 176.000 177.546 -1.546 1
1 935 . 4 1 1 A 73 73 ARG CA C 84 56.000 55.581 0.419 1
1 936 . 4 1 1 A 73 73 ARG CB C 84 31.100 31.230 -0.130 1
1 940 . 4 1 1 A 73 73 ARG N N 84 123.400 122.516 0.884 1
1 942 . 4 1 1 A 74 74 LYS H H 85 9.080 9.191 -0.111 1
1 943 . 4 1 1 A 74 74 LYS HA H 85 4.540 4.588 -0.048 1
1 952 . 4 1 1 A 74 74 LYS C C 85 176.500 176.207 0.293 1
1 953 . 4 1 1 A 74 74 LYS CA C 85 55.000 56.338 -1.338 1
1 954 . 4 1 1 A 74 74 LYS CB C 85 34.900 33.380 1.520 1
1 958 . 4 1 1 A 74 74 LYS N N 85 123.300 120.736 2.564 1
1 959 . 4 1 1 A 75 75 GLY H H 86 8.870 7.316 1.554 1
1 960 . 4 1 1 A 75 75 GLY HA2 H 86 3.930 4.206 -0.276 1
1 961 . 4 1 1 A 75 75 GLY HA3 H 86 4.350 4.278 0.072 1
1 962 . 4 1 1 A 75 75 GLY C C 86 174.000 174.615 -0.615 1
1 963 . 4 1 1 A 75 75 GLY CA C 86 44.600 45.091 -0.491 1
1 964 . 4 1 1 A 75 75 GLY N N 86 108.700 107.195 1.505 1
1 965 . 4 1 1 A 76 76 TYR H H 87 8.880 8.838 0.042 1
1 966 . 4 1 1 A 76 76 TYR HA H 87 3.930 4.141 -0.211 1
1 973 . 4 1 1 A 76 76 TYR C C 87 175.800 177.362 -1.562 1
1 974 . 4 1 1 A 76 76 TYR CA C 87 62.900 61.711 1.189 1
1 975 . 4 1 1 A 76 76 TYR CB C 87 38.700 38.947 -0.247 1
1 980 . 4 1 1 A 76 76 TYR N N 87 120.400 121.028 -0.628 1
1 981 . 4 1 1 A 77 77 ASP H H 88 8.450 8.216 0.234 1
1 982 . 4 1 1 A 77 77 ASP HA H 88 4.000 4.346 -0.346 1
1 985 . 4 1 1 A 77 77 ASP C C 88 178.200 178.964 -0.764 1
1 986 . 4 1 1 A 77 77 ASP CA C 88 57.000 56.863 0.137 1
1 987 . 4 1 1 A 77 77 ASP CB C 88 39.600 40.313 -0.713 1
1 988 . 4 1 1 A 77 77 ASP N N 88 115.800 119.955 -4.155 1
1 989 . 4 1 1 A 78 78 GLU H H 89 7.520 7.743 -0.223 1
1 990 . 4 1 1 A 78 78 GLU HA H 89 4.020 4.081 -0.061 1
1 995 . 4 1 1 A 78 78 GLU C C 89 178.500 178.781 -0.281 1
1 996 . 4 1 1 A 78 78 GLU CA C 89 58.500 58.808 -0.308 1
1 997 . 4 1 1 A 78 78 GLU CB C 89 30.100 29.491 0.609 1
1 999 . 4 1 1 A 78 78 GLU N N 89 119.600 119.421 0.179 1
1 1000 . 4 1 1 A 79 79 ILE H H 90 7.850 7.410 0.440 1
1 1001 . 4 1 1 A 79 79 ILE HA H 90 3.300 3.882 -0.582 1
1 1011 . 4 1 1 A 79 79 ILE C C 90 177.700 178.170 -0.470 1
1 1012 . 4 1 1 A 79 79 ILE CA C 90 64.600 64.411 0.189 1
1 1013 . 4 1 1 A 79 79 ILE CB C 90 37.700 37.567 0.133 1
1 1017 . 4 1 1 A 79 79 ILE N N 90 121.700 119.654 2.046 1
1 1018 . 4 1 1 A 80 80 LEU H H 91 7.710 7.656 0.054 1
1 1019 . 4 1 1 A 80 80 LEU HA H 91 3.780 3.877 -0.097 1
1 1029 . 4 1 1 A 80 80 LEU C C 91 178.600 179.392 -0.792 1
1 1030 . 4 1 1 A 80 80 LEU CA C 91 56.900 58.096 -1.196 1
1 1031 . 4 1 1 A 80 80 LEU CB C 91 41.600 40.787 0.813 1
1 1035 . 4 1 1 A 80 80 LEU N N 91 120.500 121.557 -1.057 1
1 1036 . 4 1 1 A 81 81 GLU H H 92 7.620 7.735 -0.115 1
1 1037 . 4 1 1 A 81 81 GLU HA H 92 3.960 4.090 -0.130 1
1 1042 . 4 1 1 A 81 81 GLU C C 92 177.400 176.383 1.017 1
1 1043 . 4 1 1 A 81 81 GLU CA C 92 58.300 59.526 -1.226 1
1 1044 . 4 1 1 A 81 81 GLU CB C 92 29.700 29.872 -0.172 1
1 1046 . 4 1 1 A 81 81 GLU N N 92 118.100 120.065 -1.965 1
1 1047 . 4 1 1 A 82 82 HIS H H 93 7.840 8.109 -0.269 1
1 1048 . 4 1 1 A 82 82 HIS HA H 93 4.440 4.635 -0.195 1
1 1051 . 4 1 1 A 82 82 HIS C C 93 175.600 175.580 0.020 1
1 1052 . 4 1 1 A 82 82 HIS CA C 93 57.000 56.390 0.610 1
1 1053 . 4 1 1 A 82 82 HIS CB C 93 29.800 28.899 0.901 1
1 1054 . 4 1 1 A 82 82 HIS N N 93 116.900 118.122 -1.222 1
1 1055 . 4 1 1 A 83 83 HIS H H 94 8.080 8.251 -0.171 1
1 1056 . 4 1 1 A 83 83 HIS HA H 94 4.480 4.087 0.393 1
1 1059 . 4 1 1 A 83 83 HIS CA C 94 56.700 58.681 -1.981 1
1 1060 . 4 1 1 A 83 83 HIS CB C 94 29.900 29.005 0.895 1
1 1 . 5 1 1 A 2 2 PHE HA H 13 4.400 4.166 0.234 1
1 9 . 5 1 1 A 2 2 PHE C C 13 176.400 177.366 -0.966 1
1 10 . 5 1 1 A 2 2 PHE CA C 13 60.700 61.239 -0.539 1
1 11 . 5 1 1 A 2 2 PHE CB C 13 39.700 38.899 0.801 1
1 17 . 5 1 1 A 3 3 PHE H H 14 9.000 8.223 0.777 1
1 18 . 5 1 1 A 3 3 PHE HA H 14 4.000 3.943 0.057 1
1 25 . 5 1 1 A 3 3 PHE C C 14 177.400 177.792 -0.392 1
1 26 . 5 1 1 A 3 3 PHE CA C 14 61.400 62.282 -0.882 1
1 27 . 5 1 1 A 3 3 PHE CB C 14 38.400 38.391 0.009 1
1 32 . 5 1 1 A 3 3 PHE N N 14 118.700 118.272 0.428 1
1 33 . 5 1 1 A 4 4 ASN H H 15 8.000 8.542 -0.542 1
1 34 . 5 1 1 A 4 4 ASN HA H 15 4.250 4.315 -0.065 1
1 39 . 5 1 1 A 4 4 ASN C C 15 177.300 177.529 -0.229 1
1 40 . 5 1 1 A 4 4 ASN CA C 15 56.400 56.839 -0.439 1
1 41 . 5 1 1 A 4 4 ASN CB C 15 38.000 39.052 -1.052 1
1 43 . 5 1 1 A 4 4 ASN N N 15 118.300 118.267 0.033 1
1 45 . 5 1 1 A 5 5 GLU H H 16 8.080 8.247 -0.167 1
1 46 . 5 1 1 A 5 5 GLU HA H 16 3.970 3.994 -0.024 1
1 51 . 5 1 1 A 5 5 GLU C C 16 179.600 179.359 0.241 1
1 52 . 5 1 1 A 5 5 GLU CA C 16 59.200 58.979 0.221 1
1 53 . 5 1 1 A 5 5 GLU CB C 16 29.400 29.381 0.019 1
1 55 . 5 1 1 A 5 5 GLU N N 16 120.400 118.758 1.642 1
1 56 . 5 1 1 A 6 6 GLN H H 17 7.930 7.580 0.350 1
1 57 . 5 1 1 A 6 6 GLN HA H 17 3.560 3.670 -0.110 1
1 64 . 5 1 1 A 6 6 GLN CA C 17 58.600 58.832 -0.232 1
1 65 . 5 1 1 A 6 6 GLN CB C 17 28.100 27.864 0.236 1
1 68 . 5 1 1 A 6 6 GLN N N 17 117.900 119.624 -1.724 1
1 70 . 5 1 1 A 7 7 LYS H H 18 8.120 7.256 0.864 1
1 71 . 5 1 1 A 7 7 LYS HA H 18 3.350 3.752 -0.402 1
1 80 . 5 1 1 A 7 7 LYS C C 18 179.900 179.457 0.443 1
1 81 . 5 1 1 A 7 7 LYS CA C 18 60.600 59.357 1.243 1
1 82 . 5 1 1 A 7 7 LYS CB C 18 32.000 31.686 0.314 1
1 86 . 5 1 1 A 7 7 LYS N N 18 118.800 118.195 0.605 1
1 87 . 5 1 1 A 8 8 GLU H H 19 7.740 7.926 -0.186 1
1 88 . 5 1 1 A 8 8 GLU HA H 19 4.040 4.050 -0.010 1
1 93 . 5 1 1 A 8 8 GLU C C 19 179.000 179.322 -0.322 1
1 94 . 5 1 1 A 8 8 GLU CA C 19 59.800 59.186 0.614 1
1 95 . 5 1 1 A 8 8 GLU CB C 19 29.100 29.370 -0.270 1
1 97 . 5 1 1 A 8 8 GLU N N 19 121.300 120.082 1.218 1
1 98 . 5 1 1 A 9 9 LYS H H 20 7.500 7.471 0.029 1
1 99 . 5 1 1 A 9 9 LYS HA H 20 3.950 4.068 -0.118 1
1 108 . 5 1 1 A 9 9 LYS C C 20 178.100 179.473 -1.373 1
1 109 . 5 1 1 A 9 9 LYS CA C 20 60.500 59.373 1.127 1
1 110 . 5 1 1 A 9 9 LYS CB C 20 32.200 32.141 0.059 1
1 114 . 5 1 1 A 9 9 LYS N N 20 120.100 119.303 0.797 1
1 115 . 5 1 1 A 10 10 VAL H H 21 8.030 7.446 0.584 1
1 116 . 5 1 1 A 10 10 VAL HA H 21 3.410 3.596 -0.186 1
1 124 . 5 1 1 A 10 10 VAL C C 21 177.400 178.148 -0.748 1
1 125 . 5 1 1 A 10 10 VAL CA C 21 66.600 66.135 0.465 1
1 126 . 5 1 1 A 10 10 VAL CB C 21 31.800 31.718 0.082 1
1 129 . 5 1 1 A 10 10 VAL N N 21 117.300 119.719 -2.419 1
1 130 . 5 1 1 A 11 11 THR H H 22 8.230 7.994 0.236 1
1 131 . 5 1 1 A 11 11 THR HA H 22 3.580 3.901 -0.321 1
1 137 . 5 1 1 A 11 11 THR C C 22 174.700 176.406 -1.706 1
1 138 . 5 1 1 A 11 11 THR CA C 22 68.700 66.788 1.912 1
1 139 . 5 1 1 A 11 11 THR CB C 22 68.500 68.248 0.252 1
1 141 . 5 1 1 A 11 11 THR N N 22 115.700 117.569 -1.869 1
1 142 . 5 1 1 A 12 12 LEU H H 23 7.780 8.089 -0.309 1
1 143 . 5 1 1 A 12 12 LEU HA H 23 3.930 3.865 0.065 1
1 153 . 5 1 1 A 12 12 LEU C C 23 178.400 178.837 -0.437 1
1 154 . 5 1 1 A 12 12 LEU CA C 23 58.500 57.935 0.565 1
1 155 . 5 1 1 A 12 12 LEU CB C 23 42.300 42.025 0.275 1
1 159 . 5 1 1 A 12 12 LEU N N 23 121.400 120.799 0.601 1
1 160 . 5 1 1 A 13 13 TYR H H 24 7.970 8.280 -0.310 1
1 161 . 5 1 1 A 13 13 TYR HA H 24 3.910 4.138 -0.228 1
1 168 . 5 1 1 A 13 13 TYR C C 24 177.400 176.926 0.474 1
1 169 . 5 1 1 A 13 13 TYR CA C 24 61.700 61.473 0.227 1
1 170 . 5 1 1 A 13 13 TYR CB C 24 39.400 38.574 0.826 1
1 175 . 5 1 1 A 13 13 TYR N N 24 119.100 119.713 -0.613 1
1 176 . 5 1 1 A 14 14 LEU H H 25 8.230 8.279 -0.049 1
1 177 . 5 1 1 A 14 14 LEU HA H 25 3.400 3.585 -0.185 1
1 187 . 5 1 1 A 14 14 LEU C C 25 177.200 178.923 -1.723 1
1 188 . 5 1 1 A 14 14 LEU CA C 25 57.600 57.664 -0.064 1
1 189 . 5 1 1 A 14 14 LEU CB C 25 42.200 41.121 1.079 1
1 193 . 5 1 1 A 14 14 LEU N N 25 119.600 119.581 0.019 1
1 194 . 5 1 1 A 15 15 LYS H H 26 8.010 8.012 -0.002 1
1 195 . 5 1 1 A 15 15 LYS HA H 26 3.230 3.667 -0.437 1
1 204 . 5 1 1 A 15 15 LYS C C 26 178.800 178.589 0.211 1
1 205 . 5 1 1 A 15 15 LYS CA C 26 59.000 58.645 0.355 1
1 206 . 5 1 1 A 15 15 LYS CB C 26 32.600 31.615 0.985 1
1 210 . 5 1 1 A 15 15 LYS N N 26 117.000 120.444 -3.444 1
1 211 . 5 1 1 A 16 16 HIS H H 27 7.890 7.761 0.129 1
1 212 . 5 1 1 A 16 16 HIS HA H 27 4.030 4.287 -0.257 1
1 217 . 5 1 1 A 16 16 HIS C C 27 175.900 176.182 -0.282 1
1 218 . 5 1 1 A 16 16 HIS CA C 27 59.000 59.290 -0.290 1
1 219 . 5 1 1 A 16 16 HIS CB C 27 30.900 29.878 1.022 1
1 222 . 5 1 1 A 16 16 HIS N N 27 113.200 116.606 -3.406 1
1 223 . 5 1 1 A 17 17 ASN H H 28 6.950 7.289 -0.339 1
1 224 . 5 1 1 A 17 17 ASN HA H 28 4.900 4.450 0.450 1
1 229 . 5 1 1 A 17 17 ASN C C 28 172.900 174.394 -1.494 1
1 230 . 5 1 1 A 17 17 ASN CA C 28 54.100 53.129 0.971 1
1 231 . 5 1 1 A 17 17 ASN CB C 28 42.500 39.012 3.488 1
1 233 . 5 1 1 A 17 17 ASN N N 28 112.200 114.532 -2.332 1
1 235 . 5 1 1 A 18 18 ILE H H 29 7.310 7.556 -0.246 1
1 236 . 5 1 1 A 18 18 ILE HA H 29 4.560 4.433 0.127 1
1 246 . 5 1 1 A 18 18 ILE CA C 29 58.000 57.887 0.113 1
1 247 . 5 1 1 A 18 18 ILE CB C 29 38.000 38.894 -0.894 1
1 251 . 5 1 1 A 18 18 ILE N N 29 119.300 118.758 0.542 1
1 252 . 5 1 1 A 19 19 PRO HA H 30 4.170 4.258 -0.088 1
1 259 . 5 1 1 A 19 19 PRO C C 30 178.000 177.342 0.658 1
1 260 . 5 1 1 A 19 19 PRO CA C 30 65.700 65.196 0.504 1
1 261 . 5 1 1 A 19 19 PRO CB C 30 32.100 31.773 0.327 1
1 264 . 5 1 1 A 20 20 ASP H H 31 8.470 8.279 0.191 1
1 265 . 5 1 1 A 20 20 ASP HA H 31 4.790 4.654 0.136 1
1 268 . 5 1 1 A 20 20 ASP C C 31 175.600 175.996 -0.396 1
1 269 . 5 1 1 A 20 20 ASP CA C 31 53.800 54.618 -0.818 1
1 270 . 5 1 1 A 20 20 ASP CB C 31 39.600 40.207 -0.607 1
1 271 . 5 1 1 A 20 20 ASP N N 31 113.700 116.459 -2.759 1
1 272 . 5 1 1 A 21 21 PHE H H 32 7.890 7.644 0.246 1
1 273 . 5 1 1 A 21 21 PHE HA H 32 3.810 4.308 -0.498 1
1 281 . 5 1 1 A 21 21 PHE C C 32 174.200 175.108 -0.908 1
1 282 . 5 1 1 A 21 21 PHE CA C 32 61.100 59.580 1.520 1
1 283 . 5 1 1 A 21 21 PHE CB C 32 39.900 39.830 0.070 1
1 289 . 5 1 1 A 21 21 PHE N N 32 122.200 121.720 0.480 1
1 290 . 5 1 1 A 22 22 ASN H H 33 9.380 8.465 0.915 1
1 291 . 5 1 1 A 22 22 ASN HA H 33 4.680 4.809 -0.129 1
1 296 . 5 1 1 A 22 22 ASN C C 33 173.600 173.872 -0.272 1
1 297 . 5 1 1 A 22 22 ASN CA C 33 54.600 54.563 0.037 1
1 298 . 5 1 1 A 22 22 ASN CB C 33 41.700 40.946 0.754 1
1 300 . 5 1 1 A 22 22 ASN N N 33 126.600 125.846 0.754 1
1 302 . 5 1 1 A 23 23 THR H H 34 7.010 7.232 -0.222 1
1 303 . 5 1 1 A 23 23 THR HA H 34 4.280 4.568 -0.288 1
1 308 . 5 1 1 A 23 23 THR C C 34 171.100 171.330 -0.230 1
1 309 . 5 1 1 A 23 23 THR CA C 34 60.300 60.154 0.146 1
1 310 . 5 1 1 A 23 23 THR CB C 34 71.100 70.828 0.272 1
1 312 . 5 1 1 A 23 23 THR N N 34 109.600 111.213 -1.613 1
1 313 . 5 1 1 A 24 24 VAL H H 35 8.290 8.795 -0.505 1
1 314 . 5 1 1 A 24 24 VAL HA H 35 4.850 4.771 0.079 1
1 322 . 5 1 1 A 24 24 VAL C C 35 171.400 173.325 -1.925 1
1 323 . 5 1 1 A 24 24 VAL CA C 35 59.300 60.002 -0.702 1
1 324 . 5 1 1 A 24 24 VAL CB C 35 35.500 35.626 -0.126 1
1 327 . 5 1 1 A 24 24 VAL N N 35 119.500 122.644 -3.144 1
1 328 . 5 1 1 A 25 25 THR H H 36 8.200 8.557 -0.357 1
1 329 . 5 1 1 A 25 25 THR HA H 36 4.150 4.683 -0.533 1
1 334 . 5 1 1 A 25 25 THR C C 36 171.900 173.088 -1.188 1
1 335 . 5 1 1 A 25 25 THR CA C 36 61.100 60.753 0.347 1
1 336 . 5 1 1 A 25 25 THR CB C 36 70.900 70.159 0.741 1
1 338 . 5 1 1 A 25 25 THR N N 36 125.200 123.044 2.156 1
1 339 . 5 1 1 A 26 26 PHE H H 37 8.900 8.646 0.254 1
1 340 . 5 1 1 A 26 26 PHE HA H 37 5.140 4.989 0.151 1
1 348 . 5 1 1 A 26 26 PHE C C 37 176.900 175.087 1.813 1
1 349 . 5 1 1 A 26 26 PHE CA C 37 58.100 56.915 1.185 1
1 350 . 5 1 1 A 26 26 PHE CB C 37 39.900 40.526 -0.626 1
1 356 . 5 1 1 A 26 26 PHE N N 37 124.500 126.564 -2.064 1
1 357 . 5 1 1 A 27 27 THR H H 38 9.090 8.329 0.761 1
1 358 . 5 1 1 A 27 27 THR HA H 38 4.430 4.797 -0.367 1
1 363 . 5 1 1 A 27 27 THR C C 38 174.800 173.094 1.706 1
1 364 . 5 1 1 A 27 27 THR CA C 38 61.600 61.624 -0.024 1
1 365 . 5 1 1 A 27 27 THR CB C 38 69.400 69.676 -0.276 1
1 367 . 5 1 1 A 27 27 THR N N 38 114.000 116.663 -2.663 1
1 368 . 5 1 1 A 28 28 ASN H H 39 7.880 8.890 -1.010 1
1 369 . 5 1 1 A 28 28 ASN HA H 39 4.780 4.919 -0.139 1
1 374 . 5 1 1 A 28 28 ASN C C 39 173.700 175.384 -1.684 1
1 375 . 5 1 1 A 28 28 ASN CA C 39 54.100 54.623 -0.523 1
1 376 . 5 1 1 A 28 28 ASN CB C 39 40.800 40.142 0.658 1
1 378 . 5 1 1 A 28 28 ASN N N 39 118.900 125.874 -6.974 1
1 380 . 5 1 1 A 29 29 GLU H H 40 8.150 8.091 0.059 1
1 381 . 5 1 1 A 29 29 GLU HA H 40 4.560 4.025 0.535 1
1 386 . 5 1 1 A 29 29 GLU C C 40 174.800 175.126 -0.326 1
1 387 . 5 1 1 A 29 29 GLU CA C 40 55.600 57.328 -1.728 1
1 388 . 5 1 1 A 29 29 GLU CB C 40 30.500 28.232 2.268 1
1 390 . 5 1 1 A 29 29 GLU N N 40 121.700 118.679 3.021 1
1 391 . 5 1 1 A 30 30 GLU H H 41 8.410 7.940 0.470 1
1 392 . 5 1 1 A 30 30 GLU HA H 41 4.410 4.940 -0.530 1
1 397 . 5 1 1 A 30 30 GLU C C 41 175.100 175.398 -0.298 1
1 398 . 5 1 1 A 30 30 GLU CA C 41 55.400 54.929 0.471 1
1 399 . 5 1 1 A 30 30 GLU CB C 41 32.200 32.708 -0.508 1
1 401 . 5 1 1 A 30 30 GLU N N 41 120.500 119.023 1.477 1
1 402 . 5 1 1 A 31 31 PHE H H 42 8.570 8.413 0.157 1
1 403 . 5 1 1 A 31 31 PHE HA H 42 4.820 4.929 -0.109 1
1 411 . 5 1 1 A 31 31 PHE C C 42 174.800 175.504 -0.704 1
1 412 . 5 1 1 A 31 31 PHE CA C 42 57.800 56.193 1.607 1
1 413 . 5 1 1 A 31 31 PHE CB C 42 40.200 40.402 -0.202 1
1 419 . 5 1 1 A 31 31 PHE N N 42 120.700 119.658 1.042 1
1 420 . 5 1 1 A 32 32 ASN H H 43 8.350 8.811 -0.461 1
1 421 . 5 1 1 A 32 32 ASN HA H 43 4.950 5.156 -0.206 1
1 426 . 5 1 1 A 32 32 ASN CA C 43 51.600 50.304 1.296 1
1 427 . 5 1 1 A 32 32 ASN CB C 43 39.300 39.060 0.240 1
1 429 . 5 1 1 A 32 32 ASN N N 43 122.000 122.141 -0.141 1
1 431 . 5 1 1 A 33 33 PRO HA H 44 4.260 4.392 -0.132 1
1 438 . 5 1 1 A 33 33 PRO C C 44 177.400 177.822 -0.422 1
1 439 . 5 1 1 A 33 33 PRO CA C 44 65.300 65.764 -0.464 1
1 440 . 5 1 1 A 33 33 PRO CB C 44 32.200 31.869 0.331 1
1 443 . 5 1 1 A 34 34 ILE H H 45 7.840 7.918 -0.078 1
1 444 . 5 1 1 A 34 34 ILE HA H 45 4.240 3.941 0.299 1
1 454 . 5 1 1 A 34 34 ILE C C 45 176.400 175.772 0.628 1
1 455 . 5 1 1 A 34 34 ILE CA C 45 61.000 63.241 -2.241 1
1 456 . 5 1 1 A 34 34 ILE CB C 45 38.600 38.739 -0.139 1
1 460 . 5 1 1 A 34 34 ILE N N 45 113.700 116.744 -3.044 1
1 461 . 5 1 1 A 35 35 GLY H H 46 7.860 7.275 0.585 1
1 462 . 5 1 1 A 35 35 GLY HA2 H 46 3.870 4.139 -0.269 1
1 463 . 5 1 1 A 35 35 GLY HA3 H 46 4.130 4.146 -0.016 1
1 464 . 5 1 1 A 35 35 GLY C C 46 172.700 172.087 0.613 1
1 465 . 5 1 1 A 35 35 GLY CA C 46 45.900 46.182 -0.282 1
1 466 . 5 1 1 A 35 35 GLY N N 46 111.900 109.043 2.857 1
1 467 . 5 1 1 A 36 36 ILE H H 47 8.180 8.651 -0.471 1
1 468 . 5 1 1 A 36 36 ILE HA H 47 4.720 5.168 -0.448 1
1 478 . 5 1 1 A 36 36 ILE C C 47 174.900 173.763 1.137 1
1 479 . 5 1 1 A 36 36 ILE CA C 47 60.500 58.847 1.653 1
1 480 . 5 1 1 A 36 36 ILE CB C 47 40.800 41.131 -0.331 1
1 484 . 5 1 1 A 36 36 ILE N N 47 118.300 122.104 -3.804 1
1 485 . 5 1 1 A 37 37 SER H H 48 8.430 9.256 -0.826 1
1 486 . 5 1 1 A 37 37 SER HA H 48 4.990 5.302 -0.312 1
1 489 . 5 1 1 A 37 37 SER C C 48 172.900 173.129 -0.229 1
1 490 . 5 1 1 A 37 37 SER CA C 48 57.800 56.575 1.225 1
1 491 . 5 1 1 A 37 37 SER CB C 48 65.600 65.025 0.575 1
1 492 . 5 1 1 A 37 37 SER N N 48 116.700 120.025 -3.325 1
1 493 . 5 1 1 A 38 38 ILE H H 49 9.150 9.259 -0.109 1
1 494 . 5 1 1 A 38 38 ILE HA H 49 4.720 4.924 -0.204 1
1 504 . 5 1 1 A 38 38 ILE C C 49 173.900 174.315 -0.415 1
1 505 . 5 1 1 A 38 38 ILE CA C 49 60.600 60.029 0.571 1
1 506 . 5 1 1 A 38 38 ILE CB C 49 41.000 40.679 0.321 1
1 510 . 5 1 1 A 38 38 ILE N N 49 124.300 127.864 -3.564 1
1 511 . 5 1 1 A 39 39 ASP H H 50 8.700 9.092 -0.392 1
1 512 . 5 1 1 A 39 39 ASP HA H 50 5.540 5.716 -0.176 1
1 515 . 5 1 1 A 39 39 ASP C C 50 176.200 174.886 1.314 1
1 516 . 5 1 1 A 39 39 ASP CA C 50 52.300 52.330 -0.030 1
1 517 . 5 1 1 A 39 39 ASP CB C 50 44.300 44.776 -0.476 1
1 518 . 5 1 1 A 39 39 ASP N N 50 126.600 127.259 -0.659 1
1 519 . 5 1 1 A 40 40 GLY H H 51 7.100 7.390 -0.290 1
1 520 . 5 1 1 A 40 40 GLY HA2 H 51 3.780 3.792 -0.012 1
1 521 . 5 1 1 A 40 40 GLY HA3 H 51 4.070 4.023 0.047 1
1 522 . 5 1 1 A 40 40 GLY C C 51 170.100 171.199 -1.099 1
1 523 . 5 1 1 A 40 40 GLY CA C 51 47.200 45.798 1.402 1
1 524 . 5 1 1 A 40 40 GLY N N 51 106.400 109.686 -3.286 1
1 525 . 5 1 1 A 41 41 TYR H H 52 8.390 8.025 0.365 1
1 526 . 5 1 1 A 41 41 TYR HA H 52 5.530 5.921 -0.391 1
1 533 . 5 1 1 A 41 41 TYR C C 52 175.200 173.107 2.093 1
1 534 . 5 1 1 A 41 41 TYR CA C 52 56.000 55.896 0.104 1
1 535 . 5 1 1 A 41 41 TYR CB C 52 39.200 42.114 -2.914 1
1 540 . 5 1 1 A 41 41 TYR N N 52 113.900 115.551 -1.651 1
1 541 . 5 1 1 A 42 42 ILE H H 53 8.420 8.422 -0.002 1
1 542 . 5 1 1 A 42 42 ILE HA H 53 5.450 4.856 0.594 1
1 552 . 5 1 1 A 42 42 ILE C C 53 174.500 175.097 -0.597 1
1 553 . 5 1 1 A 42 42 ILE CA C 53 59.300 59.410 -0.110 1
1 554 . 5 1 1 A 42 42 ILE CB C 53 40.700 41.052 -0.352 1
1 558 . 5 1 1 A 42 42 ILE N N 53 113.200 116.757 -3.557 1
1 559 . 5 1 1 A 43 43 ASN H H 54 8.760 8.981 -0.221 1
1 560 . 5 1 1 A 43 43 ASN HA H 54 4.120 4.346 -0.226 1
1 565 . 5 1 1 A 43 43 ASN C C 54 173.900 175.255 -1.355 1
1 566 . 5 1 1 A 43 43 ASN CA C 54 53.300 54.555 -1.255 1
1 567 . 5 1 1 A 43 43 ASN CB C 54 35.500 36.958 -1.458 1
1 569 . 5 1 1 A 43 43 ASN N N 54 116.700 118.728 -2.028 1
1 571 . 5 1 1 A 44 44 ASN H H 55 9.270 8.606 0.664 1
1 572 . 5 1 1 A 44 44 ASN HA H 55 4.260 4.611 -0.351 1
1 577 . 5 1 1 A 44 44 ASN C C 55 173.600 173.570 0.030 1
1 578 . 5 1 1 A 44 44 ASN CA C 55 54.800 54.455 0.345 1
1 579 . 5 1 1 A 44 44 ASN CB C 55 38.100 37.786 0.314 1
1 581 . 5 1 1 A 44 44 ASN N N 55 110.300 115.603 -5.303 1
1 583 . 5 1 1 A 45 45 ASP H H 56 8.100 8.226 -0.126 1
1 584 . 5 1 1 A 45 45 ASP HA H 56 4.760 4.769 -0.009 1
1 587 . 5 1 1 A 45 45 ASP C C 56 175.900 176.229 -0.329 1
1 588 . 5 1 1 A 45 45 ASP CA C 56 52.600 53.160 -0.560 1
1 589 . 5 1 1 A 45 45 ASP CB C 56 42.000 41.698 0.302 1
1 590 . 5 1 1 A 45 45 ASP N N 56 119.500 118.780 0.720 1
1 591 . 5 1 1 A 46 46 LYS H H 57 8.260 8.586 -0.326 1
1 592 . 5 1 1 A 46 46 LYS HA H 57 2.760 3.400 -0.640 1
1 601 . 5 1 1 A 46 46 LYS C C 57 177.100 178.376 -1.276 1
1 602 . 5 1 1 A 46 46 LYS CA C 57 58.400 59.261 -0.861 1
1 603 . 5 1 1 A 46 46 LYS CB C 57 31.700 31.888 -0.188 1
1 607 . 5 1 1 A 46 46 LYS N N 57 124.100 125.626 -1.526 1
1 608 . 5 1 1 A 47 47 ASN H H 58 8.610 8.011 0.599 1
1 609 . 5 1 1 A 47 47 ASN HA H 58 4.620 4.512 0.108 1
1 614 . 5 1 1 A 47 47 ASN C C 58 177.000 176.807 0.193 1
1 615 . 5 1 1 A 47 47 ASN CA C 58 54.400 56.269 -1.869 1
1 616 . 5 1 1 A 47 47 ASN CB C 58 38.500 38.463 0.037 1
1 618 . 5 1 1 A 47 47 ASN N N 58 114.800 117.353 -2.553 1
1 620 . 5 1 1 A 48 48 LEU H H 59 8.470 7.476 0.994 1
1 621 . 5 1 1 A 48 48 LEU HA H 59 4.470 4.556 -0.086 1
1 631 . 5 1 1 A 48 48 LEU C C 59 175.300 175.663 -0.363 1
1 632 . 5 1 1 A 48 48 LEU CA C 59 52.800 54.165 -1.365 1
1 633 . 5 1 1 A 48 48 LEU CB C 59 39.100 40.135 -1.035 1
1 637 . 5 1 1 A 48 48 LEU N N 59 125.800 119.982 5.818 1
1 638 . 5 1 1 A 49 49 SER H H 60 7.270 8.524 -1.254 1
1 639 . 5 1 1 A 49 49 SER HA H 60 5.230 5.560 -0.330 1
1 642 . 5 1 1 A 49 49 SER C C 60 173.200 174.025 -0.825 1
1 643 . 5 1 1 A 49 49 SER CA C 60 56.900 57.839 -0.939 1
1 644 . 5 1 1 A 49 49 SER CB C 60 66.500 64.971 1.529 1
1 645 . 5 1 1 A 49 49 SER N N 60 112.400 121.830 -9.430 1
1 646 . 5 1 1 A 50 50 PHE H H 61 8.260 8.760 -0.500 1
1 647 . 5 1 1 A 50 50 PHE HA H 61 5.490 5.683 -0.193 1
1 655 . 5 1 1 A 50 50 PHE C C 61 174.500 173.179 1.321 1
1 656 . 5 1 1 A 50 50 PHE CA C 61 56.300 56.045 0.255 1
1 657 . 5 1 1 A 50 50 PHE CB C 61 44.600 43.045 1.555 1
1 663 . 5 1 1 A 50 50 PHE N N 61 114.200 119.528 -5.328 1
1 664 . 5 1 1 A 51 51 THR H H 62 8.520 8.968 -0.448 1
1 665 . 5 1 1 A 51 51 THR HA H 62 5.140 5.381 -0.241 1
1 670 . 5 1 1 A 51 51 THR C C 62 172.600 173.101 -0.501 1
1 671 . 5 1 1 A 51 51 THR CA C 62 62.000 61.188 0.812 1
1 672 . 5 1 1 A 51 51 THR CB C 62 72.000 72.220 -0.220 1
1 674 . 5 1 1 A 51 51 THR N N 62 116.000 114.911 1.089 1
1 675 . 5 1 1 A 52 52 ALA H H 63 9.870 8.857 1.013 1
1 676 . 5 1 1 A 52 52 ALA HA H 63 5.180 5.230 -0.050 1
1 680 . 5 1 1 A 52 52 ALA C C 63 176.300 176.029 0.271 1
1 681 . 5 1 1 A 52 52 ALA CA C 63 50.300 51.328 -1.028 1
1 682 . 5 1 1 A 52 52 ALA CB C 63 24.000 23.334 0.666 1
1 683 . 5 1 1 A 52 52 ALA N N 63 130.400 126.176 4.224 1
1 684 . 5 1 1 A 53 53 GLY H H 64 8.340 8.658 -0.318 1
1 685 . 5 1 1 A 53 53 GLY HA2 H 64 3.630 4.189 -0.559 1
1 686 . 5 1 1 A 53 53 GLY HA3 H 64 4.830 4.191 0.639 1
1 687 . 5 1 1 A 53 53 GLY C C 64 173.200 174.878 -1.678 1
1 688 . 5 1 1 A 53 53 GLY CA C 64 43.200 44.801 -1.601 1
1 689 . 5 1 1 A 53 53 GLY N N 64 107.100 108.973 -1.873 1
1 690 . 5 1 1 A 54 54 LYS H H 65 8.430 8.946 -0.516 1
1 691 . 5 1 1 A 54 54 LYS HA H 65 3.750 4.200 -0.450 1
1 700 . 5 1 1 A 54 54 LYS CA C 65 58.300 58.243 0.057 1
1 701 . 5 1 1 A 54 54 LYS CB C 65 32.600 32.025 0.575 1
1 705 . 5 1 1 A 54 54 LYS N N 65 119.300 123.654 -4.354 1
1 708 . 5 1 1 A 55 55 ASP C C 66 172.900 176.018 -3.118 1
1 709 . 5 1 1 A 56 56 VAL H H 67 8.510 8.518 -0.008 1
1 710 . 5 1 1 A 56 56 VAL HA H 67 3.100 3.594 -0.494 1
1 718 . 5 1 1 A 56 56 VAL C C 67 176.400 175.008 1.392 1
1 719 . 5 1 1 A 56 56 VAL CA C 67 62.800 63.680 -0.880 1
1 720 . 5 1 1 A 56 56 VAL CB C 67 30.400 29.139 1.261 1
1 723 . 5 1 1 A 56 56 VAL N N 67 112.700 115.196 -2.496 1
1 724 . 5 1 1 A 57 57 LYS H H 68 7.580 7.821 -0.241 1
1 725 . 5 1 1 A 57 57 LYS HA H 68 4.000 4.337 -0.337 1
1 734 . 5 1 1 A 57 57 LYS C C 68 176.700 177.189 -0.489 1
1 735 . 5 1 1 A 57 57 LYS CA C 68 58.400 56.846 1.554 1
1 736 . 5 1 1 A 57 57 LYS CB C 68 32.100 32.415 -0.315 1
1 740 . 5 1 1 A 57 57 LYS N N 68 118.700 121.928 -3.228 1
1 741 . 5 1 1 A 58 58 ILE H H 69 7.160 8.704 -1.544 1
1 742 . 5 1 1 A 58 58 ILE HA H 69 4.270 3.831 0.439 1
1 752 . 5 1 1 A 58 58 ILE C C 69 174.300 175.719 -1.419 1
1 753 . 5 1 1 A 58 58 ILE CA C 69 59.900 62.000 -2.100 1
1 754 . 5 1 1 A 58 58 ILE CB C 69 41.000 37.049 3.951 1
1 758 . 5 1 1 A 58 58 ILE N N 69 115.700 119.731 -4.031 1
1 759 . 5 1 1 A 59 59 PHE H H 70 8.560 7.606 0.954 1
1 760 . 5 1 1 A 59 59 PHE HA H 70 4.890 5.789 -0.899 1
1 765 . 5 1 1 A 59 59 PHE C C 70 173.500 172.950 0.550 1
1 766 . 5 1 1 A 59 59 PHE CA C 70 58.700 55.593 3.107 1
1 767 . 5 1 1 A 59 59 PHE CB C 70 42.400 42.289 0.111 1
1 770 . 5 1 1 A 59 59 PHE N N 70 127.500 124.747 2.753 1
1 771 . 5 1 1 A 60 60 SER H H 71 8.430 9.257 -0.827 1
1 772 . 5 1 1 A 60 60 SER HA H 71 4.850 5.385 -0.535 1
1 775 . 5 1 1 A 60 60 SER C C 71 172.100 173.115 -1.015 1
1 776 . 5 1 1 A 60 60 SER CA C 71 56.900 57.020 -0.120 1
1 777 . 5 1 1 A 60 60 SER CB C 71 65.000 67.118 -2.118 1
1 778 . 5 1 1 A 60 60 SER N N 71 124.200 114.572 9.628 1
1 779 . 5 1 1 A 61 61 SER H H 72 8.630 8.778 -0.148 1
1 780 . 5 1 1 A 61 61 SER HA H 72 5.380 5.182 0.198 1
1 783 . 5 1 1 A 61 61 SER C C 72 174.700 174.025 0.675 1
1 784 . 5 1 1 A 61 61 SER CA C 72 57.400 57.891 -0.491 1
1 785 . 5 1 1 A 61 61 SER CB C 72 68.200 67.236 0.964 1
1 786 . 5 1 1 A 61 61 SER N N 72 116.900 117.516 -0.616 1
1 787 . 5 1 1 A 62 62 SER H H 73 8.810 8.631 0.179 1
1 788 . 5 1 1 A 62 62 SER HA H 73 4.570 4.623 -0.053 1
1 792 . 5 1 1 A 62 62 SER C C 73 175.000 176.047 -1.047 1
1 793 . 5 1 1 A 62 62 SER CA C 73 57.600 57.638 -0.038 1
1 794 . 5 1 1 A 62 62 SER CB C 73 65.400 65.311 0.089 1
1 795 . 5 1 1 A 62 62 SER N N 73 117.000 116.155 0.845 1
1 796 . 5 1 1 A 63 63 GLU H H 74 9.240 9.181 0.059 1
1 797 . 5 1 1 A 63 63 GLU HA H 74 4.140 4.012 0.128 1
1 802 . 5 1 1 A 63 63 GLU C C 74 179.000 178.386 0.614 1
1 803 . 5 1 1 A 63 63 GLU CA C 74 60.100 59.985 0.115 1
1 804 . 5 1 1 A 63 63 GLU CB C 74 29.600 29.483 0.117 1
1 806 . 5 1 1 A 63 63 GLU N N 74 123.600 120.991 2.609 1
1 807 . 5 1 1 A 64 64 GLU H H 75 8.970 8.145 0.825 1
1 808 . 5 1 1 A 64 64 GLU HA H 75 3.950 4.074 -0.124 1
1 813 . 5 1 1 A 64 64 GLU C C 75 179.000 179.600 -0.600 1
1 814 . 5 1 1 A 64 64 GLU CA C 75 60.100 58.942 1.158 1
1 815 . 5 1 1 A 64 64 GLU CB C 75 29.500 29.726 -0.226 1
1 817 . 5 1 1 A 64 64 GLU N N 75 117.000 120.403 -3.403 1
1 818 . 5 1 1 A 65 65 LEU H H 76 7.740 7.860 -0.120 1
1 819 . 5 1 1 A 65 65 LEU HA H 76 4.330 4.191 0.139 1
1 829 . 5 1 1 A 65 65 LEU C C 76 178.900 178.297 0.603 1
1 830 . 5 1 1 A 65 65 LEU CA C 76 57.500 57.769 -0.269 1
1 831 . 5 1 1 A 65 65 LEU CB C 76 41.800 42.103 -0.303 1
1 835 . 5 1 1 A 65 65 LEU N N 76 119.900 121.409 -1.509 1
1 836 . 5 1 1 A 66 66 ASP H H 77 8.620 8.787 -0.167 1
1 837 . 5 1 1 A 66 66 ASP HA H 77 4.580 4.403 0.177 1
1 840 . 5 1 1 A 66 66 ASP C C 77 178.800 178.815 -0.015 1
1 841 . 5 1 1 A 66 66 ASP CA C 77 58.300 57.491 0.809 1
1 842 . 5 1 1 A 66 66 ASP CB C 77 42.100 41.354 0.746 1
1 843 . 5 1 1 A 66 66 ASP N N 77 120.300 119.203 1.097 1
1 844 . 5 1 1 A 67 67 LYS H H 78 7.210 7.782 -0.572 1
1 845 . 5 1 1 A 67 67 LYS HA H 78 4.240 4.335 -0.095 1
1 854 . 5 1 1 A 67 67 LYS C C 78 177.400 177.574 -0.174 1
1 855 . 5 1 1 A 67 67 LYS CA C 78 58.000 58.286 -0.286 1
1 856 . 5 1 1 A 67 67 LYS CB C 78 33.000 32.351 0.649 1
1 860 . 5 1 1 A 67 67 LYS N N 78 113.200 118.529 -5.329 1
1 861 . 5 1 1 A 68 68 MET H H 79 8.210 8.276 -0.066 1
1 862 . 5 1 1 A 68 68 MET HA H 79 4.270 4.631 -0.361 1
1 870 . 5 1 1 A 68 68 MET C C 79 176.800 176.632 0.168 1
1 871 . 5 1 1 A 68 68 MET CA C 79 56.800 54.729 2.071 1
1 872 . 5 1 1 A 68 68 MET CB C 79 33.900 31.509 2.391 1
1 875 . 5 1 1 A 68 68 MET N N 79 116.400 116.417 -0.017 1
1 876 . 5 1 1 A 69 69 PHE H H 80 7.330 7.687 -0.357 1
1 877 . 5 1 1 A 69 69 PHE HA H 80 4.300 4.604 -0.304 1
1 882 . 5 1 1 A 69 69 PHE C C 80 176.900 175.640 1.260 1
1 883 . 5 1 1 A 69 69 PHE CA C 80 59.300 59.387 -0.087 1
1 884 . 5 1 1 A 69 69 PHE CB C 80 40.600 39.399 1.201 1
1 887 . 5 1 1 A 69 69 PHE N N 80 118.100 119.943 -1.843 1
1 888 . 5 1 1 A 70 70 GLN H H 81 8.540 8.760 -0.220 1
1 889 . 5 1 1 A 70 70 GLN HA H 81 4.450 4.524 -0.074 1
1 896 . 5 1 1 A 70 70 GLN C C 81 174.200 174.899 -0.699 1
1 897 . 5 1 1 A 70 70 GLN CA C 81 55.000 56.506 -1.506 1
1 898 . 5 1 1 A 70 70 GLN CB C 81 29.400 30.826 -1.426 1
1 901 . 5 1 1 A 70 70 GLN N N 81 121.600 124.973 -3.373 1
1 903 . 5 1 1 A 71 71 GLU H H 82 8.340 7.786 0.554 1
1 904 . 5 1 1 A 71 71 GLU HA H 82 4.780 4.715 0.065 1
1 909 . 5 1 1 A 71 71 GLU CA C 82 53.100 53.128 -0.028 1
1 910 . 5 1 1 A 71 71 GLU CB C 82 30.600 30.846 -0.246 1
1 912 . 5 1 1 A 71 71 GLU N N 82 122.900 117.594 5.306 1
1 913 . 5 1 1 A 72 72 PRO HA H 83 4.880 4.634 0.246 1
1 920 . 5 1 1 A 72 72 PRO C C 83 176.200 176.263 -0.063 1
1 921 . 5 1 1 A 72 72 PRO CA C 83 62.100 62.342 -0.242 1
1 922 . 5 1 1 A 72 72 PRO CB C 83 33.800 32.954 0.846 1
1 925 . 5 1 1 A 73 73 ARG H H 84 8.580 8.521 0.059 1
1 926 . 5 1 1 A 73 73 ARG HA H 84 4.390 4.652 -0.262 1
1 934 . 5 1 1 A 73 73 ARG C C 84 176.000 176.613 -0.613 1
1 935 . 5 1 1 A 73 73 ARG CA C 84 56.000 56.667 -0.667 1
1 936 . 5 1 1 A 73 73 ARG CB C 84 31.100 30.873 0.227 1
1 940 . 5 1 1 A 73 73 ARG N N 84 123.400 121.884 1.516 1
1 942 . 5 1 1 A 74 74 LYS H H 85 9.080 8.901 0.179 1
1 943 . 5 1 1 A 74 74 LYS HA H 85 4.540 5.391 -0.851 1
1 952 . 5 1 1 A 74 74 LYS C C 85 176.500 176.532 -0.032 1
1 953 . 5 1 1 A 74 74 LYS CA C 85 55.000 54.703 0.297 1
1 954 . 5 1 1 A 74 74 LYS CB C 85 34.900 36.943 -2.043 1
1 958 . 5 1 1 A 74 74 LYS N N 85 123.300 123.802 -0.502 1
1 959 . 5 1 1 A 75 75 GLY H H 86 8.870 8.610 0.260 1
1 960 . 5 1 1 A 75 75 GLY HA2 H 86 3.930 4.197 -0.267 1
1 961 . 5 1 1 A 75 75 GLY HA3 H 86 4.350 4.239 0.111 1
1 962 . 5 1 1 A 75 75 GLY C C 86 174.000 175.112 -1.112 1
1 963 . 5 1 1 A 75 75 GLY CA C 86 44.600 44.951 -0.351 1
1 964 . 5 1 1 A 75 75 GLY N N 86 108.700 109.619 -0.919 1
1 965 . 5 1 1 A 76 76 TYR H H 87 8.880 9.198 -0.318 1
1 966 . 5 1 1 A 76 76 TYR HA H 87 3.930 4.112 -0.182 1
1 973 . 5 1 1 A 76 76 TYR C C 87 175.800 177.435 -1.635 1
1 974 . 5 1 1 A 76 76 TYR CA C 87 62.900 61.439 1.461 1
1 975 . 5 1 1 A 76 76 TYR CB C 87 38.700 38.888 -0.188 1
1 980 . 5 1 1 A 76 76 TYR N N 87 120.400 120.891 -0.491 1
1 981 . 5 1 1 A 77 77 ASP H H 88 8.450 8.595 -0.145 1
1 982 . 5 1 1 A 77 77 ASP HA H 88 4.000 4.116 -0.116 1
1 985 . 5 1 1 A 77 77 ASP C C 88 178.200 178.148 0.052 1
1 986 . 5 1 1 A 77 77 ASP CA C 88 57.000 57.522 -0.522 1
1 987 . 5 1 1 A 77 77 ASP CB C 88 39.600 40.854 -1.254 1
1 988 . 5 1 1 A 77 77 ASP N N 88 115.800 119.572 -3.772 1
1 989 . 5 1 1 A 78 78 GLU H H 89 7.520 8.163 -0.643 1
1 990 . 5 1 1 A 78 78 GLU HA H 89 4.020 4.085 -0.065 1
1 995 . 5 1 1 A 78 78 GLU C C 89 178.500 178.803 -0.303 1
1 996 . 5 1 1 A 78 78 GLU CA C 89 58.500 58.932 -0.432 1
1 997 . 5 1 1 A 78 78 GLU CB C 89 30.100 29.637 0.463 1
1 999 . 5 1 1 A 78 78 GLU N N 89 119.600 119.205 0.395 1
1 1000 . 5 1 1 A 79 79 ILE H H 90 7.850 7.616 0.234 1
1 1001 . 5 1 1 A 79 79 ILE HA H 90 3.300 3.651 -0.351 1
1 1011 . 5 1 1 A 79 79 ILE C C 90 177.700 177.970 -0.270 1
1 1012 . 5 1 1 A 79 79 ILE CA C 90 64.600 64.264 0.336 1
1 1013 . 5 1 1 A 79 79 ILE CB C 90 37.700 37.094 0.606 1
1 1017 . 5 1 1 A 79 79 ILE N N 90 121.700 119.764 1.936 1
1 1018 . 5 1 1 A 80 80 LEU H H 91 7.710 7.745 -0.035 1
1 1019 . 5 1 1 A 80 80 LEU HA H 91 3.780 3.705 0.075 1
1 1029 . 5 1 1 A 80 80 LEU C C 91 178.600 179.051 -0.451 1
1 1030 . 5 1 1 A 80 80 LEU CA C 91 56.900 57.986 -1.086 1
1 1031 . 5 1 1 A 80 80 LEU CB C 91 41.600 40.774 0.826 1
1 1035 . 5 1 1 A 80 80 LEU N N 91 120.500 121.139 -0.639 1
1 1036 . 5 1 1 A 81 81 GLU H H 92 7.620 7.518 0.102 1
1 1037 . 5 1 1 A 81 81 GLU HA H 92 3.960 3.861 0.099 1
1 1042 . 5 1 1 A 81 81 GLU C C 92 177.400 176.795 0.605 1
1 1043 . 5 1 1 A 81 81 GLU CA C 92 58.300 58.329 -0.029 1
1 1044 . 5 1 1 A 81 81 GLU CB C 92 29.700 30.198 -0.498 1
1 1046 . 5 1 1 A 81 81 GLU N N 92 118.100 117.868 0.232 1
1 1047 . 5 1 1 A 82 82 HIS H H 93 7.840 8.131 -0.291 1
1 1048 . 5 1 1 A 82 82 HIS HA H 93 4.440 4.315 0.125 1
1 1051 . 5 1 1 A 82 82 HIS C C 93 175.600 174.307 1.293 1
1 1052 . 5 1 1 A 82 82 HIS CA C 93 57.000 57.716 -0.716 1
1 1053 . 5 1 1 A 82 82 HIS CB C 93 29.800 29.224 0.576 1
1 1054 . 5 1 1 A 82 82 HIS N N 93 116.900 118.610 -1.710 1
1 1055 . 5 1 1 A 83 83 HIS H H 94 8.080 8.228 -0.148 1
1 1056 . 5 1 1 A 83 83 HIS HA H 94 4.480 4.217 0.263 1
1 1059 . 5 1 1 A 83 83 HIS CA C 94 56.700 58.290 -1.590 1
1 1060 . 5 1 1 A 83 83 HIS CB C 94 29.900 28.368 1.532 1
1 1 . 6 1 1 A 2 2 PHE HA H 13 4.400 4.033 0.367 1
1 9 . 6 1 1 A 2 2 PHE C C 13 176.400 177.123 -0.723 1
1 10 . 6 1 1 A 2 2 PHE CA C 13 60.700 61.225 -0.525 1
1 11 . 6 1 1 A 2 2 PHE CB C 13 39.700 39.330 0.370 1
1 17 . 6 1 1 A 3 3 PHE H H 14 9.000 8.085 0.915 1
1 18 . 6 1 1 A 3 3 PHE HA H 14 4.000 4.054 -0.054 1
1 25 . 6 1 1 A 3 3 PHE C C 14 177.400 178.137 -0.737 1
1 26 . 6 1 1 A 3 3 PHE CA C 14 61.400 62.051 -0.651 1
1 27 . 6 1 1 A 3 3 PHE CB C 14 38.400 38.414 -0.014 1
1 32 . 6 1 1 A 3 3 PHE N N 14 118.700 117.250 1.450 1
1 33 . 6 1 1 A 4 4 ASN H H 15 8.000 7.836 0.164 1
1 34 . 6 1 1 A 4 4 ASN HA H 15 4.250 4.159 0.091 1
1 39 . 6 1 1 A 4 4 ASN C C 15 177.300 178.528 -1.228 1
1 40 . 6 1 1 A 4 4 ASN CA C 15 56.400 56.417 -0.017 1
1 41 . 6 1 1 A 4 4 ASN CB C 15 38.000 37.763 0.237 1
1 43 . 6 1 1 A 4 4 ASN N N 15 118.300 117.044 1.256 1
1 45 . 6 1 1 A 5 5 GLU H H 16 8.080 7.879 0.201 1
1 46 . 6 1 1 A 5 5 GLU HA H 16 3.970 3.939 0.031 1
1 51 . 6 1 1 A 5 5 GLU C C 16 179.600 178.943 0.657 1
1 52 . 6 1 1 A 5 5 GLU CA C 16 59.200 58.950 0.250 1
1 53 . 6 1 1 A 5 5 GLU CB C 16 29.400 29.090 0.310 1
1 55 . 6 1 1 A 5 5 GLU N N 16 120.400 120.321 0.079 1
1 56 . 6 1 1 A 6 6 GLN H H 17 7.930 7.205 0.725 1
1 57 . 6 1 1 A 6 6 GLN HA H 17 3.560 3.747 -0.187 1
1 64 . 6 1 1 A 6 6 GLN CA C 17 58.600 58.329 0.271 1
1 65 . 6 1 1 A 6 6 GLN CB C 17 28.100 27.897 0.203 1
1 68 . 6 1 1 A 6 6 GLN N N 17 117.900 118.894 -0.994 1
1 70 . 6 1 1 A 7 7 LYS H H 18 8.120 7.413 0.707 1
1 71 . 6 1 1 A 7 7 LYS HA H 18 3.350 3.791 -0.441 1
1 80 . 6 1 1 A 7 7 LYS C C 18 179.900 179.406 0.494 1
1 81 . 6 1 1 A 7 7 LYS CA C 18 60.600 59.399 1.201 1
1 82 . 6 1 1 A 7 7 LYS CB C 18 32.000 31.633 0.367 1
1 86 . 6 1 1 A 7 7 LYS N N 18 118.800 119.805 -1.005 1
1 87 . 6 1 1 A 8 8 GLU H H 19 7.740 7.926 -0.186 1
1 88 . 6 1 1 A 8 8 GLU HA H 19 4.040 4.053 -0.013 1
1 93 . 6 1 1 A 8 8 GLU C C 19 179.000 179.322 -0.322 1
1 94 . 6 1 1 A 8 8 GLU CA C 19 59.800 59.054 0.746 1
1 95 . 6 1 1 A 8 8 GLU CB C 19 29.100 29.317 -0.217 1
1 97 . 6 1 1 A 8 8 GLU N N 19 121.300 120.140 1.160 1
1 98 . 6 1 1 A 9 9 LYS H H 20 7.500 7.325 0.175 1
1 99 . 6 1 1 A 9 9 LYS HA H 20 3.950 4.037 -0.087 1
1 108 . 6 1 1 A 9 9 LYS C C 20 178.100 179.520 -1.420 1
1 109 . 6 1 1 A 9 9 LYS CA C 20 60.500 59.370 1.130 1
1 110 . 6 1 1 A 9 9 LYS CB C 20 32.200 31.960 0.240 1
1 114 . 6 1 1 A 9 9 LYS N N 20 120.100 119.276 0.824 1
1 115 . 6 1 1 A 10 10 VAL H H 21 8.030 7.611 0.419 1
1 116 . 6 1 1 A 10 10 VAL HA H 21 3.410 3.655 -0.245 1
1 124 . 6 1 1 A 10 10 VAL C C 21 177.400 178.246 -0.846 1
1 125 . 6 1 1 A 10 10 VAL CA C 21 66.600 66.249 0.351 1
1 126 . 6 1 1 A 10 10 VAL CB C 21 31.800 31.830 -0.030 1
1 129 . 6 1 1 A 10 10 VAL N N 21 117.300 119.598 -2.298 1
1 130 . 6 1 1 A 11 11 THR H H 22 8.230 8.255 -0.025 1
1 131 . 6 1 1 A 11 11 THR HA H 22 3.580 3.949 -0.369 1
1 137 . 6 1 1 A 11 11 THR C C 22 174.700 176.198 -1.498 1
1 138 . 6 1 1 A 11 11 THR CA C 22 68.700 66.946 1.754 1
1 139 . 6 1 1 A 11 11 THR CB C 22 68.500 68.321 0.179 1
1 141 . 6 1 1 A 11 11 THR N N 22 115.700 117.567 -1.867 1
1 142 . 6 1 1 A 12 12 LEU H H 23 7.780 8.199 -0.419 1
1 143 . 6 1 1 A 12 12 LEU HA H 23 3.930 3.761 0.169 1
1 153 . 6 1 1 A 12 12 LEU C C 23 178.400 178.308 0.092 1
1 154 . 6 1 1 A 12 12 LEU CA C 23 58.500 58.078 0.422 1
1 155 . 6 1 1 A 12 12 LEU CB C 23 42.300 41.646 0.654 1
1 159 . 6 1 1 A 12 12 LEU N N 23 121.400 121.299 0.101 1
1 160 . 6 1 1 A 13 13 TYR H H 24 7.970 8.487 -0.517 1
1 161 . 6 1 1 A 13 13 TYR HA H 24 3.910 4.150 -0.240 1
1 168 . 6 1 1 A 13 13 TYR C C 24 177.400 177.081 0.319 1
1 169 . 6 1 1 A 13 13 TYR CA C 24 61.700 61.460 0.240 1
1 170 . 6 1 1 A 13 13 TYR CB C 24 39.400 38.828 0.572 1
1 175 . 6 1 1 A 13 13 TYR N N 24 119.100 119.519 -0.419 1
1 176 . 6 1 1 A 14 14 LEU H H 25 8.230 8.545 -0.315 1
1 177 . 6 1 1 A 14 14 LEU HA H 25 3.400 3.740 -0.340 1
1 187 . 6 1 1 A 14 14 LEU C C 25 177.200 179.107 -1.907 1
1 188 . 6 1 1 A 14 14 LEU CA C 25 57.600 57.813 -0.213 1
1 189 . 6 1 1 A 14 14 LEU CB C 25 42.200 41.213 0.987 1
1 193 . 6 1 1 A 14 14 LEU N N 25 119.600 119.605 -0.005 1
1 194 . 6 1 1 A 15 15 LYS H H 26 8.010 8.043 -0.033 1
1 195 . 6 1 1 A 15 15 LYS HA H 26 3.230 3.596 -0.366 1
1 204 . 6 1 1 A 15 15 LYS C C 26 178.800 178.568 0.232 1
1 205 . 6 1 1 A 15 15 LYS CA C 26 59.000 58.860 0.140 1
1 206 . 6 1 1 A 15 15 LYS CB C 26 32.600 31.786 0.814 1
1 210 . 6 1 1 A 15 15 LYS N N 26 117.000 119.915 -2.915 1
1 211 . 6 1 1 A 16 16 HIS H H 27 7.890 7.398 0.492 1
1 212 . 6 1 1 A 16 16 HIS HA H 27 4.030 4.191 -0.161 1
1 217 . 6 1 1 A 16 16 HIS C C 27 175.900 176.740 -0.840 1
1 218 . 6 1 1 A 16 16 HIS CA C 27 59.000 59.835 -0.835 1
1 219 . 6 1 1 A 16 16 HIS CB C 27 30.900 30.897 0.003 1
1 222 . 6 1 1 A 16 16 HIS N N 27 113.200 117.267 -4.067 1
1 223 . 6 1 1 A 17 17 ASN H H 28 6.950 7.690 -0.740 1
1 224 . 6 1 1 A 17 17 ASN HA H 28 4.900 4.525 0.375 1
1 229 . 6 1 1 A 17 17 ASN C C 28 172.900 174.873 -1.973 1
1 230 . 6 1 1 A 17 17 ASN CA C 28 54.100 53.628 0.472 1
1 231 . 6 1 1 A 17 17 ASN CB C 28 42.500 38.697 3.803 1
1 233 . 6 1 1 A 17 17 ASN N N 28 112.200 113.825 -1.625 1
1 235 . 6 1 1 A 18 18 ILE H H 29 7.310 7.642 -0.332 1
1 236 . 6 1 1 A 18 18 ILE HA H 29 4.560 4.664 -0.104 1
1 246 . 6 1 1 A 18 18 ILE CA C 29 58.000 58.170 -0.170 1
1 247 . 6 1 1 A 18 18 ILE CB C 29 38.000 39.276 -1.276 1
1 251 . 6 1 1 A 18 18 ILE N N 29 119.300 119.054 0.246 1
1 252 . 6 1 1 A 19 19 PRO HA H 30 4.170 4.375 -0.205 1
1 259 . 6 1 1 A 19 19 PRO C C 30 178.000 177.494 0.506 1
1 260 . 6 1 1 A 19 19 PRO CA C 30 65.700 65.185 0.515 1
1 261 . 6 1 1 A 19 19 PRO CB C 30 32.100 31.802 0.298 1
1 264 . 6 1 1 A 20 20 ASP H H 31 8.470 8.439 0.031 1
1 265 . 6 1 1 A 20 20 ASP HA H 31 4.790 4.745 0.045 1
1 268 . 6 1 1 A 20 20 ASP C C 31 175.600 175.861 -0.261 1
1 269 . 6 1 1 A 20 20 ASP CA C 31 53.800 53.997 -0.197 1
1 270 . 6 1 1 A 20 20 ASP CB C 31 39.600 40.854 -1.254 1
1 271 . 6 1 1 A 20 20 ASP N N 31 113.700 116.911 -3.211 1
1 272 . 6 1 1 A 21 21 PHE H H 32 7.890 7.818 0.072 1
1 273 . 6 1 1 A 21 21 PHE HA H 32 3.810 4.347 -0.537 1
1 281 . 6 1 1 A 21 21 PHE C C 32 174.200 174.701 -0.501 1
1 282 . 6 1 1 A 21 21 PHE CA C 32 61.100 59.575 1.525 1
1 283 . 6 1 1 A 21 21 PHE CB C 32 39.900 39.905 -0.005 1
1 289 . 6 1 1 A 21 21 PHE N N 32 122.200 123.561 -1.361 1
1 290 . 6 1 1 A 22 22 ASN H H 33 9.380 8.480 0.900 1
1 291 . 6 1 1 A 22 22 ASN HA H 33 4.680 4.824 -0.144 1
1 296 . 6 1 1 A 22 22 ASN C C 33 173.600 175.005 -1.405 1
1 297 . 6 1 1 A 22 22 ASN CA C 33 54.600 54.296 0.304 1
1 298 . 6 1 1 A 22 22 ASN CB C 33 41.700 39.758 1.942 1
1 300 . 6 1 1 A 22 22 ASN N N 33 126.600 122.844 3.756 1
1 302 . 6 1 1 A 23 23 THR H H 34 7.010 7.215 -0.205 1
1 303 . 6 1 1 A 23 23 THR HA H 34 4.280 4.513 -0.233 1
1 308 . 6 1 1 A 23 23 THR C C 34 171.100 171.300 -0.200 1
1 309 . 6 1 1 A 23 23 THR CA C 34 60.300 60.351 -0.051 1
1 310 . 6 1 1 A 23 23 THR CB C 34 71.100 70.821 0.279 1
1 312 . 6 1 1 A 23 23 THR N N 34 109.600 109.356 0.244 1
1 313 . 6 1 1 A 24 24 VAL H H 35 8.290 8.875 -0.585 1
1 314 . 6 1 1 A 24 24 VAL HA H 35 4.850 4.846 0.004 1
1 322 . 6 1 1 A 24 24 VAL C C 35 171.400 173.559 -2.159 1
1 323 . 6 1 1 A 24 24 VAL CA C 35 59.300 59.834 -0.534 1
1 324 . 6 1 1 A 24 24 VAL CB C 35 35.500 35.344 0.156 1
1 327 . 6 1 1 A 24 24 VAL N N 35 119.500 123.366 -3.866 1
1 328 . 6 1 1 A 25 25 THR H H 36 8.200 8.534 -0.334 1
1 329 . 6 1 1 A 25 25 THR HA H 36 4.150 4.874 -0.724 1
1 334 . 6 1 1 A 25 25 THR C C 36 171.900 173.232 -1.332 1
1 335 . 6 1 1 A 25 25 THR CA C 36 61.100 60.584 0.516 1
1 336 . 6 1 1 A 25 25 THR CB C 36 70.900 70.586 0.314 1
1 338 . 6 1 1 A 25 25 THR N N 36 125.200 123.146 2.054 1
1 339 . 6 1 1 A 26 26 PHE H H 37 8.900 8.780 0.120 1
1 340 . 6 1 1 A 26 26 PHE HA H 37 5.140 4.907 0.233 1
1 348 . 6 1 1 A 26 26 PHE C C 37 176.900 176.013 0.887 1
1 349 . 6 1 1 A 26 26 PHE CA C 37 58.100 56.818 1.282 1
1 350 . 6 1 1 A 26 26 PHE CB C 37 39.900 40.761 -0.861 1
1 356 . 6 1 1 A 26 26 PHE N N 37 124.500 125.922 -1.422 1
1 357 . 6 1 1 A 27 27 THR H H 38 9.090 8.706 0.384 1
1 358 . 6 1 1 A 27 27 THR HA H 38 4.430 4.676 -0.246 1
1 363 . 6 1 1 A 27 27 THR C C 38 174.800 174.348 0.452 1
1 364 . 6 1 1 A 27 27 THR CA C 38 61.600 62.020 -0.420 1
1 365 . 6 1 1 A 27 27 THR CB C 38 69.400 70.946 -1.546 1
1 367 . 6 1 1 A 27 27 THR N N 38 114.000 112.927 1.073 1
1 368 . 6 1 1 A 28 28 ASN H H 39 7.880 7.701 0.179 1
1 369 . 6 1 1 A 28 28 ASN HA H 39 4.780 5.329 -0.549 1
1 374 . 6 1 1 A 28 28 ASN C C 39 173.700 174.185 -0.485 1
1 375 . 6 1 1 A 28 28 ASN CA C 39 54.100 52.215 1.885 1
1 376 . 6 1 1 A 28 28 ASN CB C 39 40.800 40.623 0.177 1
1 378 . 6 1 1 A 28 28 ASN N N 39 118.900 118.908 -0.008 1
1 380 . 6 1 1 A 29 29 GLU H H 40 8.150 8.825 -0.675 1
1 381 . 6 1 1 A 29 29 GLU HA H 40 4.560 5.234 -0.674 1
1 386 . 6 1 1 A 29 29 GLU C C 40 174.800 173.900 0.900 1
1 387 . 6 1 1 A 29 29 GLU CA C 40 55.600 55.242 0.358 1
1 388 . 6 1 1 A 29 29 GLU CB C 40 30.500 33.595 -3.095 1
1 390 . 6 1 1 A 29 29 GLU N N 40 121.700 119.369 2.331 1
1 391 . 6 1 1 A 30 30 GLU H H 41 8.410 8.827 -0.417 1
1 392 . 6 1 1 A 30 30 GLU HA H 41 4.410 4.860 -0.450 1
1 397 . 6 1 1 A 30 30 GLU C C 41 175.100 174.469 0.631 1
1 398 . 6 1 1 A 30 30 GLU CA C 41 55.400 54.815 0.585 1
1 399 . 6 1 1 A 30 30 GLU CB C 41 32.200 33.731 -1.531 1
1 401 . 6 1 1 A 30 30 GLU N N 41 120.500 120.680 -0.180 1
1 402 . 6 1 1 A 31 31 PHE H H 42 8.570 9.147 -0.577 1
1 403 . 6 1 1 A 31 31 PHE HA H 42 4.820 5.033 -0.213 1
1 411 . 6 1 1 A 31 31 PHE C C 42 174.800 175.047 -0.247 1
1 412 . 6 1 1 A 31 31 PHE CA C 42 57.800 57.828 -0.028 1
1 413 . 6 1 1 A 31 31 PHE CB C 42 40.200 40.124 0.076 1
1 419 . 6 1 1 A 31 31 PHE N N 42 120.700 122.507 -1.807 1
1 420 . 6 1 1 A 32 32 ASN H H 43 8.350 9.519 -1.169 1
1 421 . 6 1 1 A 32 32 ASN HA H 43 4.950 5.109 -0.159 1
1 426 . 6 1 1 A 32 32 ASN CA C 43 51.600 51.560 0.040 1
1 427 . 6 1 1 A 32 32 ASN CB C 43 39.300 38.131 1.169 1
1 429 . 6 1 1 A 32 32 ASN N N 43 122.000 123.349 -1.349 1
1 431 . 6 1 1 A 33 33 PRO HA H 44 4.260 4.447 -0.187 1
1 438 . 6 1 1 A 33 33 PRO C C 44 177.400 177.607 -0.207 1
1 439 . 6 1 1 A 33 33 PRO CA C 44 65.300 64.444 0.856 1
1 440 . 6 1 1 A 33 33 PRO CB C 44 32.200 32.145 0.055 1
1 443 . 6 1 1 A 34 34 ILE H H 45 7.840 7.995 -0.155 1
1 444 . 6 1 1 A 34 34 ILE HA H 45 4.240 4.344 -0.104 1
1 454 . 6 1 1 A 34 34 ILE C C 45 176.400 175.541 0.859 1
1 455 . 6 1 1 A 34 34 ILE CA C 45 61.000 61.250 -0.250 1
1 456 . 6 1 1 A 34 34 ILE CB C 45 38.600 39.248 -0.648 1
1 460 . 6 1 1 A 34 34 ILE N N 45 113.700 116.141 -2.441 1
1 461 . 6 1 1 A 35 35 GLY H H 46 7.860 7.543 0.317 1
1 462 . 6 1 1 A 35 35 GLY HA2 H 46 3.870 4.139 -0.269 1
1 463 . 6 1 1 A 35 35 GLY HA3 H 46 4.130 4.142 -0.012 1
1 464 . 6 1 1 A 35 35 GLY C C 46 172.700 171.721 0.979 1
1 465 . 6 1 1 A 35 35 GLY CA C 46 45.900 45.943 -0.043 1
1 466 . 6 1 1 A 35 35 GLY N N 46 111.900 109.665 2.235 1
1 467 . 6 1 1 A 36 36 ILE H H 47 8.180 8.685 -0.505 1
1 468 . 6 1 1 A 36 36 ILE HA H 47 4.720 5.136 -0.416 1
1 478 . 6 1 1 A 36 36 ILE C C 47 174.900 174.467 0.433 1
1 479 . 6 1 1 A 36 36 ILE CA C 47 60.500 58.615 1.885 1
1 480 . 6 1 1 A 36 36 ILE CB C 47 40.800 41.943 -1.143 1
1 484 . 6 1 1 A 36 36 ILE N N 47 118.300 119.433 -1.133 1
1 485 . 6 1 1 A 37 37 SER H H 48 8.430 9.132 -0.702 1
1 486 . 6 1 1 A 37 37 SER HA H 48 4.990 5.047 -0.057 1
1 489 . 6 1 1 A 37 37 SER C C 48 172.900 173.842 -0.942 1
1 490 . 6 1 1 A 37 37 SER CA C 48 57.800 57.797 0.003 1
1 491 . 6 1 1 A 37 37 SER CB C 48 65.600 64.481 1.119 1
1 492 . 6 1 1 A 37 37 SER N N 48 116.700 119.324 -2.624 1
1 493 . 6 1 1 A 38 38 ILE H H 49 9.150 9.056 0.094 1
1 494 . 6 1 1 A 38 38 ILE HA H 49 4.720 4.846 -0.126 1
1 504 . 6 1 1 A 38 38 ILE C C 49 173.900 174.139 -0.239 1
1 505 . 6 1 1 A 38 38 ILE CA C 49 60.600 59.998 0.602 1
1 506 . 6 1 1 A 38 38 ILE CB C 49 41.000 40.347 0.653 1
1 510 . 6 1 1 A 38 38 ILE N N 49 124.300 127.581 -3.281 1
1 511 . 6 1 1 A 39 39 ASP H H 50 8.700 8.991 -0.291 1
1 512 . 6 1 1 A 39 39 ASP HA H 50 5.540 5.501 0.039 1
1 515 . 6 1 1 A 39 39 ASP C C 50 176.200 175.126 1.074 1
1 516 . 6 1 1 A 39 39 ASP CA C 50 52.300 52.223 0.077 1
1 517 . 6 1 1 A 39 39 ASP CB C 50 44.300 44.124 0.176 1
1 518 . 6 1 1 A 39 39 ASP N N 50 126.600 128.104 -1.504 1
1 519 . 6 1 1 A 40 40 GLY H H 51 7.100 7.302 -0.202 1
1 520 . 6 1 1 A 40 40 GLY HA2 H 51 3.780 3.859 -0.079 1
1 521 . 6 1 1 A 40 40 GLY HA3 H 51 4.070 4.100 -0.030 1
1 522 . 6 1 1 A 40 40 GLY C C 51 170.100 171.814 -1.714 1
1 523 . 6 1 1 A 40 40 GLY CA C 51 47.200 45.478 1.722 1
1 524 . 6 1 1 A 40 40 GLY N N 51 106.400 111.501 -5.101 1
1 525 . 6 1 1 A 41 41 TYR H H 52 8.390 8.137 0.253 1
1 526 . 6 1 1 A 41 41 TYR HA H 52 5.530 6.021 -0.491 1
1 533 . 6 1 1 A 41 41 TYR C C 52 175.200 173.214 1.986 1
1 534 . 6 1 1 A 41 41 TYR CA C 52 56.000 56.071 -0.071 1
1 535 . 6 1 1 A 41 41 TYR CB C 52 39.200 42.133 -2.933 1
1 540 . 6 1 1 A 41 41 TYR N N 52 113.900 116.062 -2.162 1
1 541 . 6 1 1 A 42 42 ILE H H 53 8.420 8.408 0.012 1
1 542 . 6 1 1 A 42 42 ILE HA H 53 5.450 4.761 0.689 1
1 552 . 6 1 1 A 42 42 ILE C C 53 174.500 175.134 -0.634 1
1 553 . 6 1 1 A 42 42 ILE CA C 53 59.300 59.363 -0.063 1
1 554 . 6 1 1 A 42 42 ILE CB C 53 40.700 40.934 -0.234 1
1 558 . 6 1 1 A 42 42 ILE N N 53 113.200 117.418 -4.218 1
1 559 . 6 1 1 A 43 43 ASN H H 54 8.760 9.170 -0.410 1
1 560 . 6 1 1 A 43 43 ASN HA H 54 4.120 4.368 -0.248 1
1 565 . 6 1 1 A 43 43 ASN C C 54 173.900 174.529 -0.629 1
1 566 . 6 1 1 A 43 43 ASN CA C 54 53.300 54.581 -1.281 1
1 567 . 6 1 1 A 43 43 ASN CB C 54 35.500 37.017 -1.517 1
1 569 . 6 1 1 A 43 43 ASN N N 54 116.700 118.655 -1.955 1
1 571 . 6 1 1 A 44 44 ASN H H 55 9.270 8.591 0.679 1
1 572 . 6 1 1 A 44 44 ASN HA H 55 4.260 4.461 -0.201 1
1 577 . 6 1 1 A 44 44 ASN C C 55 173.600 173.486 0.114 1
1 578 . 6 1 1 A 44 44 ASN CA C 55 54.800 54.822 -0.022 1
1 579 . 6 1 1 A 44 44 ASN CB C 55 38.100 37.309 0.791 1
1 581 . 6 1 1 A 44 44 ASN N N 55 110.300 108.688 1.612 1
1 583 . 6 1 1 A 45 45 ASP H H 56 8.100 7.936 0.164 1
1 584 . 6 1 1 A 45 45 ASP HA H 56 4.760 4.750 0.010 1
1 587 . 6 1 1 A 45 45 ASP C C 56 175.900 176.173 -0.273 1
1 588 . 6 1 1 A 45 45 ASP CA C 56 52.600 52.807 -0.207 1
1 589 . 6 1 1 A 45 45 ASP CB C 56 42.000 41.471 0.529 1
1 590 . 6 1 1 A 45 45 ASP N N 56 119.500 118.399 1.101 1
1 591 . 6 1 1 A 46 46 LYS H H 57 8.260 8.516 -0.256 1
1 592 . 6 1 1 A 46 46 LYS HA H 57 2.760 3.658 -0.898 1
1 601 . 6 1 1 A 46 46 LYS C C 57 177.100 178.473 -1.373 1
1 602 . 6 1 1 A 46 46 LYS CA C 57 58.400 58.521 -0.121 1
1 603 . 6 1 1 A 46 46 LYS CB C 57 31.700 31.827 -0.127 1
1 607 . 6 1 1 A 46 46 LYS N N 57 124.100 125.094 -0.994 1
1 608 . 6 1 1 A 47 47 ASN H H 58 8.610 8.134 0.476 1
1 609 . 6 1 1 A 47 47 ASN HA H 58 4.620 4.510 0.110 1
1 614 . 6 1 1 A 47 47 ASN C C 58 177.000 176.584 0.416 1
1 615 . 6 1 1 A 47 47 ASN CA C 58 54.400 56.218 -1.818 1
1 616 . 6 1 1 A 47 47 ASN CB C 58 38.500 38.447 0.053 1
1 618 . 6 1 1 A 47 47 ASN N N 58 114.800 117.241 -2.441 1
1 620 . 6 1 1 A 48 48 LEU H H 59 8.470 7.879 0.591 1
1 621 . 6 1 1 A 48 48 LEU HA H 59 4.470 4.500 -0.030 1
1 631 . 6 1 1 A 48 48 LEU C C 59 175.300 175.549 -0.249 1
1 632 . 6 1 1 A 48 48 LEU CA C 59 52.800 54.223 -1.423 1
1 633 . 6 1 1 A 48 48 LEU CB C 59 39.100 40.322 -1.222 1
1 637 . 6 1 1 A 48 48 LEU N N 59 125.800 119.766 6.034 1
1 638 . 6 1 1 A 49 49 SER H H 60 7.270 8.228 -0.958 1
1 639 . 6 1 1 A 49 49 SER HA H 60 5.230 5.474 -0.244 1
1 642 . 6 1 1 A 49 49 SER C C 60 173.200 174.027 -0.827 1
1 643 . 6 1 1 A 49 49 SER CA C 60 56.900 58.630 -1.730 1
1 644 . 6 1 1 A 49 49 SER CB C 60 66.500 64.635 1.865 1
1 645 . 6 1 1 A 49 49 SER N N 60 112.400 121.307 -8.907 1
1 646 . 6 1 1 A 50 50 PHE H H 61 8.260 8.254 0.006 1
1 647 . 6 1 1 A 50 50 PHE HA H 61 5.490 5.573 -0.083 1
1 655 . 6 1 1 A 50 50 PHE C C 61 174.500 172.951 1.549 1
1 656 . 6 1 1 A 50 50 PHE CA C 61 56.300 55.783 0.517 1
1 657 . 6 1 1 A 50 50 PHE CB C 61 44.600 42.896 1.704 1
1 663 . 6 1 1 A 50 50 PHE N N 61 114.200 119.320 -5.120 1
1 664 . 6 1 1 A 51 51 THR H H 62 8.520 8.738 -0.218 1
1 665 . 6 1 1 A 51 51 THR HA H 62 5.140 5.372 -0.232 1
1 670 . 6 1 1 A 51 51 THR C C 62 172.600 173.561 -0.961 1
1 671 . 6 1 1 A 51 51 THR CA C 62 62.000 61.056 0.944 1
1 672 . 6 1 1 A 51 51 THR CB C 62 72.000 72.173 -0.173 1
1 674 . 6 1 1 A 51 51 THR N N 62 116.000 114.980 1.020 1
1 675 . 6 1 1 A 52 52 ALA H H 63 9.870 9.002 0.868 1
1 676 . 6 1 1 A 52 52 ALA HA H 63 5.180 5.544 -0.364 1
1 680 . 6 1 1 A 52 52 ALA C C 63 176.300 175.716 0.584 1
1 681 . 6 1 1 A 52 52 ALA CA C 63 50.300 50.541 -0.241 1
1 682 . 6 1 1 A 52 52 ALA CB C 63 24.000 22.998 1.002 1
1 683 . 6 1 1 A 52 52 ALA N N 63 130.400 127.504 2.896 1
1 684 . 6 1 1 A 53 53 GLY H H 64 8.340 8.716 -0.376 1
1 685 . 6 1 1 A 53 53 GLY HA2 H 64 3.630 4.135 -0.505 1
1 686 . 6 1 1 A 53 53 GLY HA3 H 64 4.830 4.138 0.692 1
1 687 . 6 1 1 A 53 53 GLY C C 64 173.200 174.747 -1.547 1
1 688 . 6 1 1 A 53 53 GLY CA C 64 43.200 45.291 -2.091 1
1 689 . 6 1 1 A 53 53 GLY N N 64 107.100 108.996 -1.896 1
1 690 . 6 1 1 A 54 54 LYS H H 65 8.430 9.106 -0.676 1
1 691 . 6 1 1 A 54 54 LYS HA H 65 3.750 4.173 -0.423 1
1 700 . 6 1 1 A 54 54 LYS CA C 65 58.300 59.882 -1.582 1
1 701 . 6 1 1 A 54 54 LYS CB C 65 32.600 32.221 0.379 1
1 705 . 6 1 1 A 54 54 LYS N N 65 119.300 124.585 -5.285 1
1 708 . 6 1 1 A 55 55 ASP C C 66 172.900 175.608 -2.708 1
1 709 . 6 1 1 A 56 56 VAL H H 67 8.510 8.017 0.493 1
1 710 . 6 1 1 A 56 56 VAL HA H 67 3.100 3.671 -0.571 1
1 718 . 6 1 1 A 56 56 VAL C C 67 176.400 175.870 0.530 1
1 719 . 6 1 1 A 56 56 VAL CA C 67 62.800 63.187 -0.387 1
1 720 . 6 1 1 A 56 56 VAL CB C 67 30.400 29.394 1.006 1
1 723 . 6 1 1 A 56 56 VAL N N 67 112.700 114.571 -1.871 1
1 724 . 6 1 1 A 57 57 LYS H H 68 7.580 7.930 -0.350 1
1 725 . 6 1 1 A 57 57 LYS HA H 68 4.000 4.004 -0.004 1
1 734 . 6 1 1 A 57 57 LYS C C 68 176.700 175.963 0.737 1
1 735 . 6 1 1 A 57 57 LYS CA C 68 58.400 58.793 -0.393 1
1 736 . 6 1 1 A 57 57 LYS CB C 68 32.100 33.099 -0.999 1
1 740 . 6 1 1 A 57 57 LYS N N 68 118.700 121.574 -2.874 1
1 741 . 6 1 1 A 58 58 ILE H H 69 7.160 7.752 -0.592 1
1 742 . 6 1 1 A 58 58 ILE HA H 69 4.270 4.795 -0.525 1
1 752 . 6 1 1 A 58 58 ILE C C 69 174.300 173.707 0.593 1
1 753 . 6 1 1 A 58 58 ILE CA C 69 59.900 59.146 0.754 1
1 754 . 6 1 1 A 58 58 ILE CB C 69 41.000 41.757 -0.757 1
1 758 . 6 1 1 A 58 58 ILE N N 69 115.700 118.237 -2.537 1
1 759 . 6 1 1 A 59 59 PHE H H 70 8.560 8.871 -0.311 1
1 760 . 6 1 1 A 59 59 PHE HA H 70 4.890 5.563 -0.673 1
1 765 . 6 1 1 A 59 59 PHE C C 70 173.500 173.635 -0.135 1
1 766 . 6 1 1 A 59 59 PHE CA C 70 58.700 56.037 2.663 1
1 767 . 6 1 1 A 59 59 PHE CB C 70 42.400 42.428 -0.028 1
1 770 . 6 1 1 A 59 59 PHE N N 70 127.500 130.547 -3.047 1
1 771 . 6 1 1 A 60 60 SER H H 71 8.430 8.221 0.209 1
1 772 . 6 1 1 A 60 60 SER HA H 71 4.850 4.931 -0.081 1
1 775 . 6 1 1 A 60 60 SER C C 71 172.100 172.202 -0.102 1
1 776 . 6 1 1 A 60 60 SER CA C 71 56.900 56.373 0.527 1
1 777 . 6 1 1 A 60 60 SER CB C 71 65.000 65.808 -0.808 1
1 778 . 6 1 1 A 60 60 SER N N 71 124.200 123.140 1.060 1
1 779 . 6 1 1 A 61 61 SER H H 72 8.630 8.420 0.210 1
1 780 . 6 1 1 A 61 61 SER HA H 72 5.380 5.050 0.330 1
1 783 . 6 1 1 A 61 61 SER C C 72 174.700 173.417 1.283 1
1 784 . 6 1 1 A 61 61 SER CA C 72 57.400 56.385 1.015 1
1 785 . 6 1 1 A 61 61 SER CB C 72 68.200 65.881 2.319 1
1 786 . 6 1 1 A 61 61 SER N N 72 116.900 117.260 -0.360 1
1 787 . 6 1 1 A 62 62 SER H H 73 8.810 8.444 0.366 1
1 788 . 6 1 1 A 62 62 SER HA H 73 4.570 4.678 -0.108 1
1 792 . 6 1 1 A 62 62 SER C C 73 175.000 176.030 -1.030 1
1 793 . 6 1 1 A 62 62 SER CA C 73 57.600 57.334 0.266 1
1 794 . 6 1 1 A 62 62 SER CB C 73 65.400 65.253 0.147 1
1 795 . 6 1 1 A 62 62 SER N N 73 117.000 116.302 0.698 1
1 796 . 6 1 1 A 63 63 GLU H H 74 9.240 9.034 0.206 1
1 797 . 6 1 1 A 63 63 GLU HA H 74 4.140 4.019 0.121 1
1 802 . 6 1 1 A 63 63 GLU C C 74 179.000 178.585 0.415 1
1 803 . 6 1 1 A 63 63 GLU CA C 74 60.100 59.760 0.340 1
1 804 . 6 1 1 A 63 63 GLU CB C 74 29.600 29.414 0.186 1
1 806 . 6 1 1 A 63 63 GLU N N 74 123.600 120.629 2.971 1
1 807 . 6 1 1 A 64 64 GLU H H 75 8.970 8.075 0.895 1
1 808 . 6 1 1 A 64 64 GLU HA H 75 3.950 4.153 -0.203 1
1 813 . 6 1 1 A 64 64 GLU C C 75 179.000 179.478 -0.478 1
1 814 . 6 1 1 A 64 64 GLU CA C 75 60.100 58.729 1.371 1
1 815 . 6 1 1 A 64 64 GLU CB C 75 29.500 29.995 -0.495 1
1 817 . 6 1 1 A 64 64 GLU N N 75 117.000 120.612 -3.612 1
1 818 . 6 1 1 A 65 65 LEU H H 76 7.740 8.005 -0.265 1
1 819 . 6 1 1 A 65 65 LEU HA H 76 4.330 4.179 0.151 1
1 829 . 6 1 1 A 65 65 LEU C C 76 178.900 178.545 0.355 1
1 830 . 6 1 1 A 65 65 LEU CA C 76 57.500 57.572 -0.072 1
1 831 . 6 1 1 A 65 65 LEU CB C 76 41.800 41.205 0.595 1
1 835 . 6 1 1 A 65 65 LEU N N 76 119.900 121.775 -1.875 1
1 836 . 6 1 1 A 66 66 ASP H H 77 8.620 8.485 0.135 1
1 837 . 6 1 1 A 66 66 ASP HA H 77 4.580 4.487 0.093 1
1 840 . 6 1 1 A 66 66 ASP C C 77 178.800 178.651 0.149 1
1 841 . 6 1 1 A 66 66 ASP CA C 77 58.300 57.864 0.436 1
1 842 . 6 1 1 A 66 66 ASP CB C 77 42.100 41.315 0.785 1
1 843 . 6 1 1 A 66 66 ASP N N 77 120.300 119.227 1.073 1
1 844 . 6 1 1 A 67 67 LYS H H 78 7.210 7.557 -0.347 1
1 845 . 6 1 1 A 67 67 LYS HA H 78 4.240 4.048 0.192 1
1 854 . 6 1 1 A 67 67 LYS C C 78 177.400 179.776 -2.376 1
1 855 . 6 1 1 A 67 67 LYS CA C 78 58.000 59.243 -1.243 1
1 856 . 6 1 1 A 67 67 LYS CB C 78 33.000 31.998 1.002 1
1 860 . 6 1 1 A 67 67 LYS N N 78 113.200 118.938 -5.738 1
1 861 . 6 1 1 A 68 68 MET H H 79 8.210 8.227 -0.017 1
1 862 . 6 1 1 A 68 68 MET HA H 79 4.270 4.273 -0.003 1
1 870 . 6 1 1 A 68 68 MET C C 79 176.800 177.238 -0.438 1
1 871 . 6 1 1 A 68 68 MET CA C 79 56.800 58.332 -1.532 1
1 872 . 6 1 1 A 68 68 MET CB C 79 33.900 33.234 0.666 1
1 875 . 6 1 1 A 68 68 MET N N 79 116.400 118.553 -2.153 1
1 876 . 6 1 1 A 69 69 PHE H H 80 7.330 7.839 -0.509 1
1 877 . 6 1 1 A 69 69 PHE HA H 80 4.300 4.681 -0.381 1
1 882 . 6 1 1 A 69 69 PHE C C 80 176.900 175.356 1.544 1
1 883 . 6 1 1 A 69 69 PHE CA C 80 59.300 58.335 0.965 1
1 884 . 6 1 1 A 69 69 PHE CB C 80 40.600 39.174 1.426 1
1 887 . 6 1 1 A 69 69 PHE N N 80 118.100 121.231 -3.131 1
1 888 . 6 1 1 A 70 70 GLN H H 81 8.540 8.481 0.059 1
1 889 . 6 1 1 A 70 70 GLN HA H 81 4.450 4.314 0.136 1
1 896 . 6 1 1 A 70 70 GLN C C 81 174.200 174.389 -0.189 1
1 897 . 6 1 1 A 70 70 GLN CA C 81 55.000 55.204 -0.204 1
1 898 . 6 1 1 A 70 70 GLN CB C 81 29.400 30.355 -0.955 1
1 901 . 6 1 1 A 70 70 GLN N N 81 121.600 124.433 -2.833 1
1 903 . 6 1 1 A 71 71 GLU H H 82 8.340 7.081 1.259 1
1 904 . 6 1 1 A 71 71 GLU HA H 82 4.780 4.271 0.509 1
1 909 . 6 1 1 A 71 71 GLU CA C 82 53.100 52.627 0.473 1
1 910 . 6 1 1 A 71 71 GLU CB C 82 30.600 30.178 0.422 1
1 912 . 6 1 1 A 71 71 GLU N N 82 122.900 120.169 2.731 1
1 913 . 6 1 1 A 72 72 PRO HA H 83 4.880 4.546 0.334 1
1 920 . 6 1 1 A 72 72 PRO C C 83 176.200 176.692 -0.492 1
1 921 . 6 1 1 A 72 72 PRO CA C 83 62.100 63.140 -1.040 1
1 922 . 6 1 1 A 72 72 PRO CB C 83 33.800 31.929 1.871 1
1 925 . 6 1 1 A 73 73 ARG H H 84 8.580 8.603 -0.023 1
1 926 . 6 1 1 A 73 73 ARG HA H 84 4.390 4.542 -0.152 1
1 934 . 6 1 1 A 73 73 ARG C C 84 176.000 176.037 -0.037 1
1 935 . 6 1 1 A 73 73 ARG CA C 84 56.000 56.075 -0.075 1
1 936 . 6 1 1 A 73 73 ARG CB C 84 31.100 30.653 0.447 1
1 940 . 6 1 1 A 73 73 ARG N N 84 123.400 118.691 4.709 1
1 942 . 6 1 1 A 74 74 LYS H H 85 9.080 9.232 -0.152 1
1 943 . 6 1 1 A 74 74 LYS HA H 85 4.540 5.046 -0.506 1
1 952 . 6 1 1 A 74 74 LYS C C 85 176.500 176.689 -0.189 1
1 953 . 6 1 1 A 74 74 LYS CA C 85 55.000 54.584 0.416 1
1 954 . 6 1 1 A 74 74 LYS CB C 85 34.900 36.645 -1.745 1
1 958 . 6 1 1 A 74 74 LYS N N 85 123.300 122.842 0.458 1
1 959 . 6 1 1 A 75 75 GLY H H 86 8.870 8.674 0.196 1
1 960 . 6 1 1 A 75 75 GLY HA2 H 86 3.930 4.141 -0.211 1
1 961 . 6 1 1 A 75 75 GLY HA3 H 86 4.350 4.149 0.201 1
1 962 . 6 1 1 A 75 75 GLY C C 86 174.000 175.193 -1.193 1
1 963 . 6 1 1 A 75 75 GLY CA C 86 44.600 45.422 -0.822 1
1 964 . 6 1 1 A 75 75 GLY N N 86 108.700 110.439 -1.739 1
1 965 . 6 1 1 A 76 76 TYR H H 87 8.880 9.102 -0.222 1
1 966 . 6 1 1 A 76 76 TYR HA H 87 3.930 4.097 -0.167 1
1 973 . 6 1 1 A 76 76 TYR C C 87 175.800 177.375 -1.575 1
1 974 . 6 1 1 A 76 76 TYR CA C 87 62.900 61.490 1.410 1
1 975 . 6 1 1 A 76 76 TYR CB C 87 38.700 38.771 -0.071 1
1 980 . 6 1 1 A 76 76 TYR N N 87 120.400 121.160 -0.760 1
1 981 . 6 1 1 A 77 77 ASP H H 88 8.450 8.731 -0.281 1
1 982 . 6 1 1 A 77 77 ASP HA H 88 4.000 4.213 -0.213 1
1 985 . 6 1 1 A 77 77 ASP C C 88 178.200 178.174 0.026 1
1 986 . 6 1 1 A 77 77 ASP CA C 88 57.000 56.754 0.246 1
1 987 . 6 1 1 A 77 77 ASP CB C 88 39.600 39.730 -0.130 1
1 988 . 6 1 1 A 77 77 ASP N N 88 115.800 118.888 -3.088 1
1 989 . 6 1 1 A 78 78 GLU H H 89 7.520 8.022 -0.502 1
1 990 . 6 1 1 A 78 78 GLU HA H 89 4.020 4.026 -0.006 1
1 995 . 6 1 1 A 78 78 GLU C C 89 178.500 179.269 -0.769 1
1 996 . 6 1 1 A 78 78 GLU CA C 89 58.500 59.120 -0.620 1
1 997 . 6 1 1 A 78 78 GLU CB C 89 30.100 29.373 0.727 1
1 999 . 6 1 1 A 78 78 GLU N N 89 119.600 120.467 -0.867 1
1 1000 . 6 1 1 A 79 79 ILE H H 90 7.850 7.533 0.317 1
1 1001 . 6 1 1 A 79 79 ILE HA H 90 3.300 3.680 -0.380 1
1 1011 . 6 1 1 A 79 79 ILE C C 90 177.700 177.609 0.091 1
1 1012 . 6 1 1 A 79 79 ILE CA C 90 64.600 64.371 0.229 1
1 1013 . 6 1 1 A 79 79 ILE CB C 90 37.700 37.329 0.371 1
1 1017 . 6 1 1 A 79 79 ILE N N 90 121.700 117.809 3.891 1
1 1018 . 6 1 1 A 80 80 LEU H H 91 7.710 7.721 -0.011 1
1 1019 . 6 1 1 A 80 80 LEU HA H 91 3.780 3.619 0.161 1
1 1029 . 6 1 1 A 80 80 LEU C C 91 178.600 177.698 0.902 1
1 1030 . 6 1 1 A 80 80 LEU CA C 91 56.900 58.169 -1.269 1
1 1031 . 6 1 1 A 80 80 LEU CB C 91 41.600 41.719 -0.119 1
1 1035 . 6 1 1 A 80 80 LEU N N 91 120.500 123.653 -3.153 1
1 1036 . 6 1 1 A 81 81 GLU H H 92 7.620 7.595 0.025 1
1 1037 . 6 1 1 A 81 81 GLU HA H 92 3.960 4.213 -0.253 1
1 1042 . 6 1 1 A 81 81 GLU C C 92 177.400 176.225 1.175 1
1 1043 . 6 1 1 A 81 81 GLU CA C 92 58.300 57.995 0.305 1
1 1044 . 6 1 1 A 81 81 GLU CB C 92 29.700 30.319 -0.619 1
1 1046 . 6 1 1 A 81 81 GLU N N 92 118.100 118.047 0.053 1
1 1047 . 6 1 1 A 82 82 HIS H H 93 7.840 7.887 -0.047 1
1 1048 . 6 1 1 A 82 82 HIS HA H 93 4.440 4.098 0.342 1
1 1051 . 6 1 1 A 82 82 HIS C C 93 175.600 175.045 0.555 1
1 1052 . 6 1 1 A 82 82 HIS CA C 93 57.000 58.955 -1.955 1
1 1053 . 6 1 1 A 82 82 HIS CB C 93 29.800 27.537 2.263 1
1 1054 . 6 1 1 A 82 82 HIS N N 93 116.900 117.343 -0.443 1
1 1055 . 6 1 1 A 83 83 HIS H H 94 8.080 9.233 -1.153 1
1 1056 . 6 1 1 A 83 83 HIS HA H 94 4.480 4.142 0.338 1
1 1059 . 6 1 1 A 83 83 HIS CA C 94 56.700 56.727 -0.027 1
1 1060 . 6 1 1 A 83 83 HIS CB C 94 29.900 28.235 1.665 1
1 1 . 7 1 1 A 2 2 PHE HA H 13 4.400 4.151 0.249 1
1 9 . 7 1 1 A 2 2 PHE C C 13 176.400 177.269 -0.869 1
1 10 . 7 1 1 A 2 2 PHE CA C 13 60.700 61.293 -0.593 1
1 11 . 7 1 1 A 2 2 PHE CB C 13 39.700 38.863 0.837 1
1 17 . 7 1 1 A 3 3 PHE H H 14 9.000 8.148 0.852 1
1 18 . 7 1 1 A 3 3 PHE HA H 14 4.000 3.943 0.057 1
1 25 . 7 1 1 A 3 3 PHE C C 14 177.400 177.715 -0.315 1
1 26 . 7 1 1 A 3 3 PHE CA C 14 61.400 62.341 -0.941 1
1 27 . 7 1 1 A 3 3 PHE CB C 14 38.400 38.578 -0.178 1
1 32 . 7 1 1 A 3 3 PHE N N 14 118.700 118.260 0.440 1
1 33 . 7 1 1 A 4 4 ASN H H 15 8.000 8.477 -0.477 1
1 34 . 7 1 1 A 4 4 ASN HA H 15 4.250 4.337 -0.087 1
1 39 . 7 1 1 A 4 4 ASN C C 15 177.300 177.480 -0.180 1
1 40 . 7 1 1 A 4 4 ASN CA C 15 56.400 56.931 -0.531 1
1 41 . 7 1 1 A 4 4 ASN CB C 15 38.000 39.235 -1.235 1
1 43 . 7 1 1 A 4 4 ASN N N 15 118.300 118.335 -0.035 1
1 45 . 7 1 1 A 5 5 GLU H H 16 8.080 7.852 0.228 1
1 46 . 7 1 1 A 5 5 GLU HA H 16 3.970 3.986 -0.016 1
1 51 . 7 1 1 A 5 5 GLU C C 16 179.600 178.940 0.660 1
1 52 . 7 1 1 A 5 5 GLU CA C 16 59.200 58.938 0.262 1
1 53 . 7 1 1 A 5 5 GLU CB C 16 29.400 29.279 0.121 1
1 55 . 7 1 1 A 5 5 GLU N N 16 120.400 118.794 1.606 1
1 56 . 7 1 1 A 6 6 GLN H H 17 7.930 7.319 0.611 1
1 57 . 7 1 1 A 6 6 GLN HA H 17 3.560 3.760 -0.200 1
1 64 . 7 1 1 A 6 6 GLN CA C 17 58.600 58.376 0.224 1
1 65 . 7 1 1 A 6 6 GLN CB C 17 28.100 27.814 0.286 1
1 68 . 7 1 1 A 6 6 GLN N N 17 117.900 119.101 -1.201 1
1 70 . 7 1 1 A 7 7 LYS H H 18 8.120 7.336 0.784 1
1 71 . 7 1 1 A 7 7 LYS HA H 18 3.350 3.887 -0.537 1
1 80 . 7 1 1 A 7 7 LYS C C 18 179.900 179.010 0.890 1
1 81 . 7 1 1 A 7 7 LYS CA C 18 60.600 59.374 1.226 1
1 82 . 7 1 1 A 7 7 LYS CB C 18 32.000 31.796 0.204 1
1 86 . 7 1 1 A 7 7 LYS N N 18 118.800 119.878 -1.078 1
1 87 . 7 1 1 A 8 8 GLU H H 19 7.740 7.673 0.067 1
1 88 . 7 1 1 A 8 8 GLU HA H 19 4.040 4.097 -0.057 1
1 93 . 7 1 1 A 8 8 GLU C C 19 179.000 179.244 -0.244 1
1 94 . 7 1 1 A 8 8 GLU CA C 19 59.800 59.248 0.552 1
1 95 . 7 1 1 A 8 8 GLU CB C 19 29.100 29.176 -0.076 1
1 97 . 7 1 1 A 8 8 GLU N N 19 121.300 119.930 1.370 1
1 98 . 7 1 1 A 9 9 LYS H H 20 7.500 7.379 0.121 1
1 99 . 7 1 1 A 9 9 LYS HA H 20 3.950 3.932 0.018 1
1 108 . 7 1 1 A 9 9 LYS C C 20 178.100 179.371 -1.271 1
1 109 . 7 1 1 A 9 9 LYS CA C 20 60.500 59.287 1.213 1
1 110 . 7 1 1 A 9 9 LYS CB C 20 32.200 31.835 0.365 1
1 114 . 7 1 1 A 9 9 LYS N N 20 120.100 119.242 0.858 1
1 115 . 7 1 1 A 10 10 VAL H H 21 8.030 7.533 0.497 1
1 116 . 7 1 1 A 10 10 VAL HA H 21 3.410 3.553 -0.143 1
1 124 . 7 1 1 A 10 10 VAL C C 21 177.400 178.117 -0.717 1
1 125 . 7 1 1 A 10 10 VAL CA C 21 66.600 66.207 0.393 1
1 126 . 7 1 1 A 10 10 VAL CB C 21 31.800 31.839 -0.039 1
1 129 . 7 1 1 A 10 10 VAL N N 21 117.300 119.525 -2.225 1
1 130 . 7 1 1 A 11 11 THR H H 22 8.230 8.192 0.038 1
1 131 . 7 1 1 A 11 11 THR HA H 22 3.580 3.790 -0.210 1
1 137 . 7 1 1 A 11 11 THR C C 22 174.700 176.223 -1.523 1
1 138 . 7 1 1 A 11 11 THR CA C 22 68.700 66.853 1.847 1
1 139 . 7 1 1 A 11 11 THR CB C 22 68.500 67.930 0.570 1
1 141 . 7 1 1 A 11 11 THR N N 22 115.700 117.268 -1.568 1
1 142 . 7 1 1 A 12 12 LEU H H 23 7.780 8.380 -0.600 1
1 143 . 7 1 1 A 12 12 LEU HA H 23 3.930 3.773 0.157 1
1 153 . 7 1 1 A 12 12 LEU C C 23 178.400 178.331 0.069 1
1 154 . 7 1 1 A 12 12 LEU CA C 23 58.500 58.097 0.403 1
1 155 . 7 1 1 A 12 12 LEU CB C 23 42.300 41.767 0.533 1
1 159 . 7 1 1 A 12 12 LEU N N 23 121.400 121.288 0.112 1
1 160 . 7 1 1 A 13 13 TYR H H 24 7.970 8.346 -0.376 1
1 161 . 7 1 1 A 13 13 TYR HA H 24 3.910 4.211 -0.301 1
1 168 . 7 1 1 A 13 13 TYR C C 24 177.400 177.246 0.154 1
1 169 . 7 1 1 A 13 13 TYR CA C 24 61.700 61.505 0.195 1
1 170 . 7 1 1 A 13 13 TYR CB C 24 39.400 38.925 0.475 1
1 175 . 7 1 1 A 13 13 TYR N N 24 119.100 119.554 -0.454 1
1 176 . 7 1 1 A 14 14 LEU H H 25 8.230 8.247 -0.017 1
1 177 . 7 1 1 A 14 14 LEU HA H 25 3.400 3.583 -0.183 1
1 187 . 7 1 1 A 14 14 LEU C C 25 177.200 178.959 -1.759 1
1 188 . 7 1 1 A 14 14 LEU CA C 25 57.600 57.701 -0.101 1
1 189 . 7 1 1 A 14 14 LEU CB C 25 42.200 41.127 1.073 1
1 193 . 7 1 1 A 14 14 LEU N N 25 119.600 119.594 0.006 1
1 194 . 7 1 1 A 15 15 LYS H H 26 8.010 7.956 0.054 1
1 195 . 7 1 1 A 15 15 LYS HA H 26 3.230 3.665 -0.435 1
1 204 . 7 1 1 A 15 15 LYS C C 26 178.800 178.735 0.065 1
1 205 . 7 1 1 A 15 15 LYS CA C 26 59.000 58.890 0.110 1
1 206 . 7 1 1 A 15 15 LYS CB C 26 32.600 31.701 0.899 1
1 210 . 7 1 1 A 15 15 LYS N N 26 117.000 119.808 -2.808 1
1 211 . 7 1 1 A 16 16 HIS H H 27 7.890 7.377 0.513 1
1 212 . 7 1 1 A 16 16 HIS HA H 27 4.030 4.216 -0.186 1
1 217 . 7 1 1 A 16 16 HIS C C 27 175.900 176.484 -0.584 1
1 218 . 7 1 1 A 16 16 HIS CA C 27 59.000 59.965 -0.965 1
1 219 . 7 1 1 A 16 16 HIS CB C 27 30.900 30.601 0.299 1
1 222 . 7 1 1 A 16 16 HIS N N 27 113.200 117.656 -4.456 1
1 223 . 7 1 1 A 17 17 ASN H H 28 6.950 7.391 -0.441 1
1 224 . 7 1 1 A 17 17 ASN HA H 28 4.900 4.691 0.209 1
1 229 . 7 1 1 A 17 17 ASN C C 28 172.900 174.755 -1.855 1
1 230 . 7 1 1 A 17 17 ASN CA C 28 54.100 53.652 0.448 1
1 231 . 7 1 1 A 17 17 ASN CB C 28 42.500 39.015 3.485 1
1 233 . 7 1 1 A 17 17 ASN N N 28 112.200 113.758 -1.558 1
1 235 . 7 1 1 A 18 18 ILE H H 29 7.310 7.554 -0.244 1
1 236 . 7 1 1 A 18 18 ILE HA H 29 4.560 4.605 -0.045 1
1 246 . 7 1 1 A 18 18 ILE CA C 29 58.000 58.191 -0.191 1
1 247 . 7 1 1 A 18 18 ILE CB C 29 38.000 38.986 -0.986 1
1 251 . 7 1 1 A 18 18 ILE N N 29 119.300 118.957 0.343 1
1 252 . 7 1 1 A 19 19 PRO HA H 30 4.170 4.393 -0.223 1
1 259 . 7 1 1 A 19 19 PRO C C 30 178.000 177.485 0.515 1
1 260 . 7 1 1 A 19 19 PRO CA C 30 65.700 65.136 0.564 1
1 261 . 7 1 1 A 19 19 PRO CB C 30 32.100 31.870 0.230 1
1 264 . 7 1 1 A 20 20 ASP H H 31 8.470 8.519 -0.049 1
1 265 . 7 1 1 A 20 20 ASP HA H 31 4.790 4.621 0.169 1
1 268 . 7 1 1 A 20 20 ASP C C 31 175.600 176.135 -0.535 1
1 269 . 7 1 1 A 20 20 ASP CA C 31 53.800 54.758 -0.958 1
1 270 . 7 1 1 A 20 20 ASP CB C 31 39.600 40.914 -1.314 1
1 271 . 7 1 1 A 20 20 ASP N N 31 113.700 117.392 -3.692 1
1 272 . 7 1 1 A 21 21 PHE H H 32 7.890 8.073 -0.183 1
1 273 . 7 1 1 A 21 21 PHE HA H 32 3.810 4.346 -0.536 1
1 281 . 7 1 1 A 21 21 PHE C C 32 174.200 175.093 -0.893 1
1 282 . 7 1 1 A 21 21 PHE CA C 32 61.100 59.547 1.553 1
1 283 . 7 1 1 A 21 21 PHE CB C 32 39.900 39.790 0.110 1
1 289 . 7 1 1 A 21 21 PHE N N 32 122.200 123.289 -1.089 1
1 290 . 7 1 1 A 22 22 ASN H H 33 9.380 8.527 0.853 1
1 291 . 7 1 1 A 22 22 ASN HA H 33 4.680 4.897 -0.217 1
1 296 . 7 1 1 A 22 22 ASN C C 33 173.600 173.947 -0.347 1
1 297 . 7 1 1 A 22 22 ASN CA C 33 54.600 54.659 -0.059 1
1 298 . 7 1 1 A 22 22 ASN CB C 33 41.700 41.142 0.558 1
1 300 . 7 1 1 A 22 22 ASN N N 33 126.600 125.942 0.658 1
1 302 . 7 1 1 A 23 23 THR H H 34 7.010 7.205 -0.195 1
1 303 . 7 1 1 A 23 23 THR HA H 34 4.280 4.606 -0.326 1
1 308 . 7 1 1 A 23 23 THR C C 34 171.100 171.512 -0.412 1
1 309 . 7 1 1 A 23 23 THR CA C 34 60.300 60.367 -0.067 1
1 310 . 7 1 1 A 23 23 THR CB C 34 71.100 70.754 0.346 1
1 312 . 7 1 1 A 23 23 THR N N 34 109.600 111.305 -1.705 1
1 313 . 7 1 1 A 24 24 VAL H H 35 8.290 8.737 -0.447 1
1 314 . 7 1 1 A 24 24 VAL HA H 35 4.850 4.855 -0.005 1
1 322 . 7 1 1 A 24 24 VAL C C 35 171.400 173.292 -1.892 1
1 323 . 7 1 1 A 24 24 VAL CA C 35 59.300 60.168 -0.868 1
1 324 . 7 1 1 A 24 24 VAL CB C 35 35.500 35.761 -0.261 1
1 327 . 7 1 1 A 24 24 VAL N N 35 119.500 123.281 -3.781 1
1 328 . 7 1 1 A 25 25 THR H H 36 8.200 8.078 0.122 1
1 329 . 7 1 1 A 25 25 THR HA H 36 4.150 4.797 -0.647 1
1 334 . 7 1 1 A 25 25 THR C C 36 171.900 173.027 -1.127 1
1 335 . 7 1 1 A 25 25 THR CA C 36 61.100 60.553 0.547 1
1 336 . 7 1 1 A 25 25 THR CB C 36 70.900 71.012 -0.112 1
1 338 . 7 1 1 A 25 25 THR N N 36 125.200 122.893 2.307 1
1 339 . 7 1 1 A 26 26 PHE H H 37 8.900 8.687 0.213 1
1 340 . 7 1 1 A 26 26 PHE HA H 37 5.140 4.972 0.168 1
1 348 . 7 1 1 A 26 26 PHE C C 37 176.900 175.161 1.739 1
1 349 . 7 1 1 A 26 26 PHE CA C 37 58.100 56.771 1.329 1
1 350 . 7 1 1 A 26 26 PHE CB C 37 39.900 40.604 -0.704 1
1 356 . 7 1 1 A 26 26 PHE N N 37 124.500 125.534 -1.034 1
1 357 . 7 1 1 A 27 27 THR H H 38 9.090 8.378 0.712 1
1 358 . 7 1 1 A 27 27 THR HA H 38 4.430 4.705 -0.275 1
1 363 . 7 1 1 A 27 27 THR C C 38 174.800 172.578 2.222 1
1 364 . 7 1 1 A 27 27 THR CA C 38 61.600 61.459 0.141 1
1 365 . 7 1 1 A 27 27 THR CB C 38 69.400 69.368 0.032 1
1 367 . 7 1 1 A 27 27 THR N N 38 114.000 116.532 -2.532 1
1 368 . 7 1 1 A 28 28 ASN H H 39 7.880 8.535 -0.655 1
1 369 . 7 1 1 A 28 28 ASN HA H 39 4.780 4.880 -0.100 1
1 374 . 7 1 1 A 28 28 ASN C C 39 173.700 173.887 -0.187 1
1 375 . 7 1 1 A 28 28 ASN CA C 39 54.100 53.346 0.754 1
1 376 . 7 1 1 A 28 28 ASN CB C 39 40.800 41.160 -0.360 1
1 378 . 7 1 1 A 28 28 ASN N N 39 118.900 123.488 -4.588 1
1 380 . 7 1 1 A 29 29 GLU H H 40 8.150 8.866 -0.716 1
1 381 . 7 1 1 A 29 29 GLU HA H 40 4.560 4.281 0.279 1
1 386 . 7 1 1 A 29 29 GLU C C 40 174.800 175.906 -1.106 1
1 387 . 7 1 1 A 29 29 GLU CA C 40 55.600 58.270 -2.670 1
1 388 . 7 1 1 A 29 29 GLU CB C 40 30.500 28.682 1.818 1
1 390 . 7 1 1 A 29 29 GLU N N 40 121.700 125.076 -3.376 1
1 391 . 7 1 1 A 30 30 GLU H H 41 8.410 9.084 -0.674 1
1 392 . 7 1 1 A 30 30 GLU HA H 41 4.410 4.598 -0.188 1
1 397 . 7 1 1 A 30 30 GLU C C 41 175.100 175.761 -0.661 1
1 398 . 7 1 1 A 30 30 GLU CA C 41 55.400 57.133 -1.733 1
1 399 . 7 1 1 A 30 30 GLU CB C 41 32.200 31.396 0.804 1
1 401 . 7 1 1 A 30 30 GLU N N 41 120.500 122.713 -2.213 1
1 402 . 7 1 1 A 31 31 PHE H H 42 8.570 8.391 0.179 1
1 403 . 7 1 1 A 31 31 PHE HA H 42 4.820 4.725 0.095 1
1 411 . 7 1 1 A 31 31 PHE C C 42 174.800 175.796 -0.996 1
1 412 . 7 1 1 A 31 31 PHE CA C 42 57.800 58.741 -0.941 1
1 413 . 7 1 1 A 31 31 PHE CB C 42 40.200 40.251 -0.051 1
1 419 . 7 1 1 A 31 31 PHE N N 42 120.700 118.153 2.547 1
1 420 . 7 1 1 A 32 32 ASN H H 43 8.350 8.404 -0.054 1
1 421 . 7 1 1 A 32 32 ASN HA H 43 4.950 5.107 -0.157 1
1 426 . 7 1 1 A 32 32 ASN CA C 43 51.600 51.303 0.297 1
1 427 . 7 1 1 A 32 32 ASN CB C 43 39.300 41.722 -2.422 1
1 429 . 7 1 1 A 32 32 ASN N N 43 122.000 119.494 2.506 1
1 431 . 7 1 1 A 33 33 PRO HA H 44 4.260 4.344 -0.084 1
1 438 . 7 1 1 A 33 33 PRO C C 44 177.400 177.784 -0.384 1
1 439 . 7 1 1 A 33 33 PRO CA C 44 65.300 65.693 -0.393 1
1 440 . 7 1 1 A 33 33 PRO CB C 44 32.200 31.689 0.511 1
1 443 . 7 1 1 A 34 34 ILE H H 45 7.840 7.644 0.196 1
1 444 . 7 1 1 A 34 34 ILE HA H 45 4.240 4.114 0.126 1
1 454 . 7 1 1 A 34 34 ILE C C 45 176.400 176.856 -0.456 1
1 455 . 7 1 1 A 34 34 ILE CA C 45 61.000 60.591 0.409 1
1 456 . 7 1 1 A 34 34 ILE CB C 45 38.600 37.147 1.453 1
1 460 . 7 1 1 A 34 34 ILE N N 45 113.700 114.015 -0.315 1
1 461 . 7 1 1 A 35 35 GLY H H 46 7.860 8.089 -0.229 1
1 462 . 7 1 1 A 35 35 GLY HA2 H 46 3.870 3.905 -0.035 1
1 463 . 7 1 1 A 35 35 GLY HA3 H 46 4.130 3.931 0.199 1
1 464 . 7 1 1 A 35 35 GLY C C 46 172.700 173.628 -0.928 1
1 465 . 7 1 1 A 35 35 GLY CA C 46 45.900 47.292 -1.392 1
1 466 . 7 1 1 A 35 35 GLY N N 46 111.900 112.217 -0.317 1
1 467 . 7 1 1 A 36 36 ILE H H 47 8.180 8.281 -0.101 1
1 468 . 7 1 1 A 36 36 ILE HA H 47 4.720 4.934 -0.214 1
1 478 . 7 1 1 A 36 36 ILE C C 47 174.900 174.470 0.430 1
1 479 . 7 1 1 A 36 36 ILE CA C 47 60.500 58.765 1.735 1
1 480 . 7 1 1 A 36 36 ILE CB C 47 40.800 41.004 -0.204 1
1 484 . 7 1 1 A 36 36 ILE N N 47 118.300 123.135 -4.835 1
1 485 . 7 1 1 A 37 37 SER H H 48 8.430 9.648 -1.218 1
1 486 . 7 1 1 A 37 37 SER HA H 48 4.990 5.108 -0.118 1
1 489 . 7 1 1 A 37 37 SER C C 48 172.900 173.756 -0.856 1
1 490 . 7 1 1 A 37 37 SER CA C 48 57.800 57.761 0.039 1
1 491 . 7 1 1 A 37 37 SER CB C 48 65.600 64.632 0.968 1
1 492 . 7 1 1 A 37 37 SER N N 48 116.700 120.003 -3.303 1
1 493 . 7 1 1 A 38 38 ILE H H 49 9.150 9.432 -0.282 1
1 494 . 7 1 1 A 38 38 ILE HA H 49 4.720 4.890 -0.170 1
1 504 . 7 1 1 A 38 38 ILE C C 49 173.900 174.635 -0.735 1
1 505 . 7 1 1 A 38 38 ILE CA C 49 60.600 60.182 0.418 1
1 506 . 7 1 1 A 38 38 ILE CB C 49 41.000 39.640 1.360 1
1 510 . 7 1 1 A 38 38 ILE N N 49 124.300 127.892 -3.592 1
1 511 . 7 1 1 A 39 39 ASP H H 50 8.700 9.001 -0.301 1
1 512 . 7 1 1 A 39 39 ASP HA H 50 5.540 5.620 -0.080 1
1 515 . 7 1 1 A 39 39 ASP C C 50 176.200 174.894 1.306 1
1 516 . 7 1 1 A 39 39 ASP CA C 50 52.300 52.617 -0.317 1
1 517 . 7 1 1 A 39 39 ASP CB C 50 44.300 44.978 -0.678 1
1 518 . 7 1 1 A 39 39 ASP N N 50 126.600 127.286 -0.686 1
1 519 . 7 1 1 A 40 40 GLY H H 51 7.100 7.375 -0.275 1
1 520 . 7 1 1 A 40 40 GLY HA2 H 51 3.780 3.760 0.020 1
1 521 . 7 1 1 A 40 40 GLY HA3 H 51 4.070 4.064 0.006 1
1 522 . 7 1 1 A 40 40 GLY C C 51 170.100 171.578 -1.478 1
1 523 . 7 1 1 A 40 40 GLY CA C 51 47.200 45.938 1.262 1
1 524 . 7 1 1 A 40 40 GLY N N 51 106.400 109.918 -3.518 1
1 525 . 7 1 1 A 41 41 TYR H H 52 8.390 7.903 0.487 1
1 526 . 7 1 1 A 41 41 TYR HA H 52 5.530 5.807 -0.277 1
1 533 . 7 1 1 A 41 41 TYR C C 52 175.200 172.995 2.205 1
1 534 . 7 1 1 A 41 41 TYR CA C 52 56.000 55.711 0.289 1
1 535 . 7 1 1 A 41 41 TYR CB C 52 39.200 42.163 -2.963 1
1 540 . 7 1 1 A 41 41 TYR N N 52 113.900 115.803 -1.903 1
1 541 . 7 1 1 A 42 42 ILE H H 53 8.420 8.311 0.109 1
1 542 . 7 1 1 A 42 42 ILE HA H 53 5.450 4.778 0.672 1
1 552 . 7 1 1 A 42 42 ILE C C 53 174.500 175.130 -0.630 1
1 553 . 7 1 1 A 42 42 ILE CA C 53 59.300 59.267 0.033 1
1 554 . 7 1 1 A 42 42 ILE CB C 53 40.700 40.769 -0.069 1
1 558 . 7 1 1 A 42 42 ILE N N 53 113.200 117.033 -3.833 1
1 559 . 7 1 1 A 43 43 ASN H H 54 8.760 9.087 -0.327 1
1 560 . 7 1 1 A 43 43 ASN HA H 54 4.120 4.354 -0.234 1
1 565 . 7 1 1 A 43 43 ASN C C 54 173.900 174.462 -0.562 1
1 566 . 7 1 1 A 43 43 ASN CA C 54 53.300 54.537 -1.237 1
1 567 . 7 1 1 A 43 43 ASN CB C 54 35.500 36.926 -1.426 1
1 569 . 7 1 1 A 43 43 ASN N N 54 116.700 118.990 -2.290 1
1 571 . 7 1 1 A 44 44 ASN H H 55 9.270 8.596 0.674 1
1 572 . 7 1 1 A 44 44 ASN HA H 55 4.260 4.323 -0.063 1
1 577 . 7 1 1 A 44 44 ASN C C 55 173.600 172.983 0.617 1
1 578 . 7 1 1 A 44 44 ASN CA C 55 54.800 54.707 0.093 1
1 579 . 7 1 1 A 44 44 ASN CB C 55 38.100 37.258 0.842 1
1 581 . 7 1 1 A 44 44 ASN N N 55 110.300 108.632 1.668 1
1 583 . 7 1 1 A 45 45 ASP H H 56 8.100 7.999 0.101 1
1 584 . 7 1 1 A 45 45 ASP HA H 56 4.760 4.776 -0.016 1
1 587 . 7 1 1 A 45 45 ASP C C 56 175.900 176.326 -0.426 1
1 588 . 7 1 1 A 45 45 ASP CA C 56 52.600 52.705 -0.105 1
1 589 . 7 1 1 A 45 45 ASP CB C 56 42.000 41.376 0.624 1
1 590 . 7 1 1 A 45 45 ASP N N 56 119.500 118.953 0.547 1
1 591 . 7 1 1 A 46 46 LYS H H 57 8.260 8.628 -0.368 1
1 592 . 7 1 1 A 46 46 LYS HA H 57 2.760 3.761 -1.001 1
1 601 . 7 1 1 A 46 46 LYS C C 57 177.100 178.450 -1.350 1
1 602 . 7 1 1 A 46 46 LYS CA C 57 58.400 59.562 -1.162 1
1 603 . 7 1 1 A 46 46 LYS CB C 57 31.700 32.011 -0.311 1
1 607 . 7 1 1 A 46 46 LYS N N 57 124.100 125.535 -1.435 1
1 608 . 7 1 1 A 47 47 ASN H H 58 8.610 7.925 0.685 1
1 609 . 7 1 1 A 47 47 ASN HA H 58 4.620 4.568 0.052 1
1 614 . 7 1 1 A 47 47 ASN C C 58 177.000 176.735 0.265 1
1 615 . 7 1 1 A 47 47 ASN CA C 58 54.400 56.281 -1.881 1
1 616 . 7 1 1 A 47 47 ASN CB C 58 38.500 38.464 0.036 1
1 618 . 7 1 1 A 47 47 ASN N N 58 114.800 117.151 -2.351 1
1 620 . 7 1 1 A 48 48 LEU H H 59 8.470 7.455 1.015 1
1 621 . 7 1 1 A 48 48 LEU HA H 59 4.470 4.488 -0.018 1
1 631 . 7 1 1 A 48 48 LEU C C 59 175.300 175.186 0.114 1
1 632 . 7 1 1 A 48 48 LEU CA C 59 52.800 54.247 -1.447 1
1 633 . 7 1 1 A 48 48 LEU CB C 59 39.100 40.016 -0.916 1
1 637 . 7 1 1 A 48 48 LEU N N 59 125.800 120.374 5.426 1
1 638 . 7 1 1 A 49 49 SER H H 60 7.270 8.361 -1.091 1
1 639 . 7 1 1 A 49 49 SER HA H 60 5.230 5.797 -0.567 1
1 642 . 7 1 1 A 49 49 SER C C 60 173.200 174.148 -0.948 1
1 643 . 7 1 1 A 49 49 SER CA C 60 56.900 55.575 1.325 1
1 644 . 7 1 1 A 49 49 SER CB C 60 66.500 66.460 0.040 1
1 645 . 7 1 1 A 49 49 SER N N 60 112.400 116.766 -4.366 1
1 646 . 7 1 1 A 50 50 PHE H H 61 8.260 8.472 -0.212 1
1 647 . 7 1 1 A 50 50 PHE HA H 61 5.490 5.636 -0.146 1
1 655 . 7 1 1 A 50 50 PHE C C 61 174.500 173.090 1.410 1
1 656 . 7 1 1 A 50 50 PHE CA C 61 56.300 56.000 0.300 1
1 657 . 7 1 1 A 50 50 PHE CB C 61 44.600 42.859 1.741 1
1 663 . 7 1 1 A 50 50 PHE N N 61 114.200 117.614 -3.414 1
1 664 . 7 1 1 A 51 51 THR H H 62 8.520 8.802 -0.282 1
1 665 . 7 1 1 A 51 51 THR HA H 62 5.140 5.525 -0.385 1
1 670 . 7 1 1 A 51 51 THR C C 62 172.600 173.302 -0.702 1
1 671 . 7 1 1 A 51 51 THR CA C 62 62.000 61.112 0.888 1
1 672 . 7 1 1 A 51 51 THR CB C 62 72.000 72.159 -0.159 1
1 674 . 7 1 1 A 51 51 THR N N 62 116.000 115.174 0.826 1
1 675 . 7 1 1 A 52 52 ALA H H 63 9.870 9.556 0.314 1
1 676 . 7 1 1 A 52 52 ALA HA H 63 5.180 5.445 -0.265 1
1 680 . 7 1 1 A 52 52 ALA C C 63 176.300 175.821 0.479 1
1 681 . 7 1 1 A 52 52 ALA CA C 63 50.300 50.789 -0.489 1
1 682 . 7 1 1 A 52 52 ALA CB C 63 24.000 22.905 1.095 1
1 683 . 7 1 1 A 52 52 ALA N N 63 130.400 127.402 2.998 1
1 684 . 7 1 1 A 53 53 GLY H H 64 8.340 8.829 -0.489 1
1 685 . 7 1 1 A 53 53 GLY HA2 H 64 3.630 4.261 -0.631 1
1 686 . 7 1 1 A 53 53 GLY HA3 H 64 4.830 4.271 0.559 1
1 687 . 7 1 1 A 53 53 GLY C C 64 173.200 174.496 -1.296 1
1 688 . 7 1 1 A 53 53 GLY CA C 64 43.200 43.990 -0.790 1
1 689 . 7 1 1 A 53 53 GLY N N 64 107.100 110.013 -2.913 1
1 690 . 7 1 1 A 54 54 LYS H H 65 8.430 9.239 -0.809 1
1 691 . 7 1 1 A 54 54 LYS HA H 65 3.750 4.001 -0.251 1
1 700 . 7 1 1 A 54 54 LYS CA C 65 58.300 57.000 1.300 1
1 701 . 7 1 1 A 54 54 LYS CB C 65 32.600 30.943 1.657 1
1 705 . 7 1 1 A 54 54 LYS N N 65 119.300 123.801 -4.501 1
1 708 . 7 1 1 A 55 55 ASP C C 66 172.900 175.692 -2.792 1
1 709 . 7 1 1 A 56 56 VAL H H 67 8.510 8.084 0.426 1
1 710 . 7 1 1 A 56 56 VAL HA H 67 3.100 4.287 -1.187 1
1 718 . 7 1 1 A 56 56 VAL C C 67 176.400 175.225 1.175 1
1 719 . 7 1 1 A 56 56 VAL CA C 67 62.800 61.758 1.042 1
1 720 . 7 1 1 A 56 56 VAL CB C 67 30.400 33.337 -2.937 1
1 723 . 7 1 1 A 56 56 VAL N N 67 112.700 118.960 -6.260 1
1 724 . 7 1 1 A 57 57 LYS H H 68 7.580 7.699 -0.119 1
1 725 . 7 1 1 A 57 57 LYS HA H 68 4.000 4.363 -0.363 1
1 734 . 7 1 1 A 57 57 LYS C C 68 176.700 176.916 -0.216 1
1 735 . 7 1 1 A 57 57 LYS CA C 68 58.400 56.611 1.789 1
1 736 . 7 1 1 A 57 57 LYS CB C 68 32.100 32.771 -0.671 1
1 740 . 7 1 1 A 57 57 LYS N N 68 118.700 122.173 -3.473 1
1 741 . 7 1 1 A 58 58 ILE H H 69 7.160 8.739 -1.579 1
1 742 . 7 1 1 A 58 58 ILE HA H 69 4.270 3.846 0.424 1
1 752 . 7 1 1 A 58 58 ILE C C 69 174.300 175.544 -1.244 1
1 753 . 7 1 1 A 58 58 ILE CA C 69 59.900 61.959 -2.059 1
1 754 . 7 1 1 A 58 58 ILE CB C 69 41.000 37.079 3.921 1
1 758 . 7 1 1 A 58 58 ILE N N 69 115.700 119.260 -3.560 1
1 759 . 7 1 1 A 59 59 PHE H H 70 8.560 7.735 0.825 1
1 760 . 7 1 1 A 59 59 PHE HA H 70 4.890 5.833 -0.943 1
1 765 . 7 1 1 A 59 59 PHE C C 70 173.500 172.771 0.729 1
1 766 . 7 1 1 A 59 59 PHE CA C 70 58.700 55.399 3.301 1
1 767 . 7 1 1 A 59 59 PHE CB C 70 42.400 42.179 0.221 1
1 770 . 7 1 1 A 59 59 PHE N N 70 127.500 124.882 2.618 1
1 771 . 7 1 1 A 60 60 SER H H 71 8.430 9.057 -0.627 1
1 772 . 7 1 1 A 60 60 SER HA H 71 4.850 5.383 -0.533 1
1 775 . 7 1 1 A 60 60 SER C C 71 172.100 172.679 -0.579 1
1 776 . 7 1 1 A 60 60 SER CA C 71 56.900 56.862 0.038 1
1 777 . 7 1 1 A 60 60 SER CB C 71 65.000 66.133 -1.133 1
1 778 . 7 1 1 A 60 60 SER N N 71 124.200 115.698 8.502 1
1 779 . 7 1 1 A 61 61 SER H H 72 8.630 8.716 -0.086 1
1 780 . 7 1 1 A 61 61 SER HA H 72 5.380 5.522 -0.142 1
1 783 . 7 1 1 A 61 61 SER C C 72 174.700 173.307 1.393 1
1 784 . 7 1 1 A 61 61 SER CA C 72 57.400 56.871 0.529 1
1 785 . 7 1 1 A 61 61 SER CB C 72 68.200 66.332 1.868 1
1 786 . 7 1 1 A 61 61 SER N N 72 116.900 119.370 -2.470 1
1 787 . 7 1 1 A 62 62 SER H H 73 8.810 8.872 -0.062 1
1 788 . 7 1 1 A 62 62 SER HA H 73 4.570 4.787 -0.217 1
1 792 . 7 1 1 A 62 62 SER C C 73 175.000 176.139 -1.139 1
1 793 . 7 1 1 A 62 62 SER CA C 73 57.600 57.282 0.318 1
1 794 . 7 1 1 A 62 62 SER CB C 73 65.400 65.311 0.089 1
1 795 . 7 1 1 A 62 62 SER N N 73 117.000 117.470 -0.470 1
1 796 . 7 1 1 A 63 63 GLU H H 74 9.240 9.112 0.128 1
1 797 . 7 1 1 A 63 63 GLU HA H 74 4.140 4.051 0.089 1
1 802 . 7 1 1 A 63 63 GLU C C 74 179.000 178.426 0.574 1
1 803 . 7 1 1 A 63 63 GLU CA C 74 60.100 59.817 0.283 1
1 804 . 7 1 1 A 63 63 GLU CB C 74 29.600 29.596 0.004 1
1 806 . 7 1 1 A 63 63 GLU N N 74 123.600 120.697 2.903 1
1 807 . 7 1 1 A 64 64 GLU H H 75 8.970 8.092 0.878 1
1 808 . 7 1 1 A 64 64 GLU HA H 75 3.950 4.090 -0.140 1
1 813 . 7 1 1 A 64 64 GLU C C 75 179.000 179.420 -0.420 1
1 814 . 7 1 1 A 64 64 GLU CA C 75 60.100 58.943 1.157 1
1 815 . 7 1 1 A 64 64 GLU CB C 75 29.500 29.508 -0.008 1
1 817 . 7 1 1 A 64 64 GLU N N 75 117.000 120.581 -3.581 1
1 818 . 7 1 1 A 65 65 LEU H H 76 7.740 7.800 -0.060 1
1 819 . 7 1 1 A 65 65 LEU HA H 76 4.330 4.106 0.224 1
1 829 . 7 1 1 A 65 65 LEU C C 76 178.900 178.395 0.505 1
1 830 . 7 1 1 A 65 65 LEU CA C 76 57.500 57.544 -0.044 1
1 831 . 7 1 1 A 65 65 LEU CB C 76 41.800 41.080 0.720 1
1 835 . 7 1 1 A 65 65 LEU N N 76 119.900 121.361 -1.461 1
1 836 . 7 1 1 A 66 66 ASP H H 77 8.620 8.822 -0.202 1
1 837 . 7 1 1 A 66 66 ASP HA H 77 4.580 4.617 -0.037 1
1 840 . 7 1 1 A 66 66 ASP C C 77 178.800 178.753 0.047 1
1 841 . 7 1 1 A 66 66 ASP CA C 77 58.300 57.841 0.459 1
1 842 . 7 1 1 A 66 66 ASP CB C 77 42.100 41.102 0.998 1
1 843 . 7 1 1 A 66 66 ASP N N 77 120.300 119.224 1.076 1
1 844 . 7 1 1 A 67 67 LYS H H 78 7.210 7.726 -0.516 1
1 845 . 7 1 1 A 67 67 LYS HA H 78 4.240 4.400 -0.160 1
1 854 . 7 1 1 A 67 67 LYS C C 78 177.400 177.645 -0.245 1
1 855 . 7 1 1 A 67 67 LYS CA C 78 58.000 58.025 -0.025 1
1 856 . 7 1 1 A 67 67 LYS CB C 78 33.000 32.314 0.686 1
1 860 . 7 1 1 A 67 67 LYS N N 78 113.200 118.631 -5.431 1
1 861 . 7 1 1 A 68 68 MET H H 79 8.210 7.986 0.224 1
1 862 . 7 1 1 A 68 68 MET HA H 79 4.270 4.545 -0.275 1
1 870 . 7 1 1 A 68 68 MET C C 79 176.800 176.502 0.298 1
1 871 . 7 1 1 A 68 68 MET CA C 79 56.800 55.002 1.798 1
1 872 . 7 1 1 A 68 68 MET CB C 79 33.900 31.391 2.509 1
1 875 . 7 1 1 A 68 68 MET N N 79 116.400 116.423 -0.023 1
1 876 . 7 1 1 A 69 69 PHE H H 80 7.330 7.410 -0.080 1
1 877 . 7 1 1 A 69 69 PHE HA H 80 4.300 4.485 -0.185 1
1 882 . 7 1 1 A 69 69 PHE C C 80 176.900 175.255 1.645 1
1 883 . 7 1 1 A 69 69 PHE CA C 80 59.300 59.339 -0.039 1
1 884 . 7 1 1 A 69 69 PHE CB C 80 40.600 39.416 1.184 1
1 887 . 7 1 1 A 69 69 PHE N N 80 118.100 119.943 -1.843 1
1 888 . 7 1 1 A 70 70 GLN H H 81 8.540 9.130 -0.590 1
1 889 . 7 1 1 A 70 70 GLN HA H 81 4.450 4.714 -0.264 1
1 896 . 7 1 1 A 70 70 GLN C C 81 174.200 175.400 -1.200 1
1 897 . 7 1 1 A 70 70 GLN CA C 81 55.000 56.685 -1.685 1
1 898 . 7 1 1 A 70 70 GLN CB C 81 29.400 31.730 -2.330 1
1 901 . 7 1 1 A 70 70 GLN N N 81 121.600 122.102 -0.502 1
1 903 . 7 1 1 A 71 71 GLU H H 82 8.340 8.132 0.208 1
1 904 . 7 1 1 A 71 71 GLU HA H 82 4.780 4.676 0.104 1
1 909 . 7 1 1 A 71 71 GLU CA C 82 53.100 53.270 -0.170 1
1 910 . 7 1 1 A 71 71 GLU CB C 82 30.600 30.350 0.250 1
1 912 . 7 1 1 A 71 71 GLU N N 82 122.900 118.170 4.730 1
1 913 . 7 1 1 A 72 72 PRO HA H 83 4.880 4.457 0.423 1
1 920 . 7 1 1 A 72 72 PRO C C 83 176.200 176.990 -0.790 1
1 921 . 7 1 1 A 72 72 PRO CA C 83 62.100 63.080 -0.980 1
1 922 . 7 1 1 A 72 72 PRO CB C 83 33.800 31.790 2.010 1
1 925 . 7 1 1 A 73 73 ARG H H 84 8.580 8.349 0.231 1
1 926 . 7 1 1 A 73 73 ARG HA H 84 4.390 4.726 -0.336 1
1 934 . 7 1 1 A 73 73 ARG C C 84 176.000 176.316 -0.316 1
1 935 . 7 1 1 A 73 73 ARG CA C 84 56.000 56.364 -0.364 1
1 936 . 7 1 1 A 73 73 ARG CB C 84 31.100 31.037 0.063 1
1 940 . 7 1 1 A 73 73 ARG N N 84 123.400 122.686 0.714 1
1 942 . 7 1 1 A 74 74 LYS H H 85 9.080 9.164 -0.084 1
1 943 . 7 1 1 A 74 74 LYS HA H 85 4.540 5.079 -0.539 1
1 952 . 7 1 1 A 74 74 LYS C C 85 176.500 176.612 -0.112 1
1 953 . 7 1 1 A 74 74 LYS CA C 85 55.000 54.544 0.456 1
1 954 . 7 1 1 A 74 74 LYS CB C 85 34.900 36.831 -1.931 1
1 958 . 7 1 1 A 74 74 LYS N N 85 123.300 122.712 0.588 1
1 959 . 7 1 1 A 75 75 GLY H H 86 8.870 8.616 0.254 1
1 960 . 7 1 1 A 75 75 GLY HA2 H 86 3.930 4.075 -0.145 1
1 961 . 7 1 1 A 75 75 GLY HA3 H 86 4.350 4.120 0.230 1
1 962 . 7 1 1 A 75 75 GLY C C 86 174.000 175.027 -1.027 1
1 963 . 7 1 1 A 75 75 GLY CA C 86 44.600 45.187 -0.587 1
1 964 . 7 1 1 A 75 75 GLY N N 86 108.700 110.126 -1.426 1
1 965 . 7 1 1 A 76 76 TYR H H 87 8.880 9.051 -0.171 1
1 966 . 7 1 1 A 76 76 TYR HA H 87 3.930 4.101 -0.171 1
1 973 . 7 1 1 A 76 76 TYR C C 87 175.800 177.362 -1.562 1
1 974 . 7 1 1 A 76 76 TYR CA C 87 62.900 61.384 1.516 1
1 975 . 7 1 1 A 76 76 TYR CB C 87 38.700 38.911 -0.211 1
1 980 . 7 1 1 A 76 76 TYR N N 87 120.400 120.897 -0.497 1
1 981 . 7 1 1 A 77 77 ASP H H 88 8.450 8.713 -0.263 1
1 982 . 7 1 1 A 77 77 ASP HA H 88 4.000 4.203 -0.203 1
1 985 . 7 1 1 A 77 77 ASP C C 88 178.200 178.123 0.077 1
1 986 . 7 1 1 A 77 77 ASP CA C 88 57.000 56.748 0.252 1
1 987 . 7 1 1 A 77 77 ASP CB C 88 39.600 39.772 -0.172 1
1 988 . 7 1 1 A 77 77 ASP N N 88 115.800 118.878 -3.078 1
1 989 . 7 1 1 A 78 78 GLU H H 89 7.520 8.031 -0.511 1
1 990 . 7 1 1 A 78 78 GLU HA H 89 4.020 4.061 -0.041 1
1 995 . 7 1 1 A 78 78 GLU C C 89 178.500 179.593 -1.093 1
1 996 . 7 1 1 A 78 78 GLU CA C 89 58.500 59.104 -0.604 1
1 997 . 7 1 1 A 78 78 GLU CB C 89 30.100 29.474 0.626 1
1 999 . 7 1 1 A 78 78 GLU N N 89 119.600 120.747 -1.147 1
1 1000 . 7 1 1 A 79 79 ILE H H 90 7.850 7.665 0.185 1
1 1001 . 7 1 1 A 79 79 ILE HA H 90 3.300 3.784 -0.484 1
1 1011 . 7 1 1 A 79 79 ILE C C 90 177.700 178.137 -0.437 1
1 1012 . 7 1 1 A 79 79 ILE CA C 90 64.600 64.392 0.208 1
1 1013 . 7 1 1 A 79 79 ILE CB C 90 37.700 37.243 0.457 1
1 1017 . 7 1 1 A 79 79 ILE N N 90 121.700 118.123 3.577 1
1 1018 . 7 1 1 A 80 80 LEU H H 91 7.710 7.803 -0.093 1
1 1019 . 7 1 1 A 80 80 LEU HA H 91 3.780 3.868 -0.088 1
1 1029 . 7 1 1 A 80 80 LEU C C 91 178.600 179.399 -0.799 1
1 1030 . 7 1 1 A 80 80 LEU CA C 91 56.900 58.063 -1.163 1
1 1031 . 7 1 1 A 80 80 LEU CB C 91 41.600 40.964 0.636 1
1 1035 . 7 1 1 A 80 80 LEU N N 91 120.500 121.213 -0.713 1
1 1036 . 7 1 1 A 81 81 GLU H H 92 7.620 7.550 0.070 1
1 1037 . 7 1 1 A 81 81 GLU HA H 92 3.960 3.714 0.246 1
1 1042 . 7 1 1 A 81 81 GLU C C 92 177.400 176.548 0.852 1
1 1043 . 7 1 1 A 81 81 GLU CA C 92 58.300 59.109 -0.809 1
1 1044 . 7 1 1 A 81 81 GLU CB C 92 29.700 29.387 0.313 1
1 1046 . 7 1 1 A 81 81 GLU N N 92 118.100 117.274 0.826 1
1 1047 . 7 1 1 A 82 82 HIS H H 93 7.840 7.809 0.031 1
1 1048 . 7 1 1 A 82 82 HIS HA H 93 4.440 4.531 -0.091 1
1 1051 . 7 1 1 A 82 82 HIS C C 93 175.600 174.137 1.463 1
1 1052 . 7 1 1 A 82 82 HIS CA C 93 57.000 56.750 0.250 1
1 1053 . 7 1 1 A 82 82 HIS CB C 93 29.800 29.821 -0.021 1
1 1054 . 7 1 1 A 82 82 HIS N N 93 116.900 118.435 -1.535 1
1 1055 . 7 1 1 A 83 83 HIS H H 94 8.080 8.433 -0.353 1
1 1056 . 7 1 1 A 83 83 HIS HA H 94 4.480 5.515 -1.035 1
1 1059 . 7 1 1 A 83 83 HIS CA C 94 56.700 53.909 2.791 1
1 1060 . 7 1 1 A 83 83 HIS CB C 94 29.900 32.308 -2.408 1
1 1 . 8 1 1 A 2 2 PHE HA H 13 4.400 4.185 0.215 1
1 9 . 8 1 1 A 2 2 PHE C C 13 176.400 178.155 -1.755 1
1 10 . 8 1 1 A 2 2 PHE CA C 13 60.700 61.359 -0.659 1
1 11 . 8 1 1 A 2 2 PHE CB C 13 39.700 38.328 1.372 1
1 17 . 8 1 1 A 3 3 PHE H H 14 9.000 8.254 0.746 1
1 18 . 8 1 1 A 3 3 PHE HA H 14 4.000 4.056 -0.056 1
1 25 . 8 1 1 A 3 3 PHE C C 14 177.400 178.300 -0.900 1
1 26 . 8 1 1 A 3 3 PHE CA C 14 61.400 62.445 -1.045 1
1 27 . 8 1 1 A 3 3 PHE CB C 14 38.400 38.700 -0.300 1
1 32 . 8 1 1 A 3 3 PHE N N 14 118.700 117.944 0.756 1
1 33 . 8 1 1 A 4 4 ASN H H 15 8.000 8.153 -0.153 1
1 34 . 8 1 1 A 4 4 ASN HA H 15 4.250 4.223 0.027 1
1 39 . 8 1 1 A 4 4 ASN C C 15 177.300 178.674 -1.374 1
1 40 . 8 1 1 A 4 4 ASN CA C 15 56.400 56.471 -0.071 1
1 41 . 8 1 1 A 4 4 ASN CB C 15 38.000 37.853 0.147 1
1 43 . 8 1 1 A 4 4 ASN N N 15 118.300 117.162 1.138 1
1 45 . 8 1 1 A 5 5 GLU H H 16 8.080 7.885 0.195 1
1 46 . 8 1 1 A 5 5 GLU HA H 16 3.970 3.986 -0.016 1
1 51 . 8 1 1 A 5 5 GLU C C 16 179.600 178.977 0.623 1
1 52 . 8 1 1 A 5 5 GLU CA C 16 59.200 58.987 0.213 1
1 53 . 8 1 1 A 5 5 GLU CB C 16 29.400 29.273 0.127 1
1 55 . 8 1 1 A 5 5 GLU N N 16 120.400 120.447 -0.047 1
1 56 . 8 1 1 A 6 6 GLN H H 17 7.930 7.748 0.182 1
1 57 . 8 1 1 A 6 6 GLN HA H 17 3.560 3.881 -0.321 1
1 64 . 8 1 1 A 6 6 GLN CA C 17 58.600 58.553 0.047 1
1 65 . 8 1 1 A 6 6 GLN CB C 17 28.100 28.006 0.094 1
1 68 . 8 1 1 A 6 6 GLN N N 17 117.900 119.223 -1.323 1
1 70 . 8 1 1 A 7 7 LYS H H 18 8.120 7.521 0.599 1
1 71 . 8 1 1 A 7 7 LYS HA H 18 3.350 3.875 -0.525 1
1 80 . 8 1 1 A 7 7 LYS C C 18 179.900 179.091 0.809 1
1 81 . 8 1 1 A 7 7 LYS CA C 18 60.600 59.643 0.957 1
1 82 . 8 1 1 A 7 7 LYS CB C 18 32.000 31.900 0.100 1
1 86 . 8 1 1 A 7 7 LYS N N 18 118.800 120.138 -1.338 1
1 87 . 8 1 1 A 8 8 GLU H H 19 7.740 7.827 -0.087 1
1 88 . 8 1 1 A 8 8 GLU HA H 19 4.040 4.139 -0.099 1
1 93 . 8 1 1 A 8 8 GLU C C 19 179.000 179.190 -0.190 1
1 94 . 8 1 1 A 8 8 GLU CA C 19 59.800 59.280 0.520 1
1 95 . 8 1 1 A 8 8 GLU CB C 19 29.100 29.154 -0.054 1
1 97 . 8 1 1 A 8 8 GLU N N 19 121.300 120.061 1.239 1
1 98 . 8 1 1 A 9 9 LYS H H 20 7.500 7.461 0.039 1
1 99 . 8 1 1 A 9 9 LYS HA H 20 3.950 3.825 0.125 1
1 108 . 8 1 1 A 9 9 LYS C C 20 178.100 179.475 -1.375 1
1 109 . 8 1 1 A 9 9 LYS CA C 20 60.500 59.239 1.261 1
1 110 . 8 1 1 A 9 9 LYS CB C 20 32.200 31.822 0.378 1
1 114 . 8 1 1 A 9 9 LYS N N 20 120.100 119.211 0.889 1
1 115 . 8 1 1 A 10 10 VAL H H 21 8.030 7.652 0.378 1
1 116 . 8 1 1 A 10 10 VAL HA H 21 3.410 3.536 -0.126 1
1 124 . 8 1 1 A 10 10 VAL C C 21 177.400 178.059 -0.659 1
1 125 . 8 1 1 A 10 10 VAL CA C 21 66.600 66.183 0.417 1
1 126 . 8 1 1 A 10 10 VAL CB C 21 31.800 31.607 0.193 1
1 129 . 8 1 1 A 10 10 VAL N N 21 117.300 119.668 -2.368 1
1 130 . 8 1 1 A 11 11 THR H H 22 8.230 8.113 0.117 1
1 131 . 8 1 1 A 11 11 THR HA H 22 3.580 3.884 -0.304 1
1 137 . 8 1 1 A 11 11 THR C C 22 174.700 176.177 -1.477 1
1 138 . 8 1 1 A 11 11 THR CA C 22 68.700 66.897 1.803 1
1 139 . 8 1 1 A 11 11 THR CB C 22 68.500 68.412 0.088 1
1 141 . 8 1 1 A 11 11 THR N N 22 115.700 117.460 -1.760 1
1 142 . 8 1 1 A 12 12 LEU H H 23 7.780 8.154 -0.374 1
1 143 . 8 1 1 A 12 12 LEU HA H 23 3.930 3.868 0.062 1
1 153 . 8 1 1 A 12 12 LEU C C 23 178.400 178.191 0.209 1
1 154 . 8 1 1 A 12 12 LEU CA C 23 58.500 58.040 0.460 1
1 155 . 8 1 1 A 12 12 LEU CB C 23 42.300 41.576 0.724 1
1 159 . 8 1 1 A 12 12 LEU N N 23 121.400 121.273 0.127 1
1 160 . 8 1 1 A 13 13 TYR H H 24 7.970 8.440 -0.470 1
1 161 . 8 1 1 A 13 13 TYR HA H 24 3.910 3.950 -0.040 1
1 168 . 8 1 1 A 13 13 TYR C C 24 177.400 177.019 0.381 1
1 169 . 8 1 1 A 13 13 TYR CA C 24 61.700 61.345 0.355 1
1 170 . 8 1 1 A 13 13 TYR CB C 24 39.400 38.825 0.575 1
1 175 . 8 1 1 A 13 13 TYR N N 24 119.100 119.423 -0.323 1
1 176 . 8 1 1 A 14 14 LEU H H 25 8.230 8.721 -0.491 1
1 177 . 8 1 1 A 14 14 LEU HA H 25 3.400 3.661 -0.261 1
1 187 . 8 1 1 A 14 14 LEU C C 25 177.200 179.155 -1.955 1
1 188 . 8 1 1 A 14 14 LEU CA C 25 57.600 57.746 -0.146 1
1 189 . 8 1 1 A 14 14 LEU CB C 25 42.200 41.204 0.996 1
1 193 . 8 1 1 A 14 14 LEU N N 25 119.600 119.494 0.106 1
1 194 . 8 1 1 A 15 15 LYS H H 26 8.010 8.054 -0.044 1
1 195 . 8 1 1 A 15 15 LYS HA H 26 3.230 3.760 -0.530 1
1 204 . 8 1 1 A 15 15 LYS C C 26 178.800 178.980 -0.180 1
1 205 . 8 1 1 A 15 15 LYS CA C 26 59.000 59.003 -0.003 1
1 206 . 8 1 1 A 15 15 LYS CB C 26 32.600 32.054 0.546 1
1 210 . 8 1 1 A 15 15 LYS N N 26 117.000 119.808 -2.808 1
1 211 . 8 1 1 A 16 16 HIS H H 27 7.890 7.796 0.094 1
1 212 . 8 1 1 A 16 16 HIS HA H 27 4.030 4.241 -0.211 1
1 217 . 8 1 1 A 16 16 HIS C C 27 175.900 177.739 -1.839 1
1 218 . 8 1 1 A 16 16 HIS CA C 27 59.000 60.198 -1.198 1
1 219 . 8 1 1 A 16 16 HIS CB C 27 30.900 30.280 0.620 1
1 222 . 8 1 1 A 16 16 HIS N N 27 113.200 117.998 -4.798 1
1 223 . 8 1 1 A 17 17 ASN H H 28 6.950 8.191 -1.241 1
1 224 . 8 1 1 A 17 17 ASN HA H 28 4.900 4.347 0.553 1
1 229 . 8 1 1 A 17 17 ASN C C 28 172.900 175.633 -2.733 1
1 230 . 8 1 1 A 17 17 ASN CA C 28 54.100 56.086 -1.986 1
1 231 . 8 1 1 A 17 17 ASN CB C 28 42.500 38.161 4.339 1
1 233 . 8 1 1 A 17 17 ASN N N 28 112.200 114.486 -2.286 1
1 235 . 8 1 1 A 18 18 ILE H H 29 7.310 8.363 -1.053 1
1 236 . 8 1 1 A 18 18 ILE HA H 29 4.560 4.553 0.007 1
1 246 . 8 1 1 A 18 18 ILE CA C 29 58.000 57.601 0.399 1
1 247 . 8 1 1 A 18 18 ILE CB C 29 38.000 39.566 -1.566 1
1 251 . 8 1 1 A 18 18 ILE N N 29 119.300 119.607 -0.307 1
1 252 . 8 1 1 A 19 19 PRO HA H 30 4.170 4.580 -0.410 1
1 259 . 8 1 1 A 19 19 PRO C C 30 178.000 177.127 0.873 1
1 260 . 8 1 1 A 19 19 PRO CA C 30 65.700 64.435 1.265 1
1 261 . 8 1 1 A 19 19 PRO CB C 30 32.100 31.841 0.259 1
1 264 . 8 1 1 A 20 20 ASP H H 31 8.470 8.223 0.247 1
1 265 . 8 1 1 A 20 20 ASP HA H 31 4.790 4.820 -0.030 1
1 268 . 8 1 1 A 20 20 ASP C C 31 175.600 175.859 -0.259 1
1 269 . 8 1 1 A 20 20 ASP CA C 31 53.800 53.907 -0.107 1
1 270 . 8 1 1 A 20 20 ASP CB C 31 39.600 41.369 -1.769 1
1 271 . 8 1 1 A 20 20 ASP N N 31 113.700 117.425 -3.725 1
1 272 . 8 1 1 A 21 21 PHE H H 32 7.890 7.475 0.415 1
1 273 . 8 1 1 A 21 21 PHE HA H 32 3.810 4.377 -0.567 1
1 281 . 8 1 1 A 21 21 PHE C C 32 174.200 175.323 -1.123 1
1 282 . 8 1 1 A 21 21 PHE CA C 32 61.100 59.657 1.443 1
1 283 . 8 1 1 A 21 21 PHE CB C 32 39.900 39.838 0.062 1
1 289 . 8 1 1 A 21 21 PHE N N 32 122.200 123.650 -1.450 1
1 290 . 8 1 1 A 22 22 ASN H H 33 9.380 8.564 0.816 1
1 291 . 8 1 1 A 22 22 ASN HA H 33 4.680 4.868 -0.188 1
1 296 . 8 1 1 A 22 22 ASN C C 33 173.600 174.015 -0.415 1
1 297 . 8 1 1 A 22 22 ASN CA C 33 54.600 54.635 -0.035 1
1 298 . 8 1 1 A 22 22 ASN CB C 33 41.700 40.709 0.991 1
1 300 . 8 1 1 A 22 22 ASN N N 33 126.600 126.059 0.541 1
1 302 . 8 1 1 A 23 23 THR H H 34 7.010 7.315 -0.305 1
1 303 . 8 1 1 A 23 23 THR HA H 34 4.280 4.641 -0.361 1
1 308 . 8 1 1 A 23 23 THR C C 34 171.100 171.372 -0.272 1
1 309 . 8 1 1 A 23 23 THR CA C 34 60.300 60.310 -0.010 1
1 310 . 8 1 1 A 23 23 THR CB C 34 71.100 70.933 0.167 1
1 312 . 8 1 1 A 23 23 THR N N 34 109.600 111.360 -1.760 1
1 313 . 8 1 1 A 24 24 VAL H H 35 8.290 8.777 -0.487 1
1 314 . 8 1 1 A 24 24 VAL HA H 35 4.850 4.826 0.024 1
1 322 . 8 1 1 A 24 24 VAL C C 35 171.400 173.307 -1.907 1
1 323 . 8 1 1 A 24 24 VAL CA C 35 59.300 60.175 -0.875 1
1 324 . 8 1 1 A 24 24 VAL CB C 35 35.500 35.665 -0.165 1
1 327 . 8 1 1 A 24 24 VAL N N 35 119.500 123.079 -3.579 1
1 328 . 8 1 1 A 25 25 THR H H 36 8.200 8.144 0.056 1
1 329 . 8 1 1 A 25 25 THR HA H 36 4.150 4.702 -0.552 1
1 334 . 8 1 1 A 25 25 THR C C 36 171.900 173.072 -1.172 1
1 335 . 8 1 1 A 25 25 THR CA C 36 61.100 60.538 0.562 1
1 336 . 8 1 1 A 25 25 THR CB C 36 70.900 70.977 -0.077 1
1 338 . 8 1 1 A 25 25 THR N N 36 125.200 122.817 2.383 1
1 339 . 8 1 1 A 26 26 PHE H H 37 8.900 8.430 0.470 1
1 340 . 8 1 1 A 26 26 PHE HA H 37 5.140 4.997 0.143 1
1 348 . 8 1 1 A 26 26 PHE C C 37 176.900 175.322 1.578 1
1 349 . 8 1 1 A 26 26 PHE CA C 37 58.100 57.325 0.775 1
1 350 . 8 1 1 A 26 26 PHE CB C 37 39.900 41.318 -1.418 1
1 356 . 8 1 1 A 26 26 PHE N N 37 124.500 125.964 -1.464 1
1 357 . 8 1 1 A 27 27 THR H H 38 9.090 9.101 -0.011 1
1 358 . 8 1 1 A 27 27 THR HA H 38 4.430 4.659 -0.229 1
1 363 . 8 1 1 A 27 27 THR C C 38 174.800 173.419 1.381 1
1 364 . 8 1 1 A 27 27 THR CA C 38 61.600 61.965 -0.365 1
1 365 . 8 1 1 A 27 27 THR CB C 38 69.400 71.312 -1.912 1
1 367 . 8 1 1 A 27 27 THR N N 38 114.000 116.259 -2.259 1
1 368 . 8 1 1 A 28 28 ASN H H 39 7.880 9.524 -1.644 1
1 369 . 8 1 1 A 28 28 ASN HA H 39 4.780 4.939 -0.159 1
1 374 . 8 1 1 A 28 28 ASN C C 39 173.700 174.907 -1.207 1
1 375 . 8 1 1 A 28 28 ASN CA C 39 54.100 55.128 -1.028 1
1 376 . 8 1 1 A 28 28 ASN CB C 39 40.800 37.390 3.410 1
1 378 . 8 1 1 A 28 28 ASN N N 39 118.900 127.216 -8.316 1
1 380 . 8 1 1 A 29 29 GLU H H 40 8.150 9.140 -0.990 1
1 381 . 8 1 1 A 29 29 GLU HA H 40 4.560 4.011 0.549 1
1 386 . 8 1 1 A 29 29 GLU C C 40 174.800 176.471 -1.671 1
1 387 . 8 1 1 A 29 29 GLU CA C 40 55.600 57.353 -1.753 1
1 388 . 8 1 1 A 29 29 GLU CB C 40 30.500 28.352 2.148 1
1 390 . 8 1 1 A 29 29 GLU N N 40 121.700 121.824 -0.124 1
1 391 . 8 1 1 A 30 30 GLU H H 41 8.410 8.650 -0.240 1
1 392 . 8 1 1 A 30 30 GLU HA H 41 4.410 4.740 -0.330 1
1 397 . 8 1 1 A 30 30 GLU C C 41 175.100 175.449 -0.349 1
1 398 . 8 1 1 A 30 30 GLU CA C 41 55.400 56.641 -1.241 1
1 399 . 8 1 1 A 30 30 GLU CB C 41 32.200 32.075 0.125 1
1 401 . 8 1 1 A 30 30 GLU N N 41 120.500 124.769 -4.269 1
1 402 . 8 1 1 A 31 31 PHE H H 42 8.570 7.838 0.732 1
1 403 . 8 1 1 A 31 31 PHE HA H 42 4.820 5.311 -0.491 1
1 411 . 8 1 1 A 31 31 PHE C C 42 174.800 174.226 0.574 1
1 412 . 8 1 1 A 31 31 PHE CA C 42 57.800 56.636 1.164 1
1 413 . 8 1 1 A 31 31 PHE CB C 42 40.200 41.853 -1.653 1
1 419 . 8 1 1 A 31 31 PHE N N 42 120.700 117.431 3.269 1
1 420 . 8 1 1 A 32 32 ASN H H 43 8.350 8.264 0.086 1
1 421 . 8 1 1 A 32 32 ASN HA H 43 4.950 5.199 -0.249 1
1 426 . 8 1 1 A 32 32 ASN CA C 43 51.600 50.576 1.024 1
1 427 . 8 1 1 A 32 32 ASN CB C 43 39.300 41.877 -2.577 1
1 429 . 8 1 1 A 32 32 ASN N N 43 122.000 119.163 2.837 1
1 431 . 8 1 1 A 33 33 PRO HA H 44 4.260 4.366 -0.106 1
1 438 . 8 1 1 A 33 33 PRO C C 44 177.400 177.801 -0.401 1
1 439 . 8 1 1 A 33 33 PRO CA C 44 65.300 65.678 -0.378 1
1 440 . 8 1 1 A 33 33 PRO CB C 44 32.200 31.910 0.290 1
1 443 . 8 1 1 A 34 34 ILE H H 45 7.840 7.875 -0.035 1
1 444 . 8 1 1 A 34 34 ILE HA H 45 4.240 4.170 0.070 1
1 454 . 8 1 1 A 34 34 ILE C C 45 176.400 175.962 0.438 1
1 455 . 8 1 1 A 34 34 ILE CA C 45 61.000 60.996 0.004 1
1 456 . 8 1 1 A 34 34 ILE CB C 45 38.600 38.079 0.521 1
1 460 . 8 1 1 A 34 34 ILE N N 45 113.700 116.586 -2.886 1
1 461 . 8 1 1 A 35 35 GLY H H 46 7.860 8.215 -0.355 1
1 462 . 8 1 1 A 35 35 GLY HA2 H 46 3.870 3.824 0.046 1
1 463 . 8 1 1 A 35 35 GLY HA3 H 46 4.130 3.858 0.272 1
1 464 . 8 1 1 A 35 35 GLY C C 46 172.700 173.575 -0.875 1
1 465 . 8 1 1 A 35 35 GLY CA C 46 45.900 47.305 -1.405 1
1 466 . 8 1 1 A 35 35 GLY N N 46 111.900 108.932 2.968 1
1 467 . 8 1 1 A 36 36 ILE H H 47 8.180 8.148 0.032 1
1 468 . 8 1 1 A 36 36 ILE HA H 47 4.720 5.125 -0.405 1
1 478 . 8 1 1 A 36 36 ILE C C 47 174.900 174.195 0.705 1
1 479 . 8 1 1 A 36 36 ILE CA C 47 60.500 58.620 1.880 1
1 480 . 8 1 1 A 36 36 ILE CB C 47 40.800 41.068 -0.268 1
1 484 . 8 1 1 A 36 36 ILE N N 47 118.300 122.665 -4.365 1
1 485 . 8 1 1 A 37 37 SER H H 48 8.430 8.636 -0.206 1
1 486 . 8 1 1 A 37 37 SER HA H 48 4.990 5.341 -0.351 1
1 489 . 8 1 1 A 37 37 SER C C 48 172.900 173.081 -0.181 1
1 490 . 8 1 1 A 37 37 SER CA C 48 57.800 57.084 0.716 1
1 491 . 8 1 1 A 37 37 SER CB C 48 65.600 66.385 -0.785 1
1 492 . 8 1 1 A 37 37 SER N N 48 116.700 119.058 -2.358 1
1 493 . 8 1 1 A 38 38 ILE H H 49 9.150 9.007 0.143 1
1 494 . 8 1 1 A 38 38 ILE HA H 49 4.720 4.793 -0.073 1
1 504 . 8 1 1 A 38 38 ILE C C 49 173.900 174.395 -0.495 1
1 505 . 8 1 1 A 38 38 ILE CA C 49 60.600 60.222 0.378 1
1 506 . 8 1 1 A 38 38 ILE CB C 49 41.000 40.664 0.336 1
1 510 . 8 1 1 A 38 38 ILE N N 49 124.300 122.835 1.465 1
1 511 . 8 1 1 A 39 39 ASP H H 50 8.700 9.119 -0.419 1
1 512 . 8 1 1 A 39 39 ASP HA H 50 5.540 5.950 -0.410 1
1 515 . 8 1 1 A 39 39 ASP C C 50 176.200 175.396 0.804 1
1 516 . 8 1 1 A 39 39 ASP CA C 50 52.300 52.484 -0.184 1
1 517 . 8 1 1 A 39 39 ASP CB C 50 44.300 44.696 -0.396 1
1 518 . 8 1 1 A 39 39 ASP N N 50 126.600 127.890 -1.290 1
1 519 . 8 1 1 A 40 40 GLY H H 51 7.100 8.660 -1.560 1
1 520 . 8 1 1 A 40 40 GLY HA2 H 51 3.780 4.308 -0.528 1
1 521 . 8 1 1 A 40 40 GLY HA3 H 51 4.070 4.361 -0.291 1
1 522 . 8 1 1 A 40 40 GLY C C 51 170.100 172.271 -2.171 1
1 523 . 8 1 1 A 40 40 GLY CA C 51 47.200 46.321 0.879 1
1 524 . 8 1 1 A 40 40 GLY N N 51 106.400 112.220 -5.820 1
1 525 . 8 1 1 A 41 41 TYR H H 52 8.390 8.212 0.178 1
1 526 . 8 1 1 A 41 41 TYR HA H 52 5.530 5.970 -0.440 1
1 533 . 8 1 1 A 41 41 TYR C C 52 175.200 173.110 2.090 1
1 534 . 8 1 1 A 41 41 TYR CA C 52 56.000 56.018 -0.018 1
1 535 . 8 1 1 A 41 41 TYR CB C 52 39.200 42.401 -3.201 1
1 540 . 8 1 1 A 41 41 TYR N N 52 113.900 116.039 -2.139 1
1 541 . 8 1 1 A 42 42 ILE H H 53 8.420 8.358 0.062 1
1 542 . 8 1 1 A 42 42 ILE HA H 53 5.450 4.854 0.596 1
1 552 . 8 1 1 A 42 42 ILE C C 53 174.500 175.098 -0.598 1
1 553 . 8 1 1 A 42 42 ILE CA C 53 59.300 59.388 -0.088 1
1 554 . 8 1 1 A 42 42 ILE CB C 53 40.700 41.130 -0.430 1
1 558 . 8 1 1 A 42 42 ILE N N 53 113.200 116.957 -3.757 1
1 559 . 8 1 1 A 43 43 ASN H H 54 8.760 9.041 -0.281 1
1 560 . 8 1 1 A 43 43 ASN HA H 54 4.120 4.370 -0.250 1
1 565 . 8 1 1 A 43 43 ASN C C 54 173.900 175.262 -1.362 1
1 566 . 8 1 1 A 43 43 ASN CA C 54 53.300 54.569 -1.269 1
1 567 . 8 1 1 A 43 43 ASN CB C 54 35.500 36.985 -1.485 1
1 569 . 8 1 1 A 43 43 ASN N N 54 116.700 118.888 -2.188 1
1 571 . 8 1 1 A 44 44 ASN H H 55 9.270 8.629 0.641 1
1 572 . 8 1 1 A 44 44 ASN HA H 55 4.260 4.536 -0.276 1
1 577 . 8 1 1 A 44 44 ASN C C 55 173.600 174.514 -0.914 1
1 578 . 8 1 1 A 44 44 ASN CA C 55 54.800 54.373 0.427 1
1 579 . 8 1 1 A 44 44 ASN CB C 55 38.100 37.596 0.504 1
1 581 . 8 1 1 A 44 44 ASN N N 55 110.300 116.182 -5.882 1
1 583 . 8 1 1 A 45 45 ASP H H 56 8.100 8.003 0.097 1
1 584 . 8 1 1 A 45 45 ASP HA H 56 4.760 4.821 -0.061 1
1 587 . 8 1 1 A 45 45 ASP C C 56 175.900 176.291 -0.391 1
1 588 . 8 1 1 A 45 45 ASP CA C 56 52.600 52.723 -0.123 1
1 589 . 8 1 1 A 45 45 ASP CB C 56 42.000 41.499 0.501 1
1 590 . 8 1 1 A 45 45 ASP N N 56 119.500 119.046 0.454 1
1 591 . 8 1 1 A 46 46 LYS H H 57 8.260 8.656 -0.396 1
1 592 . 8 1 1 A 46 46 LYS HA H 57 2.760 3.718 -0.958 1
1 601 . 8 1 1 A 46 46 LYS C C 57 177.100 178.552 -1.452 1
1 602 . 8 1 1 A 46 46 LYS CA C 57 58.400 59.449 -1.049 1
1 603 . 8 1 1 A 46 46 LYS CB C 57 31.700 32.023 -0.323 1
1 607 . 8 1 1 A 46 46 LYS N N 57 124.100 125.568 -1.468 1
1 608 . 8 1 1 A 47 47 ASN H H 58 8.610 7.894 0.716 1
1 609 . 8 1 1 A 47 47 ASN HA H 58 4.620 4.524 0.096 1
1 614 . 8 1 1 A 47 47 ASN C C 58 177.000 176.665 0.335 1
1 615 . 8 1 1 A 47 47 ASN CA C 58 54.400 56.285 -1.885 1
1 616 . 8 1 1 A 47 47 ASN CB C 58 38.500 38.424 0.076 1
1 618 . 8 1 1 A 47 47 ASN N N 58 114.800 117.224 -2.424 1
1 620 . 8 1 1 A 48 48 LEU H H 59 8.470 7.478 0.992 1
1 621 . 8 1 1 A 48 48 LEU HA H 59 4.470 4.440 0.030 1
1 631 . 8 1 1 A 48 48 LEU C C 59 175.300 175.429 -0.129 1
1 632 . 8 1 1 A 48 48 LEU CA C 59 52.800 54.316 -1.516 1
1 633 . 8 1 1 A 48 48 LEU CB C 59 39.100 40.424 -1.324 1
1 637 . 8 1 1 A 48 48 LEU N N 59 125.800 120.412 5.388 1
1 638 . 8 1 1 A 49 49 SER H H 60 7.270 8.335 -1.065 1
1 639 . 8 1 1 A 49 49 SER HA H 60 5.230 5.596 -0.366 1
1 642 . 8 1 1 A 49 49 SER C C 60 173.200 173.322 -0.122 1
1 643 . 8 1 1 A 49 49 SER CA C 60 56.900 56.672 0.228 1
1 644 . 8 1 1 A 49 49 SER CB C 60 66.500 65.256 1.244 1
1 645 . 8 1 1 A 49 49 SER N N 60 112.400 118.807 -6.407 1
1 646 . 8 1 1 A 50 50 PHE H H 61 8.260 9.811 -1.551 1
1 647 . 8 1 1 A 50 50 PHE HA H 61 5.490 5.405 0.085 1
1 655 . 8 1 1 A 50 50 PHE C C 61 174.500 174.272 0.228 1
1 656 . 8 1 1 A 50 50 PHE CA C 61 56.300 56.899 -0.599 1
1 657 . 8 1 1 A 50 50 PHE CB C 61 44.600 43.465 1.135 1
1 663 . 8 1 1 A 50 50 PHE N N 61 114.200 122.582 -8.382 1
1 664 . 8 1 1 A 51 51 THR H H 62 8.520 9.201 -0.681 1
1 665 . 8 1 1 A 51 51 THR HA H 62 5.140 5.583 -0.443 1
1 670 . 8 1 1 A 51 51 THR C C 62 172.600 173.649 -1.049 1
1 671 . 8 1 1 A 51 51 THR CA C 62 62.000 61.142 0.858 1
1 672 . 8 1 1 A 51 51 THR CB C 62 72.000 71.358 0.642 1
1 674 . 8 1 1 A 51 51 THR N N 62 116.000 118.562 -2.562 1
1 675 . 8 1 1 A 52 52 ALA H H 63 9.870 8.696 1.174 1
1 676 . 8 1 1 A 52 52 ALA HA H 63 5.180 5.375 -0.195 1
1 680 . 8 1 1 A 52 52 ALA C C 63 176.300 176.124 0.176 1
1 681 . 8 1 1 A 52 52 ALA CA C 63 50.300 51.010 -0.710 1
1 682 . 8 1 1 A 52 52 ALA CB C 63 24.000 23.179 0.821 1
1 683 . 8 1 1 A 52 52 ALA N N 63 130.400 127.273 3.127 1
1 684 . 8 1 1 A 53 53 GLY H H 64 8.340 8.703 -0.363 1
1 685 . 8 1 1 A 53 53 GLY HA2 H 64 3.630 4.025 -0.395 1
1 686 . 8 1 1 A 53 53 GLY HA3 H 64 4.830 4.029 0.801 1
1 687 . 8 1 1 A 53 53 GLY C C 64 173.200 174.708 -1.508 1
1 688 . 8 1 1 A 53 53 GLY CA C 64 43.200 45.206 -2.006 1
1 689 . 8 1 1 A 53 53 GLY N N 64 107.100 108.006 -0.906 1
1 690 . 8 1 1 A 54 54 LYS H H 65 8.430 8.881 -0.451 1
1 691 . 8 1 1 A 54 54 LYS HA H 65 3.750 3.828 -0.078 1
1 700 . 8 1 1 A 54 54 LYS CA C 65 58.300 58.228 0.072 1
1 701 . 8 1 1 A 54 54 LYS CB C 65 32.600 31.271 1.329 1
1 705 . 8 1 1 A 54 54 LYS N N 65 119.300 119.479 -0.179 1
1 708 . 8 1 1 A 55 55 ASP C C 66 172.900 177.175 -4.275 1
1 709 . 8 1 1 A 56 56 VAL H H 67 8.510 8.162 0.348 1
1 710 . 8 1 1 A 56 56 VAL HA H 67 3.100 4.175 -1.075 1
1 718 . 8 1 1 A 56 56 VAL C C 67 176.400 175.312 1.088 1
1 719 . 8 1 1 A 56 56 VAL CA C 67 62.800 61.692 1.108 1
1 720 . 8 1 1 A 56 56 VAL CB C 67 30.400 33.192 -2.792 1
1 723 . 8 1 1 A 56 56 VAL N N 67 112.700 114.867 -2.167 1
1 724 . 8 1 1 A 57 57 LYS H H 68 7.580 7.239 0.341 1
1 725 . 8 1 1 A 57 57 LYS HA H 68 4.000 3.953 0.047 1
1 734 . 8 1 1 A 57 57 LYS C C 68 176.700 176.546 0.154 1
1 735 . 8 1 1 A 57 57 LYS CA C 68 58.400 58.239 0.161 1
1 736 . 8 1 1 A 57 57 LYS CB C 68 32.100 32.118 -0.018 1
1 740 . 8 1 1 A 57 57 LYS N N 68 118.700 124.018 -5.318 1
1 741 . 8 1 1 A 58 58 ILE H H 69 7.160 8.601 -1.441 1
1 742 . 8 1 1 A 58 58 ILE HA H 69 4.270 3.800 0.470 1
1 752 . 8 1 1 A 58 58 ILE C C 69 174.300 175.679 -1.379 1
1 753 . 8 1 1 A 58 58 ILE CA C 69 59.900 62.267 -2.367 1
1 754 . 8 1 1 A 58 58 ILE CB C 69 41.000 36.985 4.015 1
1 758 . 8 1 1 A 58 58 ILE N N 69 115.700 123.136 -7.436 1
1 759 . 8 1 1 A 59 59 PHE H H 70 8.560 7.807 0.753 1
1 760 . 8 1 1 A 59 59 PHE HA H 70 4.890 5.948 -1.058 1
1 765 . 8 1 1 A 59 59 PHE C C 70 173.500 173.457 0.043 1
1 766 . 8 1 1 A 59 59 PHE CA C 70 58.700 55.476 3.224 1
1 767 . 8 1 1 A 59 59 PHE CB C 70 42.400 42.759 -0.359 1
1 770 . 8 1 1 A 59 59 PHE N N 70 127.500 124.201 3.299 1
1 771 . 8 1 1 A 60 60 SER H H 71 8.430 9.084 -0.654 1
1 772 . 8 1 1 A 60 60 SER HA H 71 4.850 5.741 -0.891 1
1 775 . 8 1 1 A 60 60 SER C C 71 172.100 173.247 -1.147 1
1 776 . 8 1 1 A 60 60 SER CA C 71 56.900 57.070 -0.170 1
1 777 . 8 1 1 A 60 60 SER CB C 71 65.000 66.245 -1.245 1
1 778 . 8 1 1 A 60 60 SER N N 71 124.200 118.341 5.859 1
1 779 . 8 1 1 A 61 61 SER H H 72 8.630 8.864 -0.234 1
1 780 . 8 1 1 A 61 61 SER HA H 72 5.380 4.866 0.514 1
1 783 . 8 1 1 A 61 61 SER C C 72 174.700 173.194 1.506 1
1 784 . 8 1 1 A 61 61 SER CA C 72 57.400 57.111 0.289 1
1 785 . 8 1 1 A 61 61 SER CB C 72 68.200 65.626 2.574 1
1 786 . 8 1 1 A 61 61 SER N N 72 116.900 117.325 -0.425 1
1 787 . 8 1 1 A 62 62 SER H H 73 8.810 8.172 0.638 1
1 788 . 8 1 1 A 62 62 SER HA H 73 4.570 4.522 0.048 1
1 792 . 8 1 1 A 62 62 SER C C 73 175.000 175.951 -0.951 1
1 793 . 8 1 1 A 62 62 SER CA C 73 57.600 57.521 0.079 1
1 794 . 8 1 1 A 62 62 SER CB C 73 65.400 65.211 0.189 1
1 795 . 8 1 1 A 62 62 SER N N 73 117.000 116.391 0.609 1
1 796 . 8 1 1 A 63 63 GLU H H 74 9.240 9.069 0.171 1
1 797 . 8 1 1 A 63 63 GLU HA H 74 4.140 3.961 0.179 1
1 802 . 8 1 1 A 63 63 GLU C C 74 179.000 178.285 0.715 1
1 803 . 8 1 1 A 63 63 GLU CA C 74 60.100 59.928 0.172 1
1 804 . 8 1 1 A 63 63 GLU CB C 74 29.600 29.464 0.136 1
1 806 . 8 1 1 A 63 63 GLU N N 74 123.600 120.692 2.908 1
1 807 . 8 1 1 A 64 64 GLU H H 75 8.970 8.066 0.904 1
1 808 . 8 1 1 A 64 64 GLU HA H 75 3.950 3.997 -0.047 1
1 813 . 8 1 1 A 64 64 GLU C C 75 179.000 179.388 -0.388 1
1 814 . 8 1 1 A 64 64 GLU CA C 75 60.100 58.877 1.223 1
1 815 . 8 1 1 A 64 64 GLU CB C 75 29.500 29.327 0.173 1
1 817 . 8 1 1 A 64 64 GLU N N 75 117.000 120.154 -3.154 1
1 818 . 8 1 1 A 65 65 LEU H H 76 7.740 7.562 0.178 1
1 819 . 8 1 1 A 65 65 LEU HA H 76 4.330 4.096 0.234 1
1 829 . 8 1 1 A 65 65 LEU C C 76 178.900 178.238 0.662 1
1 830 . 8 1 1 A 65 65 LEU CA C 76 57.500 57.195 0.305 1
1 831 . 8 1 1 A 65 65 LEU CB C 76 41.800 41.227 0.573 1
1 835 . 8 1 1 A 65 65 LEU N N 76 119.900 121.378 -1.478 1
1 836 . 8 1 1 A 66 66 ASP H H 77 8.620 8.445 0.175 1
1 837 . 8 1 1 A 66 66 ASP HA H 77 4.580 4.198 0.382 1
1 840 . 8 1 1 A 66 66 ASP C C 77 178.800 177.861 0.939 1
1 841 . 8 1 1 A 66 66 ASP CA C 77 58.300 57.317 0.983 1
1 842 . 8 1 1 A 66 66 ASP CB C 77 42.100 40.866 1.234 1
1 843 . 8 1 1 A 66 66 ASP N N 77 120.300 119.136 1.164 1
1 844 . 8 1 1 A 67 67 LYS H H 78 7.210 7.624 -0.414 1
1 845 . 8 1 1 A 67 67 LYS HA H 78 4.240 3.897 0.343 1
1 854 . 8 1 1 A 67 67 LYS C C 78 177.400 177.980 -0.580 1
1 855 . 8 1 1 A 67 67 LYS CA C 78 58.000 58.224 -0.224 1
1 856 . 8 1 1 A 67 67 LYS CB C 78 33.000 31.610 1.390 1
1 860 . 8 1 1 A 67 67 LYS N N 78 113.200 117.706 -4.506 1
1 861 . 8 1 1 A 68 68 MET H H 79 8.210 7.816 0.394 1
1 862 . 8 1 1 A 68 68 MET HA H 79 4.270 4.173 0.097 1
1 870 . 8 1 1 A 68 68 MET C C 79 176.800 176.549 0.251 1
1 871 . 8 1 1 A 68 68 MET CA C 79 56.800 58.229 -1.429 1
1 872 . 8 1 1 A 68 68 MET CB C 79 33.900 33.454 0.446 1
1 875 . 8 1 1 A 68 68 MET N N 79 116.400 118.235 -1.835 1
1 876 . 8 1 1 A 69 69 PHE H H 80 7.330 7.265 0.065 1
1 877 . 8 1 1 A 69 69 PHE HA H 80 4.300 4.788 -0.488 1
1 882 . 8 1 1 A 69 69 PHE C C 80 176.900 175.214 1.686 1
1 883 . 8 1 1 A 69 69 PHE CA C 80 59.300 55.682 3.618 1
1 884 . 8 1 1 A 69 69 PHE CB C 80 40.600 40.611 -0.011 1
1 887 . 8 1 1 A 69 69 PHE N N 80 118.100 116.559 1.541 1
1 888 . 8 1 1 A 70 70 GLN H H 81 8.540 9.217 -0.677 1
1 889 . 8 1 1 A 70 70 GLN HA H 81 4.450 4.495 -0.045 1
1 896 . 8 1 1 A 70 70 GLN C C 81 174.200 175.887 -1.687 1
1 897 . 8 1 1 A 70 70 GLN CA C 81 55.000 56.586 -1.586 1
1 898 . 8 1 1 A 70 70 GLN CB C 81 29.400 29.852 -0.452 1
1 901 . 8 1 1 A 70 70 GLN N N 81 121.600 121.953 -0.353 1
1 903 . 8 1 1 A 71 71 GLU H H 82 8.340 7.898 0.442 1
1 904 . 8 1 1 A 71 71 GLU HA H 82 4.780 4.852 -0.072 1
1 909 . 8 1 1 A 71 71 GLU CA C 82 53.100 53.925 -0.825 1
1 910 . 8 1 1 A 71 71 GLU CB C 82 30.600 30.388 0.212 1
1 912 . 8 1 1 A 71 71 GLU N N 82 122.900 118.931 3.969 1
1 913 . 8 1 1 A 72 72 PRO HA H 83 4.880 4.536 0.344 1
1 920 . 8 1 1 A 72 72 PRO C C 83 176.200 176.681 -0.481 1
1 921 . 8 1 1 A 72 72 PRO CA C 83 62.100 63.057 -0.957 1
1 922 . 8 1 1 A 72 72 PRO CB C 83 33.800 31.631 2.169 1
1 925 . 8 1 1 A 73 73 ARG H H 84 8.580 8.993 -0.413 1
1 926 . 8 1 1 A 73 73 ARG HA H 84 4.390 4.672 -0.282 1
1 934 . 8 1 1 A 73 73 ARG C C 84 176.000 175.559 0.441 1
1 935 . 8 1 1 A 73 73 ARG CA C 84 56.000 55.001 0.999 1
1 936 . 8 1 1 A 73 73 ARG CB C 84 31.100 31.905 -0.805 1
1 940 . 8 1 1 A 73 73 ARG N N 84 123.400 121.934 1.466 1
1 942 . 8 1 1 A 74 74 LYS H H 85 9.080 8.575 0.505 1
1 943 . 8 1 1 A 74 74 LYS HA H 85 4.540 4.765 -0.225 1
1 952 . 8 1 1 A 74 74 LYS C C 85 176.500 176.140 0.360 1
1 953 . 8 1 1 A 74 74 LYS CA C 85 55.000 55.310 -0.310 1
1 954 . 8 1 1 A 74 74 LYS CB C 85 34.900 33.199 1.701 1
1 958 . 8 1 1 A 74 74 LYS N N 85 123.300 120.708 2.592 1
1 959 . 8 1 1 A 75 75 GLY H H 86 8.870 8.685 0.185 1
1 960 . 8 1 1 A 75 75 GLY HA2 H 86 3.930 4.098 -0.168 1
1 961 . 8 1 1 A 75 75 GLY HA3 H 86 4.350 4.133 0.217 1
1 962 . 8 1 1 A 75 75 GLY C C 86 174.000 174.928 -0.928 1
1 963 . 8 1 1 A 75 75 GLY CA C 86 44.600 44.667 -0.067 1
1 964 . 8 1 1 A 75 75 GLY N N 86 108.700 110.058 -1.358 1
1 965 . 8 1 1 A 76 76 TYR H H 87 8.880 9.067 -0.187 1
1 966 . 8 1 1 A 76 76 TYR HA H 87 3.930 4.043 -0.113 1
1 973 . 8 1 1 A 76 76 TYR C C 87 175.800 177.337 -1.537 1
1 974 . 8 1 1 A 76 76 TYR CA C 87 62.900 61.376 1.524 1
1 975 . 8 1 1 A 76 76 TYR CB C 87 38.700 38.714 -0.014 1
1 980 . 8 1 1 A 76 76 TYR N N 87 120.400 120.622 -0.222 1
1 981 . 8 1 1 A 77 77 ASP H H 88 8.450 8.555 -0.105 1
1 982 . 8 1 1 A 77 77 ASP HA H 88 4.000 4.075 -0.075 1
1 985 . 8 1 1 A 77 77 ASP C C 88 178.200 178.157 0.043 1
1 986 . 8 1 1 A 77 77 ASP CA C 88 57.000 57.847 -0.847 1
1 987 . 8 1 1 A 77 77 ASP CB C 88 39.600 41.463 -1.863 1
1 988 . 8 1 1 A 77 77 ASP N N 88 115.800 119.630 -3.830 1
1 989 . 8 1 1 A 78 78 GLU H H 89 7.520 8.305 -0.785 1
1 990 . 8 1 1 A 78 78 GLU HA H 89 4.020 4.102 -0.082 1
1 995 . 8 1 1 A 78 78 GLU C C 89 178.500 179.141 -0.641 1
1 996 . 8 1 1 A 78 78 GLU CA C 89 58.500 59.106 -0.606 1
1 997 . 8 1 1 A 78 78 GLU CB C 89 30.100 29.540 0.560 1
1 999 . 8 1 1 A 78 78 GLU N N 89 119.600 119.109 0.491 1
1 1000 . 8 1 1 A 79 79 ILE H H 90 7.850 7.498 0.352 1
1 1001 . 8 1 1 A 79 79 ILE HA H 90 3.300 3.930 -0.630 1
1 1011 . 8 1 1 A 79 79 ILE C C 90 177.700 177.882 -0.182 1
1 1012 . 8 1 1 A 79 79 ILE CA C 90 64.600 64.329 0.271 1
1 1013 . 8 1 1 A 79 79 ILE CB C 90 37.700 36.930 0.770 1
1 1017 . 8 1 1 A 79 79 ILE N N 90 121.700 120.217 1.483 1
1 1018 . 8 1 1 A 80 80 LEU H H 91 7.710 7.799 -0.089 1
1 1019 . 8 1 1 A 80 80 LEU HA H 91 3.780 3.837 -0.057 1
1 1029 . 8 1 1 A 80 80 LEU C C 91 178.600 178.675 -0.075 1
1 1030 . 8 1 1 A 80 80 LEU CA C 91 56.900 58.397 -1.497 1
1 1031 . 8 1 1 A 80 80 LEU CB C 91 41.600 41.398 0.202 1
1 1035 . 8 1 1 A 80 80 LEU N N 91 120.500 123.370 -2.870 1
1 1036 . 8 1 1 A 81 81 GLU H H 92 7.620 8.130 -0.510 1
1 1037 . 8 1 1 A 81 81 GLU HA H 92 3.960 4.044 -0.084 1
1 1042 . 8 1 1 A 81 81 GLU C C 92 177.400 177.176 0.224 1
1 1043 . 8 1 1 A 81 81 GLU CA C 92 58.300 59.607 -1.307 1
1 1044 . 8 1 1 A 81 81 GLU CB C 92 29.700 29.404 0.296 1
1 1046 . 8 1 1 A 81 81 GLU N N 92 118.100 119.022 -0.922 1
1 1047 . 8 1 1 A 82 82 HIS H H 93 7.840 7.723 0.117 1
1 1048 . 8 1 1 A 82 82 HIS HA H 93 4.440 5.023 -0.583 1
1 1051 . 8 1 1 A 82 82 HIS C C 93 175.600 174.376 1.224 1
1 1052 . 8 1 1 A 82 82 HIS CA C 93 57.000 54.927 2.073 1
1 1053 . 8 1 1 A 82 82 HIS CB C 93 29.800 30.279 -0.479 1
1 1054 . 8 1 1 A 82 82 HIS N N 93 116.900 116.260 0.640 1
1 1055 . 8 1 1 A 83 83 HIS H H 94 8.080 8.751 -0.671 1
1 1056 . 8 1 1 A 83 83 HIS HA H 94 4.480 5.078 -0.598 1
1 1059 . 8 1 1 A 83 83 HIS CA C 94 56.700 55.486 1.214 1
1 1060 . 8 1 1 A 83 83 HIS CB C 94 29.900 33.443 -3.543 1
1 1 . 9 1 1 A 2 2 PHE HA H 13 4.400 4.045 0.355 1
1 9 . 9 1 1 A 2 2 PHE C C 13 176.400 177.857 -1.457 1
1 10 . 9 1 1 A 2 2 PHE CA C 13 60.700 61.105 -0.405 1
1 11 . 9 1 1 A 2 2 PHE CB C 13 39.700 38.409 1.291 1
1 17 . 9 1 1 A 3 3 PHE H H 14 9.000 8.112 0.888 1
1 18 . 9 1 1 A 3 3 PHE HA H 14 4.000 4.201 -0.201 1
1 25 . 9 1 1 A 3 3 PHE C C 14 177.400 177.576 -0.176 1
1 26 . 9 1 1 A 3 3 PHE CA C 14 61.400 62.066 -0.666 1
1 27 . 9 1 1 A 3 3 PHE CB C 14 38.400 38.145 0.255 1
1 32 . 9 1 1 A 3 3 PHE N N 14 118.700 118.232 0.468 1
1 33 . 9 1 1 A 4 4 ASN H H 15 8.000 8.266 -0.266 1
1 34 . 9 1 1 A 4 4 ASN HA H 15 4.250 4.355 -0.105 1
1 39 . 9 1 1 A 4 4 ASN C C 15 177.300 177.541 -0.241 1
1 40 . 9 1 1 A 4 4 ASN CA C 15 56.400 56.946 -0.546 1
1 41 . 9 1 1 A 4 4 ASN CB C 15 38.000 39.226 -1.226 1
1 43 . 9 1 1 A 4 4 ASN N N 15 118.300 118.848 -0.548 1
1 45 . 9 1 1 A 5 5 GLU H H 16 8.080 7.545 0.535 1
1 46 . 9 1 1 A 5 5 GLU HA H 16 3.970 4.021 -0.051 1
1 51 . 9 1 1 A 5 5 GLU C C 16 179.600 179.053 0.547 1
1 52 . 9 1 1 A 5 5 GLU CA C 16 59.200 59.115 0.085 1
1 53 . 9 1 1 A 5 5 GLU CB C 16 29.400 29.328 0.072 1
1 55 . 9 1 1 A 5 5 GLU N N 16 120.400 118.946 1.454 1
1 56 . 9 1 1 A 6 6 GLN H H 17 7.930 7.610 0.320 1
1 57 . 9 1 1 A 6 6 GLN HA H 17 3.560 3.991 -0.431 1
1 64 . 9 1 1 A 6 6 GLN CA C 17 58.600 58.709 -0.109 1
1 65 . 9 1 1 A 6 6 GLN CB C 17 28.100 28.127 -0.027 1
1 68 . 9 1 1 A 6 6 GLN N N 17 117.900 119.288 -1.388 1
1 70 . 9 1 1 A 7 7 LYS H H 18 8.120 7.527 0.593 1
1 71 . 9 1 1 A 7 7 LYS HA H 18 3.350 3.861 -0.511 1
1 80 . 9 1 1 A 7 7 LYS C C 18 179.900 178.992 0.908 1
1 81 . 9 1 1 A 7 7 LYS CA C 18 60.600 59.543 1.057 1
1 82 . 9 1 1 A 7 7 LYS CB C 18 32.000 31.637 0.363 1
1 86 . 9 1 1 A 7 7 LYS N N 18 118.800 120.045 -1.245 1
1 87 . 9 1 1 A 8 8 GLU H H 19 7.740 7.740 0.000 1
1 88 . 9 1 1 A 8 8 GLU HA H 19 4.040 4.112 -0.072 1
1 93 . 9 1 1 A 8 8 GLU C C 19 179.000 179.262 -0.262 1
1 94 . 9 1 1 A 8 8 GLU CA C 19 59.800 59.275 0.525 1
1 95 . 9 1 1 A 8 8 GLU CB C 19 29.100 29.097 0.003 1
1 97 . 9 1 1 A 8 8 GLU N N 19 121.300 120.037 1.263 1
1 98 . 9 1 1 A 9 9 LYS H H 20 7.500 7.570 -0.070 1
1 99 . 9 1 1 A 9 9 LYS HA H 20 3.950 3.683 0.267 1
1 108 . 9 1 1 A 9 9 LYS C C 20 178.100 179.501 -1.401 1
1 109 . 9 1 1 A 9 9 LYS CA C 20 60.500 59.282 1.218 1
1 110 . 9 1 1 A 9 9 LYS CB C 20 32.200 31.963 0.237 1
1 114 . 9 1 1 A 9 9 LYS N N 20 120.100 119.237 0.863 1
1 115 . 9 1 1 A 10 10 VAL H H 21 8.030 7.865 0.165 1
1 116 . 9 1 1 A 10 10 VAL HA H 21 3.410 3.666 -0.256 1
1 124 . 9 1 1 A 10 10 VAL C C 21 177.400 178.081 -0.681 1
1 125 . 9 1 1 A 10 10 VAL CA C 21 66.600 66.156 0.444 1
1 126 . 9 1 1 A 10 10 VAL CB C 21 31.800 31.898 -0.098 1
1 129 . 9 1 1 A 10 10 VAL N N 21 117.300 119.769 -2.469 1
1 130 . 9 1 1 A 11 11 THR H H 22 8.230 8.222 0.008 1
1 131 . 9 1 1 A 11 11 THR HA H 22 3.580 4.033 -0.453 1
1 137 . 9 1 1 A 11 11 THR C C 22 174.700 176.343 -1.643 1
1 138 . 9 1 1 A 11 11 THR CA C 22 68.700 66.982 1.718 1
1 139 . 9 1 1 A 11 11 THR CB C 22 68.500 68.659 -0.159 1
1 141 . 9 1 1 A 11 11 THR N N 22 115.700 117.642 -1.942 1
1 142 . 9 1 1 A 12 12 LEU H H 23 7.780 8.061 -0.281 1
1 143 . 9 1 1 A 12 12 LEU HA H 23 3.930 4.004 -0.074 1
1 153 . 9 1 1 A 12 12 LEU C C 23 178.400 178.413 -0.013 1
1 154 . 9 1 1 A 12 12 LEU CA C 23 58.500 58.219 0.281 1
1 155 . 9 1 1 A 12 12 LEU CB C 23 42.300 41.786 0.514 1
1 159 . 9 1 1 A 12 12 LEU N N 23 121.400 121.406 -0.006 1
1 160 . 9 1 1 A 13 13 TYR H H 24 7.970 8.334 -0.364 1
1 161 . 9 1 1 A 13 13 TYR HA H 24 3.910 4.068 -0.158 1
1 168 . 9 1 1 A 13 13 TYR C C 24 177.400 177.219 0.181 1
1 169 . 9 1 1 A 13 13 TYR CA C 24 61.700 61.531 0.169 1
1 170 . 9 1 1 A 13 13 TYR CB C 24 39.400 38.574 0.826 1
1 175 . 9 1 1 A 13 13 TYR N N 24 119.100 119.559 -0.459 1
1 176 . 9 1 1 A 14 14 LEU H H 25 8.230 8.688 -0.458 1
1 177 . 9 1 1 A 14 14 LEU HA H 25 3.400 3.664 -0.264 1
1 187 . 9 1 1 A 14 14 LEU C C 25 177.200 179.229 -2.029 1
1 188 . 9 1 1 A 14 14 LEU CA C 25 57.600 58.022 -0.422 1
1 189 . 9 1 1 A 14 14 LEU CB C 25 42.200 41.408 0.792 1
1 193 . 9 1 1 A 14 14 LEU N N 25 119.600 119.811 -0.211 1
1 194 . 9 1 1 A 15 15 LYS H H 26 8.010 7.630 0.380 1
1 195 . 9 1 1 A 15 15 LYS HA H 26 3.230 3.756 -0.526 1
1 204 . 9 1 1 A 15 15 LYS C C 26 178.800 179.458 -0.658 1
1 205 . 9 1 1 A 15 15 LYS CA C 26 59.000 58.822 0.178 1
1 206 . 9 1 1 A 15 15 LYS CB C 26 32.600 31.845 0.755 1
1 210 . 9 1 1 A 15 15 LYS N N 26 117.000 117.673 -0.673 1
1 211 . 9 1 1 A 16 16 HIS H H 27 7.890 7.739 0.151 1
1 212 . 9 1 1 A 16 16 HIS HA H 27 4.030 4.233 -0.203 1
1 217 . 9 1 1 A 16 16 HIS C C 27 175.900 176.736 -0.836 1
1 218 . 9 1 1 A 16 16 HIS CA C 27 59.000 59.768 -0.768 1
1 219 . 9 1 1 A 16 16 HIS CB C 27 30.900 30.821 0.079 1
1 222 . 9 1 1 A 16 16 HIS N N 27 113.200 118.708 -5.508 1
1 223 . 9 1 1 A 17 17 ASN H H 28 6.950 7.668 -0.718 1
1 224 . 9 1 1 A 17 17 ASN HA H 28 4.900 4.570 0.330 1
1 229 . 9 1 1 A 17 17 ASN C C 28 172.900 174.308 -1.408 1
1 230 . 9 1 1 A 17 17 ASN CA C 28 54.100 53.660 0.440 1
1 231 . 9 1 1 A 17 17 ASN CB C 28 42.500 38.798 3.702 1
1 233 . 9 1 1 A 17 17 ASN N N 28 112.200 113.698 -1.498 1
1 235 . 9 1 1 A 18 18 ILE H H 29 7.310 7.481 -0.171 1
1 236 . 9 1 1 A 18 18 ILE HA H 29 4.560 4.556 0.004 1
1 246 . 9 1 1 A 18 18 ILE CA C 29 58.000 58.051 -0.051 1
1 247 . 9 1 1 A 18 18 ILE CB C 29 38.000 39.831 -1.831 1
1 251 . 9 1 1 A 18 18 ILE N N 29 119.300 118.589 0.711 1
1 252 . 9 1 1 A 19 19 PRO HA H 30 4.170 4.467 -0.297 1
1 259 . 9 1 1 A 19 19 PRO C C 30 178.000 177.153 0.847 1
1 260 . 9 1 1 A 19 19 PRO CA C 30 65.700 64.499 1.201 1
1 261 . 9 1 1 A 19 19 PRO CB C 30 32.100 31.850 0.250 1
1 264 . 9 1 1 A 20 20 ASP H H 31 8.470 8.390 0.080 1
1 265 . 9 1 1 A 20 20 ASP HA H 31 4.790 4.862 -0.072 1
1 268 . 9 1 1 A 20 20 ASP C C 31 175.600 175.963 -0.363 1
1 269 . 9 1 1 A 20 20 ASP CA C 31 53.800 53.818 -0.018 1
1 270 . 9 1 1 A 20 20 ASP CB C 31 39.600 40.940 -1.340 1
1 271 . 9 1 1 A 20 20 ASP N N 31 113.700 116.435 -2.735 1
1 272 . 9 1 1 A 21 21 PHE H H 32 7.890 7.416 0.474 1
1 273 . 9 1 1 A 21 21 PHE HA H 32 3.810 4.368 -0.558 1
1 281 . 9 1 1 A 21 21 PHE C C 32 174.200 174.979 -0.779 1
1 282 . 9 1 1 A 21 21 PHE CA C 32 61.100 59.845 1.255 1
1 283 . 9 1 1 A 21 21 PHE CB C 32 39.900 39.675 0.225 1
1 289 . 9 1 1 A 21 21 PHE N N 32 122.200 121.758 0.442 1
1 290 . 9 1 1 A 22 22 ASN H H 33 9.380 8.417 0.963 1
1 291 . 9 1 1 A 22 22 ASN HA H 33 4.680 4.917 -0.237 1
1 296 . 9 1 1 A 22 22 ASN C C 33 173.600 174.060 -0.460 1
1 297 . 9 1 1 A 22 22 ASN CA C 33 54.600 54.551 0.049 1
1 298 . 9 1 1 A 22 22 ASN CB C 33 41.700 41.543 0.157 1
1 300 . 9 1 1 A 22 22 ASN N N 33 126.600 125.462 1.138 1
1 302 . 9 1 1 A 23 23 THR H H 34 7.010 7.132 -0.122 1
1 303 . 9 1 1 A 23 23 THR HA H 34 4.280 4.610 -0.330 1
1 308 . 9 1 1 A 23 23 THR C C 34 171.100 171.467 -0.367 1
1 309 . 9 1 1 A 23 23 THR CA C 34 60.300 60.471 -0.171 1
1 310 . 9 1 1 A 23 23 THR CB C 34 71.100 71.046 0.054 1
1 312 . 9 1 1 A 23 23 THR N N 34 109.600 111.210 -1.610 1
1 313 . 9 1 1 A 24 24 VAL H H 35 8.290 8.820 -0.530 1
1 314 . 9 1 1 A 24 24 VAL HA H 35 4.850 4.726 0.124 1
1 322 . 9 1 1 A 24 24 VAL C C 35 171.400 173.390 -1.990 1
1 323 . 9 1 1 A 24 24 VAL CA C 35 59.300 60.025 -0.725 1
1 324 . 9 1 1 A 24 24 VAL CB C 35 35.500 35.667 -0.167 1
1 327 . 9 1 1 A 24 24 VAL N N 35 119.500 123.355 -3.855 1
1 328 . 9 1 1 A 25 25 THR H H 36 8.200 8.536 -0.336 1
1 329 . 9 1 1 A 25 25 THR HA H 36 4.150 4.768 -0.618 1
1 334 . 9 1 1 A 25 25 THR C C 36 171.900 173.105 -1.205 1
1 335 . 9 1 1 A 25 25 THR CA C 36 61.100 60.452 0.648 1
1 336 . 9 1 1 A 25 25 THR CB C 36 70.900 70.669 0.231 1
1 338 . 9 1 1 A 25 25 THR N N 36 125.200 123.182 2.018 1
1 339 . 9 1 1 A 26 26 PHE H H 37 8.900 8.799 0.101 1
1 340 . 9 1 1 A 26 26 PHE HA H 37 5.140 4.878 0.262 1
1 348 . 9 1 1 A 26 26 PHE C C 37 176.900 175.837 1.063 1
1 349 . 9 1 1 A 26 26 PHE CA C 37 58.100 56.873 1.227 1
1 350 . 9 1 1 A 26 26 PHE CB C 37 39.900 40.234 -0.334 1
1 356 . 9 1 1 A 26 26 PHE N N 37 124.500 125.880 -1.380 1
1 357 . 9 1 1 A 27 27 THR H H 38 9.090 8.477 0.613 1
1 358 . 9 1 1 A 27 27 THR HA H 38 4.430 4.561 -0.131 1
1 363 . 9 1 1 A 27 27 THR C C 38 174.800 174.624 0.176 1
1 364 . 9 1 1 A 27 27 THR CA C 38 61.600 62.215 -0.615 1
1 365 . 9 1 1 A 27 27 THR CB C 38 69.400 69.931 -0.531 1
1 367 . 9 1 1 A 27 27 THR N N 38 114.000 114.387 -0.387 1
1 368 . 9 1 1 A 28 28 ASN H H 39 7.880 7.542 0.338 1
1 369 . 9 1 1 A 28 28 ASN HA H 39 4.780 5.393 -0.613 1
1 374 . 9 1 1 A 28 28 ASN C C 39 173.700 174.517 -0.817 1
1 375 . 9 1 1 A 28 28 ASN CA C 39 54.100 52.249 1.851 1
1 376 . 9 1 1 A 28 28 ASN CB C 39 40.800 41.527 -0.727 1
1 378 . 9 1 1 A 28 28 ASN N N 39 118.900 118.559 0.341 1
1 380 . 9 1 1 A 29 29 GLU H H 40 8.150 8.676 -0.526 1
1 381 . 9 1 1 A 29 29 GLU HA H 40 4.560 4.641 -0.081 1
1 386 . 9 1 1 A 29 29 GLU C C 40 174.800 174.084 0.716 1
1 387 . 9 1 1 A 29 29 GLU CA C 40 55.600 56.247 -0.647 1
1 388 . 9 1 1 A 29 29 GLU CB C 40 30.500 29.937 0.563 1
1 390 . 9 1 1 A 29 29 GLU N N 40 121.700 122.983 -1.283 1
1 391 . 9 1 1 A 30 30 GLU H H 41 8.410 8.828 -0.418 1
1 392 . 9 1 1 A 30 30 GLU HA H 41 4.410 4.649 -0.239 1
1 397 . 9 1 1 A 30 30 GLU C C 41 175.100 174.298 0.802 1
1 398 . 9 1 1 A 30 30 GLU CA C 41 55.400 55.156 0.244 1
1 399 . 9 1 1 A 30 30 GLU CB C 41 32.200 30.545 1.655 1
1 401 . 9 1 1 A 30 30 GLU N N 41 120.500 121.480 -0.980 1
1 402 . 9 1 1 A 31 31 PHE H H 42 8.570 8.519 0.051 1
1 403 . 9 1 1 A 31 31 PHE HA H 42 4.820 5.459 -0.639 1
1 411 . 9 1 1 A 31 31 PHE C C 42 174.800 175.346 -0.546 1
1 412 . 9 1 1 A 31 31 PHE CA C 42 57.800 55.468 2.332 1
1 413 . 9 1 1 A 31 31 PHE CB C 42 40.200 40.811 -0.611 1
1 419 . 9 1 1 A 31 31 PHE N N 42 120.700 116.250 4.450 1
1 420 . 9 1 1 A 32 32 ASN H H 43 8.350 9.644 -1.294 1
1 421 . 9 1 1 A 32 32 ASN HA H 43 4.950 5.038 -0.088 1
1 426 . 9 1 1 A 32 32 ASN CA C 43 51.600 51.070 0.530 1
1 427 . 9 1 1 A 32 32 ASN CB C 43 39.300 38.752 0.548 1
1 429 . 9 1 1 A 32 32 ASN N N 43 122.000 121.144 0.856 1
1 431 . 9 1 1 A 33 33 PRO HA H 44 4.260 4.428 -0.168 1
1 438 . 9 1 1 A 33 33 PRO C C 44 177.400 178.197 -0.797 1
1 439 . 9 1 1 A 33 33 PRO CA C 44 65.300 65.767 -0.467 1
1 440 . 9 1 1 A 33 33 PRO CB C 44 32.200 31.689 0.511 1
1 443 . 9 1 1 A 34 34 ILE H H 45 7.840 8.090 -0.250 1
1 444 . 9 1 1 A 34 34 ILE HA H 45 4.240 4.155 0.085 1
1 454 . 9 1 1 A 34 34 ILE C C 45 176.400 176.120 0.280 1
1 455 . 9 1 1 A 34 34 ILE CA C 45 61.000 61.456 -0.456 1
1 456 . 9 1 1 A 34 34 ILE CB C 45 38.600 38.445 0.155 1
1 460 . 9 1 1 A 34 34 ILE N N 45 113.700 115.612 -1.912 1
1 461 . 9 1 1 A 35 35 GLY H H 46 7.860 8.000 -0.140 1
1 462 . 9 1 1 A 35 35 GLY HA2 H 46 3.870 4.160 -0.290 1
1 463 . 9 1 1 A 35 35 GLY HA3 H 46 4.130 4.186 -0.056 1
1 464 . 9 1 1 A 35 35 GLY C C 46 172.700 172.468 0.232 1
1 465 . 9 1 1 A 35 35 GLY CA C 46 45.900 45.200 0.700 1
1 466 . 9 1 1 A 35 35 GLY N N 46 111.900 108.536 3.364 1
1 467 . 9 1 1 A 36 36 ILE H H 47 8.180 8.460 -0.280 1
1 468 . 9 1 1 A 36 36 ILE HA H 47 4.720 5.301 -0.581 1
1 478 . 9 1 1 A 36 36 ILE C C 47 174.900 174.377 0.523 1
1 479 . 9 1 1 A 36 36 ILE CA C 47 60.500 59.069 1.431 1
1 480 . 9 1 1 A 36 36 ILE CB C 47 40.800 41.361 -0.561 1
1 484 . 9 1 1 A 36 36 ILE N N 47 118.300 122.678 -4.378 1
1 485 . 9 1 1 A 37 37 SER H H 48 8.430 8.872 -0.442 1
1 486 . 9 1 1 A 37 37 SER HA H 48 4.990 5.470 -0.480 1
1 489 . 9 1 1 A 37 37 SER C C 48 172.900 173.326 -0.426 1
1 490 . 9 1 1 A 37 37 SER CA C 48 57.800 57.090 0.710 1
1 491 . 9 1 1 A 37 37 SER CB C 48 65.600 66.160 -0.560 1
1 492 . 9 1 1 A 37 37 SER N N 48 116.700 120.306 -3.606 1
1 493 . 9 1 1 A 38 38 ILE H H 49 9.150 9.100 0.050 1
1 494 . 9 1 1 A 38 38 ILE HA H 49 4.720 4.998 -0.278 1
1 504 . 9 1 1 A 38 38 ILE C C 49 173.900 174.183 -0.283 1
1 505 . 9 1 1 A 38 38 ILE CA C 49 60.600 59.999 0.601 1
1 506 . 9 1 1 A 38 38 ILE CB C 49 41.000 41.014 -0.014 1
1 510 . 9 1 1 A 38 38 ILE N N 49 124.300 123.625 0.675 1
1 511 . 9 1 1 A 39 39 ASP H H 50 8.700 9.143 -0.443 1
1 512 . 9 1 1 A 39 39 ASP HA H 50 5.540 5.604 -0.064 1
1 515 . 9 1 1 A 39 39 ASP C C 50 176.200 174.862 1.338 1
1 516 . 9 1 1 A 39 39 ASP CA C 50 52.300 52.314 -0.014 1
1 517 . 9 1 1 A 39 39 ASP CB C 50 44.300 44.759 -0.459 1
1 518 . 9 1 1 A 39 39 ASP N N 50 126.600 128.243 -1.643 1
1 519 . 9 1 1 A 40 40 GLY H H 51 7.100 7.356 -0.256 1
1 520 . 9 1 1 A 40 40 GLY HA2 H 51 3.780 3.897 -0.117 1
1 521 . 9 1 1 A 40 40 GLY HA3 H 51 4.070 4.088 -0.018 1
1 522 . 9 1 1 A 40 40 GLY C C 51 170.100 171.337 -1.237 1
1 523 . 9 1 1 A 40 40 GLY CA C 51 47.200 45.863 1.337 1
1 524 . 9 1 1 A 40 40 GLY N N 51 106.400 109.530 -3.130 1
1 525 . 9 1 1 A 41 41 TYR H H 52 8.390 8.220 0.170 1
1 526 . 9 1 1 A 41 41 TYR HA H 52 5.530 6.062 -0.532 1
1 533 . 9 1 1 A 41 41 TYR C C 52 175.200 173.202 1.998 1
1 534 . 9 1 1 A 41 41 TYR CA C 52 56.000 56.008 -0.008 1
1 535 . 9 1 1 A 41 41 TYR CB C 52 39.200 42.124 -2.924 1
1 540 . 9 1 1 A 41 41 TYR N N 52 113.900 115.643 -1.743 1
1 541 . 9 1 1 A 42 42 ILE H H 53 8.420 8.419 0.001 1
1 542 . 9 1 1 A 42 42 ILE HA H 53 5.450 4.792 0.658 1
1 552 . 9 1 1 A 42 42 ILE C C 53 174.500 175.073 -0.573 1
1 553 . 9 1 1 A 42 42 ILE CA C 53 59.300 59.407 -0.107 1
1 554 . 9 1 1 A 42 42 ILE CB C 53 40.700 41.123 -0.423 1
1 558 . 9 1 1 A 42 42 ILE N N 53 113.200 116.631 -3.431 1
1 559 . 9 1 1 A 43 43 ASN H H 54 8.760 9.211 -0.451 1
1 560 . 9 1 1 A 43 43 ASN HA H 54 4.120 4.366 -0.246 1
1 565 . 9 1 1 A 43 43 ASN C C 54 173.900 174.495 -0.595 1
1 566 . 9 1 1 A 43 43 ASN CA C 54 53.300 54.572 -1.272 1
1 567 . 9 1 1 A 43 43 ASN CB C 54 35.500 36.981 -1.481 1
1 569 . 9 1 1 A 43 43 ASN N N 54 116.700 118.834 -2.134 1
1 571 . 9 1 1 A 44 44 ASN H H 55 9.270 8.597 0.673 1
1 572 . 9 1 1 A 44 44 ASN HA H 55 4.260 4.423 -0.163 1
1 577 . 9 1 1 A 44 44 ASN C C 55 173.600 173.618 -0.018 1
1 578 . 9 1 1 A 44 44 ASN CA C 55 54.800 54.759 0.041 1
1 579 . 9 1 1 A 44 44 ASN CB C 55 38.100 37.254 0.846 1
1 581 . 9 1 1 A 44 44 ASN N N 55 110.300 108.660 1.640 1
1 583 . 9 1 1 A 45 45 ASP H H 56 8.100 8.080 0.020 1
1 584 . 9 1 1 A 45 45 ASP HA H 56 4.760 4.808 -0.048 1
1 587 . 9 1 1 A 45 45 ASP C C 56 175.900 176.161 -0.261 1
1 588 . 9 1 1 A 45 45 ASP CA C 56 52.600 53.063 -0.463 1
1 589 . 9 1 1 A 45 45 ASP CB C 56 42.000 42.041 -0.041 1
1 590 . 9 1 1 A 45 45 ASP N N 56 119.500 118.379 1.121 1
1 591 . 9 1 1 A 46 46 LYS H H 57 8.260 8.642 -0.382 1
1 592 . 9 1 1 A 46 46 LYS HA H 57 2.760 3.562 -0.802 1
1 601 . 9 1 1 A 46 46 LYS C C 57 177.100 178.432 -1.332 1
1 602 . 9 1 1 A 46 46 LYS CA C 57 58.400 59.334 -0.934 1
1 603 . 9 1 1 A 46 46 LYS CB C 57 31.700 31.975 -0.275 1
1 607 . 9 1 1 A 46 46 LYS N N 57 124.100 125.663 -1.563 1
1 608 . 9 1 1 A 47 47 ASN H H 58 8.610 8.028 0.582 1
1 609 . 9 1 1 A 47 47 ASN HA H 58 4.620 4.517 0.103 1
1 614 . 9 1 1 A 47 47 ASN C C 58 177.000 176.779 0.221 1
1 615 . 9 1 1 A 47 47 ASN CA C 58 54.400 56.282 -1.882 1
1 616 . 9 1 1 A 47 47 ASN CB C 58 38.500 38.470 0.030 1
1 618 . 9 1 1 A 47 47 ASN N N 58 114.800 117.212 -2.412 1
1 620 . 9 1 1 A 48 48 LEU H H 59 8.470 7.502 0.968 1
1 621 . 9 1 1 A 48 48 LEU HA H 59 4.470 4.520 -0.050 1
1 631 . 9 1 1 A 48 48 LEU C C 59 175.300 175.511 -0.211 1
1 632 . 9 1 1 A 48 48 LEU CA C 59 52.800 54.255 -1.455 1
1 633 . 9 1 1 A 48 48 LEU CB C 59 39.100 40.102 -1.002 1
1 637 . 9 1 1 A 48 48 LEU N N 59 125.800 120.426 5.374 1
1 638 . 9 1 1 A 49 49 SER H H 60 7.270 8.788 -1.518 1
1 639 . 9 1 1 A 49 49 SER HA H 60 5.230 5.707 -0.477 1
1 642 . 9 1 1 A 49 49 SER C C 60 173.200 173.297 -0.097 1
1 643 . 9 1 1 A 49 49 SER CA C 60 56.900 56.462 0.438 1
1 644 . 9 1 1 A 49 49 SER CB C 60 66.500 65.937 0.563 1
1 645 . 9 1 1 A 49 49 SER N N 60 112.400 120.092 -7.692 1
1 646 . 9 1 1 A 50 50 PHE H H 61 8.260 8.631 -0.371 1
1 647 . 9 1 1 A 50 50 PHE HA H 61 5.490 5.431 0.059 1
1 655 . 9 1 1 A 50 50 PHE C C 61 174.500 172.908 1.592 1
1 656 . 9 1 1 A 50 50 PHE CA C 61 56.300 55.832 0.468 1
1 657 . 9 1 1 A 50 50 PHE CB C 61 44.600 42.650 1.950 1
1 663 . 9 1 1 A 50 50 PHE N N 61 114.200 119.400 -5.200 1
1 664 . 9 1 1 A 51 51 THR H H 62 8.520 8.605 -0.085 1
1 665 . 9 1 1 A 51 51 THR HA H 62 5.140 5.281 -0.141 1
1 670 . 9 1 1 A 51 51 THR C C 62 172.600 173.462 -0.862 1
1 671 . 9 1 1 A 51 51 THR CA C 62 62.000 60.966 1.034 1
1 672 . 9 1 1 A 51 51 THR CB C 62 72.000 72.223 -0.223 1
1 674 . 9 1 1 A 51 51 THR N N 62 116.000 114.926 1.074 1
1 675 . 9 1 1 A 52 52 ALA H H 63 9.870 9.239 0.631 1
1 676 . 9 1 1 A 52 52 ALA HA H 63 5.180 5.647 -0.467 1
1 680 . 9 1 1 A 52 52 ALA C C 63 176.300 175.849 0.451 1
1 681 . 9 1 1 A 52 52 ALA CA C 63 50.300 50.541 -0.241 1
1 682 . 9 1 1 A 52 52 ALA CB C 63 24.000 22.397 1.603 1
1 683 . 9 1 1 A 52 52 ALA N N 63 130.400 127.355 3.045 1
1 684 . 9 1 1 A 53 53 GLY H H 64 8.340 9.388 -1.048 1
1 685 . 9 1 1 A 53 53 GLY HA2 H 64 3.630 4.264 -0.634 1
1 686 . 9 1 1 A 53 53 GLY HA3 H 64 4.830 4.274 0.556 1
1 687 . 9 1 1 A 53 53 GLY C C 64 173.200 174.105 -0.905 1
1 688 . 9 1 1 A 53 53 GLY CA C 64 43.200 43.736 -0.536 1
1 689 . 9 1 1 A 53 53 GLY N N 64 107.100 111.186 -4.086 1
1 690 . 9 1 1 A 54 54 LYS H H 65 8.430 8.613 -0.183 1
1 691 . 9 1 1 A 54 54 LYS HA H 65 3.750 3.942 -0.192 1
1 700 . 9 1 1 A 54 54 LYS CA C 65 58.300 58.173 0.127 1
1 701 . 9 1 1 A 54 54 LYS CB C 65 32.600 30.796 1.804 1
1 705 . 9 1 1 A 54 54 LYS N N 65 119.300 119.487 -0.187 1
1 708 . 9 1 1 A 55 55 ASP C C 66 172.900 176.042 -3.142 1
1 709 . 9 1 1 A 56 56 VAL H H 67 8.510 9.061 -0.551 1
1 710 . 9 1 1 A 56 56 VAL HA H 67 3.100 3.715 -0.615 1
1 718 . 9 1 1 A 56 56 VAL C C 67 176.400 175.890 0.510 1
1 719 . 9 1 1 A 56 56 VAL CA C 67 62.800 63.340 -0.540 1
1 720 . 9 1 1 A 56 56 VAL CB C 67 30.400 29.341 1.059 1
1 723 . 9 1 1 A 56 56 VAL N N 67 112.700 120.305 -7.605 1
1 724 . 9 1 1 A 57 57 LYS H H 68 7.580 7.454 0.126 1
1 725 . 9 1 1 A 57 57 LYS HA H 68 4.000 4.001 -0.001 1
1 734 . 9 1 1 A 57 57 LYS C C 68 176.700 176.028 0.672 1
1 735 . 9 1 1 A 57 57 LYS CA C 68 58.400 58.957 -0.557 1
1 736 . 9 1 1 A 57 57 LYS CB C 68 32.100 32.941 -0.841 1
1 740 . 9 1 1 A 57 57 LYS N N 68 118.700 121.803 -3.103 1
1 741 . 9 1 1 A 58 58 ILE H H 69 7.160 7.710 -0.550 1
1 742 . 9 1 1 A 58 58 ILE HA H 69 4.270 4.646 -0.376 1
1 752 . 9 1 1 A 58 58 ILE C C 69 174.300 174.505 -0.205 1
1 753 . 9 1 1 A 58 58 ILE CA C 69 59.900 60.454 -0.554 1
1 754 . 9 1 1 A 58 58 ILE CB C 69 41.000 40.591 0.409 1
1 758 . 9 1 1 A 58 58 ILE N N 69 115.700 118.624 -2.924 1
1 759 . 9 1 1 A 59 59 PHE H H 70 8.560 8.949 -0.389 1
1 760 . 9 1 1 A 59 59 PHE HA H 70 4.890 5.513 -0.623 1
1 765 . 9 1 1 A 59 59 PHE C C 70 173.500 173.356 0.144 1
1 766 . 9 1 1 A 59 59 PHE CA C 70 58.700 56.317 2.383 1
1 767 . 9 1 1 A 59 59 PHE CB C 70 42.400 42.586 -0.186 1
1 770 . 9 1 1 A 59 59 PHE N N 70 127.500 128.790 -1.290 1
1 771 . 9 1 1 A 60 60 SER H H 71 8.430 8.206 0.224 1
1 772 . 9 1 1 A 60 60 SER HA H 71 4.850 5.358 -0.508 1
1 775 . 9 1 1 A 60 60 SER C C 71 172.100 172.667 -0.567 1
1 776 . 9 1 1 A 60 60 SER CA C 71 56.900 56.804 0.096 1
1 777 . 9 1 1 A 60 60 SER CB C 71 65.000 65.738 -0.738 1
1 778 . 9 1 1 A 60 60 SER N N 71 124.200 123.432 0.768 1
1 779 . 9 1 1 A 61 61 SER H H 72 8.630 8.616 0.014 1
1 780 . 9 1 1 A 61 61 SER HA H 72 5.380 4.983 0.397 1
1 783 . 9 1 1 A 61 61 SER C C 72 174.700 173.329 1.371 1
1 784 . 9 1 1 A 61 61 SER CA C 72 57.400 56.659 0.741 1
1 785 . 9 1 1 A 61 61 SER CB C 72 68.200 66.001 2.199 1
1 786 . 9 1 1 A 61 61 SER N N 72 116.900 117.288 -0.388 1
1 787 . 9 1 1 A 62 62 SER H H 73 8.810 8.458 0.352 1
1 788 . 9 1 1 A 62 62 SER HA H 73 4.570 4.686 -0.116 1
1 792 . 9 1 1 A 62 62 SER C C 73 175.000 175.279 -0.279 1
1 793 . 9 1 1 A 62 62 SER CA C 73 57.600 57.358 0.242 1
1 794 . 9 1 1 A 62 62 SER CB C 73 65.400 65.109 0.291 1
1 795 . 9 1 1 A 62 62 SER N N 73 117.000 116.447 0.553 1
1 796 . 9 1 1 A 63 63 GLU H H 74 9.240 8.987 0.253 1
1 797 . 9 1 1 A 63 63 GLU HA H 74 4.140 3.999 0.141 1
1 802 . 9 1 1 A 63 63 GLU C C 74 179.000 178.404 0.596 1
1 803 . 9 1 1 A 63 63 GLU CA C 74 60.100 59.687 0.413 1
1 804 . 9 1 1 A 63 63 GLU CB C 74 29.600 29.375 0.225 1
1 806 . 9 1 1 A 63 63 GLU N N 74 123.600 122.383 1.217 1
1 807 . 9 1 1 A 64 64 GLU H H 75 8.970 8.032 0.938 1
1 808 . 9 1 1 A 64 64 GLU HA H 75 3.950 4.088 -0.138 1
1 813 . 9 1 1 A 64 64 GLU C C 75 179.000 179.159 -0.159 1
1 814 . 9 1 1 A 64 64 GLU CA C 75 60.100 59.101 0.999 1
1 815 . 9 1 1 A 64 64 GLU CB C 75 29.500 29.565 -0.065 1
1 817 . 9 1 1 A 64 64 GLU N N 75 117.000 119.868 -2.868 1
1 818 . 9 1 1 A 65 65 LEU H H 76 7.740 7.495 0.245 1
1 819 . 9 1 1 A 65 65 LEU HA H 76 4.330 4.236 0.094 1
1 829 . 9 1 1 A 65 65 LEU C C 76 178.900 178.189 0.711 1
1 830 . 9 1 1 A 65 65 LEU CA C 76 57.500 57.056 0.444 1
1 831 . 9 1 1 A 65 65 LEU CB C 76 41.800 41.896 -0.096 1
1 835 . 9 1 1 A 65 65 LEU N N 76 119.900 121.403 -1.503 1
1 836 . 9 1 1 A 66 66 ASP H H 77 8.620 8.881 -0.261 1
1 837 . 9 1 1 A 66 66 ASP HA H 77 4.580 4.661 -0.081 1
1 840 . 9 1 1 A 66 66 ASP C C 77 178.800 178.439 0.361 1
1 841 . 9 1 1 A 66 66 ASP CA C 77 58.300 58.396 -0.096 1
1 842 . 9 1 1 A 66 66 ASP CB C 77 42.100 41.479 0.621 1
1 843 . 9 1 1 A 66 66 ASP N N 77 120.300 119.537 0.763 1
1 844 . 9 1 1 A 67 67 LYS H H 78 7.210 7.943 -0.733 1
1 845 . 9 1 1 A 67 67 LYS HA H 78 4.240 4.130 0.110 1
1 854 . 9 1 1 A 67 67 LYS C C 78 177.400 178.812 -1.412 1
1 855 . 9 1 1 A 67 67 LYS CA C 78 58.000 58.890 -0.890 1
1 856 . 9 1 1 A 67 67 LYS CB C 78 33.000 31.505 1.495 1
1 860 . 9 1 1 A 67 67 LYS N N 78 113.200 118.172 -4.972 1
1 861 . 9 1 1 A 68 68 MET H H 79 8.210 8.164 0.046 1
1 862 . 9 1 1 A 68 68 MET HA H 79 4.270 4.368 -0.098 1
1 870 . 9 1 1 A 68 68 MET C C 79 176.800 176.925 -0.125 1
1 871 . 9 1 1 A 68 68 MET CA C 79 56.800 58.496 -1.696 1
1 872 . 9 1 1 A 68 68 MET CB C 79 33.900 34.108 -0.208 1
1 875 . 9 1 1 A 68 68 MET N N 79 116.400 117.954 -1.554 1
1 876 . 9 1 1 A 69 69 PHE H H 80 7.330 7.951 -0.621 1
1 877 . 9 1 1 A 69 69 PHE HA H 80 4.300 4.504 -0.204 1
1 882 . 9 1 1 A 69 69 PHE C C 80 176.900 175.300 1.600 1
1 883 . 9 1 1 A 69 69 PHE CA C 80 59.300 57.655 1.645 1
1 884 . 9 1 1 A 69 69 PHE CB C 80 40.600 39.738 0.862 1
1 887 . 9 1 1 A 69 69 PHE N N 80 118.100 117.173 0.927 1
1 888 . 9 1 1 A 70 70 GLN H H 81 8.540 8.613 -0.073 1
1 889 . 9 1 1 A 70 70 GLN HA H 81 4.450 4.178 0.272 1
1 896 . 9 1 1 A 70 70 GLN C C 81 174.200 174.465 -0.265 1
1 897 . 9 1 1 A 70 70 GLN CA C 81 55.000 54.410 0.590 1
1 898 . 9 1 1 A 70 70 GLN CB C 81 29.400 29.587 -0.187 1
1 901 . 9 1 1 A 70 70 GLN N N 81 121.600 121.598 0.002 1
1 903 . 9 1 1 A 71 71 GLU H H 82 8.340 7.609 0.731 1
1 904 . 9 1 1 A 71 71 GLU HA H 82 4.780 4.787 -0.007 1
1 909 . 9 1 1 A 71 71 GLU CA C 82 53.100 52.926 0.174 1
1 910 . 9 1 1 A 71 71 GLU CB C 82 30.600 30.876 -0.276 1
1 912 . 9 1 1 A 71 71 GLU N N 82 122.900 121.211 1.689 1
1 913 . 9 1 1 A 72 72 PRO HA H 83 4.880 4.566 0.314 1
1 920 . 9 1 1 A 72 72 PRO C C 83 176.200 176.609 -0.409 1
1 921 . 9 1 1 A 72 72 PRO CA C 83 62.100 62.567 -0.467 1
1 922 . 9 1 1 A 72 72 PRO CB C 83 33.800 31.905 1.895 1
1 925 . 9 1 1 A 73 73 ARG H H 84 8.580 8.549 0.031 1
1 926 . 9 1 1 A 73 73 ARG HA H 84 4.390 4.733 -0.343 1
1 934 . 9 1 1 A 73 73 ARG C C 84 176.000 176.460 -0.460 1
1 935 . 9 1 1 A 73 73 ARG CA C 84 56.000 56.475 -0.475 1
1 936 . 9 1 1 A 73 73 ARG CB C 84 31.100 30.881 0.219 1
1 940 . 9 1 1 A 73 73 ARG N N 84 123.400 123.009 0.391 1
1 942 . 9 1 1 A 74 74 LYS H H 85 9.080 8.961 0.119 1
1 943 . 9 1 1 A 74 74 LYS HA H 85 4.540 5.053 -0.513 1
1 952 . 9 1 1 A 74 74 LYS C C 85 176.500 175.369 1.131 1
1 953 . 9 1 1 A 74 74 LYS CA C 85 55.000 55.022 -0.022 1
1 954 . 9 1 1 A 74 74 LYS CB C 85 34.900 36.324 -1.424 1
1 958 . 9 1 1 A 74 74 LYS N N 85 123.300 121.538 1.762 1
1 959 . 9 1 1 A 75 75 GLY H H 86 8.870 8.739 0.131 1
1 960 . 9 1 1 A 75 75 GLY HA2 H 86 3.930 4.046 -0.116 1
1 961 . 9 1 1 A 75 75 GLY HA3 H 86 4.350 4.102 0.248 1
1 962 . 9 1 1 A 75 75 GLY C C 86 174.000 174.917 -0.917 1
1 963 . 9 1 1 A 75 75 GLY CA C 86 44.600 44.709 -0.109 1
1 964 . 9 1 1 A 75 75 GLY N N 86 108.700 107.896 0.804 1
1 965 . 9 1 1 A 76 76 TYR H H 87 8.880 9.103 -0.223 1
1 966 . 9 1 1 A 76 76 TYR HA H 87 3.930 4.069 -0.139 1
1 973 . 9 1 1 A 76 76 TYR C C 87 175.800 177.476 -1.676 1
1 974 . 9 1 1 A 76 76 TYR CA C 87 62.900 61.324 1.576 1
1 975 . 9 1 1 A 76 76 TYR CB C 87 38.700 38.794 -0.094 1
1 980 . 9 1 1 A 76 76 TYR N N 87 120.400 120.638 -0.238 1
1 981 . 9 1 1 A 77 77 ASP H H 88 8.450 8.699 -0.249 1
1 982 . 9 1 1 A 77 77 ASP HA H 88 4.000 4.315 -0.315 1
1 985 . 9 1 1 A 77 77 ASP C C 88 178.200 178.472 -0.272 1
1 986 . 9 1 1 A 77 77 ASP CA C 88 57.000 56.842 0.158 1
1 987 . 9 1 1 A 77 77 ASP CB C 88 39.600 39.798 -0.198 1
1 988 . 9 1 1 A 77 77 ASP N N 88 115.800 118.796 -2.996 1
1 989 . 9 1 1 A 78 78 GLU H H 89 7.520 8.260 -0.740 1
1 990 . 9 1 1 A 78 78 GLU HA H 89 4.020 4.003 0.017 1
1 995 . 9 1 1 A 78 78 GLU C C 89 178.500 178.799 -0.299 1
1 996 . 9 1 1 A 78 78 GLU CA C 89 58.500 58.955 -0.455 1
1 997 . 9 1 1 A 78 78 GLU CB C 89 30.100 29.457 0.643 1
1 999 . 9 1 1 A 78 78 GLU N N 89 119.600 119.442 0.158 1
1 1000 . 9 1 1 A 79 79 ILE H H 90 7.850 7.759 0.091 1
1 1001 . 9 1 1 A 79 79 ILE HA H 90 3.300 3.816 -0.516 1
1 1011 . 9 1 1 A 79 79 ILE C C 90 177.700 177.292 0.408 1
1 1012 . 9 1 1 A 79 79 ILE CA C 90 64.600 62.596 2.004 1
1 1013 . 9 1 1 A 79 79 ILE CB C 90 37.700 37.476 0.224 1
1 1017 . 9 1 1 A 79 79 ILE N N 90 121.700 120.001 1.699 1
1 1018 . 9 1 1 A 80 80 LEU H H 91 7.710 7.673 0.037 1
1 1019 . 9 1 1 A 80 80 LEU HA H 91 3.780 3.777 0.003 1
1 1029 . 9 1 1 A 80 80 LEU C C 91 178.600 178.165 0.435 1
1 1030 . 9 1 1 A 80 80 LEU CA C 91 56.900 58.336 -1.436 1
1 1031 . 9 1 1 A 80 80 LEU CB C 91 41.600 41.610 -0.010 1
1 1035 . 9 1 1 A 80 80 LEU N N 91 120.500 122.524 -2.024 1
1 1036 . 9 1 1 A 81 81 GLU H H 92 7.620 7.720 -0.100 1
1 1037 . 9 1 1 A 81 81 GLU HA H 92 3.960 4.173 -0.213 1
1 1042 . 9 1 1 A 81 81 GLU C C 92 177.400 176.690 0.710 1
1 1043 . 9 1 1 A 81 81 GLU CA C 92 58.300 58.240 0.060 1
1 1044 . 9 1 1 A 81 81 GLU CB C 92 29.700 30.487 -0.787 1
1 1046 . 9 1 1 A 81 81 GLU N N 92 118.100 116.330 1.770 1
1 1047 . 9 1 1 A 82 82 HIS H H 93 7.840 8.326 -0.486 1
1 1048 . 9 1 1 A 82 82 HIS HA H 93 4.440 3.994 0.446 1
1 1051 . 9 1 1 A 82 82 HIS C C 93 175.600 174.928 0.672 1
1 1052 . 9 1 1 A 82 82 HIS CA C 93 57.000 56.380 0.620 1
1 1053 . 9 1 1 A 82 82 HIS CB C 93 29.800 27.652 2.148 1
1 1054 . 9 1 1 A 82 82 HIS N N 93 116.900 118.587 -1.687 1
1 1055 . 9 1 1 A 83 83 HIS H H 94 8.080 8.161 -0.081 1
1 1056 . 9 1 1 A 83 83 HIS HA H 94 4.480 4.190 0.290 1
1 1059 . 9 1 1 A 83 83 HIS CA C 94 56.700 58.837 -2.137 1
1 1060 . 9 1 1 A 83 83 HIS CB C 94 29.900 29.757 0.143 1
1 1 . 10 1 1 A 2 2 PHE HA H 13 4.400 4.115 0.285 1
1 9 . 10 1 1 A 2 2 PHE C C 13 176.400 177.792 -1.392 1
1 10 . 10 1 1 A 2 2 PHE CA C 13 60.700 60.962 -0.262 1
1 11 . 10 1 1 A 2 2 PHE CB C 13 39.700 38.434 1.266 1
1 17 . 10 1 1 A 3 3 PHE H H 14 9.000 8.082 0.918 1
1 18 . 10 1 1 A 3 3 PHE HA H 14 4.000 4.159 -0.159 1
1 25 . 10 1 1 A 3 3 PHE C C 14 177.400 177.891 -0.491 1
1 26 . 10 1 1 A 3 3 PHE CA C 14 61.400 62.294 -0.894 1
1 27 . 10 1 1 A 3 3 PHE CB C 14 38.400 38.114 0.286 1
1 32 . 10 1 1 A 3 3 PHE N N 14 118.700 118.203 0.497 1
1 33 . 10 1 1 A 4 4 ASN H H 15 8.000 8.274 -0.274 1
1 34 . 10 1 1 A 4 4 ASN HA H 15 4.250 4.351 -0.101 1
1 39 . 10 1 1 A 4 4 ASN C C 15 177.300 177.503 -0.203 1
1 40 . 10 1 1 A 4 4 ASN CA C 15 56.400 56.965 -0.565 1
1 41 . 10 1 1 A 4 4 ASN CB C 15 38.000 39.271 -1.271 1
1 43 . 10 1 1 A 4 4 ASN N N 15 118.300 118.562 -0.262 1
1 45 . 10 1 1 A 5 5 GLU H H 16 8.080 8.078 0.002 1
1 46 . 10 1 1 A 5 5 GLU HA H 16 3.970 4.041 -0.071 1
1 51 . 10 1 1 A 5 5 GLU C C 16 179.600 179.181 0.419 1
1 52 . 10 1 1 A 5 5 GLU CA C 16 59.200 59.110 0.090 1
1 53 . 10 1 1 A 5 5 GLU CB C 16 29.400 29.359 0.041 1
1 55 . 10 1 1 A 5 5 GLU N N 16 120.400 118.932 1.468 1
1 56 . 10 1 1 A 6 6 GLN H H 17 7.930 7.605 0.325 1
1 57 . 10 1 1 A 6 6 GLN HA H 17 3.560 3.936 -0.376 1
1 64 . 10 1 1 A 6 6 GLN CA C 17 58.600 58.629 -0.029 1
1 65 . 10 1 1 A 6 6 GLN CB C 17 28.100 28.152 -0.052 1
1 68 . 10 1 1 A 6 6 GLN N N 17 117.900 119.364 -1.464 1
1 70 . 10 1 1 A 7 7 LYS H H 18 8.120 7.471 0.649 1
1 71 . 10 1 1 A 7 7 LYS HA H 18 3.350 3.687 -0.337 1
1 80 . 10 1 1 A 7 7 LYS C C 18 179.900 178.901 0.999 1
1 81 . 10 1 1 A 7 7 LYS CA C 18 60.600 59.300 1.300 1
1 82 . 10 1 1 A 7 7 LYS CB C 18 32.000 31.515 0.485 1
1 86 . 10 1 1 A 7 7 LYS N N 18 118.800 120.004 -1.204 1
1 87 . 10 1 1 A 8 8 GLU H H 19 7.740 7.683 0.057 1
1 88 . 10 1 1 A 8 8 GLU HA H 19 4.040 4.068 -0.028 1
1 93 . 10 1 1 A 8 8 GLU C C 19 179.000 179.249 -0.249 1
1 94 . 10 1 1 A 8 8 GLU CA C 19 59.800 59.323 0.477 1
1 95 . 10 1 1 A 8 8 GLU CB C 19 29.100 29.108 -0.008 1
1 97 . 10 1 1 A 8 8 GLU N N 19 121.300 120.009 1.291 1
1 98 . 10 1 1 A 9 9 LYS H H 20 7.500 7.295 0.205 1
1 99 . 10 1 1 A 9 9 LYS HA H 20 3.950 3.896 0.054 1
1 108 . 10 1 1 A 9 9 LYS C C 20 178.100 179.452 -1.352 1
1 109 . 10 1 1 A 9 9 LYS CA C 20 60.500 59.292 1.208 1
1 110 . 10 1 1 A 9 9 LYS CB C 20 32.200 31.840 0.360 1
1 114 . 10 1 1 A 9 9 LYS N N 20 120.100 119.233 0.867 1
1 115 . 10 1 1 A 10 10 VAL H H 21 8.030 7.515 0.515 1
1 116 . 10 1 1 A 10 10 VAL HA H 21 3.410 3.582 -0.172 1
1 124 . 10 1 1 A 10 10 VAL C C 21 177.400 178.074 -0.674 1
1 125 . 10 1 1 A 10 10 VAL CA C 21 66.600 66.150 0.450 1
1 126 . 10 1 1 A 10 10 VAL CB C 21 31.800 31.691 0.109 1
1 129 . 10 1 1 A 10 10 VAL N N 21 117.300 119.720 -2.420 1
1 130 . 10 1 1 A 11 11 THR H H 22 8.230 8.040 0.190 1
1 131 . 10 1 1 A 11 11 THR HA H 22 3.580 3.693 -0.113 1
1 137 . 10 1 1 A 11 11 THR C C 22 174.700 176.177 -1.477 1
1 138 . 10 1 1 A 11 11 THR CA C 22 68.700 66.826 1.874 1
1 139 . 10 1 1 A 11 11 THR CB C 22 68.500 68.259 0.241 1
1 141 . 10 1 1 A 11 11 THR N N 22 115.700 117.405 -1.705 1
1 142 . 10 1 1 A 12 12 LEU H H 23 7.780 8.114 -0.334 1
1 143 . 10 1 1 A 12 12 LEU HA H 23 3.930 3.861 0.069 1
1 153 . 10 1 1 A 12 12 LEU C C 23 178.400 178.310 0.090 1
1 154 . 10 1 1 A 12 12 LEU CA C 23 58.500 58.141 0.359 1
1 155 . 10 1 1 A 12 12 LEU CB C 23 42.300 41.718 0.582 1
1 159 . 10 1 1 A 12 12 LEU N N 23 121.400 121.321 0.079 1
1 160 . 10 1 1 A 13 13 TYR H H 24 7.970 8.364 -0.394 1
1 161 . 10 1 1 A 13 13 TYR HA H 24 3.910 4.256 -0.346 1
1 168 . 10 1 1 A 13 13 TYR C C 24 177.400 177.097 0.303 1
1 169 . 10 1 1 A 13 13 TYR CA C 24 61.700 61.696 0.004 1
1 170 . 10 1 1 A 13 13 TYR CB C 24 39.400 38.652 0.748 1
1 175 . 10 1 1 A 13 13 TYR N N 24 119.100 119.554 -0.454 1
1 176 . 10 1 1 A 14 14 LEU H H 25 8.230 8.194 0.036 1
1 177 . 10 1 1 A 14 14 LEU HA H 25 3.400 3.348 0.052 1
1 187 . 10 1 1 A 14 14 LEU C C 25 177.200 178.963 -1.763 1
1 188 . 10 1 1 A 14 14 LEU CA C 25 57.600 57.717 -0.117 1
1 189 . 10 1 1 A 14 14 LEU CB C 25 42.200 40.991 1.209 1
1 193 . 10 1 1 A 14 14 LEU N N 25 119.600 119.598 0.002 1
1 194 . 10 1 1 A 15 15 LYS H H 26 8.010 7.382 0.628 1
1 195 . 10 1 1 A 15 15 LYS HA H 26 3.230 3.967 -0.737 1
1 204 . 10 1 1 A 15 15 LYS C C 26 178.800 179.404 -0.604 1
1 205 . 10 1 1 A 15 15 LYS CA C 26 59.000 58.601 0.399 1
1 206 . 10 1 1 A 15 15 LYS CB C 26 32.600 31.799 0.801 1
1 210 . 10 1 1 A 15 15 LYS N N 26 117.000 117.798 -0.798 1
1 211 . 10 1 1 A 16 16 HIS H H 27 7.890 7.301 0.589 1
1 212 . 10 1 1 A 16 16 HIS HA H 27 4.030 4.227 -0.197 1
1 217 . 10 1 1 A 16 16 HIS C C 27 175.900 176.340 -0.440 1
1 218 . 10 1 1 A 16 16 HIS CA C 27 59.000 59.862 -0.862 1
1 219 . 10 1 1 A 16 16 HIS CB C 27 30.900 29.781 1.119 1
1 222 . 10 1 1 A 16 16 HIS N N 27 113.200 118.746 -5.546 1
1 223 . 10 1 1 A 17 17 ASN H H 28 6.950 7.203 -0.253 1
1 224 . 10 1 1 A 17 17 ASN HA H 28 4.900 4.563 0.337 1
1 229 . 10 1 1 A 17 17 ASN C C 28 172.900 174.323 -1.423 1
1 230 . 10 1 1 A 17 17 ASN CA C 28 54.100 53.480 0.620 1
1 231 . 10 1 1 A 17 17 ASN CB C 28 42.500 38.776 3.724 1
1 233 . 10 1 1 A 17 17 ASN N N 28 112.200 113.720 -1.520 1
1 235 . 10 1 1 A 18 18 ILE H H 29 7.310 7.613 -0.303 1
1 236 . 10 1 1 A 18 18 ILE HA H 29 4.560 4.457 0.103 1
1 246 . 10 1 1 A 18 18 ILE CA C 29 58.000 57.925 0.075 1
1 247 . 10 1 1 A 18 18 ILE CB C 29 38.000 39.072 -1.072 1
1 251 . 10 1 1 A 18 18 ILE N N 29 119.300 118.552 0.748 1
1 252 . 10 1 1 A 19 19 PRO HA H 30 4.170 4.481 -0.311 1
1 259 . 10 1 1 A 19 19 PRO C C 30 178.000 177.265 0.735 1
1 260 . 10 1 1 A 19 19 PRO CA C 30 65.700 64.474 1.226 1
1 261 . 10 1 1 A 19 19 PRO CB C 30 32.100 31.855 0.245 1
1 264 . 10 1 1 A 20 20 ASP H H 31 8.470 8.146 0.324 1
1 265 . 10 1 1 A 20 20 ASP HA H 31 4.790 4.720 0.070 1
1 268 . 10 1 1 A 20 20 ASP C C 31 175.600 175.933 -0.333 1
1 269 . 10 1 1 A 20 20 ASP CA C 31 53.800 53.984 -0.184 1
1 270 . 10 1 1 A 20 20 ASP CB C 31 39.600 41.313 -1.713 1
1 271 . 10 1 1 A 20 20 ASP N N 31 113.700 117.380 -3.680 1
1 272 . 10 1 1 A 21 21 PHE H H 32 7.890 7.360 0.530 1
1 273 . 10 1 1 A 21 21 PHE HA H 32 3.810 4.348 -0.538 1
1 281 . 10 1 1 A 21 21 PHE C C 32 174.200 175.237 -1.037 1
1 282 . 10 1 1 A 21 21 PHE CA C 32 61.100 59.519 1.581 1
1 283 . 10 1 1 A 21 21 PHE CB C 32 39.900 39.691 0.209 1
1 289 . 10 1 1 A 21 21 PHE N N 32 122.200 123.568 -1.368 1
1 290 . 10 1 1 A 22 22 ASN H H 33 9.380 8.527 0.853 1
1 291 . 10 1 1 A 22 22 ASN HA H 33 4.680 4.541 0.139 1
1 296 . 10 1 1 A 22 22 ASN C C 33 173.600 173.538 0.062 1
1 297 . 10 1 1 A 22 22 ASN CA C 33 54.600 54.291 0.309 1
1 298 . 10 1 1 A 22 22 ASN CB C 33 41.700 40.620 1.080 1
1 300 . 10 1 1 A 22 22 ASN N N 33 126.600 125.106 1.494 1
1 302 . 10 1 1 A 23 23 THR H H 34 7.010 7.131 -0.121 1
1 303 . 10 1 1 A 23 23 THR HA H 34 4.280 4.437 -0.157 1
1 308 . 10 1 1 A 23 23 THR C C 34 171.100 171.623 -0.523 1
1 309 . 10 1 1 A 23 23 THR CA C 34 60.300 60.294 0.006 1
1 310 . 10 1 1 A 23 23 THR CB C 34 71.100 70.942 0.158 1
1 312 . 10 1 1 A 23 23 THR N N 34 109.600 111.012 -1.412 1
1 313 . 10 1 1 A 24 24 VAL H H 35 8.290 9.016 -0.726 1
1 314 . 10 1 1 A 24 24 VAL HA H 35 4.850 5.061 -0.211 1
1 322 . 10 1 1 A 24 24 VAL C C 35 171.400 173.310 -1.910 1
1 323 . 10 1 1 A 24 24 VAL CA C 35 59.300 59.902 -0.602 1
1 324 . 10 1 1 A 24 24 VAL CB C 35 35.500 34.932 0.568 1
1 327 . 10 1 1 A 24 24 VAL N N 35 119.500 123.770 -4.270 1
1 328 . 10 1 1 A 25 25 THR H H 36 8.200 8.791 -0.591 1
1 329 . 10 1 1 A 25 25 THR HA H 36 4.150 4.664 -0.514 1
1 334 . 10 1 1 A 25 25 THR C C 36 171.900 173.401 -1.501 1
1 335 . 10 1 1 A 25 25 THR CA C 36 61.100 60.912 0.188 1
1 336 . 10 1 1 A 25 25 THR CB C 36 70.900 69.797 1.103 1
1 338 . 10 1 1 A 25 25 THR N N 36 125.200 123.244 1.956 1
1 339 . 10 1 1 A 26 26 PHE H H 37 8.900 8.890 0.010 1
1 340 . 10 1 1 A 26 26 PHE HA H 37 5.140 4.947 0.193 1
1 348 . 10 1 1 A 26 26 PHE C C 37 176.900 176.080 0.820 1
1 349 . 10 1 1 A 26 26 PHE CA C 37 58.100 57.263 0.837 1
1 350 . 10 1 1 A 26 26 PHE CB C 37 39.900 40.312 -0.412 1
1 356 . 10 1 1 A 26 26 PHE N N 37 124.500 126.422 -1.922 1
1 357 . 10 1 1 A 27 27 THR H H 38 9.090 8.934 0.156 1
1 358 . 10 1 1 A 27 27 THR HA H 38 4.430 4.739 -0.309 1
1 363 . 10 1 1 A 27 27 THR C C 38 174.800 174.813 -0.013 1
1 364 . 10 1 1 A 27 27 THR CA C 38 61.600 61.312 0.288 1
1 365 . 10 1 1 A 27 27 THR CB C 38 69.400 70.002 -0.602 1
1 367 . 10 1 1 A 27 27 THR N N 38 114.000 113.706 0.294 1
1 368 . 10 1 1 A 28 28 ASN H H 39 7.880 7.972 -0.092 1
1 369 . 10 1 1 A 28 28 ASN HA H 39 4.780 4.646 0.134 1
1 374 . 10 1 1 A 28 28 ASN C C 39 173.700 174.837 -1.137 1
1 375 . 10 1 1 A 28 28 ASN CA C 39 54.100 54.939 -0.839 1
1 376 . 10 1 1 A 28 28 ASN CB C 39 40.800 38.345 2.455 1
1 378 . 10 1 1 A 28 28 ASN N N 39 118.900 119.966 -1.066 1
1 380 . 10 1 1 A 29 29 GLU H H 40 8.150 8.328 -0.178 1
1 381 . 10 1 1 A 29 29 GLU HA H 40 4.560 4.149 0.411 1
1 386 . 10 1 1 A 29 29 GLU C C 40 174.800 175.954 -1.154 1
1 387 . 10 1 1 A 29 29 GLU CA C 40 55.600 59.242 -3.642 1
1 388 . 10 1 1 A 29 29 GLU CB C 40 30.500 29.100 1.400 1
1 390 . 10 1 1 A 29 29 GLU N N 40 121.700 120.831 0.869 1
1 391 . 10 1 1 A 30 30 GLU H H 41 8.410 8.074 0.336 1
1 392 . 10 1 1 A 30 30 GLU HA H 41 4.410 4.428 -0.018 1
1 397 . 10 1 1 A 30 30 GLU C C 41 175.100 175.594 -0.494 1
1 398 . 10 1 1 A 30 30 GLU CA C 41 55.400 56.714 -1.314 1
1 399 . 10 1 1 A 30 30 GLU CB C 41 32.200 31.250 0.950 1
1 401 . 10 1 1 A 30 30 GLU N N 41 120.500 123.363 -2.863 1
1 402 . 10 1 1 A 31 31 PHE H H 42 8.570 8.830 -0.260 1
1 403 . 10 1 1 A 31 31 PHE HA H 42 4.820 4.808 0.012 1
1 411 . 10 1 1 A 31 31 PHE C C 42 174.800 174.608 0.192 1
1 412 . 10 1 1 A 31 31 PHE CA C 42 57.800 58.205 -0.405 1
1 413 . 10 1 1 A 31 31 PHE CB C 42 40.200 40.349 -0.149 1
1 419 . 10 1 1 A 31 31 PHE N N 42 120.700 126.942 -6.242 1
1 420 . 10 1 1 A 32 32 ASN H H 43 8.350 8.597 -0.247 1
1 421 . 10 1 1 A 32 32 ASN HA H 43 4.950 4.566 0.384 1
1 426 . 10 1 1 A 32 32 ASN CA C 43 51.600 51.684 -0.084 1
1 427 . 10 1 1 A 32 32 ASN CB C 43 39.300 38.259 1.041 1
1 429 . 10 1 1 A 32 32 ASN N N 43 122.000 125.478 -3.478 1
1 431 . 10 1 1 A 33 33 PRO HA H 44 4.260 4.440 -0.180 1
1 438 . 10 1 1 A 33 33 PRO C C 44 177.400 178.209 -0.809 1
1 439 . 10 1 1 A 33 33 PRO CA C 44 65.300 65.338 -0.038 1
1 440 . 10 1 1 A 33 33 PRO CB C 44 32.200 32.133 0.067 1
1 443 . 10 1 1 A 34 34 ILE H H 45 7.840 8.423 -0.583 1
1 444 . 10 1 1 A 34 34 ILE HA H 45 4.240 4.150 0.090 1
1 454 . 10 1 1 A 34 34 ILE C C 45 176.400 176.105 0.295 1
1 455 . 10 1 1 A 34 34 ILE CA C 45 61.000 61.398 -0.398 1
1 456 . 10 1 1 A 34 34 ILE CB C 45 38.600 38.462 0.138 1
1 460 . 10 1 1 A 34 34 ILE N N 45 113.700 115.837 -2.137 1
1 461 . 10 1 1 A 35 35 GLY H H 46 7.860 8.068 -0.208 1
1 462 . 10 1 1 A 35 35 GLY HA2 H 46 3.870 3.979 -0.109 1
1 463 . 10 1 1 A 35 35 GLY HA3 H 46 4.130 4.009 0.121 1
1 464 . 10 1 1 A 35 35 GLY C C 46 172.700 171.609 1.091 1
1 465 . 10 1 1 A 35 35 GLY CA C 46 45.900 46.029 -0.129 1
1 466 . 10 1 1 A 35 35 GLY N N 46 111.900 107.444 4.456 1
1 467 . 10 1 1 A 36 36 ILE H H 47 8.180 8.437 -0.257 1
1 468 . 10 1 1 A 36 36 ILE HA H 47 4.720 4.136 0.584 1
1 478 . 10 1 1 A 36 36 ILE C C 47 174.900 173.820 1.080 1
1 479 . 10 1 1 A 36 36 ILE CA C 47 60.500 58.416 2.084 1
1 480 . 10 1 1 A 36 36 ILE CB C 47 40.800 42.507 -1.707 1
1 484 . 10 1 1 A 36 36 ILE N N 47 118.300 120.939 -2.639 1
1 485 . 10 1 1 A 37 37 SER H H 48 8.430 8.582 -0.152 1
1 486 . 10 1 1 A 37 37 SER HA H 48 4.990 5.448 -0.458 1
1 489 . 10 1 1 A 37 37 SER C C 48 172.900 173.239 -0.339 1
1 490 . 10 1 1 A 37 37 SER CA C 48 57.800 56.994 0.806 1
1 491 . 10 1 1 A 37 37 SER CB C 48 65.600 65.593 0.007 1
1 492 . 10 1 1 A 37 37 SER N N 48 116.700 118.789 -2.089 1
1 493 . 10 1 1 A 38 38 ILE H H 49 9.150 9.189 -0.039 1
1 494 . 10 1 1 A 38 38 ILE HA H 49 4.720 4.843 -0.123 1
1 504 . 10 1 1 A 38 38 ILE C C 49 173.900 174.012 -0.112 1
1 505 . 10 1 1 A 38 38 ILE CA C 49 60.600 60.650 -0.050 1
1 506 . 10 1 1 A 38 38 ILE CB C 49 41.000 40.809 0.191 1
1 510 . 10 1 1 A 38 38 ILE N N 49 124.300 125.790 -1.490 1
1 511 . 10 1 1 A 39 39 ASP H H 50 8.700 9.075 -0.375 1
1 512 . 10 1 1 A 39 39 ASP HA H 50 5.540 5.522 0.018 1
1 515 . 10 1 1 A 39 39 ASP C C 50 176.200 175.121 1.079 1
1 516 . 10 1 1 A 39 39 ASP CA C 50 52.300 52.194 0.106 1
1 517 . 10 1 1 A 39 39 ASP CB C 50 44.300 44.044 0.256 1
1 518 . 10 1 1 A 39 39 ASP N N 50 126.600 128.469 -1.869 1
1 519 . 10 1 1 A 40 40 GLY H H 51 7.100 7.415 -0.315 1
1 520 . 10 1 1 A 40 40 GLY HA2 H 51 3.780 3.792 -0.012 1
1 521 . 10 1 1 A 40 40 GLY HA3 H 51 4.070 4.030 0.040 1
1 522 . 10 1 1 A 40 40 GLY C C 51 170.100 171.247 -1.147 1
1 523 . 10 1 1 A 40 40 GLY CA C 51 47.200 45.759 1.441 1
1 524 . 10 1 1 A 40 40 GLY N N 51 106.400 109.412 -3.012 1
1 525 . 10 1 1 A 41 41 TYR H H 52 8.390 8.358 0.032 1
1 526 . 10 1 1 A 41 41 TYR HA H 52 5.530 6.021 -0.491 1
1 533 . 10 1 1 A 41 41 TYR C C 52 175.200 173.283 1.917 1
1 534 . 10 1 1 A 41 41 TYR CA C 52 56.000 56.170 -0.170 1
1 535 . 10 1 1 A 41 41 TYR CB C 52 39.200 42.163 -2.963 1
1 540 . 10 1 1 A 41 41 TYR N N 52 113.900 115.287 -1.387 1
1 541 . 10 1 1 A 42 42 ILE H H 53 8.420 8.460 -0.040 1
1 542 . 10 1 1 A 42 42 ILE HA H 53 5.450 4.988 0.462 1
1 552 . 10 1 1 A 42 42 ILE C C 53 174.500 175.207 -0.707 1
1 553 . 10 1 1 A 42 42 ILE CA C 53 59.300 59.534 -0.234 1
1 554 . 10 1 1 A 42 42 ILE CB C 53 40.700 41.308 -0.608 1
1 558 . 10 1 1 A 42 42 ILE N N 53 113.200 117.517 -4.317 1
1 559 . 10 1 1 A 43 43 ASN H H 54 8.760 9.184 -0.424 1
1 560 . 10 1 1 A 43 43 ASN HA H 54 4.120 4.396 -0.276 1
1 565 . 10 1 1 A 43 43 ASN C C 54 173.900 174.538 -0.638 1
1 566 . 10 1 1 A 43 43 ASN CA C 54 53.300 54.623 -1.323 1
1 567 . 10 1 1 A 43 43 ASN CB C 54 35.500 37.027 -1.527 1
1 569 . 10 1 1 A 43 43 ASN N N 54 116.700 118.992 -2.292 1
1 571 . 10 1 1 A 44 44 ASN H H 55 9.270 8.667 0.603 1
1 572 . 10 1 1 A 44 44 ASN HA H 55 4.260 4.443 -0.183 1
1 577 . 10 1 1 A 44 44 ASN C C 55 173.600 173.703 -0.103 1
1 578 . 10 1 1 A 44 44 ASN CA C 55 54.800 54.759 0.041 1
1 579 . 10 1 1 A 44 44 ASN CB C 55 38.100 37.257 0.843 1
1 581 . 10 1 1 A 44 44 ASN N N 55 110.300 108.710 1.590 1
1 583 . 10 1 1 A 45 45 ASP H H 56 8.100 8.194 -0.094 1
1 584 . 10 1 1 A 45 45 ASP HA H 56 4.760 4.808 -0.048 1
1 587 . 10 1 1 A 45 45 ASP C C 56 175.900 176.233 -0.333 1
1 588 . 10 1 1 A 45 45 ASP CA C 56 52.600 53.050 -0.450 1
1 589 . 10 1 1 A 45 45 ASP CB C 56 42.000 41.810 0.190 1
1 590 . 10 1 1 A 45 45 ASP N N 56 119.500 118.464 1.036 1
1 591 . 10 1 1 A 46 46 LYS H H 57 8.260 8.662 -0.402 1
1 592 . 10 1 1 A 46 46 LYS HA H 57 2.760 3.711 -0.951 1
1 601 . 10 1 1 A 46 46 LYS C C 57 177.100 178.474 -1.374 1
1 602 . 10 1 1 A 46 46 LYS CA C 57 58.400 59.511 -1.111 1
1 603 . 10 1 1 A 46 46 LYS CB C 57 31.700 32.012 -0.312 1
1 607 . 10 1 1 A 46 46 LYS N N 57 124.100 125.944 -1.844 1
1 608 . 10 1 1 A 47 47 ASN H H 58 8.610 8.064 0.546 1
1 609 . 10 1 1 A 47 47 ASN HA H 58 4.620 4.544 0.076 1
1 614 . 10 1 1 A 47 47 ASN C C 58 177.000 176.769 0.231 1
1 615 . 10 1 1 A 47 47 ASN CA C 58 54.400 56.285 -1.885 1
1 616 . 10 1 1 A 47 47 ASN CB C 58 38.500 38.442 0.058 1
1 618 . 10 1 1 A 47 47 ASN N N 58 114.800 117.253 -2.453 1
1 620 . 10 1 1 A 48 48 LEU H H 59 8.470 7.518 0.952 1
1 621 . 10 1 1 A 48 48 LEU HA H 59 4.470 4.554 -0.084 1
1 631 . 10 1 1 A 48 48 LEU C C 59 175.300 175.649 -0.349 1
1 632 . 10 1 1 A 48 48 LEU CA C 59 52.800 54.398 -1.598 1
1 633 . 10 1 1 A 48 48 LEU CB C 59 39.100 40.367 -1.267 1
1 637 . 10 1 1 A 48 48 LEU N N 59 125.800 120.321 5.479 1
1 638 . 10 1 1 A 49 49 SER H H 60 7.270 8.766 -1.496 1
1 639 . 10 1 1 A 49 49 SER HA H 60 5.230 5.631 -0.401 1
1 642 . 10 1 1 A 49 49 SER C C 60 173.200 173.749 -0.549 1
1 643 . 10 1 1 A 49 49 SER CA C 60 56.900 57.380 -0.480 1
1 644 . 10 1 1 A 49 49 SER CB C 60 66.500 65.503 0.997 1
1 645 . 10 1 1 A 49 49 SER N N 60 112.400 122.599 -10.199 1
1 646 . 10 1 1 A 50 50 PHE H H 61 8.260 8.593 -0.333 1
1 647 . 10 1 1 A 50 50 PHE HA H 61 5.490 5.651 -0.161 1
1 655 . 10 1 1 A 50 50 PHE C C 61 174.500 173.178 1.322 1
1 656 . 10 1 1 A 50 50 PHE CA C 61 56.300 56.009 0.291 1
1 657 . 10 1 1 A 50 50 PHE CB C 61 44.600 42.834 1.766 1
1 663 . 10 1 1 A 50 50 PHE N N 61 114.200 119.210 -5.010 1
1 664 . 10 1 1 A 51 51 THR H H 62 8.520 8.729 -0.209 1
1 665 . 10 1 1 A 51 51 THR HA H 62 5.140 5.265 -0.125 1
1 670 . 10 1 1 A 51 51 THR C C 62 172.600 173.645 -1.045 1
1 671 . 10 1 1 A 51 51 THR CA C 62 62.000 61.142 0.858 1
1 672 . 10 1 1 A 51 51 THR CB C 62 72.000 72.243 -0.243 1
1 674 . 10 1 1 A 51 51 THR N N 62 116.000 115.499 0.501 1
1 675 . 10 1 1 A 52 52 ALA H H 63 9.870 8.968 0.902 1
1 676 . 10 1 1 A 52 52 ALA HA H 63 5.180 5.501 -0.321 1
1 680 . 10 1 1 A 52 52 ALA C C 63 176.300 175.753 0.547 1
1 681 . 10 1 1 A 52 52 ALA CA C 63 50.300 50.601 -0.301 1
1 682 . 10 1 1 A 52 52 ALA CB C 63 24.000 22.515 1.485 1
1 683 . 10 1 1 A 52 52 ALA N N 63 130.400 128.141 2.259 1
1 684 . 10 1 1 A 53 53 GLY H H 64 8.340 9.446 -1.106 1
1 685 . 10 1 1 A 53 53 GLY HA2 H 64 3.630 4.247 -0.617 1
1 686 . 10 1 1 A 53 53 GLY HA3 H 64 4.830 4.253 0.577 1
1 687 . 10 1 1 A 53 53 GLY C C 64 173.200 174.495 -1.295 1
1 688 . 10 1 1 A 53 53 GLY CA C 64 43.200 43.905 -0.705 1
1 689 . 10 1 1 A 53 53 GLY N N 64 107.100 110.113 -3.013 1
1 690 . 10 1 1 A 54 54 LYS H H 65 8.430 8.811 -0.381 1
1 691 . 10 1 1 A 54 54 LYS HA H 65 3.750 4.141 -0.391 1
1 700 . 10 1 1 A 54 54 LYS CA C 65 58.300 58.114 0.186 1
1 701 . 10 1 1 A 54 54 LYS CB C 65 32.600 31.942 0.658 1
1 705 . 10 1 1 A 54 54 LYS N N 65 119.300 123.453 -4.153 1
1 708 . 10 1 1 A 55 55 ASP C C 66 172.900 175.939 -3.039 1
1 709 . 10 1 1 A 56 56 VAL H H 67 8.510 9.104 -0.594 1
1 710 . 10 1 1 A 56 56 VAL HA H 67 3.100 3.806 -0.706 1
1 718 . 10 1 1 A 56 56 VAL C C 67 176.400 175.654 0.746 1
1 719 . 10 1 1 A 56 56 VAL CA C 67 62.800 63.716 -0.916 1
1 720 . 10 1 1 A 56 56 VAL CB C 67 30.400 29.064 1.336 1
1 723 . 10 1 1 A 56 56 VAL N N 67 112.700 115.849 -3.149 1
1 724 . 10 1 1 A 57 57 LYS H H 68 7.580 7.841 -0.261 1
1 725 . 10 1 1 A 57 57 LYS HA H 68 4.000 4.289 -0.289 1
1 734 . 10 1 1 A 57 57 LYS C C 68 176.700 176.752 -0.052 1
1 735 . 10 1 1 A 57 57 LYS CA C 68 58.400 58.734 -0.334 1
1 736 . 10 1 1 A 57 57 LYS CB C 68 32.100 32.839 -0.739 1
1 740 . 10 1 1 A 57 57 LYS N N 68 118.700 120.804 -2.104 1
1 741 . 10 1 1 A 58 58 ILE H H 69 7.160 7.531 -0.371 1
1 742 . 10 1 1 A 58 58 ILE HA H 69 4.270 4.581 -0.311 1
1 752 . 10 1 1 A 58 58 ILE C C 69 174.300 175.183 -0.883 1
1 753 . 10 1 1 A 58 58 ILE CA C 69 59.900 60.366 -0.466 1
1 754 . 10 1 1 A 58 58 ILE CB C 69 41.000 40.896 0.104 1
1 758 . 10 1 1 A 58 58 ILE N N 69 115.700 119.358 -3.658 1
1 759 . 10 1 1 A 59 59 PHE H H 70 8.560 8.486 0.074 1
1 760 . 10 1 1 A 59 59 PHE HA H 70 4.890 5.934 -1.044 1
1 765 . 10 1 1 A 59 59 PHE C C 70 173.500 172.454 1.046 1
1 766 . 10 1 1 A 59 59 PHE CA C 70 58.700 55.541 3.159 1
1 767 . 10 1 1 A 59 59 PHE CB C 70 42.400 43.128 -0.728 1
1 770 . 10 1 1 A 59 59 PHE N N 70 127.500 123.630 3.870 1
1 771 . 10 1 1 A 60 60 SER H H 71 8.430 8.898 -0.468 1
1 772 . 10 1 1 A 60 60 SER HA H 71 4.850 5.250 -0.400 1
1 775 . 10 1 1 A 60 60 SER C C 71 172.100 172.692 -0.592 1
1 776 . 10 1 1 A 60 60 SER CA C 71 56.900 56.800 0.100 1
1 777 . 10 1 1 A 60 60 SER CB C 71 65.000 65.729 -0.729 1
1 778 . 10 1 1 A 60 60 SER N N 71 124.200 115.605 8.595 1
1 779 . 10 1 1 A 61 61 SER H H 72 8.630 8.722 -0.092 1
1 780 . 10 1 1 A 61 61 SER HA H 72 5.380 5.443 -0.063 1
1 783 . 10 1 1 A 61 61 SER C C 72 174.700 173.408 1.292 1
1 784 . 10 1 1 A 61 61 SER CA C 72 57.400 56.640 0.760 1
1 785 . 10 1 1 A 61 61 SER CB C 72 68.200 66.225 1.975 1
1 786 . 10 1 1 A 61 61 SER N N 72 116.900 119.777 -2.877 1
1 787 . 10 1 1 A 62 62 SER H H 73 8.810 8.829 -0.019 1
1 788 . 10 1 1 A 62 62 SER HA H 73 4.570 4.757 -0.187 1
1 792 . 10 1 1 A 62 62 SER C C 73 175.000 176.105 -1.105 1
1 793 . 10 1 1 A 62 62 SER CA C 73 57.600 57.281 0.319 1
1 794 . 10 1 1 A 62 62 SER CB C 73 65.400 65.343 0.057 1
1 795 . 10 1 1 A 62 62 SER N N 73 117.000 118.079 -1.079 1
1 796 . 10 1 1 A 63 63 GLU H H 74 9.240 9.074 0.166 1
1 797 . 10 1 1 A 63 63 GLU HA H 74 4.140 4.020 0.120 1
1 802 . 10 1 1 A 63 63 GLU C C 74 179.000 178.471 0.529 1
1 803 . 10 1 1 A 63 63 GLU CA C 74 60.100 59.801 0.299 1
1 804 . 10 1 1 A 63 63 GLU CB C 74 29.600 29.541 0.059 1
1 806 . 10 1 1 A 63 63 GLU N N 74 123.600 120.644 2.956 1
1 807 . 10 1 1 A 64 64 GLU H H 75 8.970 8.202 0.768 1
1 808 . 10 1 1 A 64 64 GLU HA H 75 3.950 4.083 -0.133 1
1 813 . 10 1 1 A 64 64 GLU C C 75 179.000 179.474 -0.474 1
1 814 . 10 1 1 A 64 64 GLU CA C 75 60.100 59.035 1.065 1
1 815 . 10 1 1 A 64 64 GLU CB C 75 29.500 29.308 0.192 1
1 817 . 10 1 1 A 64 64 GLU N N 75 117.000 120.842 -3.842 1
1 818 . 10 1 1 A 65 65 LEU H H 76 7.740 7.706 0.034 1
1 819 . 10 1 1 A 65 65 LEU HA H 76 4.330 4.250 0.080 1
1 829 . 10 1 1 A 65 65 LEU C C 76 178.900 178.253 0.647 1
1 830 . 10 1 1 A 65 65 LEU CA C 76 57.500 57.365 0.135 1
1 831 . 10 1 1 A 65 65 LEU CB C 76 41.800 41.877 -0.077 1
1 835 . 10 1 1 A 65 65 LEU N N 76 119.900 121.051 -1.151 1
1 836 . 10 1 1 A 66 66 ASP H H 77 8.620 8.818 -0.198 1
1 837 . 10 1 1 A 66 66 ASP HA H 77 4.580 4.264 0.316 1
1 840 . 10 1 1 A 66 66 ASP C C 77 178.800 178.387 0.413 1
1 841 . 10 1 1 A 66 66 ASP CA C 77 58.300 58.045 0.255 1
1 842 . 10 1 1 A 66 66 ASP CB C 77 42.100 41.227 0.873 1
1 843 . 10 1 1 A 66 66 ASP N N 77 120.300 119.336 0.964 1
1 844 . 10 1 1 A 67 67 LYS H H 78 7.210 8.140 -0.930 1
1 845 . 10 1 1 A 67 67 LYS HA H 78 4.240 4.137 0.103 1
1 854 . 10 1 1 A 67 67 LYS C C 78 177.400 178.692 -1.292 1
1 855 . 10 1 1 A 67 67 LYS CA C 78 58.000 59.120 -1.120 1
1 856 . 10 1 1 A 67 67 LYS CB C 78 33.000 31.718 1.282 1
1 860 . 10 1 1 A 67 67 LYS N N 78 113.200 117.487 -4.287 1
1 861 . 10 1 1 A 68 68 MET H H 79 8.210 7.957 0.253 1
1 862 . 10 1 1 A 68 68 MET HA H 79 4.270 4.275 -0.005 1
1 870 . 10 1 1 A 68 68 MET C C 79 176.800 177.188 -0.388 1
1 871 . 10 1 1 A 68 68 MET CA C 79 56.800 58.443 -1.643 1
1 872 . 10 1 1 A 68 68 MET CB C 79 33.900 32.718 1.182 1
1 875 . 10 1 1 A 68 68 MET N N 79 116.400 117.790 -1.390 1
1 876 . 10 1 1 A 69 69 PHE H H 80 7.330 7.841 -0.511 1
1 877 . 10 1 1 A 69 69 PHE HA H 80 4.300 4.729 -0.429 1
1 882 . 10 1 1 A 69 69 PHE C C 80 176.900 175.509 1.391 1
1 883 . 10 1 1 A 69 69 PHE CA C 80 59.300 59.341 -0.041 1
1 884 . 10 1 1 A 69 69 PHE CB C 80 40.600 39.391 1.209 1
1 887 . 10 1 1 A 69 69 PHE N N 80 118.100 118.363 -0.263 1
1 888 . 10 1 1 A 70 70 GLN H H 81 8.540 8.625 -0.085 1
1 889 . 10 1 1 A 70 70 GLN HA H 81 4.450 4.733 -0.283 1
1 896 . 10 1 1 A 70 70 GLN C C 81 174.200 175.757 -1.557 1
1 897 . 10 1 1 A 70 70 GLN CA C 81 55.000 56.201 -1.201 1
1 898 . 10 1 1 A 70 70 GLN CB C 81 29.400 30.883 -1.483 1
1 901 . 10 1 1 A 70 70 GLN N N 81 121.600 121.969 -0.369 1
1 903 . 10 1 1 A 71 71 GLU H H 82 8.340 7.881 0.459 1
1 904 . 10 1 1 A 71 71 GLU HA H 82 4.780 4.724 0.056 1
1 909 . 10 1 1 A 71 71 GLU CA C 82 53.100 53.450 -0.350 1
1 910 . 10 1 1 A 71 71 GLU CB C 82 30.600 30.796 -0.196 1
1 912 . 10 1 1 A 71 71 GLU N N 82 122.900 118.504 4.396 1
1 913 . 10 1 1 A 72 72 PRO HA H 83 4.880 4.551 0.329 1
1 920 . 10 1 1 A 72 72 PRO C C 83 176.200 176.816 -0.616 1
1 921 . 10 1 1 A 72 72 PRO CA C 83 62.100 63.077 -0.977 1
1 922 . 10 1 1 A 72 72 PRO CB C 83 33.800 31.852 1.948 1
1 925 . 10 1 1 A 73 73 ARG H H 84 8.580 8.443 0.137 1
1 926 . 10 1 1 A 73 73 ARG HA H 84 4.390 4.922 -0.532 1
1 934 . 10 1 1 A 73 73 ARG C C 84 176.000 176.481 -0.481 1
1 935 . 10 1 1 A 73 73 ARG CA C 84 56.000 56.726 -0.726 1
1 936 . 10 1 1 A 73 73 ARG CB C 84 31.100 30.861 0.239 1
1 940 . 10 1 1 A 73 73 ARG N N 84 123.400 123.285 0.115 1
1 942 . 10 1 1 A 74 74 LYS H H 85 9.080 8.936 0.144 1
1 943 . 10 1 1 A 74 74 LYS HA H 85 4.540 5.176 -0.636 1
1 952 . 10 1 1 A 74 74 LYS C C 85 176.500 176.631 -0.131 1
1 953 . 10 1 1 A 74 74 LYS CA C 85 55.000 54.614 0.386 1
1 954 . 10 1 1 A 74 74 LYS CB C 85 34.900 36.991 -2.091 1
1 958 . 10 1 1 A 74 74 LYS N N 85 123.300 124.385 -1.085 1
1 959 . 10 1 1 A 75 75 GLY H H 86 8.870 8.774 0.096 1
1 960 . 10 1 1 A 75 75 GLY HA2 H 86 3.930 4.136 -0.206 1
1 961 . 10 1 1 A 75 75 GLY HA3 H 86 4.350 4.185 0.165 1
1 962 . 10 1 1 A 75 75 GLY C C 86 174.000 175.010 -1.010 1
1 963 . 10 1 1 A 75 75 GLY CA C 86 44.600 44.737 -0.137 1
1 964 . 10 1 1 A 75 75 GLY N N 86 108.700 109.377 -0.677 1
1 965 . 10 1 1 A 76 76 TYR H H 87 8.880 9.060 -0.180 1
1 966 . 10 1 1 A 76 76 TYR HA H 87 3.930 4.071 -0.141 1
1 973 . 10 1 1 A 76 76 TYR C C 87 175.800 177.326 -1.526 1
1 974 . 10 1 1 A 76 76 TYR CA C 87 62.900 61.395 1.505 1
1 975 . 10 1 1 A 76 76 TYR CB C 87 38.700 38.781 -0.081 1
1 980 . 10 1 1 A 76 76 TYR N N 87 120.400 120.756 -0.356 1
1 981 . 10 1 1 A 77 77 ASP H H 88 8.450 8.659 -0.209 1
1 982 . 10 1 1 A 77 77 ASP HA H 88 4.000 4.207 -0.207 1
1 985 . 10 1 1 A 77 77 ASP C C 88 178.200 178.181 0.019 1
1 986 . 10 1 1 A 77 77 ASP CA C 88 57.000 56.789 0.211 1
1 987 . 10 1 1 A 77 77 ASP CB C 88 39.600 39.814 -0.214 1
1 988 . 10 1 1 A 77 77 ASP N N 88 115.800 118.836 -3.036 1
1 989 . 10 1 1 A 78 78 GLU H H 89 7.520 8.025 -0.505 1
1 990 . 10 1 1 A 78 78 GLU HA H 89 4.020 4.114 -0.094 1
1 995 . 10 1 1 A 78 78 GLU C C 89 178.500 179.404 -0.904 1
1 996 . 10 1 1 A 78 78 GLU CA C 89 58.500 59.163 -0.663 1
1 997 . 10 1 1 A 78 78 GLU CB C 89 30.100 29.510 0.590 1
1 999 . 10 1 1 A 78 78 GLU N N 89 119.600 120.208 -0.608 1
1 1000 . 10 1 1 A 79 79 ILE H H 90 7.850 7.513 0.337 1
1 1001 . 10 1 1 A 79 79 ILE HA H 90 3.300 3.863 -0.563 1
1 1011 . 10 1 1 A 79 79 ILE C C 90 177.700 177.929 -0.229 1
1 1012 . 10 1 1 A 79 79 ILE CA C 90 64.600 64.396 0.204 1
1 1013 . 10 1 1 A 79 79 ILE CB C 90 37.700 37.337 0.363 1
1 1017 . 10 1 1 A 79 79 ILE N N 90 121.700 117.864 3.836 1
1 1018 . 10 1 1 A 80 80 LEU H H 91 7.710 7.825 -0.115 1
1 1019 . 10 1 1 A 80 80 LEU HA H 91 3.780 3.876 -0.096 1
1 1029 . 10 1 1 A 80 80 LEU C C 91 178.600 178.767 -0.167 1
1 1030 . 10 1 1 A 80 80 LEU CA C 91 56.900 58.474 -1.574 1
1 1031 . 10 1 1 A 80 80 LEU CB C 91 41.600 41.515 0.085 1
1 1035 . 10 1 1 A 80 80 LEU N N 91 120.500 123.811 -3.311 1
1 1036 . 10 1 1 A 81 81 GLU H H 92 7.620 7.955 -0.335 1
1 1037 . 10 1 1 A 81 81 GLU HA H 92 3.960 4.137 -0.177 1
1 1042 . 10 1 1 A 81 81 GLU C C 92 177.400 177.338 0.062 1
1 1043 . 10 1 1 A 81 81 GLU CA C 92 58.300 59.716 -1.416 1
1 1044 . 10 1 1 A 81 81 GLU CB C 92 29.700 29.611 0.089 1
1 1046 . 10 1 1 A 81 81 GLU N N 92 118.100 118.536 -0.436 1
1 1047 . 10 1 1 A 82 82 HIS H H 93 7.840 7.571 0.269 1
1 1048 . 10 1 1 A 82 82 HIS HA H 93 4.440 4.863 -0.423 1
1 1051 . 10 1 1 A 82 82 HIS C C 93 175.600 174.802 0.798 1
1 1052 . 10 1 1 A 82 82 HIS CA C 93 57.000 56.004 0.996 1
1 1053 . 10 1 1 A 82 82 HIS CB C 93 29.800 30.082 -0.282 1
1 1054 . 10 1 1 A 82 82 HIS N N 93 116.900 119.988 -3.088 1
1 1055 . 10 1 1 A 83 83 HIS H H 94 8.080 8.621 -0.541 1
1 1056 . 10 1 1 A 83 83 HIS HA H 94 4.480 4.442 0.038 1
1 1059 . 10 1 1 A 83 83 HIS CA C 94 56.700 55.547 1.153 1
1 1060 . 10 1 1 A 83 83 HIS CB C 94 29.900 30.373 -0.473 1
1 1 . 11 1 1 A 2 2 PHE HA H 13 4.400 4.103 0.297 1
1 9 . 11 1 1 A 2 2 PHE C C 13 176.400 177.813 -1.413 1
1 10 . 11 1 1 A 2 2 PHE CA C 13 60.700 61.178 -0.478 1
1 11 . 11 1 1 A 2 2 PHE CB C 13 39.700 38.467 1.233 1
1 17 . 11 1 1 A 3 3 PHE H H 14 9.000 8.159 0.841 1
1 18 . 11 1 1 A 3 3 PHE HA H 14 4.000 4.143 -0.143 1
1 25 . 11 1 1 A 3 3 PHE C C 14 177.400 178.282 -0.882 1
1 26 . 11 1 1 A 3 3 PHE CA C 14 61.400 62.385 -0.985 1
1 27 . 11 1 1 A 3 3 PHE CB C 14 38.400 38.447 -0.047 1
1 32 . 11 1 1 A 3 3 PHE N N 14 118.700 118.229 0.471 1
1 33 . 11 1 1 A 4 4 ASN H H 15 8.000 7.906 0.094 1
1 34 . 11 1 1 A 4 4 ASN HA H 15 4.250 4.187 0.063 1
1 39 . 11 1 1 A 4 4 ASN C C 15 177.300 178.627 -1.327 1
1 40 . 11 1 1 A 4 4 ASN CA C 15 56.400 56.458 -0.058 1
1 41 . 11 1 1 A 4 4 ASN CB C 15 38.000 37.803 0.197 1
1 43 . 11 1 1 A 4 4 ASN N N 15 118.300 117.083 1.217 1
1 45 . 11 1 1 A 5 5 GLU H H 16 8.080 8.052 0.028 1
1 46 . 11 1 1 A 5 5 GLU HA H 16 3.970 4.042 -0.072 1
1 51 . 11 1 1 A 5 5 GLU C C 16 179.600 179.101 0.499 1
1 52 . 11 1 1 A 5 5 GLU CA C 16 59.200 59.037 0.163 1
1 53 . 11 1 1 A 5 5 GLU CB C 16 29.400 29.357 0.043 1
1 55 . 11 1 1 A 5 5 GLU N N 16 120.400 120.433 -0.033 1
1 56 . 11 1 1 A 6 6 GLN H H 17 7.930 7.732 0.198 1
1 57 . 11 1 1 A 6 6 GLN HA H 17 3.560 3.953 -0.393 1
1 64 . 11 1 1 A 6 6 GLN CA C 17 58.600 58.576 0.024 1
1 65 . 11 1 1 A 6 6 GLN CB C 17 28.100 28.065 0.035 1
1 68 . 11 1 1 A 6 6 GLN N N 17 117.900 119.330 -1.430 1
1 70 . 11 1 1 A 7 7 LYS H H 18 8.120 7.501 0.619 1
1 71 . 11 1 1 A 7 7 LYS HA H 18 3.350 3.576 -0.226 1
1 80 . 11 1 1 A 7 7 LYS C C 18 179.900 179.419 0.481 1
1 81 . 11 1 1 A 7 7 LYS CA C 18 60.600 59.385 1.215 1
1 82 . 11 1 1 A 7 7 LYS CB C 18 32.000 31.573 0.427 1
1 86 . 11 1 1 A 7 7 LYS N N 18 118.800 120.176 -1.376 1
1 87 . 11 1 1 A 8 8 GLU H H 19 7.740 7.904 -0.164 1
1 88 . 11 1 1 A 8 8 GLU HA H 19 4.040 4.110 -0.070 1
1 93 . 11 1 1 A 8 8 GLU C C 19 179.000 179.376 -0.376 1
1 94 . 11 1 1 A 8 8 GLU CA C 19 59.800 59.007 0.793 1
1 95 . 11 1 1 A 8 8 GLU CB C 19 29.100 29.503 -0.403 1
1 97 . 11 1 1 A 8 8 GLU N N 19 121.300 120.105 1.195 1
1 98 . 11 1 1 A 9 9 LYS H H 20 7.500 7.495 0.005 1
1 99 . 11 1 1 A 9 9 LYS HA H 20 3.950 4.067 -0.117 1
1 108 . 11 1 1 A 9 9 LYS C C 20 178.100 179.484 -1.384 1
1 109 . 11 1 1 A 9 9 LYS CA C 20 60.500 59.380 1.120 1
1 110 . 11 1 1 A 9 9 LYS CB C 20 32.200 31.969 0.231 1
1 114 . 11 1 1 A 9 9 LYS N N 20 120.100 119.099 1.001 1
1 115 . 11 1 1 A 10 10 VAL H H 21 8.030 7.888 0.142 1
1 116 . 11 1 1 A 10 10 VAL HA H 21 3.410 3.641 -0.231 1
1 124 . 11 1 1 A 10 10 VAL C C 21 177.400 178.315 -0.915 1
1 125 . 11 1 1 A 10 10 VAL CA C 21 66.600 66.264 0.336 1
1 126 . 11 1 1 A 10 10 VAL CB C 21 31.800 31.757 0.043 1
1 129 . 11 1 1 A 10 10 VAL N N 21 117.300 119.654 -2.354 1
1 130 . 11 1 1 A 11 11 THR H H 22 8.230 8.332 -0.102 1
1 131 . 11 1 1 A 11 11 THR HA H 22 3.580 3.982 -0.402 1
1 137 . 11 1 1 A 11 11 THR C C 22 174.700 176.265 -1.565 1
1 138 . 11 1 1 A 11 11 THR CA C 22 68.700 67.090 1.610 1
1 139 . 11 1 1 A 11 11 THR CB C 22 68.500 68.322 0.178 1
1 141 . 11 1 1 A 11 11 THR N N 22 115.700 117.362 -1.662 1
1 142 . 11 1 1 A 12 12 LEU H H 23 7.780 8.285 -0.505 1
1 143 . 11 1 1 A 12 12 LEU HA H 23 3.930 3.829 0.101 1
1 153 . 11 1 1 A 12 12 LEU C C 23 178.400 178.368 0.032 1
1 154 . 11 1 1 A 12 12 LEU CA C 23 58.500 58.139 0.361 1
1 155 . 11 1 1 A 12 12 LEU CB C 23 42.300 41.731 0.569 1
1 159 . 11 1 1 A 12 12 LEU N N 23 121.400 121.380 0.020 1
1 160 . 11 1 1 A 13 13 TYR H H 24 7.970 8.620 -0.650 1
1 161 . 11 1 1 A 13 13 TYR HA H 24 3.910 4.218 -0.308 1
1 168 . 11 1 1 A 13 13 TYR C C 24 177.400 177.215 0.185 1
1 169 . 11 1 1 A 13 13 TYR CA C 24 61.700 61.548 0.152 1
1 170 . 11 1 1 A 13 13 TYR CB C 24 39.400 38.956 0.444 1
1 175 . 11 1 1 A 13 13 TYR N N 24 119.100 119.595 -0.495 1
1 176 . 11 1 1 A 14 14 LEU H H 25 8.230 8.621 -0.391 1
1 177 . 11 1 1 A 14 14 LEU HA H 25 3.400 3.810 -0.410 1
1 187 . 11 1 1 A 14 14 LEU C C 25 177.200 178.890 -1.690 1
1 188 . 11 1 1 A 14 14 LEU CA C 25 57.600 57.859 -0.259 1
1 189 . 11 1 1 A 14 14 LEU CB C 25 42.200 41.264 0.936 1
1 193 . 11 1 1 A 14 14 LEU N N 25 119.600 119.675 -0.075 1
1 194 . 11 1 1 A 15 15 LYS H H 26 8.010 8.034 -0.024 1
1 195 . 11 1 1 A 15 15 LYS HA H 26 3.230 3.464 -0.234 1
1 204 . 11 1 1 A 15 15 LYS C C 26 178.800 178.612 0.188 1
1 205 . 11 1 1 A 15 15 LYS CA C 26 59.000 58.791 0.209 1
1 206 . 11 1 1 A 15 15 LYS CB C 26 32.600 31.734 0.866 1
1 210 . 11 1 1 A 15 15 LYS N N 26 117.000 119.895 -2.895 1
1 211 . 11 1 1 A 16 16 HIS H H 27 7.890 7.372 0.518 1
1 212 . 11 1 1 A 16 16 HIS HA H 27 4.030 4.202 -0.172 1
1 217 . 11 1 1 A 16 16 HIS C C 27 175.900 176.735 -0.835 1
1 218 . 11 1 1 A 16 16 HIS CA C 27 59.000 59.877 -0.877 1
1 219 . 11 1 1 A 16 16 HIS CB C 27 30.900 30.881 0.019 1
1 222 . 11 1 1 A 16 16 HIS N N 27 113.200 117.407 -4.207 1
1 223 . 11 1 1 A 17 17 ASN H H 28 6.950 7.432 -0.482 1
1 224 . 11 1 1 A 17 17 ASN HA H 28 4.900 4.517 0.383 1
1 229 . 11 1 1 A 17 17 ASN C C 28 172.900 174.088 -1.188 1
1 230 . 11 1 1 A 17 17 ASN CA C 28 54.100 53.514 0.586 1
1 231 . 11 1 1 A 17 17 ASN CB C 28 42.500 38.755 3.745 1
1 233 . 11 1 1 A 17 17 ASN N N 28 112.200 113.666 -1.466 1
1 235 . 11 1 1 A 18 18 ILE H H 29 7.310 7.349 -0.039 1
1 236 . 11 1 1 A 18 18 ILE HA H 29 4.560 4.502 0.058 1
1 246 . 11 1 1 A 18 18 ILE CA C 29 58.000 58.016 -0.016 1
1 247 . 11 1 1 A 18 18 ILE CB C 29 38.000 39.792 -1.792 1
1 251 . 11 1 1 A 18 18 ILE N N 29 119.300 118.688 0.612 1
1 252 . 11 1 1 A 19 19 PRO HA H 30 4.170 4.509 -0.339 1
1 259 . 11 1 1 A 19 19 PRO C C 30 178.000 177.211 0.789 1
1 260 . 11 1 1 A 19 19 PRO CA C 30 65.700 64.477 1.223 1
1 261 . 11 1 1 A 19 19 PRO CB C 30 32.100 31.824 0.276 1
1 264 . 11 1 1 A 20 20 ASP H H 31 8.470 8.189 0.281 1
1 265 . 11 1 1 A 20 20 ASP HA H 31 4.790 4.786 0.004 1
1 268 . 11 1 1 A 20 20 ASP C C 31 175.600 175.899 -0.299 1
1 269 . 11 1 1 A 20 20 ASP CA C 31 53.800 53.953 -0.153 1
1 270 . 11 1 1 A 20 20 ASP CB C 31 39.600 41.290 -1.690 1
1 271 . 11 1 1 A 20 20 ASP N N 31 113.700 117.481 -3.781 1
1 272 . 11 1 1 A 21 21 PHE H H 32 7.890 7.420 0.470 1
1 273 . 11 1 1 A 21 21 PHE HA H 32 3.810 4.362 -0.552 1
1 281 . 11 1 1 A 21 21 PHE C C 32 174.200 174.978 -0.778 1
1 282 . 11 1 1 A 21 21 PHE CA C 32 61.100 59.799 1.301 1
1 283 . 11 1 1 A 21 21 PHE CB C 32 39.900 39.669 0.231 1
1 289 . 11 1 1 A 21 21 PHE N N 32 122.200 123.570 -1.370 1
1 290 . 11 1 1 A 22 22 ASN H H 33 9.380 8.344 1.036 1
1 291 . 11 1 1 A 22 22 ASN HA H 33 4.680 4.827 -0.147 1
1 296 . 11 1 1 A 22 22 ASN C C 33 173.600 173.945 -0.345 1
1 297 . 11 1 1 A 22 22 ASN CA C 33 54.600 54.533 0.067 1
1 298 . 11 1 1 A 22 22 ASN CB C 33 41.700 41.452 0.248 1
1 300 . 11 1 1 A 22 22 ASN N N 33 126.600 125.353 1.247 1
1 302 . 11 1 1 A 23 23 THR H H 34 7.010 7.106 -0.096 1
1 303 . 11 1 1 A 23 23 THR HA H 34 4.280 4.531 -0.251 1
1 308 . 11 1 1 A 23 23 THR C C 34 171.100 171.497 -0.397 1
1 309 . 11 1 1 A 23 23 THR CA C 34 60.300 60.363 -0.063 1
1 310 . 11 1 1 A 23 23 THR CB C 34 71.100 70.924 0.176 1
1 312 . 11 1 1 A 23 23 THR N N 34 109.600 111.194 -1.594 1
1 313 . 11 1 1 A 24 24 VAL H H 35 8.290 8.725 -0.435 1
1 314 . 11 1 1 A 24 24 VAL HA H 35 4.850 4.810 0.040 1
1 322 . 11 1 1 A 24 24 VAL C C 35 171.400 173.290 -1.890 1
1 323 . 11 1 1 A 24 24 VAL CA C 35 59.300 60.175 -0.875 1
1 324 . 11 1 1 A 24 24 VAL CB C 35 35.500 35.744 -0.244 1
1 327 . 11 1 1 A 24 24 VAL N N 35 119.500 123.232 -3.732 1
1 328 . 11 1 1 A 25 25 THR H H 36 8.200 8.542 -0.342 1
1 329 . 11 1 1 A 25 25 THR HA H 36 4.150 4.790 -0.640 1
1 334 . 11 1 1 A 25 25 THR C C 36 171.900 173.102 -1.202 1
1 335 . 11 1 1 A 25 25 THR CA C 36 61.100 60.498 0.602 1
1 336 . 11 1 1 A 25 25 THR CB C 36 70.900 70.257 0.643 1
1 338 . 11 1 1 A 25 25 THR N N 36 125.200 122.894 2.306 1
1 339 . 11 1 1 A 26 26 PHE H H 37 8.900 8.915 -0.015 1
1 340 . 11 1 1 A 26 26 PHE HA H 37 5.140 4.978 0.162 1
1 348 . 11 1 1 A 26 26 PHE C C 37 176.900 175.790 1.110 1
1 349 . 11 1 1 A 26 26 PHE CA C 37 58.100 57.102 0.998 1
1 350 . 11 1 1 A 26 26 PHE CB C 37 39.900 40.441 -0.541 1
1 356 . 11 1 1 A 26 26 PHE N N 37 124.500 126.241 -1.741 1
1 357 . 11 1 1 A 27 27 THR H H 38 9.090 9.368 -0.278 1
1 358 . 11 1 1 A 27 27 THR HA H 38 4.430 4.605 -0.175 1
1 363 . 11 1 1 A 27 27 THR C C 38 174.800 175.010 -0.210 1
1 364 . 11 1 1 A 27 27 THR CA C 38 61.600 62.163 -0.563 1
1 365 . 11 1 1 A 27 27 THR CB C 38 69.400 70.584 -1.184 1
1 367 . 11 1 1 A 27 27 THR N N 38 114.000 114.255 -0.255 1
1 368 . 11 1 1 A 28 28 ASN H H 39 7.880 7.757 0.123 1
1 369 . 11 1 1 A 28 28 ASN HA H 39 4.780 4.436 0.344 1
1 374 . 11 1 1 A 28 28 ASN C C 39 173.700 174.061 -0.361 1
1 375 . 11 1 1 A 28 28 ASN CA C 39 54.100 54.544 -0.444 1
1 376 . 11 1 1 A 28 28 ASN CB C 39 40.800 36.716 4.084 1
1 378 . 11 1 1 A 28 28 ASN N N 39 118.900 116.304 2.596 1
1 380 . 11 1 1 A 29 29 GLU H H 40 8.150 7.524 0.626 1
1 381 . 11 1 1 A 29 29 GLU HA H 40 4.560 4.626 -0.066 1
1 386 . 11 1 1 A 29 29 GLU C C 40 174.800 175.997 -1.197 1
1 387 . 11 1 1 A 29 29 GLU CA C 40 55.600 55.218 0.382 1
1 388 . 11 1 1 A 29 29 GLU CB C 40 30.500 31.535 -1.035 1
1 390 . 11 1 1 A 29 29 GLU N N 40 121.700 117.708 3.992 1
1 391 . 11 1 1 A 30 30 GLU H H 41 8.410 9.049 -0.639 1
1 392 . 11 1 1 A 30 30 GLU HA H 41 4.410 4.383 0.027 1
1 397 . 11 1 1 A 30 30 GLU C C 41 175.100 174.508 0.592 1
1 398 . 11 1 1 A 30 30 GLU CA C 41 55.400 57.010 -1.610 1
1 399 . 11 1 1 A 30 30 GLU CB C 41 32.200 28.979 3.221 1
1 401 . 11 1 1 A 30 30 GLU N N 41 120.500 121.525 -1.025 1
1 402 . 11 1 1 A 31 31 PHE H H 42 8.570 8.600 -0.030 1
1 403 . 11 1 1 A 31 31 PHE HA H 42 4.820 4.886 -0.066 1
1 411 . 11 1 1 A 31 31 PHE C C 42 174.800 173.803 0.997 1
1 412 . 11 1 1 A 31 31 PHE CA C 42 57.800 58.298 -0.498 1
1 413 . 11 1 1 A 31 31 PHE CB C 42 40.200 42.171 -1.971 1
1 419 . 11 1 1 A 31 31 PHE N N 42 120.700 125.854 -5.154 1
1 420 . 11 1 1 A 32 32 ASN H H 43 8.350 8.674 -0.324 1
1 421 . 11 1 1 A 32 32 ASN HA H 43 4.950 5.083 -0.133 1
1 426 . 11 1 1 A 32 32 ASN CA C 43 51.600 51.295 0.305 1
1 427 . 11 1 1 A 32 32 ASN CB C 43 39.300 37.917 1.383 1
1 429 . 11 1 1 A 32 32 ASN N N 43 122.000 125.265 -3.265 1
1 431 . 11 1 1 A 33 33 PRO HA H 44 4.260 4.569 -0.309 1
1 438 . 11 1 1 A 33 33 PRO C C 44 177.400 177.919 -0.519 1
1 439 . 11 1 1 A 33 33 PRO CA C 44 65.300 64.475 0.825 1
1 440 . 11 1 1 A 33 33 PRO CB C 44 32.200 32.085 0.115 1
1 443 . 11 1 1 A 34 34 ILE H H 45 7.840 7.874 -0.034 1
1 444 . 11 1 1 A 34 34 ILE HA H 45 4.240 4.192 0.048 1
1 454 . 11 1 1 A 34 34 ILE C C 45 176.400 175.539 0.861 1
1 455 . 11 1 1 A 34 34 ILE CA C 45 61.000 62.005 -1.005 1
1 456 . 11 1 1 A 34 34 ILE CB C 45 38.600 38.409 0.191 1
1 460 . 11 1 1 A 34 34 ILE N N 45 113.700 116.526 -2.826 1
1 461 . 11 1 1 A 35 35 GLY H H 46 7.860 7.169 0.691 1
1 462 . 11 1 1 A 35 35 GLY HA2 H 46 3.870 4.007 -0.137 1
1 463 . 11 1 1 A 35 35 GLY HA3 H 46 4.130 4.045 0.085 1
1 464 . 11 1 1 A 35 35 GLY C C 46 172.700 171.539 1.161 1
1 465 . 11 1 1 A 35 35 GLY CA C 46 45.900 45.736 0.164 1
1 466 . 11 1 1 A 35 35 GLY N N 46 111.900 109.339 2.561 1
1 467 . 11 1 1 A 36 36 ILE H H 47 8.180 8.413 -0.233 1
1 468 . 11 1 1 A 36 36 ILE HA H 47 4.720 4.274 0.446 1
1 478 . 11 1 1 A 36 36 ILE C C 47 174.900 173.514 1.386 1
1 479 . 11 1 1 A 36 36 ILE CA C 47 60.500 58.448 2.052 1
1 480 . 11 1 1 A 36 36 ILE CB C 47 40.800 41.491 -0.691 1
1 484 . 11 1 1 A 36 36 ILE N N 47 118.300 120.965 -2.665 1
1 485 . 11 1 1 A 37 37 SER H H 48 8.430 8.778 -0.348 1
1 486 . 11 1 1 A 37 37 SER HA H 48 4.990 5.340 -0.350 1
1 489 . 11 1 1 A 37 37 SER C C 48 172.900 173.169 -0.269 1
1 490 . 11 1 1 A 37 37 SER CA C 48 57.800 56.423 1.377 1
1 491 . 11 1 1 A 37 37 SER CB C 48 65.600 64.623 0.977 1
1 492 . 11 1 1 A 37 37 SER N N 48 116.700 119.820 -3.120 1
1 493 . 11 1 1 A 38 38 ILE H H 49 9.150 9.271 -0.121 1
1 494 . 11 1 1 A 38 38 ILE HA H 49 4.720 4.869 -0.149 1
1 504 . 11 1 1 A 38 38 ILE C C 49 173.900 174.679 -0.779 1
1 505 . 11 1 1 A 38 38 ILE CA C 49 60.600 60.208 0.392 1
1 506 . 11 1 1 A 38 38 ILE CB C 49 41.000 40.235 0.765 1
1 510 . 11 1 1 A 38 38 ILE N N 49 124.300 128.568 -4.268 1
1 511 . 11 1 1 A 39 39 ASP H H 50 8.700 8.784 -0.084 1
1 512 . 11 1 1 A 39 39 ASP HA H 50 5.540 5.559 -0.019 1
1 515 . 11 1 1 A 39 39 ASP C C 50 176.200 176.070 0.130 1
1 516 . 11 1 1 A 39 39 ASP CA C 50 52.300 52.190 0.110 1
1 517 . 11 1 1 A 39 39 ASP CB C 50 44.300 43.670 0.630 1
1 518 . 11 1 1 A 39 39 ASP N N 50 126.600 126.016 0.584 1
1 519 . 11 1 1 A 40 40 GLY H H 51 7.100 7.364 -0.264 1
1 520 . 11 1 1 A 40 40 GLY HA2 H 51 3.780 3.723 0.057 1
1 521 . 11 1 1 A 40 40 GLY HA3 H 51 4.070 4.040 0.030 1
1 522 . 11 1 1 A 40 40 GLY C C 51 170.100 171.250 -1.150 1
1 523 . 11 1 1 A 40 40 GLY CA C 51 47.200 45.648 1.552 1
1 524 . 11 1 1 A 40 40 GLY N N 51 106.400 108.521 -2.121 1
1 525 . 11 1 1 A 41 41 TYR H H 52 8.390 8.317 0.073 1
1 526 . 11 1 1 A 41 41 TYR HA H 52 5.530 5.925 -0.395 1
1 533 . 11 1 1 A 41 41 TYR C C 52 175.200 173.261 1.939 1
1 534 . 11 1 1 A 41 41 TYR CA C 52 56.000 55.933 0.067 1
1 535 . 11 1 1 A 41 41 TYR CB C 52 39.200 42.062 -2.862 1
1 540 . 11 1 1 A 41 41 TYR N N 52 113.900 114.294 -0.394 1
1 541 . 11 1 1 A 42 42 ILE H H 53 8.420 8.413 0.007 1
1 542 . 11 1 1 A 42 42 ILE HA H 53 5.450 4.767 0.683 1
1 552 . 11 1 1 A 42 42 ILE C C 53 174.500 175.115 -0.615 1
1 553 . 11 1 1 A 42 42 ILE CA C 53 59.300 59.353 -0.053 1
1 554 . 11 1 1 A 42 42 ILE CB C 53 40.700 40.860 -0.160 1
1 558 . 11 1 1 A 42 42 ILE N N 53 113.200 117.126 -3.926 1
1 559 . 11 1 1 A 43 43 ASN H H 54 8.760 9.057 -0.297 1
1 560 . 11 1 1 A 43 43 ASN HA H 54 4.120 4.376 -0.256 1
1 565 . 11 1 1 A 43 43 ASN C C 54 173.900 174.523 -0.623 1
1 566 . 11 1 1 A 43 43 ASN CA C 54 53.300 54.582 -1.282 1
1 567 . 11 1 1 A 43 43 ASN CB C 54 35.500 36.995 -1.495 1
1 569 . 11 1 1 A 43 43 ASN N N 54 116.700 118.854 -2.154 1
1 571 . 11 1 1 A 44 44 ASN H H 55 9.270 8.577 0.693 1
1 572 . 11 1 1 A 44 44 ASN HA H 55 4.260 4.492 -0.232 1
1 577 . 11 1 1 A 44 44 ASN C C 55 173.600 173.146 0.454 1
1 578 . 11 1 1 A 44 44 ASN CA C 55 54.800 54.790 0.010 1
1 579 . 11 1 1 A 44 44 ASN CB C 55 38.100 37.355 0.745 1
1 581 . 11 1 1 A 44 44 ASN N N 55 110.300 108.713 1.587 1
1 583 . 11 1 1 A 45 45 ASP H H 56 8.100 8.107 -0.007 1
1 584 . 11 1 1 A 45 45 ASP HA H 56 4.760 4.837 -0.077 1
1 587 . 11 1 1 A 45 45 ASP C C 56 175.900 176.329 -0.429 1
1 588 . 11 1 1 A 45 45 ASP CA C 56 52.600 52.895 -0.295 1
1 589 . 11 1 1 A 45 45 ASP CB C 56 42.000 41.550 0.450 1
1 590 . 11 1 1 A 45 45 ASP N N 56 119.500 119.230 0.270 1
1 591 . 11 1 1 A 46 46 LYS H H 57 8.260 8.653 -0.393 1
1 592 . 11 1 1 A 46 46 LYS HA H 57 2.760 3.447 -0.687 1
1 601 . 11 1 1 A 46 46 LYS C C 57 177.100 178.404 -1.304 1
1 602 . 11 1 1 A 46 46 LYS CA C 57 58.400 59.401 -1.001 1
1 603 . 11 1 1 A 46 46 LYS CB C 57 31.700 31.965 -0.265 1
1 607 . 11 1 1 A 46 46 LYS N N 57 124.100 125.783 -1.683 1
1 608 . 11 1 1 A 47 47 ASN H H 58 8.610 8.029 0.581 1
1 609 . 11 1 1 A 47 47 ASN HA H 58 4.620 4.518 0.102 1
1 614 . 11 1 1 A 47 47 ASN C C 58 177.000 176.741 0.259 1
1 615 . 11 1 1 A 47 47 ASN CA C 58 54.400 56.248 -1.848 1
1 616 . 11 1 1 A 47 47 ASN CB C 58 38.500 38.484 0.016 1
1 618 . 11 1 1 A 47 47 ASN N N 58 114.800 117.260 -2.460 1
1 620 . 11 1 1 A 48 48 LEU H H 59 8.470 7.467 1.003 1
1 621 . 11 1 1 A 48 48 LEU HA H 59 4.470 4.524 -0.054 1
1 631 . 11 1 1 A 48 48 LEU C C 59 175.300 175.564 -0.264 1
1 632 . 11 1 1 A 48 48 LEU CA C 59 52.800 54.215 -1.415 1
1 633 . 11 1 1 A 48 48 LEU CB C 59 39.100 40.050 -0.950 1
1 637 . 11 1 1 A 48 48 LEU N N 59 125.800 120.045 5.755 1
1 638 . 11 1 1 A 49 49 SER H H 60 7.270 8.669 -1.399 1
1 639 . 11 1 1 A 49 49 SER HA H 60 5.230 5.671 -0.441 1
1 642 . 11 1 1 A 49 49 SER C C 60 173.200 173.710 -0.510 1
1 643 . 11 1 1 A 49 49 SER CA C 60 56.900 57.291 -0.391 1
1 644 . 11 1 1 A 49 49 SER CB C 60 66.500 65.627 0.873 1
1 645 . 11 1 1 A 49 49 SER N N 60 112.400 122.220 -9.820 1
1 646 . 11 1 1 A 50 50 PHE H H 61 8.260 8.680 -0.420 1
1 647 . 11 1 1 A 50 50 PHE HA H 61 5.490 5.584 -0.094 1
1 655 . 11 1 1 A 50 50 PHE C C 61 174.500 173.131 1.369 1
1 656 . 11 1 1 A 50 50 PHE CA C 61 56.300 56.019 0.281 1
1 657 . 11 1 1 A 50 50 PHE CB C 61 44.600 42.744 1.856 1
1 663 . 11 1 1 A 50 50 PHE N N 61 114.200 119.207 -5.007 1
1 664 . 11 1 1 A 51 51 THR H H 62 8.520 8.709 -0.189 1
1 665 . 11 1 1 A 51 51 THR HA H 62 5.140 5.447 -0.307 1
1 670 . 11 1 1 A 51 51 THR C C 62 172.600 173.695 -1.095 1
1 671 . 11 1 1 A 51 51 THR CA C 62 62.000 61.116 0.884 1
1 672 . 11 1 1 A 51 51 THR CB C 62 72.000 72.297 -0.297 1
1 674 . 11 1 1 A 51 51 THR N N 62 116.000 115.392 0.608 1
1 675 . 11 1 1 A 52 52 ALA H H 63 9.870 8.983 0.887 1
1 676 . 11 1 1 A 52 52 ALA HA H 63 5.180 5.385 -0.205 1
1 680 . 11 1 1 A 52 52 ALA C C 63 176.300 175.750 0.550 1
1 681 . 11 1 1 A 52 52 ALA CA C 63 50.300 50.598 -0.298 1
1 682 . 11 1 1 A 52 52 ALA CB C 63 24.000 22.522 1.478 1
1 683 . 11 1 1 A 52 52 ALA N N 63 130.400 128.027 2.373 1
1 684 . 11 1 1 A 53 53 GLY H H 64 8.340 9.503 -1.163 1
1 685 . 11 1 1 A 53 53 GLY HA2 H 64 3.630 4.188 -0.558 1
1 686 . 11 1 1 A 53 53 GLY HA3 H 64 4.830 4.193 0.637 1
1 687 . 11 1 1 A 53 53 GLY C C 64 173.200 174.719 -1.519 1
1 688 . 11 1 1 A 53 53 GLY CA C 64 43.200 44.099 -0.899 1
1 689 . 11 1 1 A 53 53 GLY N N 64 107.100 110.507 -3.407 1
1 690 . 11 1 1 A 54 54 LYS H H 65 8.430 8.934 -0.504 1
1 691 . 11 1 1 A 54 54 LYS HA H 65 3.750 4.108 -0.358 1
1 700 . 11 1 1 A 54 54 LYS CA C 65 58.300 58.211 0.089 1
1 701 . 11 1 1 A 54 54 LYS CB C 65 32.600 31.860 0.740 1
1 705 . 11 1 1 A 54 54 LYS N N 65 119.300 122.278 -2.978 1
1 708 . 11 1 1 A 55 55 ASP C C 66 172.900 175.037 -2.137 1
1 709 . 11 1 1 A 56 56 VAL H H 67 8.510 8.798 -0.288 1
1 710 . 11 1 1 A 56 56 VAL HA H 67 3.100 3.783 -0.683 1
1 718 . 11 1 1 A 56 56 VAL C C 67 176.400 175.656 0.744 1
1 719 . 11 1 1 A 56 56 VAL CA C 67 62.800 63.502 -0.702 1
1 720 . 11 1 1 A 56 56 VAL CB C 67 30.400 29.218 1.182 1
1 723 . 11 1 1 A 56 56 VAL N N 67 112.700 114.360 -1.660 1
1 724 . 11 1 1 A 57 57 LYS H H 68 7.580 7.862 -0.282 1
1 725 . 11 1 1 A 57 57 LYS HA H 68 4.000 4.229 -0.229 1
1 734 . 11 1 1 A 57 57 LYS C C 68 176.700 176.750 -0.050 1
1 735 . 11 1 1 A 57 57 LYS CA C 68 58.400 58.539 -0.139 1
1 736 . 11 1 1 A 57 57 LYS CB C 68 32.100 32.808 -0.708 1
1 740 . 11 1 1 A 57 57 LYS N N 68 118.700 120.759 -2.059 1
1 741 . 11 1 1 A 58 58 ILE H H 69 7.160 7.816 -0.656 1
1 742 . 11 1 1 A 58 58 ILE HA H 69 4.270 4.516 -0.246 1
1 752 . 11 1 1 A 58 58 ILE C C 69 174.300 175.228 -0.928 1
1 753 . 11 1 1 A 58 58 ILE CA C 69 59.900 60.129 -0.229 1
1 754 . 11 1 1 A 58 58 ILE CB C 69 41.000 41.345 -0.345 1
1 758 . 11 1 1 A 58 58 ILE N N 69 115.700 119.063 -3.363 1
1 759 . 11 1 1 A 59 59 PHE H H 70 8.560 8.321 0.239 1
1 760 . 11 1 1 A 59 59 PHE HA H 70 4.890 5.888 -0.998 1
1 765 . 11 1 1 A 59 59 PHE C C 70 173.500 172.441 1.059 1
1 766 . 11 1 1 A 59 59 PHE CA C 70 58.700 55.596 3.104 1
1 767 . 11 1 1 A 59 59 PHE CB C 70 42.400 43.120 -0.720 1
1 770 . 11 1 1 A 59 59 PHE N N 70 127.500 123.552 3.948 1
1 771 . 11 1 1 A 60 60 SER H H 71 8.430 8.891 -0.461 1
1 772 . 11 1 1 A 60 60 SER HA H 71 4.850 5.378 -0.528 1
1 775 . 11 1 1 A 60 60 SER C C 71 172.100 172.769 -0.669 1
1 776 . 11 1 1 A 60 60 SER CA C 71 56.900 56.621 0.279 1
1 777 . 11 1 1 A 60 60 SER CB C 71 65.000 65.991 -0.991 1
1 778 . 11 1 1 A 60 60 SER N N 71 124.200 115.612 8.588 1
1 779 . 11 1 1 A 61 61 SER H H 72 8.630 8.749 -0.119 1
1 780 . 11 1 1 A 61 61 SER HA H 72 5.380 5.278 0.102 1
1 783 . 11 1 1 A 61 61 SER C C 72 174.700 173.514 1.186 1
1 784 . 11 1 1 A 61 61 SER CA C 72 57.400 56.736 0.664 1
1 785 . 11 1 1 A 61 61 SER CB C 72 68.200 66.273 1.927 1
1 786 . 11 1 1 A 61 61 SER N N 72 116.900 117.400 -0.500 1
1 787 . 11 1 1 A 62 62 SER H H 73 8.810 8.678 0.132 1
1 788 . 11 1 1 A 62 62 SER HA H 73 4.570 4.829 -0.259 1
1 792 . 11 1 1 A 62 62 SER C C 73 175.000 176.240 -1.240 1
1 793 . 11 1 1 A 62 62 SER CA C 73 57.600 56.971 0.629 1
1 794 . 11 1 1 A 62 62 SER CB C 73 65.400 65.596 -0.196 1
1 795 . 11 1 1 A 62 62 SER N N 73 117.000 116.170 0.830 1
1 796 . 11 1 1 A 63 63 GLU H H 74 9.240 9.011 0.229 1
1 797 . 11 1 1 A 63 63 GLU HA H 74 4.140 4.218 -0.078 1
1 802 . 11 1 1 A 63 63 GLU C C 74 179.000 178.767 0.233 1
1 803 . 11 1 1 A 63 63 GLU CA C 74 60.100 59.867 0.233 1
1 804 . 11 1 1 A 63 63 GLU CB C 74 29.600 29.150 0.450 1
1 806 . 11 1 1 A 63 63 GLU N N 74 123.600 120.639 2.961 1
1 807 . 11 1 1 A 64 64 GLU H H 75 8.970 8.100 0.870 1
1 808 . 11 1 1 A 64 64 GLU HA H 75 3.950 4.175 -0.225 1
1 813 . 11 1 1 A 64 64 GLU C C 75 179.000 179.244 -0.244 1
1 814 . 11 1 1 A 64 64 GLU CA C 75 60.100 58.627 1.473 1
1 815 . 11 1 1 A 64 64 GLU CB C 75 29.500 30.121 -0.621 1
1 817 . 11 1 1 A 64 64 GLU N N 75 117.000 121.172 -4.172 1
1 818 . 11 1 1 A 65 65 LEU H H 76 7.740 8.003 -0.263 1
1 819 . 11 1 1 A 65 65 LEU HA H 76 4.330 4.184 0.146 1
1 829 . 11 1 1 A 65 65 LEU C C 76 178.900 178.750 0.150 1
1 830 . 11 1 1 A 65 65 LEU CA C 76 57.500 57.349 0.151 1
1 831 . 11 1 1 A 65 65 LEU CB C 76 41.800 41.287 0.513 1
1 835 . 11 1 1 A 65 65 LEU N N 76 119.900 121.802 -1.902 1
1 836 . 11 1 1 A 66 66 ASP H H 77 8.620 8.161 0.459 1
1 837 . 11 1 1 A 66 66 ASP HA H 77 4.580 4.550 0.030 1
1 840 . 11 1 1 A 66 66 ASP C C 77 178.800 179.064 -0.264 1
1 841 . 11 1 1 A 66 66 ASP CA C 77 58.300 57.513 0.787 1
1 842 . 11 1 1 A 66 66 ASP CB C 77 42.100 40.117 1.983 1
1 843 . 11 1 1 A 66 66 ASP N N 77 120.300 118.422 1.878 1
1 844 . 11 1 1 A 67 67 LYS H H 78 7.210 7.928 -0.718 1
1 845 . 11 1 1 A 67 67 LYS HA H 78 4.240 4.117 0.123 1
1 854 . 11 1 1 A 67 67 LYS C C 78 177.400 179.055 -1.655 1
1 855 . 11 1 1 A 67 67 LYS CA C 78 58.000 59.101 -1.101 1
1 856 . 11 1 1 A 67 67 LYS CB C 78 33.000 32.232 0.768 1
1 860 . 11 1 1 A 67 67 LYS N N 78 113.200 118.202 -5.002 1
1 861 . 11 1 1 A 68 68 MET H H 79 8.210 8.258 -0.048 1
1 862 . 11 1 1 A 68 68 MET HA H 79 4.270 4.262 0.008 1
1 870 . 11 1 1 A 68 68 MET C C 79 176.800 177.207 -0.407 1
1 871 . 11 1 1 A 68 68 MET CA C 79 56.800 58.272 -1.472 1
1 872 . 11 1 1 A 68 68 MET CB C 79 33.900 33.164 0.736 1
1 875 . 11 1 1 A 68 68 MET N N 79 116.400 118.319 -1.919 1
1 876 . 11 1 1 A 69 69 PHE H H 80 7.330 7.687 -0.357 1
1 877 . 11 1 1 A 69 69 PHE HA H 80 4.300 4.524 -0.224 1
1 882 . 11 1 1 A 69 69 PHE C C 80 176.900 175.401 1.499 1
1 883 . 11 1 1 A 69 69 PHE CA C 80 59.300 59.760 -0.460 1
1 884 . 11 1 1 A 69 69 PHE CB C 80 40.600 39.530 1.070 1
1 887 . 11 1 1 A 69 69 PHE N N 80 118.100 121.771 -3.671 1
1 888 . 11 1 1 A 70 70 GLN H H 81 8.540 8.384 0.156 1
1 889 . 11 1 1 A 70 70 GLN HA H 81 4.450 4.288 0.162 1
1 896 . 11 1 1 A 70 70 GLN C C 81 174.200 174.902 -0.702 1
1 897 . 11 1 1 A 70 70 GLN CA C 81 55.000 55.250 -0.250 1
1 898 . 11 1 1 A 70 70 GLN CB C 81 29.400 30.479 -1.079 1
1 901 . 11 1 1 A 70 70 GLN N N 81 121.600 123.520 -1.920 1
1 903 . 11 1 1 A 71 71 GLU H H 82 8.340 6.953 1.387 1
1 904 . 11 1 1 A 71 71 GLU HA H 82 4.780 4.541 0.239 1
1 909 . 11 1 1 A 71 71 GLU CA C 82 53.100 52.681 0.419 1
1 910 . 11 1 1 A 71 71 GLU CB C 82 30.600 30.672 -0.072 1
1 912 . 11 1 1 A 71 71 GLU N N 82 122.900 121.687 1.213 1
1 913 . 11 1 1 A 72 72 PRO HA H 83 4.880 4.676 0.204 1
1 920 . 11 1 1 A 72 72 PRO C C 83 176.200 177.071 -0.871 1
1 921 . 11 1 1 A 72 72 PRO CA C 83 62.100 63.023 -0.923 1
1 922 . 11 1 1 A 72 72 PRO CB C 83 33.800 31.954 1.846 1
1 925 . 11 1 1 A 73 73 ARG H H 84 8.580 8.705 -0.125 1
1 926 . 11 1 1 A 73 73 ARG HA H 84 4.390 4.861 -0.471 1
1 934 . 11 1 1 A 73 73 ARG C C 84 176.000 175.997 0.003 1
1 935 . 11 1 1 A 73 73 ARG CA C 84 56.000 57.106 -1.106 1
1 936 . 11 1 1 A 73 73 ARG CB C 84 31.100 31.238 -0.138 1
1 940 . 11 1 1 A 73 73 ARG N N 84 123.400 122.809 0.591 1
1 942 . 11 1 1 A 74 74 LYS H H 85 9.080 9.185 -0.105 1
1 943 . 11 1 1 A 74 74 LYS HA H 85 4.540 4.631 -0.091 1
1 952 . 11 1 1 A 74 74 LYS C C 85 176.500 176.730 -0.230 1
1 953 . 11 1 1 A 74 74 LYS CA C 85 55.000 57.024 -2.024 1
1 954 . 11 1 1 A 74 74 LYS CB C 85 34.900 34.551 0.349 1
1 958 . 11 1 1 A 74 74 LYS N N 85 123.300 122.799 0.501 1
1 959 . 11 1 1 A 75 75 GLY H H 86 8.870 7.571 1.299 1
1 960 . 11 1 1 A 75 75 GLY HA2 H 86 3.930 4.182 -0.252 1
1 961 . 11 1 1 A 75 75 GLY HA3 H 86 4.350 4.198 0.152 1
1 962 . 11 1 1 A 75 75 GLY C C 86 174.000 174.700 -0.700 1
1 963 . 11 1 1 A 75 75 GLY CA C 86 44.600 45.454 -0.854 1
1 964 . 11 1 1 A 75 75 GLY N N 86 108.700 103.966 4.734 1
1 965 . 11 1 1 A 76 76 TYR H H 87 8.880 8.866 0.014 1
1 966 . 11 1 1 A 76 76 TYR HA H 87 3.930 4.117 -0.187 1
1 973 . 11 1 1 A 76 76 TYR C C 87 175.800 177.097 -1.297 1
1 974 . 11 1 1 A 76 76 TYR CA C 87 62.900 61.761 1.139 1
1 975 . 11 1 1 A 76 76 TYR CB C 87 38.700 39.011 -0.311 1
1 980 . 11 1 1 A 76 76 TYR N N 87 120.400 121.196 -0.796 1
1 981 . 11 1 1 A 77 77 ASP H H 88 8.450 8.640 -0.190 1
1 982 . 11 1 1 A 77 77 ASP HA H 88 4.000 4.166 -0.166 1
1 985 . 11 1 1 A 77 77 ASP C C 88 178.200 178.493 -0.293 1
1 986 . 11 1 1 A 77 77 ASP CA C 88 57.000 57.918 -0.918 1
1 987 . 11 1 1 A 77 77 ASP CB C 88 39.600 41.132 -1.532 1
1 988 . 11 1 1 A 77 77 ASP N N 88 115.800 119.614 -3.814 1
1 989 . 11 1 1 A 78 78 GLU H H 89 7.520 8.057 -0.537 1
1 990 . 11 1 1 A 78 78 GLU HA H 89 4.020 4.119 -0.099 1
1 995 . 11 1 1 A 78 78 GLU C C 89 178.500 179.543 -1.043 1
1 996 . 11 1 1 A 78 78 GLU CA C 89 58.500 59.116 -0.616 1
1 997 . 11 1 1 A 78 78 GLU CB C 89 30.100 29.560 0.540 1
1 999 . 11 1 1 A 78 78 GLU N N 89 119.600 118.790 0.810 1
1 1000 . 11 1 1 A 79 79 ILE H H 90 7.850 7.585 0.265 1
1 1001 . 11 1 1 A 79 79 ILE HA H 90 3.300 3.781 -0.481 1
1 1011 . 11 1 1 A 79 79 ILE C C 90 177.700 178.207 -0.507 1
1 1012 . 11 1 1 A 79 79 ILE CA C 90 64.600 64.468 0.132 1
1 1013 . 11 1 1 A 79 79 ILE CB C 90 37.700 37.392 0.308 1
1 1017 . 11 1 1 A 79 79 ILE N N 90 121.700 118.067 3.633 1
1 1018 . 11 1 1 A 80 80 LEU H H 91 7.710 7.805 -0.095 1
1 1019 . 11 1 1 A 80 80 LEU HA H 91 3.780 3.862 -0.082 1
1 1029 . 11 1 1 A 80 80 LEU C C 91 178.600 179.426 -0.826 1
1 1030 . 11 1 1 A 80 80 LEU CA C 91 56.900 58.031 -1.131 1
1 1031 . 11 1 1 A 80 80 LEU CB C 91 41.600 40.996 0.604 1
1 1035 . 11 1 1 A 80 80 LEU N N 91 120.500 121.591 -1.091 1
1 1036 . 11 1 1 A 81 81 GLU H H 92 7.620 7.875 -0.255 1
1 1037 . 11 1 1 A 81 81 GLU HA H 92 3.960 4.101 -0.141 1
1 1042 . 11 1 1 A 81 81 GLU C C 92 177.400 177.980 -0.580 1
1 1043 . 11 1 1 A 81 81 GLU CA C 92 58.300 59.781 -1.481 1
1 1044 . 11 1 1 A 81 81 GLU CB C 92 29.700 29.402 0.298 1
1 1046 . 11 1 1 A 81 81 GLU N N 92 118.100 118.171 -0.071 1
1 1047 . 11 1 1 A 82 82 HIS H H 93 7.840 7.713 0.127 1
1 1048 . 11 1 1 A 82 82 HIS HA H 93 4.440 4.561 -0.121 1
1 1051 . 11 1 1 A 82 82 HIS C C 93 175.600 175.412 0.188 1
1 1052 . 11 1 1 A 82 82 HIS CA C 93 57.000 54.835 2.165 1
1 1053 . 11 1 1 A 82 82 HIS CB C 93 29.800 29.304 0.496 1
1 1054 . 11 1 1 A 82 82 HIS N N 93 116.900 119.963 -3.063 1
1 1055 . 11 1 1 A 83 83 HIS H H 94 8.080 8.269 -0.189 1
1 1056 . 11 1 1 A 83 83 HIS HA H 94 4.480 3.826 0.654 1
1 1059 . 11 1 1 A 83 83 HIS CA C 94 56.700 56.401 0.299 1
1 1060 . 11 1 1 A 83 83 HIS CB C 94 29.900 27.784 2.116 1
1 1 . 12 1 1 A 2 2 PHE HA H 13 4.400 4.207 0.193 1
1 9 . 12 1 1 A 2 2 PHE C C 13 176.400 177.511 -1.111 1
1 10 . 12 1 1 A 2 2 PHE CA C 13 60.700 60.989 -0.289 1
1 11 . 12 1 1 A 2 2 PHE CB C 13 39.700 39.048 0.652 1
1 17 . 12 1 1 A 3 3 PHE H H 14 9.000 8.337 0.663 1
1 18 . 12 1 1 A 3 3 PHE HA H 14 4.000 4.080 -0.080 1
1 25 . 12 1 1 A 3 3 PHE C C 14 177.400 177.589 -0.189 1
1 26 . 12 1 1 A 3 3 PHE CA C 14 61.400 62.230 -0.830 1
1 27 . 12 1 1 A 3 3 PHE CB C 14 38.400 38.581 -0.181 1
1 32 . 12 1 1 A 3 3 PHE N N 14 118.700 118.140 0.560 1
1 33 . 12 1 1 A 4 4 ASN H H 15 8.000 8.497 -0.497 1
1 34 . 12 1 1 A 4 4 ASN HA H 15 4.250 4.326 -0.076 1
1 39 . 12 1 1 A 4 4 ASN C C 15 177.300 177.626 -0.326 1
1 40 . 12 1 1 A 4 4 ASN CA C 15 56.400 56.976 -0.576 1
1 41 . 12 1 1 A 4 4 ASN CB C 15 38.000 39.295 -1.295 1
1 43 . 12 1 1 A 4 4 ASN N N 15 118.300 118.212 0.088 1
1 45 . 12 1 1 A 5 5 GLU H H 16 8.080 7.949 0.131 1
1 46 . 12 1 1 A 5 5 GLU HA H 16 3.970 3.976 -0.006 1
1 51 . 12 1 1 A 5 5 GLU C C 16 179.600 179.195 0.405 1
1 52 . 12 1 1 A 5 5 GLU CA C 16 59.200 59.031 0.169 1
1 53 . 12 1 1 A 5 5 GLU CB C 16 29.400 29.376 0.024 1
1 55 . 12 1 1 A 5 5 GLU N N 16 120.400 118.700 1.700 1
1 56 . 12 1 1 A 6 6 GLN H H 17 7.930 7.393 0.537 1
1 57 . 12 1 1 A 6 6 GLN HA H 17 3.560 3.789 -0.229 1
1 64 . 12 1 1 A 6 6 GLN CA C 17 58.600 58.461 0.139 1
1 65 . 12 1 1 A 6 6 GLN CB C 17 28.100 27.829 0.271 1
1 68 . 12 1 1 A 6 6 GLN N N 17 117.900 118.708 -0.808 1
1 70 . 12 1 1 A 7 7 LYS H H 18 8.120 8.236 -0.116 1
1 71 . 12 1 1 A 7 7 LYS HA H 18 3.350 3.703 -0.353 1
1 80 . 12 1 1 A 7 7 LYS C C 18 179.900 178.285 1.615 1
1 81 . 12 1 1 A 7 7 LYS CA C 18 60.600 59.346 1.254 1
1 82 . 12 1 1 A 7 7 LYS CB C 18 32.000 31.728 0.272 1
1 86 . 12 1 1 A 7 7 LYS N N 18 118.800 120.781 -1.981 1
1 87 . 12 1 1 A 8 8 GLU H H 19 7.740 7.949 -0.209 1
1 88 . 12 1 1 A 8 8 GLU HA H 19 4.040 4.135 -0.095 1
1 93 . 12 1 1 A 8 8 GLU C C 19 179.000 179.166 -0.166 1
1 94 . 12 1 1 A 8 8 GLU CA C 19 59.800 59.398 0.402 1
1 95 . 12 1 1 A 8 8 GLU CB C 19 29.100 29.322 -0.222 1
1 97 . 12 1 1 A 8 8 GLU N N 19 121.300 118.057 3.243 1
1 98 . 12 1 1 A 9 9 LYS H H 20 7.500 7.356 0.144 1
1 99 . 12 1 1 A 9 9 LYS HA H 20 3.950 3.984 -0.034 1
1 108 . 12 1 1 A 9 9 LYS C C 20 178.100 179.397 -1.297 1
1 109 . 12 1 1 A 9 9 LYS CA C 20 60.500 59.374 1.126 1
1 110 . 12 1 1 A 9 9 LYS CB C 20 32.200 32.069 0.131 1
1 114 . 12 1 1 A 9 9 LYS N N 20 120.100 119.391 0.709 1
1 115 . 12 1 1 A 10 10 VAL H H 21 8.030 7.449 0.581 1
1 116 . 12 1 1 A 10 10 VAL HA H 21 3.410 3.533 -0.123 1
1 124 . 12 1 1 A 10 10 VAL C C 21 177.400 178.099 -0.699 1
1 125 . 12 1 1 A 10 10 VAL CA C 21 66.600 66.158 0.442 1
1 126 . 12 1 1 A 10 10 VAL CB C 21 31.800 31.679 0.121 1
1 129 . 12 1 1 A 10 10 VAL N N 21 117.300 119.754 -2.454 1
1 130 . 12 1 1 A 11 11 THR H H 22 8.230 7.944 0.286 1
1 131 . 12 1 1 A 11 11 THR HA H 22 3.580 3.693 -0.113 1
1 137 . 12 1 1 A 11 11 THR C C 22 174.700 176.181 -1.481 1
1 138 . 12 1 1 A 11 11 THR CA C 22 68.700 66.820 1.880 1
1 139 . 12 1 1 A 11 11 THR CB C 22 68.500 68.252 0.248 1
1 141 . 12 1 1 A 11 11 THR N N 22 115.700 117.232 -1.532 1
1 142 . 12 1 1 A 12 12 LEU H H 23 7.780 8.251 -0.471 1
1 143 . 12 1 1 A 12 12 LEU HA H 23 3.930 3.960 -0.030 1
1 153 . 12 1 1 A 12 12 LEU C C 23 178.400 178.312 0.088 1
1 154 . 12 1 1 A 12 12 LEU CA C 23 58.500 58.129 0.371 1
1 155 . 12 1 1 A 12 12 LEU CB C 23 42.300 41.606 0.694 1
1 159 . 12 1 1 A 12 12 LEU N N 23 121.400 121.302 0.098 1
1 160 . 12 1 1 A 13 13 TYR H H 24 7.970 8.464 -0.494 1
1 161 . 12 1 1 A 13 13 TYR HA H 24 3.910 4.019 -0.109 1
1 168 . 12 1 1 A 13 13 TYR C C 24 177.400 177.115 0.285 1
1 169 . 12 1 1 A 13 13 TYR CA C 24 61.700 61.343 0.357 1
1 170 . 12 1 1 A 13 13 TYR CB C 24 39.400 38.703 0.697 1
1 175 . 12 1 1 A 13 13 TYR N N 24 119.100 119.432 -0.332 1
1 176 . 12 1 1 A 14 14 LEU H H 25 8.230 8.441 -0.211 1
1 177 . 12 1 1 A 14 14 LEU HA H 25 3.400 3.505 -0.105 1
1 187 . 12 1 1 A 14 14 LEU C C 25 177.200 179.219 -2.019 1
1 188 . 12 1 1 A 14 14 LEU CA C 25 57.600 57.730 -0.130 1
1 189 . 12 1 1 A 14 14 LEU CB C 25 42.200 40.981 1.219 1
1 193 . 12 1 1 A 14 14 LEU N N 25 119.600 119.578 0.022 1
1 194 . 12 1 1 A 15 15 LYS H H 26 8.010 8.076 -0.066 1
1 195 . 12 1 1 A 15 15 LYS HA H 26 3.230 3.812 -0.582 1
1 204 . 12 1 1 A 15 15 LYS C C 26 178.800 178.977 -0.177 1
1 205 . 12 1 1 A 15 15 LYS CA C 26 59.000 59.041 -0.041 1
1 206 . 12 1 1 A 15 15 LYS CB C 26 32.600 31.969 0.631 1
1 210 . 12 1 1 A 15 15 LYS N N 26 117.000 120.115 -3.115 1
1 211 . 12 1 1 A 16 16 HIS H H 27 7.890 7.882 0.008 1
1 212 . 12 1 1 A 16 16 HIS HA H 27 4.030 4.146 -0.116 1
1 217 . 12 1 1 A 16 16 HIS C C 27 175.900 177.007 -1.107 1
1 218 . 12 1 1 A 16 16 HIS CA C 27 59.000 59.921 -0.921 1
1 219 . 12 1 1 A 16 16 HIS CB C 27 30.900 30.340 0.560 1
1 222 . 12 1 1 A 16 16 HIS N N 27 113.200 117.810 -4.610 1
1 223 . 12 1 1 A 17 17 ASN H H 28 6.950 7.461 -0.511 1
1 224 . 12 1 1 A 17 17 ASN HA H 28 4.900 4.364 0.536 1
1 229 . 12 1 1 A 17 17 ASN C C 28 172.900 174.760 -1.860 1
1 230 . 12 1 1 A 17 17 ASN CA C 28 54.100 54.393 -0.293 1
1 231 . 12 1 1 A 17 17 ASN CB C 28 42.500 38.856 3.644 1
1 233 . 12 1 1 A 17 17 ASN N N 28 112.200 113.858 -1.658 1
1 235 . 12 1 1 A 18 18 ILE H H 29 7.310 7.765 -0.455 1
1 236 . 12 1 1 A 18 18 ILE HA H 29 4.560 4.495 0.065 1
1 246 . 12 1 1 A 18 18 ILE CA C 29 58.000 58.020 -0.020 1
1 247 . 12 1 1 A 18 18 ILE CB C 29 38.000 38.650 -0.650 1
1 251 . 12 1 1 A 18 18 ILE N N 29 119.300 119.020 0.280 1
1 252 . 12 1 1 A 19 19 PRO HA H 30 4.170 4.327 -0.157 1
1 259 . 12 1 1 A 19 19 PRO C C 30 178.000 177.483 0.517 1
1 260 . 12 1 1 A 19 19 PRO CA C 30 65.700 65.085 0.615 1
1 261 . 12 1 1 A 19 19 PRO CB C 30 32.100 31.764 0.336 1
1 264 . 12 1 1 A 20 20 ASP H H 31 8.470 8.384 0.086 1
1 265 . 12 1 1 A 20 20 ASP HA H 31 4.790 4.677 0.113 1
1 268 . 12 1 1 A 20 20 ASP C C 31 175.600 175.836 -0.236 1
1 269 . 12 1 1 A 20 20 ASP CA C 31 53.800 53.964 -0.164 1
1 270 . 12 1 1 A 20 20 ASP CB C 31 39.600 40.527 -0.927 1
1 271 . 12 1 1 A 20 20 ASP N N 31 113.700 117.093 -3.393 1
1 272 . 12 1 1 A 21 21 PHE H H 32 7.890 7.859 0.031 1
1 273 . 12 1 1 A 21 21 PHE HA H 32 3.810 4.301 -0.491 1
1 281 . 12 1 1 A 21 21 PHE C C 32 174.200 175.237 -1.037 1
1 282 . 12 1 1 A 21 21 PHE CA C 32 61.100 59.600 1.500 1
1 283 . 12 1 1 A 21 21 PHE CB C 32 39.900 39.667 0.233 1
1 289 . 12 1 1 A 21 21 PHE N N 32 122.200 123.590 -1.390 1
1 290 . 12 1 1 A 22 22 ASN H H 33 9.380 8.605 0.775 1
1 291 . 12 1 1 A 22 22 ASN HA H 33 4.680 4.556 0.124 1
1 296 . 12 1 1 A 22 22 ASN C C 33 173.600 173.603 -0.003 1
1 297 . 12 1 1 A 22 22 ASN CA C 33 54.600 54.334 0.266 1
1 298 . 12 1 1 A 22 22 ASN CB C 33 41.700 40.547 1.153 1
1 300 . 12 1 1 A 22 22 ASN N N 33 126.600 125.593 1.007 1
1 302 . 12 1 1 A 23 23 THR H H 34 7.010 7.226 -0.216 1
1 303 . 12 1 1 A 23 23 THR HA H 34 4.280 4.396 -0.116 1
1 308 . 12 1 1 A 23 23 THR C C 34 171.100 171.550 -0.450 1
1 309 . 12 1 1 A 23 23 THR CA C 34 60.300 60.300 0.000 1
1 310 . 12 1 1 A 23 23 THR CB C 34 71.100 70.872 0.228 1
1 312 . 12 1 1 A 23 23 THR N N 34 109.600 111.058 -1.458 1
1 313 . 12 1 1 A 24 24 VAL H H 35 8.290 9.045 -0.755 1
1 314 . 12 1 1 A 24 24 VAL HA H 35 4.850 5.134 -0.284 1
1 322 . 12 1 1 A 24 24 VAL C C 35 171.400 173.341 -1.941 1
1 323 . 12 1 1 A 24 24 VAL CA C 35 59.300 59.929 -0.629 1
1 324 . 12 1 1 A 24 24 VAL CB C 35 35.500 34.792 0.708 1
1 327 . 12 1 1 A 24 24 VAL N N 35 119.500 123.740 -4.240 1
1 328 . 12 1 1 A 25 25 THR H H 36 8.200 8.884 -0.684 1
1 329 . 12 1 1 A 25 25 THR HA H 36 4.150 4.850 -0.700 1
1 334 . 12 1 1 A 25 25 THR C C 36 171.900 173.447 -1.547 1
1 335 . 12 1 1 A 25 25 THR CA C 36 61.100 60.807 0.293 1
1 336 . 12 1 1 A 25 25 THR CB C 36 70.900 70.123 0.777 1
1 338 . 12 1 1 A 25 25 THR N N 36 125.200 123.266 1.934 1
1 339 . 12 1 1 A 26 26 PHE H H 37 8.900 8.876 0.024 1
1 340 . 12 1 1 A 26 26 PHE HA H 37 5.140 4.839 0.301 1
1 348 . 12 1 1 A 26 26 PHE C C 37 176.900 176.162 0.738 1
1 349 . 12 1 1 A 26 26 PHE CA C 37 58.100 57.019 1.081 1
1 350 . 12 1 1 A 26 26 PHE CB C 37 39.900 40.897 -0.997 1
1 356 . 12 1 1 A 26 26 PHE N N 37 124.500 126.074 -1.574 1
1 357 . 12 1 1 A 27 27 THR H H 38 9.090 9.013 0.077 1
1 358 . 12 1 1 A 27 27 THR HA H 38 4.430 4.591 -0.161 1
1 363 . 12 1 1 A 27 27 THR C C 38 174.800 174.669 0.131 1
1 364 . 12 1 1 A 27 27 THR CA C 38 61.600 62.152 -0.552 1
1 365 . 12 1 1 A 27 27 THR CB C 38 69.400 70.061 -0.661 1
1 367 . 12 1 1 A 27 27 THR N N 38 114.000 112.646 1.354 1
1 368 . 12 1 1 A 28 28 ASN H H 39 7.880 7.668 0.212 1
1 369 . 12 1 1 A 28 28 ASN HA H 39 4.780 5.162 -0.382 1
1 374 . 12 1 1 A 28 28 ASN C C 39 173.700 173.731 -0.031 1
1 375 . 12 1 1 A 28 28 ASN CA C 39 54.100 52.451 1.649 1
1 376 . 12 1 1 A 28 28 ASN CB C 39 40.800 42.148 -1.348 1
1 378 . 12 1 1 A 28 28 ASN N N 39 118.900 118.889 0.011 1
1 380 . 12 1 1 A 29 29 GLU H H 40 8.150 8.808 -0.658 1
1 381 . 12 1 1 A 29 29 GLU HA H 40 4.560 5.059 -0.499 1
1 386 . 12 1 1 A 29 29 GLU C C 40 174.800 174.923 -0.123 1
1 387 . 12 1 1 A 29 29 GLU CA C 40 55.600 55.773 -0.173 1
1 388 . 12 1 1 A 29 29 GLU CB C 40 30.500 30.420 0.080 1
1 390 . 12 1 1 A 29 29 GLU N N 40 121.700 125.306 -3.606 1
1 391 . 12 1 1 A 30 30 GLU H H 41 8.410 7.947 0.463 1
1 392 . 12 1 1 A 30 30 GLU HA H 41 4.410 4.832 -0.422 1
1 397 . 12 1 1 A 30 30 GLU C C 41 175.100 175.425 -0.325 1
1 398 . 12 1 1 A 30 30 GLU CA C 41 55.400 55.465 -0.065 1
1 399 . 12 1 1 A 30 30 GLU CB C 41 32.200 31.889 0.311 1
1 401 . 12 1 1 A 30 30 GLU N N 41 120.500 118.272 2.228 1
1 402 . 12 1 1 A 31 31 PHE H H 42 8.570 8.954 -0.384 1
1 403 . 12 1 1 A 31 31 PHE HA H 42 4.820 4.120 0.700 1
1 411 . 12 1 1 A 31 31 PHE C C 42 174.800 174.451 0.349 1
1 412 . 12 1 1 A 31 31 PHE CA C 42 57.800 58.894 -1.094 1
1 413 . 12 1 1 A 31 31 PHE CB C 42 40.200 37.507 2.693 1
1 419 . 12 1 1 A 31 31 PHE N N 42 120.700 120.584 0.116 1
1 420 . 12 1 1 A 32 32 ASN H H 43 8.350 7.801 0.549 1
1 421 . 12 1 1 A 32 32 ASN HA H 43 4.950 4.857 0.093 1
1 426 . 12 1 1 A 32 32 ASN CA C 43 51.600 50.330 1.270 1
1 427 . 12 1 1 A 32 32 ASN CB C 43 39.300 40.817 -1.517 1
1 429 . 12 1 1 A 32 32 ASN N N 43 122.000 123.710 -1.710 1
1 431 . 12 1 1 A 33 33 PRO HA H 44 4.260 4.197 0.063 1
1 438 . 12 1 1 A 33 33 PRO C C 44 177.400 177.761 -0.361 1
1 439 . 12 1 1 A 33 33 PRO CA C 44 65.300 65.488 -0.188 1
1 440 . 12 1 1 A 33 33 PRO CB C 44 32.200 31.840 0.360 1
1 443 . 12 1 1 A 34 34 ILE H H 45 7.840 7.394 0.446 1
1 444 . 12 1 1 A 34 34 ILE HA H 45 4.240 3.897 0.343 1
1 454 . 12 1 1 A 34 34 ILE C C 45 176.400 176.017 0.383 1
1 455 . 12 1 1 A 34 34 ILE CA C 45 61.000 63.274 -2.274 1
1 456 . 12 1 1 A 34 34 ILE CB C 45 38.600 38.705 -0.105 1
1 460 . 12 1 1 A 34 34 ILE N N 45 113.700 116.498 -2.798 1
1 461 . 12 1 1 A 35 35 GLY H H 46 7.860 7.239 0.621 1
1 462 . 12 1 1 A 35 35 GLY HA2 H 46 3.870 4.076 -0.206 1
1 463 . 12 1 1 A 35 35 GLY HA3 H 46 4.130 4.091 0.039 1
1 464 . 12 1 1 A 35 35 GLY C C 46 172.700 172.239 0.461 1
1 465 . 12 1 1 A 35 35 GLY CA C 46 45.900 46.160 -0.260 1
1 466 . 12 1 1 A 35 35 GLY N N 46 111.900 108.998 2.902 1
1 467 . 12 1 1 A 36 36 ILE H H 47 8.180 8.415 -0.235 1
1 468 . 12 1 1 A 36 36 ILE HA H 47 4.720 5.059 -0.339 1
1 478 . 12 1 1 A 36 36 ILE C C 47 174.900 173.861 1.039 1
1 479 . 12 1 1 A 36 36 ILE CA C 47 60.500 58.761 1.739 1
1 480 . 12 1 1 A 36 36 ILE CB C 47 40.800 42.588 -1.788 1
1 484 . 12 1 1 A 36 36 ILE N N 47 118.300 118.947 -0.647 1
1 485 . 12 1 1 A 37 37 SER H H 48 8.430 9.306 -0.876 1
1 486 . 12 1 1 A 37 37 SER HA H 48 4.990 5.492 -0.502 1
1 489 . 12 1 1 A 37 37 SER C C 48 172.900 172.995 -0.095 1
1 490 . 12 1 1 A 37 37 SER CA C 48 57.800 56.550 1.250 1
1 491 . 12 1 1 A 37 37 SER CB C 48 65.600 64.999 0.601 1
1 492 . 12 1 1 A 37 37 SER N N 48 116.700 118.640 -1.940 1
1 493 . 12 1 1 A 38 38 ILE H H 49 9.150 9.552 -0.402 1
1 494 . 12 1 1 A 38 38 ILE HA H 49 4.720 5.194 -0.474 1
1 504 . 12 1 1 A 38 38 ILE C C 49 173.900 174.816 -0.916 1
1 505 . 12 1 1 A 38 38 ILE CA C 49 60.600 60.585 0.015 1
1 506 . 12 1 1 A 38 38 ILE CB C 49 41.000 39.006 1.994 1
1 510 . 12 1 1 A 38 38 ILE N N 49 124.300 128.458 -4.158 1
1 511 . 12 1 1 A 39 39 ASP H H 50 8.700 9.118 -0.418 1
1 512 . 12 1 1 A 39 39 ASP HA H 50 5.540 5.582 -0.042 1
1 515 . 12 1 1 A 39 39 ASP C C 50 176.200 175.933 0.267 1
1 516 . 12 1 1 A 39 39 ASP CA C 50 52.300 52.215 0.085 1
1 517 . 12 1 1 A 39 39 ASP CB C 50 44.300 43.776 0.524 1
1 518 . 12 1 1 A 39 39 ASP N N 50 126.600 126.139 0.461 1
1 519 . 12 1 1 A 40 40 GLY H H 51 7.100 7.150 -0.050 1
1 520 . 12 1 1 A 40 40 GLY HA2 H 51 3.780 3.759 0.021 1
1 521 . 12 1 1 A 40 40 GLY HA3 H 51 4.070 3.974 0.096 1
1 522 . 12 1 1 A 40 40 GLY C C 51 170.100 171.185 -1.085 1
1 523 . 12 1 1 A 40 40 GLY CA C 51 47.200 45.720 1.480 1
1 524 . 12 1 1 A 40 40 GLY N N 51 106.400 108.880 -2.480 1
1 525 . 12 1 1 A 41 41 TYR H H 52 8.390 8.253 0.137 1
1 526 . 12 1 1 A 41 41 TYR HA H 52 5.530 6.005 -0.475 1
1 533 . 12 1 1 A 41 41 TYR C C 52 175.200 173.336 1.864 1
1 534 . 12 1 1 A 41 41 TYR CA C 52 56.000 56.138 -0.138 1
1 535 . 12 1 1 A 41 41 TYR CB C 52 39.200 42.241 -3.041 1
1 540 . 12 1 1 A 41 41 TYR N N 52 113.900 115.413 -1.513 1
1 541 . 12 1 1 A 42 42 ILE H H 53 8.420 8.468 -0.048 1
1 542 . 12 1 1 A 42 42 ILE HA H 53 5.450 4.979 0.471 1
1 552 . 12 1 1 A 42 42 ILE C C 53 174.500 175.217 -0.717 1
1 553 . 12 1 1 A 42 42 ILE CA C 53 59.300 59.510 -0.210 1
1 554 . 12 1 1 A 42 42 ILE CB C 53 40.700 41.076 -0.376 1
1 558 . 12 1 1 A 42 42 ILE N N 53 113.200 117.228 -4.028 1
1 559 . 12 1 1 A 43 43 ASN H H 54 8.760 9.181 -0.421 1
1 560 . 12 1 1 A 43 43 ASN HA H 54 4.120 4.411 -0.291 1
1 565 . 12 1 1 A 43 43 ASN C C 54 173.900 174.563 -0.663 1
1 566 . 12 1 1 A 43 43 ASN CA C 54 53.300 54.623 -1.323 1
1 567 . 12 1 1 A 43 43 ASN CB C 54 35.500 37.022 -1.522 1
1 569 . 12 1 1 A 43 43 ASN N N 54 116.700 118.961 -2.261 1
1 571 . 12 1 1 A 44 44 ASN H H 55 9.270 8.664 0.606 1
1 572 . 12 1 1 A 44 44 ASN HA H 55 4.260 4.481 -0.221 1
1 577 . 12 1 1 A 44 44 ASN C C 55 173.600 173.682 -0.082 1
1 578 . 12 1 1 A 44 44 ASN CA C 55 54.800 54.797 0.003 1
1 579 . 12 1 1 A 44 44 ASN CB C 55 38.100 37.359 0.741 1
1 581 . 12 1 1 A 44 44 ASN N N 55 110.300 108.771 1.529 1
1 583 . 12 1 1 A 45 45 ASP H H 56 8.100 8.183 -0.083 1
1 584 . 12 1 1 A 45 45 ASP HA H 56 4.760 4.830 -0.070 1
1 587 . 12 1 1 A 45 45 ASP C C 56 175.900 176.161 -0.261 1
1 588 . 12 1 1 A 45 45 ASP CA C 56 52.600 53.289 -0.689 1
1 589 . 12 1 1 A 45 45 ASP CB C 56 42.000 41.767 0.233 1
1 590 . 12 1 1 A 45 45 ASP N N 56 119.500 118.521 0.979 1
1 591 . 12 1 1 A 46 46 LYS H H 57 8.260 8.646 -0.386 1
1 592 . 12 1 1 A 46 46 LYS HA H 57 2.760 3.580 -0.820 1
1 601 . 12 1 1 A 46 46 LYS C C 57 177.100 178.409 -1.309 1
1 602 . 12 1 1 A 46 46 LYS CA C 57 58.400 59.454 -1.054 1
1 603 . 12 1 1 A 46 46 LYS CB C 57 31.700 32.006 -0.306 1
1 607 . 12 1 1 A 46 46 LYS N N 57 124.100 125.623 -1.523 1
1 608 . 12 1 1 A 47 47 ASN H H 58 8.610 8.043 0.567 1
1 609 . 12 1 1 A 47 47 ASN HA H 58 4.620 4.531 0.089 1
1 614 . 12 1 1 A 47 47 ASN C C 58 177.000 176.720 0.280 1
1 615 . 12 1 1 A 47 47 ASN CA C 58 54.400 56.247 -1.847 1
1 616 . 12 1 1 A 47 47 ASN CB C 58 38.500 38.428 0.072 1
1 618 . 12 1 1 A 47 47 ASN N N 58 114.800 117.224 -2.424 1
1 620 . 12 1 1 A 48 48 LEU H H 59 8.470 7.557 0.913 1
1 621 . 12 1 1 A 48 48 LEU HA H 59 4.470 4.543 -0.073 1
1 631 . 12 1 1 A 48 48 LEU C C 59 175.300 175.532 -0.232 1
1 632 . 12 1 1 A 48 48 LEU CA C 59 52.800 54.305 -1.505 1
1 633 . 12 1 1 A 48 48 LEU CB C 59 39.100 40.172 -1.072 1
1 637 . 12 1 1 A 48 48 LEU N N 59 125.800 120.286 5.514 1
1 638 . 12 1 1 A 49 49 SER H H 60 7.270 8.738 -1.468 1
1 639 . 12 1 1 A 49 49 SER HA H 60 5.230 5.669 -0.439 1
1 642 . 12 1 1 A 49 49 SER C C 60 173.200 173.407 -0.207 1
1 643 . 12 1 1 A 49 49 SER CA C 60 56.900 56.444 0.456 1
1 644 . 12 1 1 A 49 49 SER CB C 60 66.500 66.094 0.406 1
1 645 . 12 1 1 A 49 49 SER N N 60 112.400 120.048 -7.648 1
1 646 . 12 1 1 A 50 50 PHE H H 61 8.260 8.717 -0.457 1
1 647 . 12 1 1 A 50 50 PHE HA H 61 5.490 5.592 -0.102 1
1 655 . 12 1 1 A 50 50 PHE C C 61 174.500 173.014 1.486 1
1 656 . 12 1 1 A 50 50 PHE CA C 61 56.300 55.981 0.319 1
1 657 . 12 1 1 A 50 50 PHE CB C 61 44.600 42.851 1.749 1
1 663 . 12 1 1 A 50 50 PHE N N 61 114.200 119.041 -4.841 1
1 664 . 12 1 1 A 51 51 THR H H 62 8.520 8.789 -0.269 1
1 665 . 12 1 1 A 51 51 THR HA H 62 5.140 5.535 -0.395 1
1 670 . 12 1 1 A 51 51 THR C C 62 172.600 173.579 -0.979 1
1 671 . 12 1 1 A 51 51 THR CA C 62 62.000 61.218 0.782 1
1 672 . 12 1 1 A 51 51 THR CB C 62 72.000 71.949 0.051 1
1 674 . 12 1 1 A 51 51 THR N N 62 116.000 115.539 0.461 1
1 675 . 12 1 1 A 52 52 ALA H H 63 9.870 9.023 0.847 1
1 676 . 12 1 1 A 52 52 ALA HA H 63 5.180 5.359 -0.179 1
1 680 . 12 1 1 A 52 52 ALA C C 63 176.300 175.833 0.467 1
1 681 . 12 1 1 A 52 52 ALA CA C 63 50.300 50.607 -0.307 1
1 682 . 12 1 1 A 52 52 ALA CB C 63 24.000 22.697 1.303 1
1 683 . 12 1 1 A 52 52 ALA N N 63 130.400 128.118 2.282 1
1 684 . 12 1 1 A 53 53 GLY H H 64 8.340 8.719 -0.379 1
1 685 . 12 1 1 A 53 53 GLY HA2 H 64 3.630 4.105 -0.475 1
1 686 . 12 1 1 A 53 53 GLY HA3 H 64 4.830 4.118 0.712 1
1 687 . 12 1 1 A 53 53 GLY C C 64 173.200 174.613 -1.413 1
1 688 . 12 1 1 A 53 53 GLY CA C 64 43.200 45.847 -2.647 1
1 689 . 12 1 1 A 53 53 GLY N N 64 107.100 110.555 -3.455 1
1 690 . 12 1 1 A 54 54 LYS H H 65 8.430 9.102 -0.672 1
1 691 . 12 1 1 A 54 54 LYS HA H 65 3.750 4.124 -0.374 1
1 700 . 12 1 1 A 54 54 LYS CA C 65 58.300 59.322 -1.022 1
1 701 . 12 1 1 A 54 54 LYS CB C 65 32.600 32.134 0.466 1
1 705 . 12 1 1 A 54 54 LYS N N 65 119.300 125.019 -5.719 1
1 708 . 12 1 1 A 55 55 ASP C C 66 172.900 177.018 -4.118 1
1 709 . 12 1 1 A 56 56 VAL H H 67 8.510 8.599 -0.089 1
1 710 . 12 1 1 A 56 56 VAL HA H 67 3.100 3.871 -0.771 1
1 718 . 12 1 1 A 56 56 VAL C C 67 176.400 177.461 -1.061 1
1 719 . 12 1 1 A 56 56 VAL CA C 67 62.800 65.196 -2.396 1
1 720 . 12 1 1 A 56 56 VAL CB C 67 30.400 31.116 -0.716 1
1 723 . 12 1 1 A 56 56 VAL N N 67 112.700 122.550 -9.850 1
1 724 . 12 1 1 A 57 57 LYS H H 68 7.580 7.848 -0.268 1
1 725 . 12 1 1 A 57 57 LYS HA H 68 4.000 4.263 -0.263 1
1 734 . 12 1 1 A 57 57 LYS C C 68 176.700 176.776 -0.076 1
1 735 . 12 1 1 A 57 57 LYS CA C 68 58.400 59.398 -0.998 1
1 736 . 12 1 1 A 57 57 LYS CB C 68 32.100 32.526 -0.426 1
1 740 . 12 1 1 A 57 57 LYS N N 68 118.700 119.940 -1.240 1
1 741 . 12 1 1 A 58 58 ILE H H 69 7.160 7.804 -0.644 1
1 742 . 12 1 1 A 58 58 ILE HA H 69 4.270 4.458 -0.188 1
1 752 . 12 1 1 A 58 58 ILE C C 69 174.300 175.358 -1.058 1
1 753 . 12 1 1 A 58 58 ILE CA C 69 59.900 60.372 -0.472 1
1 754 . 12 1 1 A 58 58 ILE CB C 69 41.000 39.401 1.599 1
1 758 . 12 1 1 A 58 58 ILE N N 69 115.700 119.535 -3.835 1
1 759 . 12 1 1 A 59 59 PHE H H 70 8.560 8.498 0.062 1
1 760 . 12 1 1 A 59 59 PHE HA H 70 4.890 5.608 -0.718 1
1 765 . 12 1 1 A 59 59 PHE C C 70 173.500 172.189 1.311 1
1 766 . 12 1 1 A 59 59 PHE CA C 70 58.700 55.546 3.154 1
1 767 . 12 1 1 A 59 59 PHE CB C 70 42.400 42.570 -0.170 1
1 770 . 12 1 1 A 59 59 PHE N N 70 127.500 124.009 3.491 1
1 771 . 12 1 1 A 60 60 SER H H 71 8.430 9.551 -1.121 1
1 772 . 12 1 1 A 60 60 SER HA H 71 4.850 5.423 -0.573 1
1 775 . 12 1 1 A 60 60 SER C C 71 172.100 172.926 -0.826 1
1 776 . 12 1 1 A 60 60 SER CA C 71 56.900 56.499 0.401 1
1 777 . 12 1 1 A 60 60 SER CB C 71 65.000 65.204 -0.204 1
1 778 . 12 1 1 A 60 60 SER N N 71 124.200 115.976 8.224 1
1 779 . 12 1 1 A 61 61 SER H H 72 8.630 8.801 -0.171 1
1 780 . 12 1 1 A 61 61 SER HA H 72 5.380 5.507 -0.127 1
1 783 . 12 1 1 A 61 61 SER C C 72 174.700 173.158 1.542 1
1 784 . 12 1 1 A 61 61 SER CA C 72 57.400 56.814 0.586 1
1 785 . 12 1 1 A 61 61 SER CB C 72 68.200 66.188 2.012 1
1 786 . 12 1 1 A 61 61 SER N N 72 116.900 121.655 -4.755 1
1 787 . 12 1 1 A 62 62 SER H H 73 8.810 9.126 -0.316 1
1 788 . 12 1 1 A 62 62 SER HA H 73 4.570 4.682 -0.112 1
1 792 . 12 1 1 A 62 62 SER C C 73 175.000 176.000 -1.000 1
1 793 . 12 1 1 A 62 62 SER CA C 73 57.600 58.011 -0.411 1
1 794 . 12 1 1 A 62 62 SER CB C 73 65.400 64.761 0.639 1
1 795 . 12 1 1 A 62 62 SER N N 73 117.000 120.071 -3.071 1
1 796 . 12 1 1 A 63 63 GLU H H 74 9.240 9.081 0.159 1
1 797 . 12 1 1 A 63 63 GLU HA H 74 4.140 4.098 0.042 1
1 802 . 12 1 1 A 63 63 GLU C C 74 179.000 178.883 0.117 1
1 803 . 12 1 1 A 63 63 GLU CA C 74 60.100 59.334 0.766 1
1 804 . 12 1 1 A 63 63 GLU CB C 74 29.600 29.322 0.278 1
1 806 . 12 1 1 A 63 63 GLU N N 74 123.600 122.850 0.750 1
1 807 . 12 1 1 A 64 64 GLU H H 75 8.970 8.149 0.821 1
1 808 . 12 1 1 A 64 64 GLU HA H 75 3.950 4.086 -0.136 1
1 813 . 12 1 1 A 64 64 GLU C C 75 179.000 178.798 0.202 1
1 814 . 12 1 1 A 64 64 GLU CA C 75 60.100 59.150 0.950 1
1 815 . 12 1 1 A 64 64 GLU CB C 75 29.500 29.523 -0.023 1
1 817 . 12 1 1 A 64 64 GLU N N 75 117.000 119.786 -2.786 1
1 818 . 12 1 1 A 65 65 LEU H H 76 7.740 7.939 -0.199 1
1 819 . 12 1 1 A 65 65 LEU HA H 76 4.330 4.329 0.001 1
1 829 . 12 1 1 A 65 65 LEU C C 76 178.900 178.155 0.745 1
1 830 . 12 1 1 A 65 65 LEU CA C 76 57.500 57.063 0.437 1
1 831 . 12 1 1 A 65 65 LEU CB C 76 41.800 42.482 -0.682 1
1 835 . 12 1 1 A 65 65 LEU N N 76 119.900 121.508 -1.608 1
1 836 . 12 1 1 A 66 66 ASP H H 77 8.620 8.482 0.138 1
1 837 . 12 1 1 A 66 66 ASP HA H 77 4.580 4.402 0.178 1
1 840 . 12 1 1 A 66 66 ASP C C 77 178.800 178.479 0.321 1
1 841 . 12 1 1 A 66 66 ASP CA C 77 58.300 58.115 0.185 1
1 842 . 12 1 1 A 66 66 ASP CB C 77 42.100 41.079 1.021 1
1 843 . 12 1 1 A 66 66 ASP N N 77 120.300 119.783 0.517 1
1 844 . 12 1 1 A 67 67 LYS H H 78 7.210 8.053 -0.843 1
1 845 . 12 1 1 A 67 67 LYS HA H 78 4.240 4.227 0.013 1
1 854 . 12 1 1 A 67 67 LYS C C 78 177.400 177.528 -0.128 1
1 855 . 12 1 1 A 67 67 LYS CA C 78 58.000 58.690 -0.690 1
1 856 . 12 1 1 A 67 67 LYS CB C 78 33.000 31.375 1.625 1
1 860 . 12 1 1 A 67 67 LYS N N 78 113.200 117.812 -4.612 1
1 861 . 12 1 1 A 68 68 MET H H 79 8.210 8.189 0.021 1
1 862 . 12 1 1 A 68 68 MET HA H 79 4.270 4.591 -0.321 1
1 870 . 12 1 1 A 68 68 MET C C 79 176.800 176.652 0.148 1
1 871 . 12 1 1 A 68 68 MET CA C 79 56.800 55.291 1.509 1
1 872 . 12 1 1 A 68 68 MET CB C 79 33.900 31.692 2.208 1
1 875 . 12 1 1 A 68 68 MET N N 79 116.400 117.891 -1.491 1
1 876 . 12 1 1 A 69 69 PHE H H 80 7.330 7.774 -0.444 1
1 877 . 12 1 1 A 69 69 PHE HA H 80 4.300 4.746 -0.446 1
1 882 . 12 1 1 A 69 69 PHE C C 80 176.900 175.566 1.334 1
1 883 . 12 1 1 A 69 69 PHE CA C 80 59.300 59.813 -0.513 1
1 884 . 12 1 1 A 69 69 PHE CB C 80 40.600 39.342 1.258 1
1 887 . 12 1 1 A 69 69 PHE N N 80 118.100 119.658 -1.558 1
1 888 . 12 1 1 A 70 70 GLN H H 81 8.540 8.756 -0.216 1
1 889 . 12 1 1 A 70 70 GLN HA H 81 4.450 4.508 -0.058 1
1 896 . 12 1 1 A 70 70 GLN C C 81 174.200 175.432 -1.232 1
1 897 . 12 1 1 A 70 70 GLN CA C 81 55.000 56.945 -1.945 1
1 898 . 12 1 1 A 70 70 GLN CB C 81 29.400 30.719 -1.319 1
1 901 . 12 1 1 A 70 70 GLN N N 81 121.600 125.439 -3.839 1
1 903 . 12 1 1 A 71 71 GLU H H 82 8.340 7.830 0.510 1
1 904 . 12 1 1 A 71 71 GLU HA H 82 4.780 4.577 0.203 1
1 909 . 12 1 1 A 71 71 GLU CA C 82 53.100 54.111 -1.011 1
1 910 . 12 1 1 A 71 71 GLU CB C 82 30.600 28.923 1.677 1
1 912 . 12 1 1 A 71 71 GLU N N 82 122.900 118.527 4.373 1
1 913 . 12 1 1 A 72 72 PRO HA H 83 4.880 4.511 0.369 1
1 920 . 12 1 1 A 72 72 PRO C C 83 176.200 176.378 -0.178 1
1 921 . 12 1 1 A 72 72 PRO CA C 83 62.100 63.013 -0.913 1
1 922 . 12 1 1 A 72 72 PRO CB C 83 33.800 31.800 2.000 1
1 925 . 12 1 1 A 73 73 ARG H H 84 8.580 8.448 0.132 1
1 926 . 12 1 1 A 73 73 ARG HA H 84 4.390 4.546 -0.156 1
1 934 . 12 1 1 A 73 73 ARG C C 84 176.000 175.033 0.967 1
1 935 . 12 1 1 A 73 73 ARG CA C 84 56.000 56.628 -0.628 1
1 936 . 12 1 1 A 73 73 ARG CB C 84 31.100 30.842 0.258 1
1 940 . 12 1 1 A 73 73 ARG N N 84 123.400 122.410 0.990 1
1 942 . 12 1 1 A 74 74 LYS H H 85 9.080 8.902 0.178 1
1 943 . 12 1 1 A 74 74 LYS HA H 85 4.540 5.071 -0.531 1
1 952 . 12 1 1 A 74 74 LYS C C 85 176.500 176.829 -0.329 1
1 953 . 12 1 1 A 74 74 LYS CA C 85 55.000 54.785 0.215 1
1 954 . 12 1 1 A 74 74 LYS CB C 85 34.900 36.421 -1.521 1
1 958 . 12 1 1 A 74 74 LYS N N 85 123.300 126.297 -2.997 1
1 959 . 12 1 1 A 75 75 GLY H H 86 8.870 8.824 0.046 1
1 960 . 12 1 1 A 75 75 GLY HA2 H 86 3.930 4.223 -0.293 1
1 961 . 12 1 1 A 75 75 GLY HA3 H 86 4.350 4.306 0.044 1
1 962 . 12 1 1 A 75 75 GLY C C 86 174.000 174.935 -0.935 1
1 963 . 12 1 1 A 75 75 GLY CA C 86 44.600 44.739 -0.139 1
1 964 . 12 1 1 A 75 75 GLY N N 86 108.700 110.196 -1.496 1
1 965 . 12 1 1 A 76 76 TYR H H 87 8.880 9.162 -0.282 1
1 966 . 12 1 1 A 76 76 TYR HA H 87 3.930 4.100 -0.170 1
1 973 . 12 1 1 A 76 76 TYR C C 87 175.800 177.593 -1.793 1
1 974 . 12 1 1 A 76 76 TYR CA C 87 62.900 61.417 1.483 1
1 975 . 12 1 1 A 76 76 TYR CB C 87 38.700 38.784 -0.084 1
1 980 . 12 1 1 A 76 76 TYR N N 87 120.400 120.968 -0.568 1
1 981 . 12 1 1 A 77 77 ASP H H 88 8.450 8.802 -0.352 1
1 982 . 12 1 1 A 77 77 ASP HA H 88 4.000 4.242 -0.242 1
1 985 . 12 1 1 A 77 77 ASP C C 88 178.200 178.278 -0.078 1
1 986 . 12 1 1 A 77 77 ASP CA C 88 57.000 56.790 0.210 1
1 987 . 12 1 1 A 77 77 ASP CB C 88 39.600 39.809 -0.209 1
1 988 . 12 1 1 A 77 77 ASP N N 88 115.800 118.887 -3.087 1
1 989 . 12 1 1 A 78 78 GLU H H 89 7.520 8.075 -0.555 1
1 990 . 12 1 1 A 78 78 GLU HA H 89 4.020 4.217 -0.197 1
1 995 . 12 1 1 A 78 78 GLU C C 89 178.500 179.671 -1.171 1
1 996 . 12 1 1 A 78 78 GLU CA C 89 58.500 59.242 -0.742 1
1 997 . 12 1 1 A 78 78 GLU CB C 89 30.100 29.569 0.531 1
1 999 . 12 1 1 A 78 78 GLU N N 89 119.600 120.785 -1.185 1
1 1000 . 12 1 1 A 79 79 ILE H H 90 7.850 7.705 0.145 1
1 1001 . 12 1 1 A 79 79 ILE HA H 90 3.300 3.869 -0.569 1
1 1011 . 12 1 1 A 79 79 ILE C C 90 177.700 178.094 -0.394 1
1 1012 . 12 1 1 A 79 79 ILE CA C 90 64.600 64.534 0.066 1
1 1013 . 12 1 1 A 79 79 ILE CB C 90 37.700 37.317 0.383 1
1 1017 . 12 1 1 A 79 79 ILE N N 90 121.700 118.113 3.587 1
1 1018 . 12 1 1 A 80 80 LEU H H 91 7.710 7.816 -0.106 1
1 1019 . 12 1 1 A 80 80 LEU HA H 91 3.780 3.840 -0.060 1
1 1029 . 12 1 1 A 80 80 LEU C C 91 178.600 179.375 -0.775 1
1 1030 . 12 1 1 A 80 80 LEU CA C 91 56.900 58.074 -1.174 1
1 1031 . 12 1 1 A 80 80 LEU CB C 91 41.600 41.002 0.598 1
1 1035 . 12 1 1 A 80 80 LEU N N 91 120.500 121.563 -1.063 1
1 1036 . 12 1 1 A 81 81 GLU H H 92 7.620 7.859 -0.239 1
1 1037 . 12 1 1 A 81 81 GLU HA H 92 3.960 4.051 -0.091 1
1 1042 . 12 1 1 A 81 81 GLU C C 92 177.400 177.650 -0.250 1
1 1043 . 12 1 1 A 81 81 GLU CA C 92 58.300 59.731 -1.431 1
1 1044 . 12 1 1 A 81 81 GLU CB C 92 29.700 29.392 0.308 1
1 1046 . 12 1 1 A 81 81 GLU N N 92 118.100 117.769 0.331 1
1 1047 . 12 1 1 A 82 82 HIS H H 93 7.840 8.129 -0.289 1
1 1048 . 12 1 1 A 82 82 HIS HA H 93 4.440 4.766 -0.326 1
1 1051 . 12 1 1 A 82 82 HIS C C 93 175.600 174.654 0.946 1
1 1052 . 12 1 1 A 82 82 HIS CA C 93 57.000 55.434 1.566 1
1 1053 . 12 1 1 A 82 82 HIS CB C 93 29.800 28.778 1.022 1
1 1054 . 12 1 1 A 82 82 HIS N N 93 116.900 118.207 -1.307 1
1 1055 . 12 1 1 A 83 83 HIS H H 94 8.080 9.006 -0.926 1
1 1056 . 12 1 1 A 83 83 HIS HA H 94 4.480 4.790 -0.310 1
1 1059 . 12 1 1 A 83 83 HIS CA C 94 56.700 56.659 0.041 1
1 1060 . 12 1 1 A 83 83 HIS CB C 94 29.900 30.818 -0.918 1
1 1 . 13 1 1 A 2 2 PHE HA H 13 4.400 4.157 0.243 1
1 9 . 13 1 1 A 2 2 PHE C C 13 176.400 177.375 -0.975 1
1 10 . 13 1 1 A 2 2 PHE CA C 13 60.700 61.285 -0.585 1
1 11 . 13 1 1 A 2 2 PHE CB C 13 39.700 38.700 1.000 1
1 17 . 13 1 1 A 3 3 PHE H H 14 9.000 8.190 0.810 1
1 18 . 13 1 1 A 3 3 PHE HA H 14 4.000 4.116 -0.116 1
1 25 . 13 1 1 A 3 3 PHE C C 14 177.400 178.036 -0.636 1
1 26 . 13 1 1 A 3 3 PHE CA C 14 61.400 61.993 -0.593 1
1 27 . 13 1 1 A 3 3 PHE CB C 14 38.400 38.222 0.178 1
1 32 . 13 1 1 A 3 3 PHE N N 14 118.700 117.826 0.874 1
1 33 . 13 1 1 A 4 4 ASN H H 15 8.000 8.103 -0.103 1
1 34 . 13 1 1 A 4 4 ASN HA H 15 4.250 4.187 0.063 1
1 39 . 13 1 1 A 4 4 ASN C C 15 177.300 177.683 -0.383 1
1 40 . 13 1 1 A 4 4 ASN CA C 15 56.400 56.394 0.006 1
1 41 . 13 1 1 A 4 4 ASN CB C 15 38.000 37.714 0.286 1
1 43 . 13 1 1 A 4 4 ASN N N 15 118.300 117.111 1.189 1
1 45 . 13 1 1 A 5 5 GLU H H 16 8.080 7.950 0.130 1
1 46 . 13 1 1 A 5 5 GLU HA H 16 3.970 3.939 0.031 1
1 51 . 13 1 1 A 5 5 GLU C C 16 179.600 178.546 1.054 1
1 52 . 13 1 1 A 5 5 GLU CA C 16 59.200 59.338 -0.138 1
1 53 . 13 1 1 A 5 5 GLU CB C 16 29.400 28.750 0.650 1
1 55 . 13 1 1 A 5 5 GLU N N 16 120.400 118.206 2.194 1
1 56 . 13 1 1 A 6 6 GLN H H 17 7.930 7.336 0.594 1
1 57 . 13 1 1 A 6 6 GLN HA H 17 3.560 3.754 -0.194 1
1 64 . 13 1 1 A 6 6 GLN CA C 17 58.600 58.406 0.194 1
1 65 . 13 1 1 A 6 6 GLN CB C 17 28.100 28.253 -0.153 1
1 68 . 13 1 1 A 6 6 GLN N N 17 117.900 118.951 -1.051 1
1 70 . 13 1 1 A 7 7 LYS H H 18 8.120 7.483 0.637 1
1 71 . 13 1 1 A 7 7 LYS HA H 18 3.350 3.890 -0.540 1
1 80 . 13 1 1 A 7 7 LYS C C 18 179.900 179.041 0.859 1
1 81 . 13 1 1 A 7 7 LYS CA C 18 60.600 59.372 1.228 1
1 82 . 13 1 1 A 7 7 LYS CB C 18 32.000 31.682 0.318 1
1 86 . 13 1 1 A 7 7 LYS N N 18 118.800 119.817 -1.017 1
1 87 . 13 1 1 A 8 8 GLU H H 19 7.740 7.594 0.146 1
1 88 . 13 1 1 A 8 8 GLU HA H 19 4.040 4.046 -0.006 1
1 93 . 13 1 1 A 8 8 GLU C C 19 179.000 179.305 -0.305 1
1 94 . 13 1 1 A 8 8 GLU CA C 19 59.800 59.473 0.327 1
1 95 . 13 1 1 A 8 8 GLU CB C 19 29.100 29.081 0.019 1
1 97 . 13 1 1 A 8 8 GLU N N 19 121.300 119.963 1.337 1
1 98 . 13 1 1 A 9 9 LYS H H 20 7.500 7.455 0.045 1
1 99 . 13 1 1 A 9 9 LYS HA H 20 3.950 3.917 0.033 1
1 108 . 13 1 1 A 9 9 LYS C C 20 178.100 179.403 -1.303 1
1 109 . 13 1 1 A 9 9 LYS CA C 20 60.500 59.272 1.228 1
1 110 . 13 1 1 A 9 9 LYS CB C 20 32.200 31.832 0.368 1
1 114 . 13 1 1 A 9 9 LYS N N 20 120.100 119.215 0.885 1
1 115 . 13 1 1 A 10 10 VAL H H 21 8.030 7.584 0.446 1
1 116 . 13 1 1 A 10 10 VAL HA H 21 3.410 3.523 -0.113 1
1 124 . 13 1 1 A 10 10 VAL C C 21 177.400 178.146 -0.746 1
1 125 . 13 1 1 A 10 10 VAL CA C 21 66.600 66.180 0.420 1
1 126 . 13 1 1 A 10 10 VAL CB C 21 31.800 31.716 0.084 1
1 129 . 13 1 1 A 10 10 VAL N N 21 117.300 119.688 -2.388 1
1 130 . 13 1 1 A 11 11 THR H H 22 8.230 8.302 -0.072 1
1 131 . 13 1 1 A 11 11 THR HA H 22 3.580 3.857 -0.277 1
1 137 . 13 1 1 A 11 11 THR C C 22 174.700 176.162 -1.462 1
1 138 . 13 1 1 A 11 11 THR CA C 22 68.700 67.023 1.677 1
1 139 . 13 1 1 A 11 11 THR CB C 22 68.500 68.522 -0.022 1
1 141 . 13 1 1 A 11 11 THR N N 22 115.700 117.449 -1.749 1
1 142 . 13 1 1 A 12 12 LEU H H 23 7.780 8.185 -0.405 1
1 143 . 13 1 1 A 12 12 LEU HA H 23 3.930 3.717 0.213 1
1 153 . 13 1 1 A 12 12 LEU C C 23 178.400 178.201 0.199 1
1 154 . 13 1 1 A 12 12 LEU CA C 23 58.500 57.988 0.512 1
1 155 . 13 1 1 A 12 12 LEU CB C 23 42.300 41.646 0.654 1
1 159 . 13 1 1 A 12 12 LEU N N 23 121.400 121.214 0.186 1
1 160 . 13 1 1 A 13 13 TYR H H 24 7.970 8.505 -0.535 1
1 161 . 13 1 1 A 13 13 TYR HA H 24 3.910 4.103 -0.193 1
1 168 . 13 1 1 A 13 13 TYR C C 24 177.400 176.998 0.402 1
1 169 . 13 1 1 A 13 13 TYR CA C 24 61.700 61.403 0.297 1
1 170 . 13 1 1 A 13 13 TYR CB C 24 39.400 38.789 0.611 1
1 175 . 13 1 1 A 13 13 TYR N N 24 119.100 119.473 -0.373 1
1 176 . 13 1 1 A 14 14 LEU H H 25 8.230 8.414 -0.184 1
1 177 . 13 1 1 A 14 14 LEU HA H 25 3.400 3.552 -0.152 1
1 187 . 13 1 1 A 14 14 LEU C C 25 177.200 178.839 -1.639 1
1 188 . 13 1 1 A 14 14 LEU CA C 25 57.600 57.552 0.048 1
1 189 . 13 1 1 A 14 14 LEU CB C 25 42.200 40.991 1.209 1
1 193 . 13 1 1 A 14 14 LEU N N 25 119.600 119.291 0.309 1
1 194 . 13 1 1 A 15 15 LYS H H 26 8.010 7.679 0.331 1
1 195 . 13 1 1 A 15 15 LYS HA H 26 3.230 3.319 -0.089 1
1 204 . 13 1 1 A 15 15 LYS C C 26 178.800 178.628 0.172 1
1 205 . 13 1 1 A 15 15 LYS CA C 26 59.000 58.657 0.343 1
1 206 . 13 1 1 A 15 15 LYS CB C 26 32.600 31.677 0.923 1
1 210 . 13 1 1 A 15 15 LYS N N 26 117.000 119.541 -2.541 1
1 211 . 13 1 1 A 16 16 HIS H H 27 7.890 7.192 0.698 1
1 212 . 13 1 1 A 16 16 HIS HA H 27 4.030 4.139 -0.109 1
1 217 . 13 1 1 A 16 16 HIS C C 27 175.900 177.498 -1.598 1
1 218 . 13 1 1 A 16 16 HIS CA C 27 59.000 60.046 -1.046 1
1 219 . 13 1 1 A 16 16 HIS CB C 27 30.900 30.146 0.754 1
1 222 . 13 1 1 A 16 16 HIS N N 27 113.200 117.694 -4.494 1
1 223 . 13 1 1 A 17 17 ASN H H 28 6.950 7.842 -0.892 1
1 224 . 13 1 1 A 17 17 ASN HA H 28 4.900 4.087 0.813 1
1 229 . 13 1 1 A 17 17 ASN C C 28 172.900 175.164 -2.264 1
1 230 . 13 1 1 A 17 17 ASN CA C 28 54.100 55.714 -1.614 1
1 231 . 13 1 1 A 17 17 ASN CB C 28 42.500 37.537 4.963 1
1 233 . 13 1 1 A 17 17 ASN N N 28 112.200 114.196 -1.996 1
1 235 . 13 1 1 A 18 18 ILE H H 29 7.310 7.794 -0.484 1
1 236 . 13 1 1 A 18 18 ILE HA H 29 4.560 4.276 0.284 1
1 246 . 13 1 1 A 18 18 ILE CA C 29 58.000 57.158 0.842 1
1 247 . 13 1 1 A 18 18 ILE CB C 29 38.000 39.778 -1.778 1
1 251 . 13 1 1 A 18 18 ILE N N 29 119.300 119.123 0.177 1
1 252 . 13 1 1 A 19 19 PRO HA H 30 4.170 4.468 -0.298 1
1 259 . 13 1 1 A 19 19 PRO C C 30 178.000 177.177 0.823 1
1 260 . 13 1 1 A 19 19 PRO CA C 30 65.700 64.430 1.270 1
1 261 . 13 1 1 A 19 19 PRO CB C 30 32.100 31.858 0.242 1
1 264 . 13 1 1 A 20 20 ASP H H 31 8.470 8.171 0.299 1
1 265 . 13 1 1 A 20 20 ASP HA H 31 4.790 4.775 0.015 1
1 268 . 13 1 1 A 20 20 ASP C C 31 175.600 175.892 -0.292 1
1 269 . 13 1 1 A 20 20 ASP CA C 31 53.800 53.866 -0.066 1
1 270 . 13 1 1 A 20 20 ASP CB C 31 39.600 41.457 -1.857 1
1 271 . 13 1 1 A 20 20 ASP N N 31 113.700 117.169 -3.469 1
1 272 . 13 1 1 A 21 21 PHE H H 32 7.890 7.362 0.528 1
1 273 . 13 1 1 A 21 21 PHE HA H 32 3.810 4.266 -0.456 1
1 281 . 13 1 1 A 21 21 PHE C C 32 174.200 175.114 -0.914 1
1 282 . 13 1 1 A 21 21 PHE CA C 32 61.100 59.463 1.637 1
1 283 . 13 1 1 A 21 21 PHE CB C 32 39.900 39.664 0.236 1
1 289 . 13 1 1 A 21 21 PHE N N 32 122.200 123.580 -1.380 1
1 290 . 13 1 1 A 22 22 ASN H H 33 9.380 8.502 0.878 1
1 291 . 13 1 1 A 22 22 ASN HA H 33 4.680 4.700 -0.020 1
1 296 . 13 1 1 A 22 22 ASN C C 33 173.600 174.753 -1.153 1
1 297 . 13 1 1 A 22 22 ASN CA C 33 54.600 54.805 -0.205 1
1 298 . 13 1 1 A 22 22 ASN CB C 33 41.700 38.806 2.894 1
1 300 . 13 1 1 A 22 22 ASN N N 33 126.600 123.730 2.870 1
1 302 . 13 1 1 A 23 23 THR H H 34 7.010 7.314 -0.304 1
1 303 . 13 1 1 A 23 23 THR HA H 34 4.280 4.494 -0.214 1
1 308 . 13 1 1 A 23 23 THR C C 34 171.100 171.250 -0.150 1
1 309 . 13 1 1 A 23 23 THR CA C 34 60.300 60.188 0.112 1
1 310 . 13 1 1 A 23 23 THR CB C 34 71.100 70.653 0.447 1
1 312 . 13 1 1 A 23 23 THR N N 34 109.600 109.215 0.385 1
1 313 . 13 1 1 A 24 24 VAL H H 35 8.290 8.808 -0.518 1
1 314 . 13 1 1 A 24 24 VAL HA H 35 4.850 4.874 -0.024 1
1 322 . 13 1 1 A 24 24 VAL C C 35 171.400 173.455 -2.055 1
1 323 . 13 1 1 A 24 24 VAL CA C 35 59.300 60.022 -0.722 1
1 324 . 13 1 1 A 24 24 VAL CB C 35 35.500 35.672 -0.172 1
1 327 . 13 1 1 A 24 24 VAL N N 35 119.500 122.678 -3.178 1
1 328 . 13 1 1 A 25 25 THR H H 36 8.200 8.331 -0.131 1
1 329 . 13 1 1 A 25 25 THR HA H 36 4.150 4.767 -0.617 1
1 334 . 13 1 1 A 25 25 THR C C 36 171.900 173.088 -1.188 1
1 335 . 13 1 1 A 25 25 THR CA C 36 61.100 60.545 0.555 1
1 336 . 13 1 1 A 25 25 THR CB C 36 70.900 70.561 0.339 1
1 338 . 13 1 1 A 25 25 THR N N 36 125.200 123.039 2.161 1
1 339 . 13 1 1 A 26 26 PHE H H 37 8.900 8.814 0.086 1
1 340 . 13 1 1 A 26 26 PHE HA H 37 5.140 4.756 0.384 1
1 348 . 13 1 1 A 26 26 PHE C C 37 176.900 175.956 0.944 1
1 349 . 13 1 1 A 26 26 PHE CA C 37 58.100 57.341 0.759 1
1 350 . 13 1 1 A 26 26 PHE CB C 37 39.900 39.890 0.010 1
1 356 . 13 1 1 A 26 26 PHE N N 37 124.500 125.993 -1.493 1
1 357 . 13 1 1 A 27 27 THR H H 38 9.090 9.369 -0.279 1
1 358 . 13 1 1 A 27 27 THR HA H 38 4.430 4.536 -0.106 1
1 363 . 13 1 1 A 27 27 THR C C 38 174.800 174.655 0.145 1
1 364 . 13 1 1 A 27 27 THR CA C 38 61.600 62.453 -0.853 1
1 365 . 13 1 1 A 27 27 THR CB C 38 69.400 69.806 -0.406 1
1 367 . 13 1 1 A 27 27 THR N N 38 114.000 114.616 -0.616 1
1 368 . 13 1 1 A 28 28 ASN H H 39 7.880 7.537 0.343 1
1 369 . 13 1 1 A 28 28 ASN HA H 39 4.780 5.290 -0.510 1
1 374 . 13 1 1 A 28 28 ASN C C 39 173.700 174.730 -1.030 1
1 375 . 13 1 1 A 28 28 ASN CA C 39 54.100 52.141 1.959 1
1 376 . 13 1 1 A 28 28 ASN CB C 39 40.800 40.252 0.548 1
1 378 . 13 1 1 A 28 28 ASN N N 39 118.900 118.169 0.731 1
1 380 . 13 1 1 A 29 29 GLU H H 40 8.150 8.685 -0.535 1
1 381 . 13 1 1 A 29 29 GLU HA H 40 4.560 5.064 -0.504 1
1 386 . 13 1 1 A 29 29 GLU C C 40 174.800 174.353 0.447 1
1 387 . 13 1 1 A 29 29 GLU CA C 40 55.600 56.534 -0.934 1
1 388 . 13 1 1 A 29 29 GLU CB C 40 30.500 31.733 -1.233 1
1 390 . 13 1 1 A 29 29 GLU N N 40 121.700 122.864 -1.164 1
1 391 . 13 1 1 A 30 30 GLU H H 41 8.410 8.550 -0.140 1
1 392 . 13 1 1 A 30 30 GLU HA H 41 4.410 4.829 -0.419 1
1 397 . 13 1 1 A 30 30 GLU C C 41 175.100 175.348 -0.248 1
1 398 . 13 1 1 A 30 30 GLU CA C 41 55.400 55.060 0.340 1
1 399 . 13 1 1 A 30 30 GLU CB C 41 32.200 31.946 0.254 1
1 401 . 13 1 1 A 30 30 GLU N N 41 120.500 123.708 -3.208 1
1 402 . 13 1 1 A 31 31 PHE H H 42 8.570 8.693 -0.123 1
1 403 . 13 1 1 A 31 31 PHE HA H 42 4.820 5.017 -0.197 1
1 411 . 13 1 1 A 31 31 PHE C C 42 174.800 175.330 -0.530 1
1 412 . 13 1 1 A 31 31 PHE CA C 42 57.800 58.429 -0.629 1
1 413 . 13 1 1 A 31 31 PHE CB C 42 40.200 39.538 0.662 1
1 419 . 13 1 1 A 31 31 PHE N N 42 120.700 120.650 0.050 1
1 420 . 13 1 1 A 32 32 ASN H H 43 8.350 9.071 -0.721 1
1 421 . 13 1 1 A 32 32 ASN HA H 43 4.950 5.122 -0.172 1
1 426 . 13 1 1 A 32 32 ASN CA C 43 51.600 51.387 0.213 1
1 427 . 13 1 1 A 32 32 ASN CB C 43 39.300 41.743 -2.443 1
1 429 . 13 1 1 A 32 32 ASN N N 43 122.000 118.096 3.904 1
1 431 . 13 1 1 A 33 33 PRO HA H 44 4.260 4.339 -0.079 1
1 438 . 13 1 1 A 33 33 PRO C C 44 177.400 177.643 -0.243 1
1 439 . 13 1 1 A 33 33 PRO CA C 44 65.300 65.661 -0.361 1
1 440 . 13 1 1 A 33 33 PRO CB C 44 32.200 31.725 0.475 1
1 443 . 13 1 1 A 34 34 ILE H H 45 7.840 8.285 -0.445 1
1 444 . 13 1 1 A 34 34 ILE HA H 45 4.240 4.355 -0.115 1
1 454 . 13 1 1 A 34 34 ILE C C 45 176.400 176.089 0.311 1
1 455 . 13 1 1 A 34 34 ILE CA C 45 61.000 61.698 -0.698 1
1 456 . 13 1 1 A 34 34 ILE CB C 45 38.600 38.965 -0.365 1
1 460 . 13 1 1 A 34 34 ILE N N 45 113.700 116.111 -2.411 1
1 461 . 13 1 1 A 35 35 GLY H H 46 7.860 7.812 0.048 1
1 462 . 13 1 1 A 35 35 GLY HA2 H 46 3.870 4.184 -0.314 1
1 463 . 13 1 1 A 35 35 GLY HA3 H 46 4.130 4.223 -0.093 1
1 464 . 13 1 1 A 35 35 GLY C C 46 172.700 172.633 0.067 1
1 465 . 13 1 1 A 35 35 GLY CA C 46 45.900 45.452 0.448 1
1 466 . 13 1 1 A 35 35 GLY N N 46 111.900 110.013 1.887 1
1 467 . 13 1 1 A 36 36 ILE H H 47 8.180 8.344 -0.164 1
1 468 . 13 1 1 A 36 36 ILE HA H 47 4.720 5.226 -0.506 1
1 478 . 13 1 1 A 36 36 ILE C C 47 174.900 173.785 1.115 1
1 479 . 13 1 1 A 36 36 ILE CA C 47 60.500 58.711 1.789 1
1 480 . 13 1 1 A 36 36 ILE CB C 47 40.800 42.090 -1.290 1
1 484 . 13 1 1 A 36 36 ILE N N 47 118.300 122.235 -3.935 1
1 485 . 13 1 1 A 37 37 SER H H 48 8.430 9.161 -0.731 1
1 486 . 13 1 1 A 37 37 SER HA H 48 4.990 5.501 -0.511 1
1 489 . 13 1 1 A 37 37 SER C C 48 172.900 173.497 -0.597 1
1 490 . 13 1 1 A 37 37 SER CA C 48 57.800 56.795 1.005 1
1 491 . 13 1 1 A 37 37 SER CB C 48 65.600 64.957 0.643 1
1 492 . 13 1 1 A 37 37 SER N N 48 116.700 119.194 -2.494 1
1 493 . 13 1 1 A 38 38 ILE H H 49 9.150 8.799 0.351 1
1 494 . 13 1 1 A 38 38 ILE HA H 49 4.720 5.268 -0.548 1
1 504 . 13 1 1 A 38 38 ILE C C 49 173.900 174.200 -0.300 1
1 505 . 13 1 1 A 38 38 ILE CA C 49 60.600 60.141 0.459 1
1 506 . 13 1 1 A 38 38 ILE CB C 49 41.000 40.900 0.100 1
1 510 . 13 1 1 A 38 38 ILE N N 49 124.300 127.571 -3.271 1
1 511 . 13 1 1 A 39 39 ASP H H 50 8.700 8.875 -0.175 1
1 512 . 13 1 1 A 39 39 ASP HA H 50 5.540 5.710 -0.170 1
1 515 . 13 1 1 A 39 39 ASP C C 50 176.200 174.842 1.358 1
1 516 . 13 1 1 A 39 39 ASP CA C 50 52.300 52.422 -0.122 1
1 517 . 13 1 1 A 39 39 ASP CB C 50 44.300 44.812 -0.512 1
1 518 . 13 1 1 A 39 39 ASP N N 50 126.600 127.152 -0.552 1
1 519 . 13 1 1 A 40 40 GLY H H 51 7.100 7.079 0.021 1
1 520 . 13 1 1 A 40 40 GLY HA2 H 51 3.780 3.925 -0.145 1
1 521 . 13 1 1 A 40 40 GLY HA3 H 51 4.070 4.126 -0.056 1
1 522 . 13 1 1 A 40 40 GLY C C 51 170.100 171.533 -1.433 1
1 523 . 13 1 1 A 40 40 GLY CA C 51 47.200 45.940 1.260 1
1 524 . 13 1 1 A 40 40 GLY N N 51 106.400 109.553 -3.153 1
1 525 . 13 1 1 A 41 41 TYR H H 52 8.390 8.232 0.158 1
1 526 . 13 1 1 A 41 41 TYR HA H 52 5.530 5.948 -0.418 1
1 533 . 13 1 1 A 41 41 TYR C C 52 175.200 173.211 1.989 1
1 534 . 13 1 1 A 41 41 TYR CA C 52 56.000 56.035 -0.035 1
1 535 . 13 1 1 A 41 41 TYR CB C 52 39.200 42.203 -3.003 1
1 540 . 13 1 1 A 41 41 TYR N N 52 113.900 115.659 -1.759 1
1 541 . 13 1 1 A 42 42 ILE H H 53 8.420 8.415 0.005 1
1 542 . 13 1 1 A 42 42 ILE HA H 53 5.450 4.803 0.647 1
1 552 . 13 1 1 A 42 42 ILE C C 53 174.500 175.136 -0.636 1
1 553 . 13 1 1 A 42 42 ILE CA C 53 59.300 59.408 -0.108 1
1 554 . 13 1 1 A 42 42 ILE CB C 53 40.700 40.952 -0.252 1
1 558 . 13 1 1 A 42 42 ILE N N 53 113.200 117.434 -4.234 1
1 559 . 13 1 1 A 43 43 ASN H H 54 8.760 9.082 -0.322 1
1 560 . 13 1 1 A 43 43 ASN HA H 54 4.120 4.358 -0.238 1
1 565 . 13 1 1 A 43 43 ASN C C 54 173.900 174.489 -0.589 1
1 566 . 13 1 1 A 43 43 ASN CA C 54 53.300 54.576 -1.276 1
1 567 . 13 1 1 A 43 43 ASN CB C 54 35.500 36.995 -1.495 1
1 569 . 13 1 1 A 43 43 ASN N N 54 116.700 118.957 -2.257 1
1 571 . 13 1 1 A 44 44 ASN H H 55 9.270 8.607 0.663 1
1 572 . 13 1 1 A 44 44 ASN HA H 55 4.260 4.440 -0.180 1
1 577 . 13 1 1 A 44 44 ASN C C 55 173.600 173.094 0.506 1
1 578 . 13 1 1 A 44 44 ASN CA C 55 54.800 54.849 -0.049 1
1 579 . 13 1 1 A 44 44 ASN CB C 55 38.100 37.244 0.856 1
1 581 . 13 1 1 A 44 44 ASN N N 55 110.300 108.658 1.642 1
1 583 . 13 1 1 A 45 45 ASP H H 56 8.100 8.127 -0.027 1
1 584 . 13 1 1 A 45 45 ASP HA H 56 4.760 4.869 -0.109 1
1 587 . 13 1 1 A 45 45 ASP C C 56 175.900 176.384 -0.484 1
1 588 . 13 1 1 A 45 45 ASP CA C 56 52.600 52.773 -0.173 1
1 589 . 13 1 1 A 45 45 ASP CB C 56 42.000 41.352 0.648 1
1 590 . 13 1 1 A 45 45 ASP N N 56 119.500 119.009 0.491 1
1 591 . 13 1 1 A 46 46 LYS H H 57 8.260 8.661 -0.401 1
1 592 . 13 1 1 A 46 46 LYS HA H 57 2.760 3.738 -0.978 1
1 601 . 13 1 1 A 46 46 LYS C C 57 177.100 178.470 -1.370 1
1 602 . 13 1 1 A 46 46 LYS CA C 57 58.400 59.397 -0.997 1
1 603 . 13 1 1 A 46 46 LYS CB C 57 31.700 31.970 -0.270 1
1 607 . 13 1 1 A 46 46 LYS N N 57 124.100 125.327 -1.227 1
1 608 . 13 1 1 A 47 47 ASN H H 58 8.610 7.970 0.640 1
1 609 . 13 1 1 A 47 47 ASN HA H 58 4.620 4.523 0.097 1
1 614 . 13 1 1 A 47 47 ASN C C 58 177.000 176.713 0.287 1
1 615 . 13 1 1 A 47 47 ASN CA C 58 54.400 56.263 -1.863 1
1 616 . 13 1 1 A 47 47 ASN CB C 58 38.500 38.471 0.029 1
1 618 . 13 1 1 A 47 47 ASN N N 58 114.800 117.250 -2.450 1
1 620 . 13 1 1 A 48 48 LEU H H 59 8.470 7.499 0.971 1
1 621 . 13 1 1 A 48 48 LEU HA H 59 4.470 4.536 -0.066 1
1 631 . 13 1 1 A 48 48 LEU C C 59 175.300 175.323 -0.023 1
1 632 . 13 1 1 A 48 48 LEU CA C 59 52.800 54.230 -1.430 1
1 633 . 13 1 1 A 48 48 LEU CB C 59 39.100 40.118 -1.018 1
1 637 . 13 1 1 A 48 48 LEU N N 59 125.800 120.101 5.699 1
1 638 . 13 1 1 A 49 49 SER H H 60 7.270 8.453 -1.183 1
1 639 . 13 1 1 A 49 49 SER HA H 60 5.230 5.674 -0.444 1
1 642 . 13 1 1 A 49 49 SER C C 60 173.200 174.225 -1.025 1
1 643 . 13 1 1 A 49 49 SER CA C 60 56.900 56.173 0.727 1
1 644 . 13 1 1 A 49 49 SER CB C 60 66.500 66.085 0.415 1
1 645 . 13 1 1 A 49 49 SER N N 60 112.400 117.409 -5.009 1
1 646 . 13 1 1 A 50 50 PHE H H 61 8.260 8.230 0.030 1
1 647 . 13 1 1 A 50 50 PHE HA H 61 5.490 5.392 0.098 1
1 655 . 13 1 1 A 50 50 PHE C C 61 174.500 172.930 1.570 1
1 656 . 13 1 1 A 50 50 PHE CA C 61 56.300 55.973 0.327 1
1 657 . 13 1 1 A 50 50 PHE CB C 61 44.600 42.789 1.811 1
1 663 . 13 1 1 A 50 50 PHE N N 61 114.200 117.499 -3.299 1
1 664 . 13 1 1 A 51 51 THR H H 62 8.520 8.354 0.166 1
1 665 . 13 1 1 A 51 51 THR HA H 62 5.140 5.369 -0.229 1
1 670 . 13 1 1 A 51 51 THR C C 62 172.600 173.175 -0.575 1
1 671 . 13 1 1 A 51 51 THR CA C 62 62.000 60.957 1.043 1
1 672 . 13 1 1 A 51 51 THR CB C 62 72.000 72.399 -0.399 1
1 674 . 13 1 1 A 51 51 THR N N 62 116.000 114.933 1.067 1
1 675 . 13 1 1 A 52 52 ALA H H 63 9.870 9.119 0.751 1
1 676 . 13 1 1 A 52 52 ALA HA H 63 5.180 5.495 -0.315 1
1 680 . 13 1 1 A 52 52 ALA C C 63 176.300 175.670 0.630 1
1 681 . 13 1 1 A 52 52 ALA CA C 63 50.300 50.429 -0.129 1
1 682 . 13 1 1 A 52 52 ALA CB C 63 24.000 23.312 0.688 1
1 683 . 13 1 1 A 52 52 ALA N N 63 130.400 127.289 3.111 1
1 684 . 13 1 1 A 53 53 GLY H H 64 8.340 8.693 -0.353 1
1 685 . 13 1 1 A 53 53 GLY HA2 H 64 3.630 4.308 -0.678 1
1 686 . 13 1 1 A 53 53 GLY HA3 H 64 4.830 4.317 0.513 1
1 687 . 13 1 1 A 53 53 GLY C C 64 173.200 174.467 -1.267 1
1 688 . 13 1 1 A 53 53 GLY CA C 64 43.200 45.041 -1.841 1
1 689 . 13 1 1 A 53 53 GLY N N 64 107.100 108.437 -1.337 1
1 690 . 13 1 1 A 54 54 LYS H H 65 8.430 8.920 -0.490 1
1 691 . 13 1 1 A 54 54 LYS HA H 65 3.750 4.014 -0.264 1
1 700 . 13 1 1 A 54 54 LYS CA C 65 58.300 57.060 1.240 1
1 701 . 13 1 1 A 54 54 LYS CB C 65 32.600 31.696 0.904 1
1 705 . 13 1 1 A 54 54 LYS N N 65 119.300 125.416 -6.116 1
1 708 . 13 1 1 A 55 55 ASP C C 66 172.900 176.519 -3.619 1
1 709 . 13 1 1 A 56 56 VAL H H 67 8.510 8.479 0.031 1
1 710 . 13 1 1 A 56 56 VAL HA H 67 3.100 3.919 -0.819 1
1 718 . 13 1 1 A 56 56 VAL C C 67 176.400 177.689 -1.289 1
1 719 . 13 1 1 A 56 56 VAL CA C 67 62.800 64.993 -2.193 1
1 720 . 13 1 1 A 56 56 VAL CB C 67 30.400 31.021 -0.621 1
1 723 . 13 1 1 A 56 56 VAL N N 67 112.700 125.890 -13.190 1
1 724 . 13 1 1 A 57 57 LYS H H 68 7.580 7.879 -0.299 1
1 725 . 13 1 1 A 57 57 LYS HA H 68 4.000 4.040 -0.040 1
1 734 . 13 1 1 A 57 57 LYS C C 68 176.700 175.911 0.789 1
1 735 . 13 1 1 A 57 57 LYS CA C 68 58.400 59.279 -0.879 1
1 736 . 13 1 1 A 57 57 LYS CB C 68 32.100 32.298 -0.198 1
1 740 . 13 1 1 A 57 57 LYS N N 68 118.700 122.605 -3.905 1
1 741 . 13 1 1 A 58 58 ILE H H 69 7.160 7.856 -0.696 1
1 742 . 13 1 1 A 58 58 ILE HA H 69 4.270 4.612 -0.342 1
1 752 . 13 1 1 A 58 58 ILE C C 69 174.300 174.860 -0.560 1
1 753 . 13 1 1 A 58 58 ILE CA C 69 59.900 60.412 -0.512 1
1 754 . 13 1 1 A 58 58 ILE CB C 69 41.000 39.090 1.910 1
1 758 . 13 1 1 A 58 58 ILE N N 69 115.700 118.868 -3.168 1
1 759 . 13 1 1 A 59 59 PHE H H 70 8.560 8.915 -0.355 1
1 760 . 13 1 1 A 59 59 PHE HA H 70 4.890 5.291 -0.401 1
1 765 . 13 1 1 A 59 59 PHE C C 70 173.500 173.413 0.087 1
1 766 . 13 1 1 A 59 59 PHE CA C 70 58.700 56.597 2.103 1
1 767 . 13 1 1 A 59 59 PHE CB C 70 42.400 42.556 -0.156 1
1 770 . 13 1 1 A 59 59 PHE N N 70 127.500 128.683 -1.183 1
1 771 . 13 1 1 A 60 60 SER H H 71 8.430 8.976 -0.546 1
1 772 . 13 1 1 A 60 60 SER HA H 71 4.850 5.268 -0.418 1
1 775 . 13 1 1 A 60 60 SER C C 71 172.100 172.924 -0.824 1
1 776 . 13 1 1 A 60 60 SER CA C 71 56.900 57.103 -0.203 1
1 777 . 13 1 1 A 60 60 SER CB C 71 65.000 65.184 -0.184 1
1 778 . 13 1 1 A 60 60 SER N N 71 124.200 124.134 0.066 1
1 779 . 13 1 1 A 61 61 SER H H 72 8.630 8.420 0.210 1
1 780 . 13 1 1 A 61 61 SER HA H 72 5.380 4.887 0.493 1
1 783 . 13 1 1 A 61 61 SER C C 72 174.700 173.804 0.896 1
1 784 . 13 1 1 A 61 61 SER CA C 72 57.400 57.718 -0.318 1
1 785 . 13 1 1 A 61 61 SER CB C 72 68.200 67.212 0.988 1
1 786 . 13 1 1 A 61 61 SER N N 72 116.900 118.585 -1.685 1
1 787 . 13 1 1 A 62 62 SER H H 73 8.810 8.611 0.199 1
1 788 . 13 1 1 A 62 62 SER HA H 73 4.570 4.762 -0.192 1
1 792 . 13 1 1 A 62 62 SER C C 73 175.000 175.393 -0.393 1
1 793 . 13 1 1 A 62 62 SER CA C 73 57.600 57.047 0.553 1
1 794 . 13 1 1 A 62 62 SER CB C 73 65.400 65.259 0.141 1
1 795 . 13 1 1 A 62 62 SER N N 73 117.000 115.586 1.414 1
1 796 . 13 1 1 A 63 63 GLU H H 74 9.240 8.995 0.245 1
1 797 . 13 1 1 A 63 63 GLU HA H 74 4.140 3.942 0.198 1
1 802 . 13 1 1 A 63 63 GLU C C 74 179.000 178.311 0.689 1
1 803 . 13 1 1 A 63 63 GLU CA C 74 60.100 59.707 0.393 1
1 804 . 13 1 1 A 63 63 GLU CB C 74 29.600 29.371 0.229 1
1 806 . 13 1 1 A 63 63 GLU N N 74 123.600 122.706 0.894 1
1 807 . 13 1 1 A 64 64 GLU H H 75 8.970 8.135 0.835 1
1 808 . 13 1 1 A 64 64 GLU HA H 75 3.950 4.082 -0.132 1
1 813 . 13 1 1 A 64 64 GLU C C 75 179.000 179.372 -0.372 1
1 814 . 13 1 1 A 64 64 GLU CA C 75 60.100 59.235 0.865 1
1 815 . 13 1 1 A 64 64 GLU CB C 75 29.500 29.463 0.037 1
1 817 . 13 1 1 A 64 64 GLU N N 75 117.000 119.494 -2.494 1
1 818 . 13 1 1 A 65 65 LEU H H 76 7.740 7.859 -0.119 1
1 819 . 13 1 1 A 65 65 LEU HA H 76 4.330 4.212 0.118 1
1 829 . 13 1 1 A 65 65 LEU C C 76 178.900 178.556 0.344 1
1 830 . 13 1 1 A 65 65 LEU CA C 76 57.500 57.709 -0.209 1
1 831 . 13 1 1 A 65 65 LEU CB C 76 41.800 42.002 -0.202 1
1 835 . 13 1 1 A 65 65 LEU N N 76 119.900 121.545 -1.645 1
1 836 . 13 1 1 A 66 66 ASP H H 77 8.620 8.677 -0.057 1
1 837 . 13 1 1 A 66 66 ASP HA H 77 4.580 4.258 0.322 1
1 840 . 13 1 1 A 66 66 ASP C C 77 178.800 179.440 -0.640 1
1 841 . 13 1 1 A 66 66 ASP CA C 77 58.300 57.404 0.896 1
1 842 . 13 1 1 A 66 66 ASP CB C 77 42.100 39.966 2.134 1
1 843 . 13 1 1 A 66 66 ASP N N 77 120.300 118.329 1.971 1
1 844 . 13 1 1 A 67 67 LYS H H 78 7.210 7.774 -0.564 1
1 845 . 13 1 1 A 67 67 LYS HA H 78 4.240 4.118 0.122 1
1 854 . 13 1 1 A 67 67 LYS C C 78 177.400 179.841 -2.441 1
1 855 . 13 1 1 A 67 67 LYS CA C 78 58.000 58.940 -0.940 1
1 856 . 13 1 1 A 67 67 LYS CB C 78 33.000 32.348 0.652 1
1 860 . 13 1 1 A 67 67 LYS N N 78 113.200 119.154 -5.954 1
1 861 . 13 1 1 A 68 68 MET H H 79 8.210 7.974 0.236 1
1 862 . 13 1 1 A 68 68 MET HA H 79 4.270 4.227 0.043 1
1 870 . 13 1 1 A 68 68 MET C C 79 176.800 177.276 -0.476 1
1 871 . 13 1 1 A 68 68 MET CA C 79 56.800 58.674 -1.874 1
1 872 . 13 1 1 A 68 68 MET CB C 79 33.900 33.254 0.646 1
1 875 . 13 1 1 A 68 68 MET N N 79 116.400 118.588 -2.188 1
1 876 . 13 1 1 A 69 69 PHE H H 80 7.330 7.727 -0.397 1
1 877 . 13 1 1 A 69 69 PHE HA H 80 4.300 4.517 -0.217 1
1 882 . 13 1 1 A 69 69 PHE C C 80 176.900 175.610 1.290 1
1 883 . 13 1 1 A 69 69 PHE CA C 80 59.300 59.092 0.208 1
1 884 . 13 1 1 A 69 69 PHE CB C 80 40.600 39.366 1.234 1
1 887 . 13 1 1 A 69 69 PHE N N 80 118.100 118.457 -0.357 1
1 888 . 13 1 1 A 70 70 GLN H H 81 8.540 8.812 -0.272 1
1 889 . 13 1 1 A 70 70 GLN HA H 81 4.450 4.498 -0.048 1
1 896 . 13 1 1 A 70 70 GLN C C 81 174.200 175.534 -1.334 1
1 897 . 13 1 1 A 70 70 GLN CA C 81 55.000 56.432 -1.432 1
1 898 . 13 1 1 A 70 70 GLN CB C 81 29.400 30.547 -1.147 1
1 901 . 13 1 1 A 70 70 GLN N N 81 121.600 124.078 -2.478 1
1 903 . 13 1 1 A 71 71 GLU H H 82 8.340 7.753 0.587 1
1 904 . 13 1 1 A 71 71 GLU HA H 82 4.780 4.993 -0.213 1
1 909 . 13 1 1 A 71 71 GLU CA C 82 53.100 54.085 -0.985 1
1 910 . 13 1 1 A 71 71 GLU CB C 82 30.600 32.352 -1.752 1
1 912 . 13 1 1 A 71 71 GLU N N 82 122.900 115.908 6.992 1
1 913 . 13 1 1 A 72 72 PRO HA H 83 4.880 4.614 0.266 1
1 920 . 13 1 1 A 72 72 PRO C C 83 176.200 176.503 -0.303 1
1 921 . 13 1 1 A 72 72 PRO CA C 83 62.100 62.544 -0.444 1
1 922 . 13 1 1 A 72 72 PRO CB C 83 33.800 32.439 1.361 1
1 925 . 13 1 1 A 73 73 ARG H H 84 8.580 8.521 0.059 1
1 926 . 13 1 1 A 73 73 ARG HA H 84 4.390 5.046 -0.656 1
1 934 . 13 1 1 A 73 73 ARG C C 84 176.000 176.779 -0.779 1
1 935 . 13 1 1 A 73 73 ARG CA C 84 56.000 56.907 -0.907 1
1 936 . 13 1 1 A 73 73 ARG CB C 84 31.100 31.015 0.085 1
1 940 . 13 1 1 A 73 73 ARG N N 84 123.400 122.775 0.625 1
1 942 . 13 1 1 A 74 74 LYS H H 85 9.080 9.145 -0.065 1
1 943 . 13 1 1 A 74 74 LYS HA H 85 4.540 4.963 -0.423 1
1 952 . 13 1 1 A 74 74 LYS C C 85 176.500 176.508 -0.008 1
1 953 . 13 1 1 A 74 74 LYS CA C 85 55.000 54.581 0.419 1
1 954 . 13 1 1 A 74 74 LYS CB C 85 34.900 36.792 -1.892 1
1 958 . 13 1 1 A 74 74 LYS N N 85 123.300 123.067 0.233 1
1 959 . 13 1 1 A 75 75 GLY H H 86 8.870 8.676 0.194 1
1 960 . 13 1 1 A 75 75 GLY HA2 H 86 3.930 4.142 -0.212 1
1 961 . 13 1 1 A 75 75 GLY HA3 H 86 4.350 4.146 0.204 1
1 962 . 13 1 1 A 75 75 GLY C C 86 174.000 175.250 -1.250 1
1 963 . 13 1 1 A 75 75 GLY CA C 86 44.600 45.694 -1.094 1
1 964 . 13 1 1 A 75 75 GLY N N 86 108.700 110.229 -1.529 1
1 965 . 13 1 1 A 76 76 TYR H H 87 8.880 9.088 -0.208 1
1 966 . 13 1 1 A 76 76 TYR HA H 87 3.930 4.107 -0.177 1
1 973 . 13 1 1 A 76 76 TYR C C 87 175.800 176.893 -1.093 1
1 974 . 13 1 1 A 76 76 TYR CA C 87 62.900 61.500 1.400 1
1 975 . 13 1 1 A 76 76 TYR CB C 87 38.700 38.814 -0.114 1
1 980 . 13 1 1 A 76 76 TYR N N 87 120.400 122.635 -2.235 1
1 981 . 13 1 1 A 77 77 ASP H H 88 8.450 8.106 0.344 1
1 982 . 13 1 1 A 77 77 ASP HA H 88 4.000 4.046 -0.046 1
1 985 . 13 1 1 A 77 77 ASP C C 88 178.200 179.196 -0.996 1
1 986 . 13 1 1 A 77 77 ASP CA C 88 57.000 57.201 -0.201 1
1 987 . 13 1 1 A 77 77 ASP CB C 88 39.600 40.072 -0.472 1
1 988 . 13 1 1 A 77 77 ASP N N 88 115.800 119.359 -3.559 1
1 989 . 13 1 1 A 78 78 GLU H H 89 7.520 8.018 -0.498 1
1 990 . 13 1 1 A 78 78 GLU HA H 89 4.020 4.075 -0.055 1
1 995 . 13 1 1 A 78 78 GLU C C 89 178.500 179.363 -0.863 1
1 996 . 13 1 1 A 78 78 GLU CA C 89 58.500 59.322 -0.822 1
1 997 . 13 1 1 A 78 78 GLU CB C 89 30.100 29.450 0.650 1
1 999 . 13 1 1 A 78 78 GLU N N 89 119.600 119.773 -0.173 1
1 1000 . 13 1 1 A 79 79 ILE H H 90 7.850 7.506 0.344 1
1 1001 . 13 1 1 A 79 79 ILE HA H 90 3.300 3.792 -0.492 1
1 1011 . 13 1 1 A 79 79 ILE C C 90 177.700 177.898 -0.198 1
1 1012 . 13 1 1 A 79 79 ILE CA C 90 64.600 64.328 0.272 1
1 1013 . 13 1 1 A 79 79 ILE CB C 90 37.700 37.080 0.620 1
1 1017 . 13 1 1 A 79 79 ILE N N 90 121.700 117.973 3.727 1
1 1018 . 13 1 1 A 80 80 LEU H H 91 7.710 7.786 -0.076 1
1 1019 . 13 1 1 A 80 80 LEU HA H 91 3.780 3.870 -0.090 1
1 1029 . 13 1 1 A 80 80 LEU C C 91 178.600 178.694 -0.094 1
1 1030 . 13 1 1 A 80 80 LEU CA C 91 56.900 58.440 -1.540 1
1 1031 . 13 1 1 A 80 80 LEU CB C 91 41.600 41.486 0.114 1
1 1035 . 13 1 1 A 80 80 LEU N N 91 120.500 123.445 -2.945 1
1 1036 . 13 1 1 A 81 81 GLU H H 92 7.620 7.770 -0.150 1
1 1037 . 13 1 1 A 81 81 GLU HA H 92 3.960 4.044 -0.084 1
1 1042 . 13 1 1 A 81 81 GLU C C 92 177.400 177.208 0.192 1
1 1043 . 13 1 1 A 81 81 GLU CA C 92 58.300 59.495 -1.195 1
1 1044 . 13 1 1 A 81 81 GLU CB C 92 29.700 29.583 0.117 1
1 1046 . 13 1 1 A 81 81 GLU N N 92 118.100 118.183 -0.083 1
1 1047 . 13 1 1 A 82 82 HIS H H 93 7.840 7.954 -0.114 1
1 1048 . 13 1 1 A 82 82 HIS HA H 93 4.440 4.391 0.049 1
1 1051 . 13 1 1 A 82 82 HIS C C 93 175.600 175.594 0.006 1
1 1052 . 13 1 1 A 82 82 HIS CA C 93 57.000 58.066 -1.066 1
1 1053 . 13 1 1 A 82 82 HIS CB C 93 29.800 29.253 0.547 1
1 1054 . 13 1 1 A 82 82 HIS N N 93 116.900 119.172 -2.272 1
1 1055 . 13 1 1 A 83 83 HIS H H 94 8.080 8.837 -0.757 1
1 1056 . 13 1 1 A 83 83 HIS HA H 94 4.480 4.243 0.237 1
1 1059 . 13 1 1 A 83 83 HIS CA C 94 56.700 57.179 -0.479 1
1 1060 . 13 1 1 A 83 83 HIS CB C 94 29.900 30.248 -0.348 1
1 1 . 14 1 1 A 2 2 PHE HA H 13 4.400 4.296 0.104 1
1 9 . 14 1 1 A 2 2 PHE C C 13 176.400 177.839 -1.439 1
1 10 . 14 1 1 A 2 2 PHE CA C 13 60.700 60.910 -0.210 1
1 11 . 14 1 1 A 2 2 PHE CB C 13 39.700 39.412 0.288 1
1 17 . 14 1 1 A 3 3 PHE H H 14 9.000 8.517 0.483 1
1 18 . 14 1 1 A 3 3 PHE HA H 14 4.000 4.042 -0.042 1
1 25 . 14 1 1 A 3 3 PHE C C 14 177.400 178.156 -0.756 1
1 26 . 14 1 1 A 3 3 PHE CA C 14 61.400 62.219 -0.819 1
1 27 . 14 1 1 A 3 3 PHE CB C 14 38.400 38.466 -0.066 1
1 32 . 14 1 1 A 3 3 PHE N N 14 118.700 118.182 0.518 1
1 33 . 14 1 1 A 4 4 ASN H H 15 8.000 8.062 -0.062 1
1 34 . 14 1 1 A 4 4 ASN HA H 15 4.250 4.137 0.113 1
1 39 . 14 1 1 A 4 4 ASN C C 15 177.300 178.219 -0.919 1
1 40 . 14 1 1 A 4 4 ASN CA C 15 56.400 56.330 0.070 1
1 41 . 14 1 1 A 4 4 ASN CB C 15 38.000 37.663 0.337 1
1 43 . 14 1 1 A 4 4 ASN N N 15 118.300 116.847 1.453 1
1 45 . 14 1 1 A 5 5 GLU H H 16 8.080 7.752 0.328 1
1 46 . 14 1 1 A 5 5 GLU HA H 16 3.970 3.911 0.059 1
1 51 . 14 1 1 A 5 5 GLU C C 16 179.600 179.048 0.552 1
1 52 . 14 1 1 A 5 5 GLU CA C 16 59.200 59.184 0.016 1
1 53 . 14 1 1 A 5 5 GLU CB C 16 29.400 29.103 0.297 1
1 55 . 14 1 1 A 5 5 GLU N N 16 120.400 120.338 0.062 1
1 56 . 14 1 1 A 6 6 GLN H H 17 7.930 7.312 0.618 1
1 57 . 14 1 1 A 6 6 GLN HA H 17 3.560 3.815 -0.255 1
1 64 . 14 1 1 A 6 6 GLN CA C 17 58.600 58.398 0.202 1
1 65 . 14 1 1 A 6 6 GLN CB C 17 28.100 27.795 0.305 1
1 68 . 14 1 1 A 6 6 GLN N N 17 117.900 118.708 -0.808 1
1 70 . 14 1 1 A 7 7 LYS H H 18 8.120 8.356 -0.236 1
1 71 . 14 1 1 A 7 7 LYS HA H 18 3.350 3.752 -0.402 1
1 80 . 14 1 1 A 7 7 LYS C C 18 179.900 179.025 0.875 1
1 81 . 14 1 1 A 7 7 LYS CA C 18 60.600 59.442 1.158 1
1 82 . 14 1 1 A 7 7 LYS CB C 18 32.000 32.279 -0.279 1
1 86 . 14 1 1 A 7 7 LYS N N 18 118.800 121.180 -2.380 1
1 87 . 14 1 1 A 8 8 GLU H H 19 7.740 8.075 -0.335 1
1 88 . 14 1 1 A 8 8 GLU HA H 19 4.040 4.085 -0.045 1
1 93 . 14 1 1 A 8 8 GLU C C 19 179.000 179.181 -0.181 1
1 94 . 14 1 1 A 8 8 GLU CA C 19 59.800 58.910 0.890 1
1 95 . 14 1 1 A 8 8 GLU CB C 19 29.100 29.338 -0.238 1
1 97 . 14 1 1 A 8 8 GLU N N 19 121.300 119.173 2.127 1
1 98 . 14 1 1 A 9 9 LYS H H 20 7.500 7.241 0.259 1
1 99 . 14 1 1 A 9 9 LYS HA H 20 3.950 3.740 0.210 1
1 108 . 14 1 1 A 9 9 LYS C C 20 178.100 179.468 -1.368 1
1 109 . 14 1 1 A 9 9 LYS CA C 20 60.500 59.234 1.266 1
1 110 . 14 1 1 A 9 9 LYS CB C 20 32.200 31.871 0.329 1
1 114 . 14 1 1 A 9 9 LYS N N 20 120.100 119.399 0.701 1
1 115 . 14 1 1 A 10 10 VAL H H 21 8.030 7.657 0.373 1
1 116 . 14 1 1 A 10 10 VAL HA H 21 3.410 3.615 -0.205 1
1 124 . 14 1 1 A 10 10 VAL C C 21 177.400 178.186 -0.786 1
1 125 . 14 1 1 A 10 10 VAL CA C 21 66.600 66.205 0.395 1
1 126 . 14 1 1 A 10 10 VAL CB C 21 31.800 31.887 -0.087 1
1 129 . 14 1 1 A 10 10 VAL N N 21 117.300 119.541 -2.241 1
1 130 . 14 1 1 A 11 11 THR H H 22 8.230 7.928 0.302 1
1 131 . 14 1 1 A 11 11 THR HA H 22 3.580 3.951 -0.371 1
1 137 . 14 1 1 A 11 11 THR C C 22 174.700 176.231 -1.531 1
1 138 . 14 1 1 A 11 11 THR CA C 22 68.700 67.099 1.601 1
1 139 . 14 1 1 A 11 11 THR CB C 22 68.500 68.769 -0.269 1
1 141 . 14 1 1 A 11 11 THR N N 22 115.700 117.536 -1.836 1
1 142 . 14 1 1 A 12 12 LEU H H 23 7.780 8.104 -0.324 1
1 143 . 14 1 1 A 12 12 LEU HA H 23 3.930 3.886 0.044 1
1 153 . 14 1 1 A 12 12 LEU C C 23 178.400 178.223 0.177 1
1 154 . 14 1 1 A 12 12 LEU CA C 23 58.500 58.012 0.488 1
1 155 . 14 1 1 A 12 12 LEU CB C 23 42.300 41.599 0.701 1
1 159 . 14 1 1 A 12 12 LEU N N 23 121.400 121.267 0.133 1
1 160 . 14 1 1 A 13 13 TYR H H 24 7.970 8.400 -0.430 1
1 161 . 14 1 1 A 13 13 TYR HA H 24 3.910 3.964 -0.054 1
1 168 . 14 1 1 A 13 13 TYR C C 24 177.400 177.096 0.304 1
1 169 . 14 1 1 A 13 13 TYR CA C 24 61.700 61.476 0.224 1
1 170 . 14 1 1 A 13 13 TYR CB C 24 39.400 38.529 0.871 1
1 175 . 14 1 1 A 13 13 TYR N N 24 119.100 119.455 -0.355 1
1 176 . 14 1 1 A 14 14 LEU H H 25 8.230 8.362 -0.132 1
1 177 . 14 1 1 A 14 14 LEU HA H 25 3.400 3.570 -0.170 1
1 187 . 14 1 1 A 14 14 LEU C C 25 177.200 179.164 -1.964 1
1 188 . 14 1 1 A 14 14 LEU CA C 25 57.600 57.879 -0.279 1
1 189 . 14 1 1 A 14 14 LEU CB C 25 42.200 41.308 0.892 1
1 193 . 14 1 1 A 14 14 LEU N N 25 119.600 119.710 -0.110 1
1 194 . 14 1 1 A 15 15 LYS H H 26 8.010 7.547 0.463 1
1 195 . 14 1 1 A 15 15 LYS HA H 26 3.230 3.846 -0.616 1
1 204 . 14 1 1 A 15 15 LYS C C 26 178.800 179.505 -0.705 1
1 205 . 14 1 1 A 15 15 LYS CA C 26 59.000 58.657 0.343 1
1 206 . 14 1 1 A 15 15 LYS CB C 26 32.600 31.835 0.765 1
1 210 . 14 1 1 A 15 15 LYS N N 26 117.000 117.849 -0.849 1
1 211 . 14 1 1 A 16 16 HIS H H 27 7.890 7.717 0.173 1
1 212 . 14 1 1 A 16 16 HIS HA H 27 4.030 4.123 -0.093 1
1 217 . 14 1 1 A 16 16 HIS C C 27 175.900 176.199 -0.299 1
1 218 . 14 1 1 A 16 16 HIS CA C 27 59.000 59.742 -0.742 1
1 219 . 14 1 1 A 16 16 HIS CB C 27 30.900 30.492 0.408 1
1 222 . 14 1 1 A 16 16 HIS N N 27 113.200 118.618 -5.418 1
1 223 . 14 1 1 A 17 17 ASN H H 28 6.950 7.136 -0.186 1
1 224 . 14 1 1 A 17 17 ASN HA H 28 4.900 4.466 0.434 1
1 229 . 14 1 1 A 17 17 ASN C C 28 172.900 174.138 -1.238 1
1 230 . 14 1 1 A 17 17 ASN CA C 28 54.100 53.191 0.909 1
1 231 . 14 1 1 A 17 17 ASN CB C 28 42.500 38.527 3.973 1
1 233 . 14 1 1 A 17 17 ASN N N 28 112.200 113.335 -1.135 1
1 235 . 14 1 1 A 18 18 ILE H H 29 7.310 7.350 -0.040 1
1 236 . 14 1 1 A 18 18 ILE HA H 29 4.560 4.458 0.102 1
1 246 . 14 1 1 A 18 18 ILE CA C 29 58.000 57.942 0.058 1
1 247 . 14 1 1 A 18 18 ILE CB C 29 38.000 38.890 -0.890 1
1 251 . 14 1 1 A 18 18 ILE N N 29 119.300 118.781 0.519 1
1 252 . 14 1 1 A 19 19 PRO HA H 30 4.170 4.333 -0.163 1
1 259 . 14 1 1 A 19 19 PRO C C 30 178.000 177.318 0.682 1
1 260 . 14 1 1 A 19 19 PRO CA C 30 65.700 65.070 0.630 1
1 261 . 14 1 1 A 19 19 PRO CB C 30 32.100 31.781 0.319 1
1 264 . 14 1 1 A 20 20 ASP H H 31 8.470 8.321 0.149 1
1 265 . 14 1 1 A 20 20 ASP HA H 31 4.790 4.748 0.042 1
1 268 . 14 1 1 A 20 20 ASP C C 31 175.600 175.871 -0.271 1
1 269 . 14 1 1 A 20 20 ASP CA C 31 53.800 53.941 -0.141 1
1 270 . 14 1 1 A 20 20 ASP CB C 31 39.600 40.963 -1.363 1
1 271 . 14 1 1 A 20 20 ASP N N 31 113.700 116.796 -3.096 1
1 272 . 14 1 1 A 21 21 PHE H H 32 7.890 7.755 0.135 1
1 273 . 14 1 1 A 21 21 PHE HA H 32 3.810 4.282 -0.472 1
1 281 . 14 1 1 A 21 21 PHE C C 32 174.200 175.250 -1.050 1
1 282 . 14 1 1 A 21 21 PHE CA C 32 61.100 59.611 1.489 1
1 283 . 14 1 1 A 21 21 PHE CB C 32 39.900 39.724 0.176 1
1 289 . 14 1 1 A 21 21 PHE N N 32 122.200 123.534 -1.334 1
1 290 . 14 1 1 A 22 22 ASN H H 33 9.380 8.508 0.872 1
1 291 . 14 1 1 A 22 22 ASN HA H 33 4.680 4.859 -0.179 1
1 296 . 14 1 1 A 22 22 ASN C C 33 173.600 174.026 -0.426 1
1 297 . 14 1 1 A 22 22 ASN CA C 33 54.600 54.624 -0.024 1
1 298 . 14 1 1 A 22 22 ASN CB C 33 41.700 40.638 1.062 1
1 300 . 14 1 1 A 22 22 ASN N N 33 126.600 125.938 0.662 1
1 302 . 14 1 1 A 23 23 THR H H 34 7.010 7.365 -0.355 1
1 303 . 14 1 1 A 23 23 THR HA H 34 4.280 4.676 -0.396 1
1 308 . 14 1 1 A 23 23 THR C C 34 171.100 171.525 -0.425 1
1 309 . 14 1 1 A 23 23 THR CA C 34 60.300 60.197 0.103 1
1 310 . 14 1 1 A 23 23 THR CB C 34 71.100 71.368 -0.268 1
1 312 . 14 1 1 A 23 23 THR N N 34 109.600 111.472 -1.872 1
1 313 . 14 1 1 A 24 24 VAL H H 35 8.290 8.873 -0.583 1
1 314 . 14 1 1 A 24 24 VAL HA H 35 4.850 4.834 0.016 1
1 322 . 14 1 1 A 24 24 VAL C C 35 171.400 173.709 -2.309 1
1 323 . 14 1 1 A 24 24 VAL CA C 35 59.300 60.180 -0.880 1
1 324 . 14 1 1 A 24 24 VAL CB C 35 35.500 35.822 -0.322 1
1 327 . 14 1 1 A 24 24 VAL N N 35 119.500 123.080 -3.580 1
1 328 . 14 1 1 A 25 25 THR H H 36 8.200 8.604 -0.404 1
1 329 . 14 1 1 A 25 25 THR HA H 36 4.150 4.906 -0.756 1
1 334 . 14 1 1 A 25 25 THR C C 36 171.900 173.343 -1.443 1
1 335 . 14 1 1 A 25 25 THR CA C 36 61.100 60.733 0.367 1
1 336 . 14 1 1 A 25 25 THR CB C 36 70.900 70.744 0.156 1
1 338 . 14 1 1 A 25 25 THR N N 36 125.200 123.054 2.146 1
1 339 . 14 1 1 A 26 26 PHE H H 37 8.900 8.916 -0.016 1
1 340 . 14 1 1 A 26 26 PHE HA H 37 5.140 4.794 0.346 1
1 348 . 14 1 1 A 26 26 PHE C C 37 176.900 176.204 0.696 1
1 349 . 14 1 1 A 26 26 PHE CA C 37 58.100 57.104 0.996 1
1 350 . 14 1 1 A 26 26 PHE CB C 37 39.900 40.498 -0.598 1
1 356 . 14 1 1 A 26 26 PHE N N 37 124.500 125.934 -1.434 1
1 357 . 14 1 1 A 27 27 THR H H 38 9.090 9.301 -0.211 1
1 358 . 14 1 1 A 27 27 THR HA H 38 4.430 4.479 -0.049 1
1 363 . 14 1 1 A 27 27 THR C C 38 174.800 174.798 0.002 1
1 364 . 14 1 1 A 27 27 THR CA C 38 61.600 62.037 -0.437 1
1 365 . 14 1 1 A 27 27 THR CB C 38 69.400 71.034 -1.634 1
1 367 . 14 1 1 A 27 27 THR N N 38 114.000 113.473 0.527 1
1 368 . 14 1 1 A 28 28 ASN H H 39 7.880 8.153 -0.273 1
1 369 . 14 1 1 A 28 28 ASN HA H 39 4.780 4.573 0.207 1
1 374 . 14 1 1 A 28 28 ASN C C 39 173.700 175.769 -2.069 1
1 375 . 14 1 1 A 28 28 ASN CA C 39 54.100 53.931 0.169 1
1 376 . 14 1 1 A 28 28 ASN CB C 39 40.800 36.163 4.637 1
1 378 . 14 1 1 A 28 28 ASN N N 39 118.900 120.523 -1.623 1
1 380 . 14 1 1 A 29 29 GLU H H 40 8.150 8.210 -0.060 1
1 381 . 14 1 1 A 29 29 GLU HA H 40 4.560 4.616 -0.056 1
1 386 . 14 1 1 A 29 29 GLU C C 40 174.800 175.879 -1.079 1
1 387 . 14 1 1 A 29 29 GLU CA C 40 55.600 55.717 -0.117 1
1 388 . 14 1 1 A 29 29 GLU CB C 40 30.500 30.143 0.357 1
1 390 . 14 1 1 A 29 29 GLU N N 40 121.700 120.056 1.644 1
1 391 . 14 1 1 A 30 30 GLU H H 41 8.410 7.889 0.521 1
1 392 . 14 1 1 A 30 30 GLU HA H 41 4.410 4.913 -0.503 1
1 397 . 14 1 1 A 30 30 GLU C C 41 175.100 174.382 0.718 1
1 398 . 14 1 1 A 30 30 GLU CA C 41 55.400 55.057 0.343 1
1 399 . 14 1 1 A 30 30 GLU CB C 41 32.200 32.984 -0.784 1
1 401 . 14 1 1 A 30 30 GLU N N 41 120.500 120.896 -0.396 1
1 402 . 14 1 1 A 31 31 PHE H H 42 8.570 9.042 -0.472 1
1 403 . 14 1 1 A 31 31 PHE HA H 42 4.820 5.316 -0.496 1
1 411 . 14 1 1 A 31 31 PHE C C 42 174.800 173.779 1.021 1
1 412 . 14 1 1 A 31 31 PHE CA C 42 57.800 56.315 1.485 1
1 413 . 14 1 1 A 31 31 PHE CB C 42 40.200 41.866 -1.666 1
1 419 . 14 1 1 A 31 31 PHE N N 42 120.700 125.981 -5.281 1
1 420 . 14 1 1 A 32 32 ASN H H 43 8.350 8.253 0.097 1
1 421 . 14 1 1 A 32 32 ASN HA H 43 4.950 5.158 -0.208 1
1 426 . 14 1 1 A 32 32 ASN CA C 43 51.600 49.563 2.037 1
1 427 . 14 1 1 A 32 32 ASN CB C 43 39.300 39.618 -0.318 1
1 429 . 14 1 1 A 32 32 ASN N N 43 122.000 124.952 -2.952 1
1 431 . 14 1 1 A 33 33 PRO HA H 44 4.260 4.417 -0.157 1
1 438 . 14 1 1 A 33 33 PRO C C 44 177.400 177.573 -0.173 1
1 439 . 14 1 1 A 33 33 PRO CA C 44 65.300 65.389 -0.089 1
1 440 . 14 1 1 A 33 33 PRO CB C 44 32.200 31.928 0.272 1
1 443 . 14 1 1 A 34 34 ILE H H 45 7.840 7.827 0.013 1
1 444 . 14 1 1 A 34 34 ILE HA H 45 4.240 4.070 0.170 1
1 454 . 14 1 1 A 34 34 ILE C C 45 176.400 175.447 0.953 1
1 455 . 14 1 1 A 34 34 ILE CA C 45 61.000 61.706 -0.706 1
1 456 . 14 1 1 A 34 34 ILE CB C 45 38.600 38.266 0.334 1
1 460 . 14 1 1 A 34 34 ILE N N 45 113.700 113.878 -0.178 1
1 461 . 14 1 1 A 35 35 GLY H H 46 7.860 7.638 0.222 1
1 462 . 14 1 1 A 35 35 GLY HA2 H 46 3.870 3.902 -0.032 1
1 463 . 14 1 1 A 35 35 GLY HA3 H 46 4.130 3.950 0.180 1
1 464 . 14 1 1 A 35 35 GLY C C 46 172.700 172.150 0.550 1
1 465 . 14 1 1 A 35 35 GLY CA C 46 45.900 45.093 0.807 1
1 466 . 14 1 1 A 35 35 GLY N N 46 111.900 108.742 3.158 1
1 467 . 14 1 1 A 36 36 ILE H H 47 8.180 8.374 -0.194 1
1 468 . 14 1 1 A 36 36 ILE HA H 47 4.720 4.388 0.332 1
1 478 . 14 1 1 A 36 36 ILE C C 47 174.900 174.860 0.040 1
1 479 . 14 1 1 A 36 36 ILE CA C 47 60.500 59.973 0.527 1
1 480 . 14 1 1 A 36 36 ILE CB C 47 40.800 39.036 1.764 1
1 484 . 14 1 1 A 36 36 ILE N N 47 118.300 116.438 1.862 1
1 485 . 14 1 1 A 37 37 SER H H 48 8.430 8.645 -0.215 1
1 486 . 14 1 1 A 37 37 SER HA H 48 4.990 5.212 -0.222 1
1 489 . 14 1 1 A 37 37 SER C C 48 172.900 173.973 -1.073 1
1 490 . 14 1 1 A 37 37 SER CA C 48 57.800 57.713 0.087 1
1 491 . 14 1 1 A 37 37 SER CB C 48 65.600 64.462 1.138 1
1 492 . 14 1 1 A 37 37 SER N N 48 116.700 120.575 -3.875 1
1 493 . 14 1 1 A 38 38 ILE H H 49 9.150 9.671 -0.521 1
1 494 . 14 1 1 A 38 38 ILE HA H 49 4.720 4.762 -0.042 1
1 504 . 14 1 1 A 38 38 ILE C C 49 173.900 175.081 -1.181 1
1 505 . 14 1 1 A 38 38 ILE CA C 49 60.600 60.574 0.026 1
1 506 . 14 1 1 A 38 38 ILE CB C 49 41.000 38.809 2.191 1
1 510 . 14 1 1 A 38 38 ILE N N 49 124.300 128.628 -4.328 1
1 511 . 14 1 1 A 39 39 ASP H H 50 8.700 8.941 -0.241 1
1 512 . 14 1 1 A 39 39 ASP HA H 50 5.540 5.564 -0.024 1
1 515 . 14 1 1 A 39 39 ASP C C 50 176.200 175.850 0.350 1
1 516 . 14 1 1 A 39 39 ASP CA C 50 52.300 52.133 0.167 1
1 517 . 14 1 1 A 39 39 ASP CB C 50 44.300 43.655 0.645 1
1 518 . 14 1 1 A 39 39 ASP N N 50 126.600 126.161 0.439 1
1 519 . 14 1 1 A 40 40 GLY H H 51 7.100 7.276 -0.176 1
1 520 . 14 1 1 A 40 40 GLY HA2 H 51 3.780 3.661 0.119 1
1 521 . 14 1 1 A 40 40 GLY HA3 H 51 4.070 3.977 0.093 1
1 522 . 14 1 1 A 40 40 GLY C C 51 170.100 171.202 -1.102 1
1 523 . 14 1 1 A 40 40 GLY CA C 51 47.200 45.595 1.605 1
1 524 . 14 1 1 A 40 40 GLY N N 51 106.400 108.386 -1.986 1
1 525 . 14 1 1 A 41 41 TYR H H 52 8.390 8.125 0.265 1
1 526 . 14 1 1 A 41 41 TYR HA H 52 5.530 5.954 -0.424 1
1 533 . 14 1 1 A 41 41 TYR C C 52 175.200 173.260 1.940 1
1 534 . 14 1 1 A 41 41 TYR CA C 52 56.000 56.021 -0.021 1
1 535 . 14 1 1 A 41 41 TYR CB C 52 39.200 42.137 -2.937 1
1 540 . 14 1 1 A 41 41 TYR N N 52 113.900 114.242 -0.342 1
1 541 . 14 1 1 A 42 42 ILE H H 53 8.420 8.426 -0.006 1
1 542 . 14 1 1 A 42 42 ILE HA H 53 5.450 4.814 0.636 1
1 552 . 14 1 1 A 42 42 ILE C C 53 174.500 175.116 -0.616 1
1 553 . 14 1 1 A 42 42 ILE CA C 53 59.300 59.394 -0.094 1
1 554 . 14 1 1 A 42 42 ILE CB C 53 40.700 40.911 -0.211 1
1 558 . 14 1 1 A 42 42 ILE N N 53 113.200 117.430 -4.230 1
1 559 . 14 1 1 A 43 43 ASN H H 54 8.760 9.072 -0.312 1
1 560 . 14 1 1 A 43 43 ASN HA H 54 4.120 4.384 -0.264 1
1 565 . 14 1 1 A 43 43 ASN C C 54 173.900 174.529 -0.629 1
1 566 . 14 1 1 A 43 43 ASN CA C 54 53.300 54.594 -1.294 1
1 567 . 14 1 1 A 43 43 ASN CB C 54 35.500 37.016 -1.516 1
1 569 . 14 1 1 A 43 43 ASN N N 54 116.700 118.869 -2.169 1
1 571 . 14 1 1 A 44 44 ASN H H 55 9.270 8.610 0.660 1
1 572 . 14 1 1 A 44 44 ASN HA H 55 4.260 4.474 -0.214 1
1 577 . 14 1 1 A 44 44 ASN C C 55 173.600 173.676 -0.076 1
1 578 . 14 1 1 A 44 44 ASN CA C 55 54.800 54.833 -0.033 1
1 579 . 14 1 1 A 44 44 ASN CB C 55 38.100 37.315 0.785 1
1 581 . 14 1 1 A 44 44 ASN N N 55 110.300 108.715 1.585 1
1 583 . 14 1 1 A 45 45 ASP H H 56 8.100 8.076 0.024 1
1 584 . 14 1 1 A 45 45 ASP HA H 56 4.760 4.837 -0.077 1
1 587 . 14 1 1 A 45 45 ASP C C 56 175.900 176.297 -0.397 1
1 588 . 14 1 1 A 45 45 ASP CA C 56 52.600 53.097 -0.497 1
1 589 . 14 1 1 A 45 45 ASP CB C 56 42.000 41.764 0.236 1
1 590 . 14 1 1 A 45 45 ASP N N 56 119.500 118.454 1.046 1
1 591 . 14 1 1 A 46 46 LYS H H 57 8.260 8.663 -0.403 1
1 592 . 14 1 1 A 46 46 LYS HA H 57 2.760 3.540 -0.780 1
1 601 . 14 1 1 A 46 46 LYS C C 57 177.100 178.395 -1.295 1
1 602 . 14 1 1 A 46 46 LYS CA C 57 58.400 59.313 -0.913 1
1 603 . 14 1 1 A 46 46 LYS CB C 57 31.700 31.952 -0.252 1
1 607 . 14 1 1 A 46 46 LYS N N 57 124.100 125.790 -1.690 1
1 608 . 14 1 1 A 47 47 ASN H H 58 8.610 8.038 0.572 1
1 609 . 14 1 1 A 47 47 ASN HA H 58 4.620 4.510 0.110 1
1 614 . 14 1 1 A 47 47 ASN C C 58 177.000 176.715 0.285 1
1 615 . 14 1 1 A 47 47 ASN CA C 58 54.400 56.249 -1.849 1
1 616 . 14 1 1 A 47 47 ASN CB C 58 38.500 38.488 0.012 1
1 618 . 14 1 1 A 47 47 ASN N N 58 114.800 117.266 -2.466 1
1 620 . 14 1 1 A 48 48 LEU H H 59 8.470 7.510 0.960 1
1 621 . 14 1 1 A 48 48 LEU HA H 59 4.470 4.537 -0.067 1
1 631 . 14 1 1 A 48 48 LEU C C 59 175.300 175.395 -0.095 1
1 632 . 14 1 1 A 48 48 LEU CA C 59 52.800 54.172 -1.372 1
1 633 . 14 1 1 A 48 48 LEU CB C 59 39.100 40.149 -1.049 1
1 637 . 14 1 1 A 48 48 LEU N N 59 125.800 120.058 5.742 1
1 638 . 14 1 1 A 49 49 SER H H 60 7.270 8.758 -1.488 1
1 639 . 14 1 1 A 49 49 SER HA H 60 5.230 5.587 -0.357 1
1 642 . 14 1 1 A 49 49 SER C C 60 173.200 173.439 -0.239 1
1 643 . 14 1 1 A 49 49 SER CA C 60 56.900 56.276 0.624 1
1 644 . 14 1 1 A 49 49 SER CB C 60 66.500 65.384 1.116 1
1 645 . 14 1 1 A 49 49 SER N N 60 112.400 119.951 -7.551 1
1 646 . 14 1 1 A 50 50 PHE H H 61 8.260 8.590 -0.330 1
1 647 . 14 1 1 A 50 50 PHE HA H 61 5.490 5.381 0.109 1
1 655 . 14 1 1 A 50 50 PHE C C 61 174.500 172.948 1.552 1
1 656 . 14 1 1 A 50 50 PHE CA C 61 56.300 55.899 0.401 1
1 657 . 14 1 1 A 50 50 PHE CB C 61 44.600 42.760 1.840 1
1 663 . 14 1 1 A 50 50 PHE N N 61 114.200 118.719 -4.519 1
1 664 . 14 1 1 A 51 51 THR H H 62 8.520 8.260 0.260 1
1 665 . 14 1 1 A 51 51 THR HA H 62 5.140 5.411 -0.271 1
1 670 . 14 1 1 A 51 51 THR C C 62 172.600 173.377 -0.777 1
1 671 . 14 1 1 A 51 51 THR CA C 62 62.000 61.011 0.989 1
1 672 . 14 1 1 A 51 51 THR CB C 62 72.000 72.047 -0.047 1
1 674 . 14 1 1 A 51 51 THR N N 62 116.000 115.183 0.817 1
1 675 . 14 1 1 A 52 52 ALA H H 63 9.870 9.129 0.741 1
1 676 . 14 1 1 A 52 52 ALA HA H 63 5.180 5.595 -0.415 1
1 680 . 14 1 1 A 52 52 ALA C C 63 176.300 175.869 0.431 1
1 681 . 14 1 1 A 52 52 ALA CA C 63 50.300 50.607 -0.307 1
1 682 . 14 1 1 A 52 52 ALA CB C 63 24.000 22.623 1.377 1
1 683 . 14 1 1 A 52 52 ALA N N 63 130.400 127.612 2.788 1
1 684 . 14 1 1 A 53 53 GLY H H 64 8.340 8.892 -0.552 1
1 685 . 14 1 1 A 53 53 GLY HA2 H 64 3.630 4.151 -0.521 1
1 686 . 14 1 1 A 53 53 GLY HA3 H 64 4.830 4.158 0.672 1
1 687 . 14 1 1 A 53 53 GLY C C 64 173.200 174.491 -1.291 1
1 688 . 14 1 1 A 53 53 GLY CA C 64 43.200 44.332 -1.132 1
1 689 . 14 1 1 A 53 53 GLY N N 64 107.100 110.451 -3.351 1
1 690 . 14 1 1 A 54 54 LYS H H 65 8.430 8.695 -0.265 1
1 691 . 14 1 1 A 54 54 LYS HA H 65 3.750 3.900 -0.150 1
1 700 . 14 1 1 A 54 54 LYS CA C 65 58.300 58.141 0.159 1
1 701 . 14 1 1 A 54 54 LYS CB C 65 32.600 31.039 1.561 1
1 705 . 14 1 1 A 54 54 LYS N N 65 119.300 119.576 -0.276 1
1 708 . 14 1 1 A 55 55 ASP C C 66 172.900 175.406 -2.506 1
1 709 . 14 1 1 A 56 56 VAL H H 67 8.510 8.209 0.301 1
1 710 . 14 1 1 A 56 56 VAL HA H 67 3.100 3.732 -0.632 1
1 718 . 14 1 1 A 56 56 VAL C C 67 176.400 175.574 0.826 1
1 719 . 14 1 1 A 56 56 VAL CA C 67 62.800 63.243 -0.443 1
1 720 . 14 1 1 A 56 56 VAL CB C 67 30.400 29.496 0.904 1
1 723 . 14 1 1 A 56 56 VAL N N 67 112.700 121.520 -8.820 1
1 724 . 14 1 1 A 57 57 LYS H H 68 7.580 8.007 -0.427 1
1 725 . 14 1 1 A 57 57 LYS HA H 68 4.000 4.164 -0.164 1
1 734 . 14 1 1 A 57 57 LYS C C 68 176.700 176.940 -0.240 1
1 735 . 14 1 1 A 57 57 LYS CA C 68 58.400 58.737 -0.337 1
1 736 . 14 1 1 A 57 57 LYS CB C 68 32.100 32.855 -0.755 1
1 740 . 14 1 1 A 57 57 LYS N N 68 118.700 120.525 -1.825 1
1 741 . 14 1 1 A 58 58 ILE H H 69 7.160 7.834 -0.674 1
1 742 . 14 1 1 A 58 58 ILE HA H 69 4.270 4.683 -0.413 1
1 752 . 14 1 1 A 58 58 ILE C C 69 174.300 173.796 0.504 1
1 753 . 14 1 1 A 58 58 ILE CA C 69 59.900 60.185 -0.285 1
1 754 . 14 1 1 A 58 58 ILE CB C 69 41.000 41.635 -0.635 1
1 758 . 14 1 1 A 58 58 ILE N N 69 115.700 119.200 -3.500 1
1 759 . 14 1 1 A 59 59 PHE H H 70 8.560 8.899 -0.339 1
1 760 . 14 1 1 A 59 59 PHE HA H 70 4.890 5.632 -0.742 1
1 765 . 14 1 1 A 59 59 PHE C C 70 173.500 173.483 0.017 1
1 766 . 14 1 1 A 59 59 PHE CA C 70 58.700 56.012 2.688 1
1 767 . 14 1 1 A 59 59 PHE CB C 70 42.400 42.492 -0.092 1
1 770 . 14 1 1 A 59 59 PHE N N 70 127.500 128.935 -1.435 1
1 771 . 14 1 1 A 60 60 SER H H 71 8.430 7.959 0.471 1
1 772 . 14 1 1 A 60 60 SER HA H 71 4.850 5.303 -0.453 1
1 775 . 14 1 1 A 60 60 SER C C 71 172.100 172.716 -0.616 1
1 776 . 14 1 1 A 60 60 SER CA C 71 56.900 56.797 0.103 1
1 777 . 14 1 1 A 60 60 SER CB C 71 65.000 65.788 -0.788 1
1 778 . 14 1 1 A 60 60 SER N N 71 124.200 123.518 0.682 1
1 779 . 14 1 1 A 61 61 SER H H 72 8.630 8.595 0.035 1
1 780 . 14 1 1 A 61 61 SER HA H 72 5.380 4.986 0.394 1
1 783 . 14 1 1 A 61 61 SER C C 72 174.700 172.457 2.243 1
1 784 . 14 1 1 A 61 61 SER CA C 72 57.400 56.340 1.060 1
1 785 . 14 1 1 A 61 61 SER CB C 72 68.200 65.811 2.389 1
1 786 . 14 1 1 A 61 61 SER N N 72 116.900 116.580 0.320 1
1 787 . 14 1 1 A 62 62 SER H H 73 8.810 8.711 0.099 1
1 788 . 14 1 1 A 62 62 SER HA H 73 4.570 4.712 -0.142 1
1 792 . 14 1 1 A 62 62 SER C C 73 175.000 175.266 -0.266 1
1 793 . 14 1 1 A 62 62 SER CA C 73 57.600 57.269 0.331 1
1 794 . 14 1 1 A 62 62 SER CB C 73 65.400 64.674 0.726 1
1 795 . 14 1 1 A 62 62 SER N N 73 117.000 117.767 -0.767 1
1 796 . 14 1 1 A 63 63 GLU H H 74 9.240 8.946 0.294 1
1 797 . 14 1 1 A 63 63 GLU HA H 74 4.140 4.007 0.133 1
1 802 . 14 1 1 A 63 63 GLU C C 74 179.000 178.552 0.448 1
1 803 . 14 1 1 A 63 63 GLU CA C 74 60.100 59.779 0.321 1
1 804 . 14 1 1 A 63 63 GLU CB C 74 29.600 29.458 0.142 1
1 806 . 14 1 1 A 63 63 GLU N N 74 123.600 125.832 -2.232 1
1 807 . 14 1 1 A 64 64 GLU H H 75 8.970 8.001 0.969 1
1 808 . 14 1 1 A 64 64 GLU HA H 75 3.950 4.136 -0.186 1
1 813 . 14 1 1 A 64 64 GLU C C 75 179.000 179.200 -0.200 1
1 814 . 14 1 1 A 64 64 GLU CA C 75 60.100 58.903 1.197 1
1 815 . 14 1 1 A 64 64 GLU CB C 75 29.500 30.194 -0.694 1
1 817 . 14 1 1 A 64 64 GLU N N 75 117.000 120.619 -3.619 1
1 818 . 14 1 1 A 65 65 LEU H H 76 7.740 8.265 -0.525 1
1 819 . 14 1 1 A 65 65 LEU HA H 76 4.330 4.237 0.093 1
1 829 . 14 1 1 A 65 65 LEU C C 76 178.900 178.263 0.637 1
1 830 . 14 1 1 A 65 65 LEU CA C 76 57.500 57.764 -0.264 1
1 831 . 14 1 1 A 65 65 LEU CB C 76 41.800 41.847 -0.047 1
1 835 . 14 1 1 A 65 65 LEU N N 76 119.900 121.494 -1.594 1
1 836 . 14 1 1 A 66 66 ASP H H 77 8.620 8.323 0.297 1
1 837 . 14 1 1 A 66 66 ASP HA H 77 4.580 4.382 0.198 1
1 840 . 14 1 1 A 66 66 ASP C C 77 178.800 178.685 0.115 1
1 841 . 14 1 1 A 66 66 ASP CA C 77 58.300 57.502 0.798 1
1 842 . 14 1 1 A 66 66 ASP CB C 77 42.100 42.304 -0.204 1
1 843 . 14 1 1 A 66 66 ASP N N 77 120.300 119.199 1.101 1
1 844 . 14 1 1 A 67 67 LYS H H 78 7.210 7.627 -0.417 1
1 845 . 14 1 1 A 67 67 LYS HA H 78 4.240 4.061 0.179 1
1 854 . 14 1 1 A 67 67 LYS C C 78 177.400 179.846 -2.446 1
1 855 . 14 1 1 A 67 67 LYS CA C 78 58.000 59.151 -1.151 1
1 856 . 14 1 1 A 67 67 LYS CB C 78 33.000 32.030 0.970 1
1 860 . 14 1 1 A 67 67 LYS N N 78 113.200 119.118 -5.918 1
1 861 . 14 1 1 A 68 68 MET H H 79 8.210 7.991 0.219 1
1 862 . 14 1 1 A 68 68 MET HA H 79 4.270 4.261 0.009 1
1 870 . 14 1 1 A 68 68 MET C C 79 176.800 177.347 -0.547 1
1 871 . 14 1 1 A 68 68 MET CA C 79 56.800 58.424 -1.624 1
1 872 . 14 1 1 A 68 68 MET CB C 79 33.900 33.039 0.861 1
1 875 . 14 1 1 A 68 68 MET N N 79 116.400 118.143 -1.743 1
1 876 . 14 1 1 A 69 69 PHE H H 80 7.330 7.743 -0.413 1
1 877 . 14 1 1 A 69 69 PHE HA H 80 4.300 4.523 -0.223 1
1 882 . 14 1 1 A 69 69 PHE C C 80 176.900 175.580 1.320 1
1 883 . 14 1 1 A 69 69 PHE CA C 80 59.300 59.648 -0.348 1
1 884 . 14 1 1 A 69 69 PHE CB C 80 40.600 39.600 1.000 1
1 887 . 14 1 1 A 69 69 PHE N N 80 118.100 118.140 -0.040 1
1 888 . 14 1 1 A 70 70 GLN H H 81 8.540 8.913 -0.373 1
1 889 . 14 1 1 A 70 70 GLN HA H 81 4.450 4.728 -0.278 1
1 896 . 14 1 1 A 70 70 GLN C C 81 174.200 175.673 -1.473 1
1 897 . 14 1 1 A 70 70 GLN CA C 81 55.000 56.077 -1.077 1
1 898 . 14 1 1 A 70 70 GLN CB C 81 29.400 31.155 -1.755 1
1 901 . 14 1 1 A 70 70 GLN N N 81 121.600 122.155 -0.555 1
1 903 . 14 1 1 A 71 71 GLU H H 82 8.340 7.810 0.530 1
1 904 . 14 1 1 A 71 71 GLU HA H 82 4.780 4.970 -0.190 1
1 909 . 14 1 1 A 71 71 GLU CA C 82 53.100 54.218 -1.118 1
1 910 . 14 1 1 A 71 71 GLU CB C 82 30.600 31.786 -1.186 1
1 912 . 14 1 1 A 71 71 GLU N N 82 122.900 118.215 4.685 1
1 913 . 14 1 1 A 72 72 PRO HA H 83 4.880 4.669 0.211 1
1 920 . 14 1 1 A 72 72 PRO C C 83 176.200 176.467 -0.267 1
1 921 . 14 1 1 A 72 72 PRO CA C 83 62.100 62.410 -0.310 1
1 922 . 14 1 1 A 72 72 PRO CB C 83 33.800 32.678 1.122 1
1 925 . 14 1 1 A 73 73 ARG H H 84 8.580 8.538 0.042 1
1 926 . 14 1 1 A 73 73 ARG HA H 84 4.390 5.028 -0.638 1
1 934 . 14 1 1 A 73 73 ARG C C 84 176.000 175.556 0.444 1
1 935 . 14 1 1 A 73 73 ARG CA C 84 56.000 56.961 -0.961 1
1 936 . 14 1 1 A 73 73 ARG CB C 84 31.100 31.129 -0.029 1
1 940 . 14 1 1 A 73 73 ARG N N 84 123.400 122.013 1.387 1
1 942 . 14 1 1 A 74 74 LYS H H 85 9.080 8.912 0.168 1
1 943 . 14 1 1 A 74 74 LYS HA H 85 4.540 5.070 -0.530 1
1 952 . 14 1 1 A 74 74 LYS C C 85 176.500 175.646 0.854 1
1 953 . 14 1 1 A 74 74 LYS CA C 85 55.000 54.803 0.197 1
1 954 . 14 1 1 A 74 74 LYS CB C 85 34.900 36.340 -1.440 1
1 958 . 14 1 1 A 74 74 LYS N N 85 123.300 122.508 0.792 1
1 959 . 14 1 1 A 75 75 GLY H H 86 8.870 8.786 0.084 1
1 960 . 14 1 1 A 75 75 GLY HA2 H 86 3.930 4.100 -0.170 1
1 961 . 14 1 1 A 75 75 GLY HA3 H 86 4.350 4.128 0.222 1
1 962 . 14 1 1 A 75 75 GLY C C 86 174.000 175.114 -1.114 1
1 963 . 14 1 1 A 75 75 GLY CA C 86 44.600 45.319 -0.719 1
1 964 . 14 1 1 A 75 75 GLY N N 86 108.700 113.590 -4.890 1
1 965 . 14 1 1 A 76 76 TYR H H 87 8.880 9.163 -0.283 1
1 966 . 14 1 1 A 76 76 TYR HA H 87 3.930 4.009 -0.079 1
1 973 . 14 1 1 A 76 76 TYR C C 87 175.800 176.835 -1.035 1
1 974 . 14 1 1 A 76 76 TYR CA C 87 62.900 61.433 1.467 1
1 975 . 14 1 1 A 76 76 TYR CB C 87 38.700 38.737 -0.037 1
1 980 . 14 1 1 A 76 76 TYR N N 87 120.400 122.013 -1.613 1
1 981 . 14 1 1 A 77 77 ASP H H 88 8.450 8.044 0.406 1
1 982 . 14 1 1 A 77 77 ASP HA H 88 4.000 4.008 -0.008 1
1 985 . 14 1 1 A 77 77 ASP C C 88 178.200 178.788 -0.588 1
1 986 . 14 1 1 A 77 77 ASP CA C 88 57.000 57.087 -0.087 1
1 987 . 14 1 1 A 77 77 ASP CB C 88 39.600 40.074 -0.474 1
1 988 . 14 1 1 A 77 77 ASP N N 88 115.800 119.300 -3.500 1
1 989 . 14 1 1 A 78 78 GLU H H 89 7.520 7.927 -0.407 1
1 990 . 14 1 1 A 78 78 GLU HA H 89 4.020 3.909 0.111 1
1 995 . 14 1 1 A 78 78 GLU C C 89 178.500 179.255 -0.755 1
1 996 . 14 1 1 A 78 78 GLU CA C 89 58.500 59.262 -0.762 1
1 997 . 14 1 1 A 78 78 GLU CB C 89 30.100 29.502 0.598 1
1 999 . 14 1 1 A 78 78 GLU N N 89 119.600 120.095 -0.495 1
1 1000 . 14 1 1 A 79 79 ILE H H 90 7.850 7.533 0.317 1
1 1001 . 14 1 1 A 79 79 ILE HA H 90 3.300 3.969 -0.669 1
1 1011 . 14 1 1 A 79 79 ILE C C 90 177.700 177.839 -0.139 1
1 1012 . 14 1 1 A 79 79 ILE CA C 90 64.600 64.483 0.117 1
1 1013 . 14 1 1 A 79 79 ILE CB C 90 37.700 37.299 0.401 1
1 1017 . 14 1 1 A 79 79 ILE N N 90 121.700 118.007 3.693 1
1 1018 . 14 1 1 A 80 80 LEU H H 91 7.710 7.753 -0.043 1
1 1019 . 14 1 1 A 80 80 LEU HA H 91 3.780 3.806 -0.026 1
1 1029 . 14 1 1 A 80 80 LEU C C 91 178.600 178.478 0.122 1
1 1030 . 14 1 1 A 80 80 LEU CA C 91 56.900 58.396 -1.496 1
1 1031 . 14 1 1 A 80 80 LEU CB C 91 41.600 41.316 0.284 1
1 1035 . 14 1 1 A 80 80 LEU N N 91 120.500 123.781 -3.281 1
1 1036 . 14 1 1 A 81 81 GLU H H 92 7.620 8.104 -0.484 1
1 1037 . 14 1 1 A 81 81 GLU HA H 92 3.960 3.805 0.155 1
1 1042 . 14 1 1 A 81 81 GLU C C 92 177.400 179.407 -2.007 1
1 1043 . 14 1 1 A 81 81 GLU CA C 92 58.300 59.297 -0.997 1
1 1044 . 14 1 1 A 81 81 GLU CB C 92 29.700 29.051 0.649 1
1 1046 . 14 1 1 A 81 81 GLU N N 92 118.100 118.485 -0.385 1
1 1047 . 14 1 1 A 82 82 HIS H H 93 7.840 7.619 0.221 1
1 1048 . 14 1 1 A 82 82 HIS HA H 93 4.440 4.391 0.049 1
1 1051 . 14 1 1 A 82 82 HIS C C 93 175.600 176.649 -1.049 1
1 1052 . 14 1 1 A 82 82 HIS CA C 93 57.000 59.725 -2.725 1
1 1053 . 14 1 1 A 82 82 HIS CB C 93 29.800 29.708 0.092 1
1 1054 . 14 1 1 A 82 82 HIS N N 93 116.900 118.904 -2.004 1
1 1055 . 14 1 1 A 83 83 HIS H H 94 8.080 7.973 0.107 1
1 1056 . 14 1 1 A 83 83 HIS HA H 94 4.480 4.524 -0.044 1
1 1059 . 14 1 1 A 83 83 HIS CA C 94 56.700 54.613 2.087 1
1 1060 . 14 1 1 A 83 83 HIS CB C 94 29.900 28.745 1.155 1
1 1 . 15 1 1 A 2 2 PHE HA H 13 4.400 4.282 0.118 1
1 9 . 15 1 1 A 2 2 PHE C C 13 176.400 177.065 -0.665 1
1 10 . 15 1 1 A 2 2 PHE CA C 13 60.700 59.439 1.261 1
1 11 . 15 1 1 A 2 2 PHE CB C 13 39.700 37.445 2.255 1
1 17 . 15 1 1 A 3 3 PHE H H 14 9.000 7.194 1.806 1
1 18 . 15 1 1 A 3 3 PHE HA H 14 4.000 3.829 0.171 1
1 25 . 15 1 1 A 3 3 PHE C C 14 177.400 177.480 -0.080 1
1 26 . 15 1 1 A 3 3 PHE CA C 14 61.400 61.368 0.032 1
1 27 . 15 1 1 A 3 3 PHE CB C 14 38.400 37.737 0.663 1
1 32 . 15 1 1 A 3 3 PHE N N 14 118.700 117.573 1.127 1
1 33 . 15 1 1 A 4 4 ASN H H 15 8.000 8.162 -0.162 1
1 34 . 15 1 1 A 4 4 ASN HA H 15 4.250 4.306 -0.056 1
1 39 . 15 1 1 A 4 4 ASN C C 15 177.300 177.548 -0.248 1
1 40 . 15 1 1 A 4 4 ASN CA C 15 56.400 56.956 -0.556 1
1 41 . 15 1 1 A 4 4 ASN CB C 15 38.000 39.331 -1.331 1
1 43 . 15 1 1 A 4 4 ASN N N 15 118.300 118.875 -0.575 1
1 45 . 15 1 1 A 5 5 GLU H H 16 8.080 7.829 0.251 1
1 46 . 15 1 1 A 5 5 GLU HA H 16 3.970 4.002 -0.032 1
1 51 . 15 1 1 A 5 5 GLU C C 16 179.600 179.360 0.240 1
1 52 . 15 1 1 A 5 5 GLU CA C 16 59.200 59.490 -0.290 1
1 53 . 15 1 1 A 5 5 GLU CB C 16 29.400 29.411 -0.011 1
1 55 . 15 1 1 A 5 5 GLU N N 16 120.400 118.708 1.692 1
1 56 . 15 1 1 A 6 6 GLN H H 17 7.930 7.808 0.122 1
1 57 . 15 1 1 A 6 6 GLN HA H 17 3.560 3.970 -0.410 1
1 64 . 15 1 1 A 6 6 GLN CA C 17 58.600 58.847 -0.247 1
1 65 . 15 1 1 A 6 6 GLN CB C 17 28.100 28.267 -0.167 1
1 68 . 15 1 1 A 6 6 GLN N N 17 117.900 119.527 -1.627 1
1 70 . 15 1 1 A 7 7 LYS H H 18 8.120 7.850 0.270 1
1 71 . 15 1 1 A 7 7 LYS HA H 18 3.350 3.800 -0.450 1
1 80 . 15 1 1 A 7 7 LYS C C 18 179.900 178.299 1.601 1
1 81 . 15 1 1 A 7 7 LYS CA C 18 60.600 59.469 1.131 1
1 82 . 15 1 1 A 7 7 LYS CB C 18 32.000 32.144 -0.144 1
1 86 . 15 1 1 A 7 7 LYS N N 18 118.800 118.744 0.056 1
1 87 . 15 1 1 A 8 8 GLU H H 19 7.740 8.232 -0.492 1
1 88 . 15 1 1 A 8 8 GLU HA H 19 4.040 4.154 -0.114 1
1 93 . 15 1 1 A 8 8 GLU C C 19 179.000 179.294 -0.294 1
1 94 . 15 1 1 A 8 8 GLU CA C 19 59.800 59.354 0.446 1
1 95 . 15 1 1 A 8 8 GLU CB C 19 29.100 29.222 -0.122 1
1 97 . 15 1 1 A 8 8 GLU N N 19 121.300 117.929 3.371 1
1 98 . 15 1 1 A 9 9 LYS H H 20 7.500 7.380 0.120 1
1 99 . 15 1 1 A 9 9 LYS HA H 20 3.950 4.073 -0.123 1
1 108 . 15 1 1 A 9 9 LYS C C 20 178.100 179.573 -1.473 1
1 109 . 15 1 1 A 9 9 LYS CA C 20 60.500 59.447 1.053 1
1 110 . 15 1 1 A 9 9 LYS CB C 20 32.200 32.191 0.009 1
1 114 . 15 1 1 A 9 9 LYS N N 20 120.100 119.388 0.712 1
1 115 . 15 1 1 A 10 10 VAL H H 21 8.030 7.694 0.336 1
1 116 . 15 1 1 A 10 10 VAL HA H 21 3.410 3.702 -0.292 1
1 124 . 15 1 1 A 10 10 VAL C C 21 177.400 178.287 -0.887 1
1 125 . 15 1 1 A 10 10 VAL CA C 21 66.600 66.234 0.366 1
1 126 . 15 1 1 A 10 10 VAL CB C 21 31.800 31.798 0.002 1
1 129 . 15 1 1 A 10 10 VAL N N 21 117.300 119.871 -2.571 1
1 130 . 15 1 1 A 11 11 THR H H 22 8.230 7.983 0.247 1
1 131 . 15 1 1 A 11 11 THR HA H 22 3.580 3.913 -0.333 1
1 137 . 15 1 1 A 11 11 THR C C 22 174.700 176.258 -1.558 1
1 138 . 15 1 1 A 11 11 THR CA C 22 68.700 67.094 1.606 1
1 139 . 15 1 1 A 11 11 THR CB C 22 68.500 68.693 -0.193 1
1 141 . 15 1 1 A 11 11 THR N N 22 115.700 117.573 -1.873 1
1 142 . 15 1 1 A 12 12 LEU H H 23 7.780 8.097 -0.317 1
1 143 . 15 1 1 A 12 12 LEU HA H 23 3.930 3.995 -0.065 1
1 153 . 15 1 1 A 12 12 LEU C C 23 178.400 178.448 -0.048 1
1 154 . 15 1 1 A 12 12 LEU CA C 23 58.500 58.129 0.371 1
1 155 . 15 1 1 A 12 12 LEU CB C 23 42.300 41.684 0.616 1
1 159 . 15 1 1 A 12 12 LEU N N 23 121.400 121.344 0.056 1
1 160 . 15 1 1 A 13 13 TYR H H 24 7.970 8.376 -0.406 1
1 161 . 15 1 1 A 13 13 TYR HA H 24 3.910 4.492 -0.582 1
1 168 . 15 1 1 A 13 13 TYR C C 24 177.400 176.863 0.537 1
1 169 . 15 1 1 A 13 13 TYR CA C 24 61.700 61.378 0.322 1
1 170 . 15 1 1 A 13 13 TYR CB C 24 39.400 38.731 0.669 1
1 175 . 15 1 1 A 13 13 TYR N N 24 119.100 119.678 -0.578 1
1 176 . 15 1 1 A 14 14 LEU H H 25 8.230 8.234 -0.004 1
1 177 . 15 1 1 A 14 14 LEU HA H 25 3.400 3.370 0.030 1
1 187 . 15 1 1 A 14 14 LEU C C 25 177.200 178.431 -1.231 1
1 188 . 15 1 1 A 14 14 LEU CA C 25 57.600 57.396 0.204 1
1 189 . 15 1 1 A 14 14 LEU CB C 25 42.200 40.612 1.588 1
1 193 . 15 1 1 A 14 14 LEU N N 25 119.600 119.438 0.162 1
1 194 . 15 1 1 A 15 15 LYS H H 26 8.010 7.538 0.472 1
1 195 . 15 1 1 A 15 15 LYS HA H 26 3.230 3.733 -0.503 1
1 204 . 15 1 1 A 15 15 LYS C C 26 178.800 179.031 -0.231 1
1 205 . 15 1 1 A 15 15 LYS CA C 26 59.000 59.334 -0.334 1
1 206 . 15 1 1 A 15 15 LYS CB C 26 32.600 32.093 0.507 1
1 210 . 15 1 1 A 15 15 LYS N N 26 117.000 116.943 0.057 1
1 211 . 15 1 1 A 16 16 HIS H H 27 7.890 7.821 0.069 1
1 212 . 15 1 1 A 16 16 HIS HA H 27 4.030 4.219 -0.189 1
1 217 . 15 1 1 A 16 16 HIS C C 27 175.900 177.900 -2.000 1
1 218 . 15 1 1 A 16 16 HIS CA C 27 59.000 58.689 0.311 1
1 219 . 15 1 1 A 16 16 HIS CB C 27 30.900 28.799 2.101 1
1 222 . 15 1 1 A 16 16 HIS N N 27 113.200 116.321 -3.121 1
1 223 . 15 1 1 A 17 17 ASN H H 28 6.950 7.076 -0.126 1
1 224 . 15 1 1 A 17 17 ASN HA H 28 4.900 4.182 0.718 1
1 229 . 15 1 1 A 17 17 ASN C C 28 172.900 175.180 -2.280 1
1 230 . 15 1 1 A 17 17 ASN CA C 28 54.100 55.592 -1.492 1
1 231 . 15 1 1 A 17 17 ASN CB C 28 42.500 37.901 4.599 1
1 233 . 15 1 1 A 17 17 ASN N N 28 112.200 116.020 -3.820 1
1 235 . 15 1 1 A 18 18 ILE H H 29 7.310 8.082 -0.772 1
1 236 . 15 1 1 A 18 18 ILE HA H 29 4.560 4.137 0.423 1
1 246 . 15 1 1 A 18 18 ILE CA C 29 58.000 57.340 0.660 1
1 247 . 15 1 1 A 18 18 ILE CB C 29 38.000 39.851 -1.851 1
1 251 . 15 1 1 A 18 18 ILE N N 29 119.300 118.696 0.604 1
1 252 . 15 1 1 A 19 19 PRO HA H 30 4.170 4.471 -0.301 1
1 259 . 15 1 1 A 19 19 PRO C C 30 178.000 177.260 0.740 1
1 260 . 15 1 1 A 19 19 PRO CA C 30 65.700 64.356 1.344 1
1 261 . 15 1 1 A 19 19 PRO CB C 30 32.100 31.764 0.336 1
1 264 . 15 1 1 A 20 20 ASP H H 31 8.470 8.220 0.250 1
1 265 . 15 1 1 A 20 20 ASP HA H 31 4.790 4.709 0.081 1
1 268 . 15 1 1 A 20 20 ASP C C 31 175.600 175.883 -0.283 1
1 269 . 15 1 1 A 20 20 ASP CA C 31 53.800 53.973 -0.173 1
1 270 . 15 1 1 A 20 20 ASP CB C 31 39.600 41.279 -1.679 1
1 271 . 15 1 1 A 20 20 ASP N N 31 113.700 117.349 -3.649 1
1 272 . 15 1 1 A 21 21 PHE H H 32 7.890 7.341 0.549 1
1 273 . 15 1 1 A 21 21 PHE HA H 32 3.810 4.286 -0.476 1
1 281 . 15 1 1 A 21 21 PHE C C 32 174.200 174.701 -0.501 1
1 282 . 15 1 1 A 21 21 PHE CA C 32 61.100 59.633 1.467 1
1 283 . 15 1 1 A 21 21 PHE CB C 32 39.900 39.778 0.122 1
1 289 . 15 1 1 A 21 21 PHE N N 32 122.200 123.450 -1.250 1
1 290 . 15 1 1 A 22 22 ASN H H 33 9.380 8.448 0.932 1
1 291 . 15 1 1 A 22 22 ASN HA H 33 4.680 4.719 -0.039 1
1 296 . 15 1 1 A 22 22 ASN C C 33 173.600 174.759 -1.159 1
1 297 . 15 1 1 A 22 22 ASN CA C 33 54.600 53.980 0.620 1
1 298 . 15 1 1 A 22 22 ASN CB C 33 41.700 40.292 1.408 1
1 300 . 15 1 1 A 22 22 ASN N N 33 126.600 122.722 3.878 1
1 302 . 15 1 1 A 23 23 THR H H 34 7.010 7.168 -0.158 1
1 303 . 15 1 1 A 23 23 THR HA H 34 4.280 4.392 -0.112 1
1 308 . 15 1 1 A 23 23 THR C C 34 171.100 171.297 -0.197 1
1 309 . 15 1 1 A 23 23 THR CA C 34 60.300 60.186 0.114 1
1 310 . 15 1 1 A 23 23 THR CB C 34 71.100 70.632 0.468 1
1 312 . 15 1 1 A 23 23 THR N N 34 109.600 109.568 0.032 1
1 313 . 15 1 1 A 24 24 VAL H H 35 8.290 8.748 -0.458 1
1 314 . 15 1 1 A 24 24 VAL HA H 35 4.850 4.756 0.094 1
1 322 . 15 1 1 A 24 24 VAL C C 35 171.400 173.120 -1.720 1
1 323 . 15 1 1 A 24 24 VAL CA C 35 59.300 59.948 -0.648 1
1 324 . 15 1 1 A 24 24 VAL CB C 35 35.500 35.123 0.377 1
1 327 . 15 1 1 A 24 24 VAL N N 35 119.500 122.634 -3.134 1
1 328 . 15 1 1 A 25 25 THR H H 36 8.200 8.685 -0.485 1
1 329 . 15 1 1 A 25 25 THR HA H 36 4.150 4.438 -0.288 1
1 334 . 15 1 1 A 25 25 THR C C 36 171.900 173.220 -1.320 1
1 335 . 15 1 1 A 25 25 THR CA C 36 61.100 61.506 -0.406 1
1 336 . 15 1 1 A 25 25 THR CB C 36 70.900 68.923 1.977 1
1 338 . 15 1 1 A 25 25 THR N N 36 125.200 122.995 2.205 1
1 339 . 15 1 1 A 26 26 PHE H H 37 8.900 8.606 0.294 1
1 340 . 15 1 1 A 26 26 PHE HA H 37 5.140 4.627 0.513 1
1 348 . 15 1 1 A 26 26 PHE C C 37 176.900 176.090 0.810 1
1 349 . 15 1 1 A 26 26 PHE CA C 37 58.100 58.008 0.092 1
1 350 . 15 1 1 A 26 26 PHE CB C 37 39.900 39.957 -0.057 1
1 356 . 15 1 1 A 26 26 PHE N N 37 124.500 127.006 -2.506 1
1 357 . 15 1 1 A 27 27 THR H H 38 9.090 9.174 -0.084 1
1 358 . 15 1 1 A 27 27 THR HA H 38 4.430 4.541 -0.111 1
1 363 . 15 1 1 A 27 27 THR C C 38 174.800 174.946 -0.146 1
1 364 . 15 1 1 A 27 27 THR CA C 38 61.600 61.988 -0.388 1
1 365 . 15 1 1 A 27 27 THR CB C 38 69.400 71.128 -1.728 1
1 367 . 15 1 1 A 27 27 THR N N 38 114.000 113.257 0.743 1
1 368 . 15 1 1 A 28 28 ASN H H 39 7.880 7.810 0.070 1
1 369 . 15 1 1 A 28 28 ASN HA H 39 4.780 4.404 0.376 1
1 374 . 15 1 1 A 28 28 ASN C C 39 173.700 174.802 -1.102 1
1 375 . 15 1 1 A 28 28 ASN CA C 39 54.100 54.184 -0.084 1
1 376 . 15 1 1 A 28 28 ASN CB C 39 40.800 36.760 4.040 1
1 378 . 15 1 1 A 28 28 ASN N N 39 118.900 115.823 3.077 1
1 380 . 15 1 1 A 29 29 GLU H H 40 8.150 8.146 0.004 1
1 381 . 15 1 1 A 29 29 GLU HA H 40 4.560 4.618 -0.058 1
1 386 . 15 1 1 A 29 29 GLU C C 40 174.800 175.660 -0.860 1
1 387 . 15 1 1 A 29 29 GLU CA C 40 55.600 55.660 -0.060 1
1 388 . 15 1 1 A 29 29 GLU CB C 40 30.500 30.307 0.193 1
1 390 . 15 1 1 A 29 29 GLU N N 40 121.700 117.302 4.398 1
1 391 . 15 1 1 A 30 30 GLU H H 41 8.410 7.683 0.727 1
1 392 . 15 1 1 A 30 30 GLU HA H 41 4.410 4.806 -0.396 1
1 397 . 15 1 1 A 30 30 GLU C C 41 175.100 174.712 0.388 1
1 398 . 15 1 1 A 30 30 GLU CA C 41 55.400 56.101 -0.701 1
1 399 . 15 1 1 A 30 30 GLU CB C 41 32.200 33.457 -1.257 1
1 401 . 15 1 1 A 30 30 GLU N N 41 120.500 120.585 -0.085 1
1 402 . 15 1 1 A 31 31 PHE H H 42 8.570 8.265 0.305 1
1 403 . 15 1 1 A 31 31 PHE HA H 42 4.820 5.842 -1.022 1
1 411 . 15 1 1 A 31 31 PHE C C 42 174.800 173.448 1.352 1
1 412 . 15 1 1 A 31 31 PHE CA C 42 57.800 54.925 2.875 1
1 413 . 15 1 1 A 31 31 PHE CB C 42 40.200 42.767 -2.567 1
1 419 . 15 1 1 A 31 31 PHE N N 42 120.700 120.807 -0.107 1
1 420 . 15 1 1 A 32 32 ASN H H 43 8.350 8.773 -0.423 1
1 421 . 15 1 1 A 32 32 ASN HA H 43 4.950 5.111 -0.161 1
1 426 . 15 1 1 A 32 32 ASN CA C 43 51.600 50.854 0.746 1
1 427 . 15 1 1 A 32 32 ASN CB C 43 39.300 38.786 0.514 1
1 429 . 15 1 1 A 32 32 ASN N N 43 122.000 118.731 3.269 1
1 431 . 15 1 1 A 33 33 PRO HA H 44 4.260 4.578 -0.318 1
1 438 . 15 1 1 A 33 33 PRO C C 44 177.400 177.016 0.384 1
1 439 . 15 1 1 A 33 33 PRO CA C 44 65.300 64.503 0.797 1
1 440 . 15 1 1 A 33 33 PRO CB C 44 32.200 32.063 0.137 1
1 443 . 15 1 1 A 34 34 ILE H H 45 7.840 7.957 -0.117 1
1 444 . 15 1 1 A 34 34 ILE HA H 45 4.240 4.241 -0.001 1
1 454 . 15 1 1 A 34 34 ILE C C 45 176.400 175.511 0.889 1
1 455 . 15 1 1 A 34 34 ILE CA C 45 61.000 60.682 0.318 1
1 456 . 15 1 1 A 34 34 ILE CB C 45 38.600 38.491 0.109 1
1 460 . 15 1 1 A 34 34 ILE N N 45 113.700 114.739 -1.039 1
1 461 . 15 1 1 A 35 35 GLY H H 46 7.860 7.237 0.623 1
1 462 . 15 1 1 A 35 35 GLY HA2 H 46 3.870 4.115 -0.245 1
1 463 . 15 1 1 A 35 35 GLY HA3 H 46 4.130 4.122 0.008 1
1 464 . 15 1 1 A 35 35 GLY C C 46 172.700 172.235 0.465 1
1 465 . 15 1 1 A 35 35 GLY CA C 46 45.900 45.716 0.184 1
1 466 . 15 1 1 A 35 35 GLY N N 46 111.900 108.870 3.030 1
1 467 . 15 1 1 A 36 36 ILE H H 47 8.180 8.601 -0.421 1
1 468 . 15 1 1 A 36 36 ILE HA H 47 4.720 4.731 -0.011 1
1 478 . 15 1 1 A 36 36 ILE C C 47 174.900 175.004 -0.104 1
1 479 . 15 1 1 A 36 36 ILE CA C 47 60.500 60.291 0.209 1
1 480 . 15 1 1 A 36 36 ILE CB C 47 40.800 39.341 1.459 1
1 484 . 15 1 1 A 36 36 ILE N N 47 118.300 117.642 0.658 1
1 485 . 15 1 1 A 37 37 SER H H 48 8.430 8.773 -0.343 1
1 486 . 15 1 1 A 37 37 SER HA H 48 4.990 5.237 -0.247 1
1 489 . 15 1 1 A 37 37 SER C C 48 172.900 173.213 -0.313 1
1 490 . 15 1 1 A 37 37 SER CA C 48 57.800 57.006 0.794 1
1 491 . 15 1 1 A 37 37 SER CB C 48 65.600 65.541 0.059 1
1 492 . 15 1 1 A 37 37 SER N N 48 116.700 118.913 -2.213 1
1 493 . 15 1 1 A 38 38 ILE H H 49 9.150 9.162 -0.012 1
1 494 . 15 1 1 A 38 38 ILE HA H 49 4.720 4.782 -0.062 1
1 504 . 15 1 1 A 38 38 ILE C C 49 173.900 174.671 -0.771 1
1 505 . 15 1 1 A 38 38 ILE CA C 49 60.600 60.057 0.543 1
1 506 . 15 1 1 A 38 38 ILE CB C 49 41.000 39.987 1.013 1
1 510 . 15 1 1 A 38 38 ILE N N 49 124.300 125.940 -1.640 1
1 511 . 15 1 1 A 39 39 ASP H H 50 8.700 8.870 -0.170 1
1 512 . 15 1 1 A 39 39 ASP HA H 50 5.540 5.459 0.081 1
1 515 . 15 1 1 A 39 39 ASP C C 50 176.200 175.640 0.560 1
1 516 . 15 1 1 A 39 39 ASP CA C 50 52.300 52.263 0.037 1
1 517 . 15 1 1 A 39 39 ASP CB C 50 44.300 44.102 0.198 1
1 518 . 15 1 1 A 39 39 ASP N N 50 126.600 125.935 0.665 1
1 519 . 15 1 1 A 40 40 GLY H H 51 7.100 8.047 -0.947 1
1 520 . 15 1 1 A 40 40 GLY HA2 H 51 3.780 4.103 -0.323 1
1 521 . 15 1 1 A 40 40 GLY HA3 H 51 4.070 4.196 -0.126 1
1 522 . 15 1 1 A 40 40 GLY C C 51 170.100 171.393 -1.293 1
1 523 . 15 1 1 A 40 40 GLY CA C 51 47.200 46.038 1.162 1
1 524 . 15 1 1 A 40 40 GLY N N 51 106.400 108.607 -2.207 1
1 525 . 15 1 1 A 41 41 TYR H H 52 8.390 8.112 0.278 1
1 526 . 15 1 1 A 41 41 TYR HA H 52 5.530 5.587 -0.057 1
1 533 . 15 1 1 A 41 41 TYR C C 52 175.200 173.053 2.147 1
1 534 . 15 1 1 A 41 41 TYR CA C 52 56.000 56.110 -0.110 1
1 535 . 15 1 1 A 41 41 TYR CB C 52 39.200 41.511 -2.311 1
1 540 . 15 1 1 A 41 41 TYR N N 52 113.900 116.322 -2.422 1
1 541 . 15 1 1 A 42 42 ILE H H 53 8.420 8.649 -0.229 1
1 542 . 15 1 1 A 42 42 ILE HA H 53 5.450 4.762 0.688 1
1 552 . 15 1 1 A 42 42 ILE C C 53 174.500 175.133 -0.633 1
1 553 . 15 1 1 A 42 42 ILE CA C 53 59.300 59.432 -0.132 1
1 554 . 15 1 1 A 42 42 ILE CB C 53 40.700 41.003 -0.303 1
1 558 . 15 1 1 A 42 42 ILE N N 53 113.200 116.696 -3.496 1
1 559 . 15 1 1 A 43 43 ASN H H 54 8.760 9.107 -0.347 1
1 560 . 15 1 1 A 43 43 ASN HA H 54 4.120 4.337 -0.217 1
1 565 . 15 1 1 A 43 43 ASN C C 54 173.900 175.265 -1.365 1
1 566 . 15 1 1 A 43 43 ASN CA C 54 53.300 54.569 -1.269 1
1 567 . 15 1 1 A 43 43 ASN CB C 54 35.500 36.986 -1.486 1
1 569 . 15 1 1 A 43 43 ASN N N 54 116.700 118.764 -2.064 1
1 571 . 15 1 1 A 44 44 ASN H H 55 9.270 8.623 0.647 1
1 572 . 15 1 1 A 44 44 ASN HA H 55 4.260 4.640 -0.380 1
1 577 . 15 1 1 A 44 44 ASN C C 55 173.600 173.594 0.006 1
1 578 . 15 1 1 A 44 44 ASN CA C 55 54.800 54.396 0.404 1
1 579 . 15 1 1 A 44 44 ASN CB C 55 38.100 37.581 0.519 1
1 581 . 15 1 1 A 44 44 ASN N N 55 110.300 116.023 -5.723 1
1 583 . 15 1 1 A 45 45 ASP H H 56 8.100 8.016 0.084 1
1 584 . 15 1 1 A 45 45 ASP HA H 56 4.760 4.761 -0.001 1
1 587 . 15 1 1 A 45 45 ASP C C 56 175.900 176.208 -0.308 1
1 588 . 15 1 1 A 45 45 ASP CA C 56 52.600 52.971 -0.371 1
1 589 . 15 1 1 A 45 45 ASP CB C 56 42.000 41.719 0.281 1
1 590 . 15 1 1 A 45 45 ASP N N 56 119.500 118.492 1.008 1
1 591 . 15 1 1 A 46 46 LYS H H 57 8.260 8.601 -0.341 1
1 592 . 15 1 1 A 46 46 LYS HA H 57 2.760 3.305 -0.545 1
1 601 . 15 1 1 A 46 46 LYS C C 57 177.100 178.340 -1.240 1
1 602 . 15 1 1 A 46 46 LYS CA C 57 58.400 59.431 -1.031 1
1 603 . 15 1 1 A 46 46 LYS CB C 57 31.700 31.950 -0.250 1
1 607 . 15 1 1 A 46 46 LYS N N 57 124.100 125.824 -1.724 1
1 608 . 15 1 1 A 47 47 ASN H H 58 8.610 8.000 0.610 1
1 609 . 15 1 1 A 47 47 ASN HA H 58 4.620 4.518 0.102 1
1 614 . 15 1 1 A 47 47 ASN C C 58 177.000 176.773 0.227 1
1 615 . 15 1 1 A 47 47 ASN CA C 58 54.400 56.260 -1.860 1
1 616 . 15 1 1 A 47 47 ASN CB C 58 38.500 38.319 0.181 1
1 618 . 15 1 1 A 47 47 ASN N N 58 114.800 117.019 -2.219 1
1 620 . 15 1 1 A 48 48 LEU H H 59 8.470 7.383 1.087 1
1 621 . 15 1 1 A 48 48 LEU HA H 59 4.470 4.518 -0.048 1
1 631 . 15 1 1 A 48 48 LEU C C 59 175.300 175.703 -0.403 1
1 632 . 15 1 1 A 48 48 LEU CA C 59 52.800 54.293 -1.493 1
1 633 . 15 1 1 A 48 48 LEU CB C 59 39.100 40.405 -1.305 1
1 637 . 15 1 1 A 48 48 LEU N N 59 125.800 120.602 5.198 1
1 638 . 15 1 1 A 49 49 SER H H 60 7.270 8.718 -1.448 1
1 639 . 15 1 1 A 49 49 SER HA H 60 5.230 4.992 0.238 1
1 642 . 15 1 1 A 49 49 SER C C 60 173.200 173.982 -0.782 1
1 643 . 15 1 1 A 49 49 SER CA C 60 56.900 58.564 -1.664 1
1 644 . 15 1 1 A 49 49 SER CB C 60 66.500 64.142 2.358 1
1 645 . 15 1 1 A 49 49 SER N N 60 112.400 120.754 -8.354 1
1 646 . 15 1 1 A 50 50 PHE H H 61 8.260 9.434 -1.174 1
1 647 . 15 1 1 A 50 50 PHE HA H 61 5.490 5.368 0.122 1
1 655 . 15 1 1 A 50 50 PHE C C 61 174.500 173.461 1.039 1
1 656 . 15 1 1 A 50 50 PHE CA C 61 56.300 57.118 -0.818 1
1 657 . 15 1 1 A 50 50 PHE CB C 61 44.600 42.552 2.048 1
1 663 . 15 1 1 A 50 50 PHE N N 61 114.200 127.315 -13.115 1
1 664 . 15 1 1 A 51 51 THR H H 62 8.520 8.760 -0.240 1
1 665 . 15 1 1 A 51 51 THR HA H 62 5.140 5.044 0.096 1
1 670 . 15 1 1 A 51 51 THR C C 62 172.600 172.872 -0.272 1
1 671 . 15 1 1 A 51 51 THR CA C 62 62.000 60.707 1.293 1
1 672 . 15 1 1 A 51 51 THR CB C 62 72.000 71.984 0.016 1
1 674 . 15 1 1 A 51 51 THR N N 62 116.000 121.737 -5.737 1
1 675 . 15 1 1 A 52 52 ALA H H 63 9.870 8.482 1.388 1
1 676 . 15 1 1 A 52 52 ALA HA H 63 5.180 5.049 0.131 1
1 680 . 15 1 1 A 52 52 ALA C C 63 176.300 176.660 -0.360 1
1 681 . 15 1 1 A 52 52 ALA CA C 63 50.300 50.408 -0.108 1
1 682 . 15 1 1 A 52 52 ALA CB C 63 24.000 22.923 1.077 1
1 683 . 15 1 1 A 52 52 ALA N N 63 130.400 126.537 3.863 1
1 684 . 15 1 1 A 53 53 GLY H H 64 8.340 8.694 -0.354 1
1 685 . 15 1 1 A 53 53 GLY HA2 H 64 3.630 4.135 -0.505 1
1 686 . 15 1 1 A 53 53 GLY HA3 H 64 4.830 4.140 0.690 1
1 687 . 15 1 1 A 53 53 GLY C C 64 173.200 172.600 0.600 1
1 688 . 15 1 1 A 53 53 GLY CA C 64 43.200 44.346 -1.146 1
1 689 . 15 1 1 A 53 53 GLY N N 64 107.100 109.094 -1.994 1
1 690 . 15 1 1 A 54 54 LYS H H 65 8.430 8.207 0.223 1
1 691 . 15 1 1 A 54 54 LYS HA H 65 3.750 3.938 -0.188 1
1 700 . 15 1 1 A 54 54 LYS CA C 65 58.300 57.824 0.476 1
1 701 . 15 1 1 A 54 54 LYS CB C 65 32.600 32.168 0.432 1
1 705 . 15 1 1 A 54 54 LYS N N 65 119.300 121.005 -1.705 1
1 708 . 15 1 1 A 55 55 ASP C C 66 172.900 175.864 -2.964 1
1 709 . 15 1 1 A 56 56 VAL H H 67 8.510 7.957 0.553 1
1 710 . 15 1 1 A 56 56 VAL HA H 67 3.100 3.682 -0.582 1
1 718 . 15 1 1 A 56 56 VAL C C 67 176.400 175.993 0.407 1
1 719 . 15 1 1 A 56 56 VAL CA C 67 62.800 64.912 -2.112 1
1 720 . 15 1 1 A 56 56 VAL CB C 67 30.400 30.280 0.120 1
1 723 . 15 1 1 A 56 56 VAL N N 67 112.700 109.728 2.972 1
1 724 . 15 1 1 A 57 57 LYS H H 68 7.580 8.659 -1.079 1
1 725 . 15 1 1 A 57 57 LYS HA H 68 4.000 3.989 0.011 1
1 734 . 15 1 1 A 57 57 LYS C C 68 176.700 175.565 1.135 1
1 735 . 15 1 1 A 57 57 LYS CA C 68 58.400 58.570 -0.170 1
1 736 . 15 1 1 A 57 57 LYS CB C 68 32.100 31.134 0.966 1
1 740 . 15 1 1 A 57 57 LYS N N 68 118.700 121.445 -2.745 1
1 741 . 15 1 1 A 58 58 ILE H H 69 7.160 8.561 -1.401 1
1 742 . 15 1 1 A 58 58 ILE HA H 69 4.270 4.753 -0.483 1
1 752 . 15 1 1 A 58 58 ILE C C 69 174.300 175.600 -1.300 1
1 753 . 15 1 1 A 58 58 ILE CA C 69 59.900 60.312 -0.412 1
1 754 . 15 1 1 A 58 58 ILE CB C 69 41.000 39.710 1.290 1
1 758 . 15 1 1 A 58 58 ILE N N 69 115.700 119.904 -4.204 1
1 759 . 15 1 1 A 59 59 PHE H H 70 8.560 8.761 -0.201 1
1 760 . 15 1 1 A 59 59 PHE HA H 70 4.890 5.474 -0.584 1
1 765 . 15 1 1 A 59 59 PHE C C 70 173.500 172.339 1.161 1
1 766 . 15 1 1 A 59 59 PHE CA C 70 58.700 55.371 3.329 1
1 767 . 15 1 1 A 59 59 PHE CB C 70 42.400 42.735 -0.335 1
1 770 . 15 1 1 A 59 59 PHE N N 70 127.500 123.909 3.591 1
1 771 . 15 1 1 A 60 60 SER H H 71 8.430 9.507 -1.077 1
1 772 . 15 1 1 A 60 60 SER HA H 71 4.850 5.363 -0.513 1
1 775 . 15 1 1 A 60 60 SER C C 71 172.100 172.439 -0.339 1
1 776 . 15 1 1 A 60 60 SER CA C 71 56.900 56.652 0.248 1
1 777 . 15 1 1 A 60 60 SER CB C 71 65.000 65.987 -0.987 1
1 778 . 15 1 1 A 60 60 SER N N 71 124.200 115.588 8.612 1
1 779 . 15 1 1 A 61 61 SER H H 72 8.630 8.949 -0.319 1
1 780 . 15 1 1 A 61 61 SER HA H 72 5.380 5.250 0.130 1
1 783 . 15 1 1 A 61 61 SER C C 72 174.700 173.329 1.371 1
1 784 . 15 1 1 A 61 61 SER CA C 72 57.400 57.202 0.198 1
1 785 . 15 1 1 A 61 61 SER CB C 72 68.200 66.473 1.727 1
1 786 . 15 1 1 A 61 61 SER N N 72 116.900 118.079 -1.179 1
1 787 . 15 1 1 A 62 62 SER H H 73 8.810 8.597 0.213 1
1 788 . 15 1 1 A 62 62 SER HA H 73 4.570 4.726 -0.156 1
1 792 . 15 1 1 A 62 62 SER C C 73 175.000 176.100 -1.100 1
1 793 . 15 1 1 A 62 62 SER CA C 73 57.600 57.332 0.268 1
1 794 . 15 1 1 A 62 62 SER CB C 73 65.400 65.333 0.067 1
1 795 . 15 1 1 A 62 62 SER N N 73 117.000 116.070 0.930 1
1 796 . 15 1 1 A 63 63 GLU H H 74 9.240 9.108 0.132 1
1 797 . 15 1 1 A 63 63 GLU HA H 74 4.140 4.054 0.086 1
1 802 . 15 1 1 A 63 63 GLU C C 74 179.000 178.501 0.499 1
1 803 . 15 1 1 A 63 63 GLU CA C 74 60.100 59.812 0.288 1
1 804 . 15 1 1 A 63 63 GLU CB C 74 29.600 29.497 0.103 1
1 806 . 15 1 1 A 63 63 GLU N N 74 123.600 120.812 2.788 1
1 807 . 15 1 1 A 64 64 GLU H H 75 8.970 8.080 0.890 1
1 808 . 15 1 1 A 64 64 GLU HA H 75 3.950 4.078 -0.128 1
1 813 . 15 1 1 A 64 64 GLU C C 75 179.000 179.201 -0.201 1
1 814 . 15 1 1 A 64 64 GLU CA C 75 60.100 59.178 0.922 1
1 815 . 15 1 1 A 64 64 GLU CB C 75 29.500 29.478 0.022 1
1 817 . 15 1 1 A 64 64 GLU N N 75 117.000 120.601 -3.601 1
1 818 . 15 1 1 A 65 65 LEU H H 76 7.740 7.598 0.142 1
1 819 . 15 1 1 A 65 65 LEU HA H 76 4.330 4.194 0.136 1
1 829 . 15 1 1 A 65 65 LEU C C 76 178.900 178.285 0.615 1
1 830 . 15 1 1 A 65 65 LEU CA C 76 57.500 57.232 0.268 1
1 831 . 15 1 1 A 65 65 LEU CB C 76 41.800 41.997 -0.197 1
1 835 . 15 1 1 A 65 65 LEU N N 76 119.900 121.844 -1.944 1
1 836 . 15 1 1 A 66 66 ASP H H 77 8.620 8.758 -0.138 1
1 837 . 15 1 1 A 66 66 ASP HA H 77 4.580 4.502 0.078 1
1 840 . 15 1 1 A 66 66 ASP C C 77 178.800 178.550 0.250 1
1 841 . 15 1 1 A 66 66 ASP CA C 77 58.300 58.288 0.012 1
1 842 . 15 1 1 A 66 66 ASP CB C 77 42.100 41.323 0.777 1
1 843 . 15 1 1 A 66 66 ASP N N 77 120.300 119.731 0.569 1
1 844 . 15 1 1 A 67 67 LYS H H 78 7.210 8.037 -0.827 1
1 845 . 15 1 1 A 67 67 LYS HA H 78 4.240 4.236 0.004 1
1 854 . 15 1 1 A 67 67 LYS C C 78 177.400 177.404 -0.004 1
1 855 . 15 1 1 A 67 67 LYS CA C 78 58.000 58.680 -0.680 1
1 856 . 15 1 1 A 67 67 LYS CB C 78 33.000 31.491 1.509 1
1 860 . 15 1 1 A 67 67 LYS N N 78 113.200 117.954 -4.754 1
1 861 . 15 1 1 A 68 68 MET H H 79 8.210 8.375 -0.165 1
1 862 . 15 1 1 A 68 68 MET HA H 79 4.270 4.602 -0.332 1
1 870 . 15 1 1 A 68 68 MET C C 79 176.800 176.604 0.196 1
1 871 . 15 1 1 A 68 68 MET CA C 79 56.800 55.151 1.649 1
1 872 . 15 1 1 A 68 68 MET CB C 79 33.900 31.550 2.350 1
1 875 . 15 1 1 A 68 68 MET N N 79 116.400 117.946 -1.546 1
1 876 . 15 1 1 A 69 69 PHE H H 80 7.330 7.612 -0.282 1
1 877 . 15 1 1 A 69 69 PHE HA H 80 4.300 4.479 -0.179 1
1 882 . 15 1 1 A 69 69 PHE C C 80 176.900 175.744 1.156 1
1 883 . 15 1 1 A 69 69 PHE CA C 80 59.300 59.326 -0.026 1
1 884 . 15 1 1 A 69 69 PHE CB C 80 40.600 39.168 1.432 1
1 887 . 15 1 1 A 69 69 PHE N N 80 118.100 119.785 -1.685 1
1 888 . 15 1 1 A 70 70 GLN H H 81 8.540 8.647 -0.107 1
1 889 . 15 1 1 A 70 70 GLN HA H 81 4.450 4.397 0.053 1
1 896 . 15 1 1 A 70 70 GLN C C 81 174.200 175.819 -1.619 1
1 897 . 15 1 1 A 70 70 GLN CA C 81 55.000 57.379 -2.379 1
1 898 . 15 1 1 A 70 70 GLN CB C 81 29.400 29.621 -0.221 1
1 901 . 15 1 1 A 70 70 GLN N N 81 121.600 124.923 -3.323 1
1 903 . 15 1 1 A 71 71 GLU H H 82 8.340 7.869 0.471 1
1 904 . 15 1 1 A 71 71 GLU HA H 82 4.780 4.606 0.174 1
1 909 . 15 1 1 A 71 71 GLU CA C 82 53.100 54.574 -1.474 1
1 910 . 15 1 1 A 71 71 GLU CB C 82 30.600 30.517 0.083 1
1 912 . 15 1 1 A 71 71 GLU N N 82 122.900 116.300 6.600 1
1 913 . 15 1 1 A 72 72 PRO HA H 83 4.880 4.577 0.303 1
1 920 . 15 1 1 A 72 72 PRO C C 83 176.200 176.703 -0.503 1
1 921 . 15 1 1 A 72 72 PRO CA C 83 62.100 62.740 -0.640 1
1 922 . 15 1 1 A 72 72 PRO CB C 83 33.800 32.429 1.371 1
1 925 . 15 1 1 A 73 73 ARG H H 84 8.580 8.494 0.086 1
1 926 . 15 1 1 A 73 73 ARG HA H 84 4.390 4.685 -0.295 1
1 934 . 15 1 1 A 73 73 ARG C C 84 176.000 176.622 -0.622 1
1 935 . 15 1 1 A 73 73 ARG CA C 84 56.000 56.720 -0.720 1
1 936 . 15 1 1 A 73 73 ARG CB C 84 31.100 30.981 0.119 1
1 940 . 15 1 1 A 73 73 ARG N N 84 123.400 122.815 0.585 1
1 942 . 15 1 1 A 74 74 LYS H H 85 9.080 9.075 0.005 1
1 943 . 15 1 1 A 74 74 LYS HA H 85 4.540 5.172 -0.632 1
1 952 . 15 1 1 A 74 74 LYS C C 85 176.500 176.779 -0.279 1
1 953 . 15 1 1 A 74 74 LYS CA C 85 55.000 54.745 0.255 1
1 954 . 15 1 1 A 74 74 LYS CB C 85 34.900 36.352 -1.452 1
1 958 . 15 1 1 A 74 74 LYS N N 85 123.300 122.854 0.446 1
1 959 . 15 1 1 A 75 75 GLY H H 86 8.870 8.781 0.089 1
1 960 . 15 1 1 A 75 75 GLY HA2 H 86 3.930 4.238 -0.308 1
1 961 . 15 1 1 A 75 75 GLY HA3 H 86 4.350 4.329 0.021 1
1 962 . 15 1 1 A 75 75 GLY C C 86 174.000 175.172 -1.172 1
1 963 . 15 1 1 A 75 75 GLY CA C 86 44.600 44.856 -0.256 1
1 964 . 15 1 1 A 75 75 GLY N N 86 108.700 110.484 -1.784 1
1 965 . 15 1 1 A 76 76 TYR H H 87 8.880 9.302 -0.422 1
1 966 . 15 1 1 A 76 76 TYR HA H 87 3.930 4.205 -0.275 1
1 973 . 15 1 1 A 76 76 TYR C C 87 175.800 177.178 -1.378 1
1 974 . 15 1 1 A 76 76 TYR CA C 87 62.900 61.575 1.325 1
1 975 . 15 1 1 A 76 76 TYR CB C 87 38.700 38.856 -0.156 1
1 980 . 15 1 1 A 76 76 TYR N N 87 120.400 120.783 -0.383 1
1 981 . 15 1 1 A 77 77 ASP H H 88 8.450 8.125 0.325 1
1 982 . 15 1 1 A 77 77 ASP HA H 88 4.000 4.071 -0.071 1
1 985 . 15 1 1 A 77 77 ASP C C 88 178.200 178.827 -0.627 1
1 986 . 15 1 1 A 77 77 ASP CA C 88 57.000 57.232 -0.232 1
1 987 . 15 1 1 A 77 77 ASP CB C 88 39.600 40.186 -0.586 1
1 988 . 15 1 1 A 77 77 ASP N N 88 115.800 119.526 -3.726 1
1 989 . 15 1 1 A 78 78 GLU H H 89 7.520 8.278 -0.758 1
1 990 . 15 1 1 A 78 78 GLU HA H 89 4.020 4.113 -0.093 1
1 995 . 15 1 1 A 78 78 GLU C C 89 178.500 178.996 -0.496 1
1 996 . 15 1 1 A 78 78 GLU CA C 89 58.500 59.066 -0.566 1
1 997 . 15 1 1 A 78 78 GLU CB C 89 30.100 29.642 0.458 1
1 999 . 15 1 1 A 78 78 GLU N N 89 119.600 119.387 0.213 1
1 1000 . 15 1 1 A 79 79 ILE H H 90 7.850 7.441 0.409 1
1 1001 . 15 1 1 A 79 79 ILE HA H 90 3.300 3.730 -0.430 1
1 1011 . 15 1 1 A 79 79 ILE C C 90 177.700 177.934 -0.234 1
1 1012 . 15 1 1 A 79 79 ILE CA C 90 64.600 64.302 0.298 1
1 1013 . 15 1 1 A 79 79 ILE CB C 90 37.700 36.874 0.826 1
1 1017 . 15 1 1 A 79 79 ILE N N 90 121.700 120.030 1.670 1
1 1018 . 15 1 1 A 80 80 LEU H H 91 7.710 7.750 -0.040 1
1 1019 . 15 1 1 A 80 80 LEU HA H 91 3.780 3.896 -0.116 1
1 1029 . 15 1 1 A 80 80 LEU C C 91 178.600 178.488 0.112 1
1 1030 . 15 1 1 A 80 80 LEU CA C 91 56.900 58.325 -1.425 1
1 1031 . 15 1 1 A 80 80 LEU CB C 91 41.600 41.437 0.163 1
1 1035 . 15 1 1 A 80 80 LEU N N 91 120.500 123.491 -2.991 1
1 1036 . 15 1 1 A 81 81 GLU H H 92 7.620 7.864 -0.244 1
1 1037 . 15 1 1 A 81 81 GLU HA H 92 3.960 3.992 -0.032 1
1 1042 . 15 1 1 A 81 81 GLU C C 92 177.400 176.060 1.340 1
1 1043 . 15 1 1 A 81 81 GLU CA C 92 58.300 58.794 -0.494 1
1 1044 . 15 1 1 A 81 81 GLU CB C 92 29.700 29.582 0.118 1
1 1046 . 15 1 1 A 81 81 GLU N N 92 118.100 119.608 -1.508 1
1 1047 . 15 1 1 A 82 82 HIS H H 93 7.840 7.615 0.225 1
1 1048 . 15 1 1 A 82 82 HIS HA H 93 4.440 5.033 -0.593 1
1 1051 . 15 1 1 A 82 82 HIS C C 93 175.600 174.585 1.015 1
1 1052 . 15 1 1 A 82 82 HIS CA C 93 57.000 54.366 2.634 1
1 1053 . 15 1 1 A 82 82 HIS CB C 93 29.800 31.837 -2.037 1
1 1054 . 15 1 1 A 82 82 HIS N N 93 116.900 116.703 0.197 1
1 1055 . 15 1 1 A 83 83 HIS H H 94 8.080 8.715 -0.635 1
1 1056 . 15 1 1 A 83 83 HIS HA H 94 4.480 4.686 -0.206 1
1 1059 . 15 1 1 A 83 83 HIS CA C 94 56.700 57.205 -0.505 1
1 1060 . 15 1 1 A 83 83 HIS CB C 94 29.900 32.027 -2.127 1
1 1 . 16 1 1 A 2 2 PHE HA H 13 4.400 4.276 0.124 1
1 9 . 16 1 1 A 2 2 PHE C C 13 176.400 176.910 -0.510 1
1 10 . 16 1 1 A 2 2 PHE CA C 13 60.700 59.357 1.343 1
1 11 . 16 1 1 A 2 2 PHE CB C 13 39.700 37.399 2.301 1
1 17 . 16 1 1 A 3 3 PHE H H 14 9.000 7.349 1.651 1
1 18 . 16 1 1 A 3 3 PHE HA H 14 4.000 4.061 -0.061 1
1 25 . 16 1 1 A 3 3 PHE C C 14 177.400 178.221 -0.821 1
1 26 . 16 1 1 A 3 3 PHE CA C 14 61.400 62.145 -0.745 1
1 27 . 16 1 1 A 3 3 PHE CB C 14 38.400 38.402 -0.002 1
1 32 . 16 1 1 A 3 3 PHE N N 14 118.700 117.843 0.857 1
1 33 . 16 1 1 A 4 4 ASN H H 15 8.000 7.825 0.175 1
1 34 . 16 1 1 A 4 4 ASN HA H 15 4.250 4.165 0.085 1
1 39 . 16 1 1 A 4 4 ASN C C 15 177.300 178.638 -1.338 1
1 40 . 16 1 1 A 4 4 ASN CA C 15 56.400 56.447 -0.047 1
1 41 . 16 1 1 A 4 4 ASN CB C 15 38.000 37.833 0.167 1
1 43 . 16 1 1 A 4 4 ASN N N 15 118.300 116.948 1.352 1
1 45 . 16 1 1 A 5 5 GLU H H 16 8.080 8.056 0.024 1
1 46 . 16 1 1 A 5 5 GLU HA H 16 3.970 4.060 -0.090 1
1 51 . 16 1 1 A 5 5 GLU C C 16 179.600 179.452 0.148 1
1 52 . 16 1 1 A 5 5 GLU CA C 16 59.200 59.143 0.057 1
1 53 . 16 1 1 A 5 5 GLU CB C 16 29.400 29.266 0.134 1
1 55 . 16 1 1 A 5 5 GLU N N 16 120.400 120.559 -0.159 1
1 56 . 16 1 1 A 6 6 GLN H H 17 7.930 7.664 0.266 1
1 57 . 16 1 1 A 6 6 GLN HA H 17 3.560 3.911 -0.351 1
1 64 . 16 1 1 A 6 6 GLN CA C 17 58.600 58.993 -0.393 1
1 65 . 16 1 1 A 6 6 GLN CB C 17 28.100 28.405 -0.305 1
1 68 . 16 1 1 A 6 6 GLN N N 17 117.900 119.582 -1.682 1
1 70 . 16 1 1 A 7 7 LYS H H 18 8.120 7.568 0.552 1
1 71 . 16 1 1 A 7 7 LYS HA H 18 3.350 3.957 -0.607 1
1 80 . 16 1 1 A 7 7 LYS C C 18 179.900 179.035 0.865 1
1 81 . 16 1 1 A 7 7 LYS CA C 18 60.600 59.494 1.106 1
1 82 . 16 1 1 A 7 7 LYS CB C 18 32.000 31.761 0.239 1
1 86 . 16 1 1 A 7 7 LYS N N 18 118.800 118.194 0.606 1
1 87 . 16 1 1 A 8 8 GLU H H 19 7.740 7.744 -0.004 1
1 88 . 16 1 1 A 8 8 GLU HA H 19 4.040 4.066 -0.026 1
1 93 . 16 1 1 A 8 8 GLU C C 19 179.000 179.357 -0.357 1
1 94 . 16 1 1 A 8 8 GLU CA C 19 59.800 59.448 0.352 1
1 95 . 16 1 1 A 8 8 GLU CB C 19 29.100 29.163 -0.063 1
1 97 . 16 1 1 A 8 8 GLU N N 19 121.300 119.966 1.334 1
1 98 . 16 1 1 A 9 9 LYS H H 20 7.500 7.394 0.106 1
1 99 . 16 1 1 A 9 9 LYS HA H 20 3.950 3.986 -0.036 1
1 108 . 16 1 1 A 9 9 LYS C C 20 178.100 179.473 -1.373 1
1 109 . 16 1 1 A 9 9 LYS CA C 20 60.500 59.352 1.148 1
1 110 . 16 1 1 A 9 9 LYS CB C 20 32.200 31.947 0.253 1
1 114 . 16 1 1 A 9 9 LYS N N 20 120.100 119.288 0.812 1
1 115 . 16 1 1 A 10 10 VAL H H 21 8.030 7.639 0.391 1
1 116 . 16 1 1 A 10 10 VAL HA H 21 3.410 3.663 -0.253 1
1 124 . 16 1 1 A 10 10 VAL C C 21 177.400 178.117 -0.717 1
1 125 . 16 1 1 A 10 10 VAL CA C 21 66.600 66.219 0.381 1
1 126 . 16 1 1 A 10 10 VAL CB C 21 31.800 31.805 -0.005 1
1 129 . 16 1 1 A 10 10 VAL N N 21 117.300 119.653 -2.353 1
1 130 . 16 1 1 A 11 11 THR H H 22 8.230 8.296 -0.066 1
1 131 . 16 1 1 A 11 11 THR HA H 22 3.580 3.812 -0.232 1
1 137 . 16 1 1 A 11 11 THR C C 22 174.700 176.164 -1.464 1
1 138 . 16 1 1 A 11 11 THR CA C 22 68.700 66.822 1.878 1
1 139 . 16 1 1 A 11 11 THR CB C 22 68.500 68.280 0.220 1
1 141 . 16 1 1 A 11 11 THR N N 22 115.700 117.474 -1.774 1
1 142 . 16 1 1 A 12 12 LEU H H 23 7.780 8.209 -0.429 1
1 143 . 16 1 1 A 12 12 LEU HA H 23 3.930 3.796 0.134 1
1 153 . 16 1 1 A 12 12 LEU C C 23 178.400 178.278 0.122 1
1 154 . 16 1 1 A 12 12 LEU CA C 23 58.500 58.058 0.442 1
1 155 . 16 1 1 A 12 12 LEU CB C 23 42.300 41.625 0.675 1
1 159 . 16 1 1 A 12 12 LEU N N 23 121.400 121.300 0.100 1
1 160 . 16 1 1 A 13 13 TYR H H 24 7.970 8.440 -0.470 1
1 161 . 16 1 1 A 13 13 TYR HA H 24 3.910 4.200 -0.290 1
1 168 . 16 1 1 A 13 13 TYR C C 24 177.400 177.133 0.267 1
1 169 . 16 1 1 A 13 13 TYR CA C 24 61.700 61.537 0.163 1
1 170 . 16 1 1 A 13 13 TYR CB C 24 39.400 38.661 0.739 1
1 175 . 16 1 1 A 13 13 TYR N N 24 119.100 119.540 -0.440 1
1 176 . 16 1 1 A 14 14 LEU H H 25 8.230 8.286 -0.056 1
1 177 . 16 1 1 A 14 14 LEU HA H 25 3.400 3.465 -0.065 1
1 187 . 16 1 1 A 14 14 LEU C C 25 177.200 179.019 -1.819 1
1 188 . 16 1 1 A 14 14 LEU CA C 25 57.600 57.737 -0.137 1
1 189 . 16 1 1 A 14 14 LEU CB C 25 42.200 41.120 1.080 1
1 193 . 16 1 1 A 14 14 LEU N N 25 119.600 119.639 -0.039 1
1 194 . 16 1 1 A 15 15 LYS H H 26 8.010 7.310 0.700 1
1 195 . 16 1 1 A 15 15 LYS HA H 26 3.230 3.825 -0.595 1
1 204 . 16 1 1 A 15 15 LYS C C 26 178.800 179.352 -0.552 1
1 205 . 16 1 1 A 15 15 LYS CA C 26 59.000 58.506 0.494 1
1 206 . 16 1 1 A 15 15 LYS CB C 26 32.600 31.580 1.020 1
1 210 . 16 1 1 A 15 15 LYS N N 26 117.000 117.488 -0.488 1
1 211 . 16 1 1 A 16 16 HIS H H 27 7.890 7.244 0.646 1
1 212 . 16 1 1 A 16 16 HIS HA H 27 4.030 4.139 -0.109 1
1 217 . 16 1 1 A 16 16 HIS C C 27 175.900 176.445 -0.545 1
1 218 . 16 1 1 A 16 16 HIS CA C 27 59.000 59.827 -0.827 1
1 219 . 16 1 1 A 16 16 HIS CB C 27 30.900 30.140 0.760 1
1 222 . 16 1 1 A 16 16 HIS N N 27 113.200 118.700 -5.500 1
1 223 . 16 1 1 A 17 17 ASN H H 28 6.950 7.081 -0.131 1
1 224 . 16 1 1 A 17 17 ASN HA H 28 4.900 4.404 0.496 1
1 229 . 16 1 1 A 17 17 ASN C C 28 172.900 174.489 -1.589 1
1 230 . 16 1 1 A 17 17 ASN CA C 28 54.100 53.646 0.454 1
1 231 . 16 1 1 A 17 17 ASN CB C 28 42.500 38.540 3.960 1
1 233 . 16 1 1 A 17 17 ASN N N 28 112.200 113.605 -1.405 1
1 235 . 16 1 1 A 18 18 ILE H H 29 7.310 7.656 -0.346 1
1 236 . 16 1 1 A 18 18 ILE HA H 29 4.560 4.480 0.080 1
1 246 . 16 1 1 A 18 18 ILE CA C 29 58.000 57.977 0.023 1
1 247 . 16 1 1 A 18 18 ILE CB C 29 38.000 38.838 -0.838 1
1 251 . 16 1 1 A 18 18 ILE N N 29 119.300 118.975 0.325 1
1 252 . 16 1 1 A 19 19 PRO HA H 30 4.170 4.331 -0.161 1
1 259 . 16 1 1 A 19 19 PRO C C 30 178.000 177.472 0.528 1
1 260 . 16 1 1 A 19 19 PRO CA C 30 65.700 65.079 0.621 1
1 261 . 16 1 1 A 19 19 PRO CB C 30 32.100 31.782 0.318 1
1 264 . 16 1 1 A 20 20 ASP H H 31 8.470 8.417 0.053 1
1 265 . 16 1 1 A 20 20 ASP HA H 31 4.790 4.679 0.111 1
1 268 . 16 1 1 A 20 20 ASP C C 31 175.600 175.978 -0.378 1
1 269 . 16 1 1 A 20 20 ASP CA C 31 53.800 53.967 -0.167 1
1 270 . 16 1 1 A 20 20 ASP CB C 31 39.600 40.581 -0.981 1
1 271 . 16 1 1 A 20 20 ASP N N 31 113.700 117.139 -3.439 1
1 272 . 16 1 1 A 21 21 PHE H H 32 7.890 7.818 0.072 1
1 273 . 16 1 1 A 21 21 PHE HA H 32 3.810 4.353 -0.543 1
1 281 . 16 1 1 A 21 21 PHE C C 32 174.200 175.132 -0.932 1
1 282 . 16 1 1 A 21 21 PHE CA C 32 61.100 59.614 1.486 1
1 283 . 16 1 1 A 21 21 PHE CB C 32 39.900 39.914 -0.014 1
1 289 . 16 1 1 A 21 21 PHE N N 32 122.200 123.593 -1.393 1
1 290 . 16 1 1 A 22 22 ASN H H 33 9.380 8.333 1.047 1
1 291 . 16 1 1 A 22 22 ASN HA H 33 4.680 4.715 -0.035 1
1 296 . 16 1 1 A 22 22 ASN C C 33 173.600 174.720 -1.120 1
1 297 . 16 1 1 A 22 22 ASN CA C 33 54.600 54.789 -0.189 1
1 298 . 16 1 1 A 22 22 ASN CB C 33 41.700 38.748 2.952 1
1 300 . 16 1 1 A 22 22 ASN N N 33 126.600 123.099 3.501 1
1 302 . 16 1 1 A 23 23 THR H H 34 7.010 7.111 -0.101 1
1 303 . 16 1 1 A 23 23 THR HA H 34 4.280 4.654 -0.374 1
1 308 . 16 1 1 A 23 23 THR C C 34 171.100 171.179 -0.079 1
1 309 . 16 1 1 A 23 23 THR CA C 34 60.300 60.395 -0.095 1
1 310 . 16 1 1 A 23 23 THR CB C 34 71.100 70.488 0.612 1
1 312 . 16 1 1 A 23 23 THR N N 34 109.600 108.970 0.630 1
1 313 . 16 1 1 A 24 24 VAL H H 35 8.290 8.961 -0.671 1
1 314 . 16 1 1 A 24 24 VAL HA H 35 4.850 4.995 -0.145 1
1 322 . 16 1 1 A 24 24 VAL C C 35 171.400 173.617 -2.217 1
1 323 . 16 1 1 A 24 24 VAL CA C 35 59.300 59.898 -0.598 1
1 324 . 16 1 1 A 24 24 VAL CB C 35 35.500 35.454 0.046 1
1 327 . 16 1 1 A 24 24 VAL N N 35 119.500 122.787 -3.287 1
1 328 . 16 1 1 A 25 25 THR H H 36 8.200 8.690 -0.490 1
1 329 . 16 1 1 A 25 25 THR HA H 36 4.150 4.911 -0.761 1
1 334 . 16 1 1 A 25 25 THR C C 36 171.900 173.317 -1.417 1
1 335 . 16 1 1 A 25 25 THR CA C 36 61.100 60.659 0.441 1
1 336 . 16 1 1 A 25 25 THR CB C 36 70.900 70.875 0.025 1
1 338 . 16 1 1 A 25 25 THR N N 36 125.200 123.293 1.907 1
1 339 . 16 1 1 A 26 26 PHE H H 37 8.900 9.006 -0.106 1
1 340 . 16 1 1 A 26 26 PHE HA H 37 5.140 4.997 0.143 1
1 348 . 16 1 1 A 26 26 PHE C C 37 176.900 175.176 1.724 1
1 349 . 16 1 1 A 26 26 PHE CA C 37 58.100 56.630 1.470 1
1 350 . 16 1 1 A 26 26 PHE CB C 37 39.900 40.467 -0.567 1
1 356 . 16 1 1 A 26 26 PHE N N 37 124.500 125.778 -1.278 1
1 357 . 16 1 1 A 27 27 THR H H 38 9.090 8.702 0.388 1
1 358 . 16 1 1 A 27 27 THR HA H 38 4.430 4.627 -0.197 1
1 363 . 16 1 1 A 27 27 THR C C 38 174.800 173.645 1.155 1
1 364 . 16 1 1 A 27 27 THR CA C 38 61.600 61.266 0.334 1
1 365 . 16 1 1 A 27 27 THR CB C 38 69.400 70.471 -1.071 1
1 367 . 16 1 1 A 27 27 THR N N 38 114.000 118.916 -4.916 1
1 368 . 16 1 1 A 28 28 ASN H H 39 7.880 7.732 0.148 1
1 369 . 16 1 1 A 28 28 ASN HA H 39 4.780 5.229 -0.449 1
1 374 . 16 1 1 A 28 28 ASN C C 39 173.700 173.349 0.351 1
1 375 . 16 1 1 A 28 28 ASN CA C 39 54.100 53.276 0.824 1
1 376 . 16 1 1 A 28 28 ASN CB C 39 40.800 40.392 0.408 1
1 378 . 16 1 1 A 28 28 ASN N N 39 118.900 119.539 -0.639 1
1 380 . 16 1 1 A 29 29 GLU H H 40 8.150 9.094 -0.944 1
1 381 . 16 1 1 A 29 29 GLU HA H 40 4.560 5.153 -0.593 1
1 386 . 16 1 1 A 29 29 GLU C C 40 174.800 174.905 -0.105 1
1 387 . 16 1 1 A 29 29 GLU CA C 40 55.600 54.675 0.925 1
1 388 . 16 1 1 A 29 29 GLU CB C 40 30.500 33.233 -2.733 1
1 390 . 16 1 1 A 29 29 GLU N N 40 121.700 123.296 -1.596 1
1 391 . 16 1 1 A 30 30 GLU H H 41 8.410 8.900 -0.490 1
1 392 . 16 1 1 A 30 30 GLU HA H 41 4.410 4.842 -0.432 1
1 397 . 16 1 1 A 30 30 GLU C C 41 175.100 175.128 -0.028 1
1 398 . 16 1 1 A 30 30 GLU CA C 41 55.400 54.475 0.925 1
1 399 . 16 1 1 A 30 30 GLU CB C 41 32.200 34.277 -2.077 1
1 401 . 16 1 1 A 30 30 GLU N N 41 120.500 122.274 -1.774 1
1 402 . 16 1 1 A 31 31 PHE H H 42 8.570 8.295 0.275 1
1 403 . 16 1 1 A 31 31 PHE HA H 42 4.820 5.264 -0.444 1
1 411 . 16 1 1 A 31 31 PHE C C 42 174.800 175.456 -0.656 1
1 412 . 16 1 1 A 31 31 PHE CA C 42 57.800 55.701 2.099 1
1 413 . 16 1 1 A 31 31 PHE CB C 42 40.200 40.697 -0.497 1
1 419 . 16 1 1 A 31 31 PHE N N 42 120.700 118.816 1.884 1
1 420 . 16 1 1 A 32 32 ASN H H 43 8.350 9.195 -0.845 1
1 421 . 16 1 1 A 32 32 ASN HA H 43 4.950 5.089 -0.139 1
1 426 . 16 1 1 A 32 32 ASN CA C 43 51.600 51.008 0.592 1
1 427 . 16 1 1 A 32 32 ASN CB C 43 39.300 38.422 0.878 1
1 429 . 16 1 1 A 32 32 ASN N N 43 122.000 122.165 -0.165 1
1 431 . 16 1 1 A 33 33 PRO HA H 44 4.260 4.507 -0.247 1
1 438 . 16 1 1 A 33 33 PRO C C 44 177.400 176.995 0.405 1
1 439 . 16 1 1 A 33 33 PRO CA C 44 65.300 64.495 0.805 1
1 440 . 16 1 1 A 33 33 PRO CB C 44 32.200 32.064 0.136 1
1 443 . 16 1 1 A 34 34 ILE H H 45 7.840 7.950 -0.110 1
1 444 . 16 1 1 A 34 34 ILE HA H 45 4.240 4.270 -0.030 1
1 454 . 16 1 1 A 34 34 ILE C C 45 176.400 175.517 0.883 1
1 455 . 16 1 1 A 34 34 ILE CA C 45 61.000 60.617 0.383 1
1 456 . 16 1 1 A 34 34 ILE CB C 45 38.600 38.377 0.223 1
1 460 . 16 1 1 A 34 34 ILE N N 45 113.700 114.096 -0.396 1
1 461 . 16 1 1 A 35 35 GLY H H 46 7.860 7.382 0.478 1
1 462 . 16 1 1 A 35 35 GLY HA2 H 46 3.870 4.117 -0.247 1
1 463 . 16 1 1 A 35 35 GLY HA3 H 46 4.130 4.124 0.006 1
1 464 . 16 1 1 A 35 35 GLY C C 46 172.700 171.748 0.952 1
1 465 . 16 1 1 A 35 35 GLY CA C 46 45.900 45.837 0.063 1
1 466 . 16 1 1 A 35 35 GLY N N 46 111.900 108.928 2.972 1
1 467 . 16 1 1 A 36 36 ILE H H 47 8.180 8.657 -0.477 1
1 468 . 16 1 1 A 36 36 ILE HA H 47 4.720 5.150 -0.430 1
1 478 . 16 1 1 A 36 36 ILE C C 47 174.900 174.480 0.420 1
1 479 . 16 1 1 A 36 36 ILE CA C 47 60.500 58.680 1.820 1
1 480 . 16 1 1 A 36 36 ILE CB C 47 40.800 42.463 -1.663 1
1 484 . 16 1 1 A 36 36 ILE N N 47 118.300 120.769 -2.469 1
1 485 . 16 1 1 A 37 37 SER H H 48 8.430 9.307 -0.877 1
1 486 . 16 1 1 A 37 37 SER HA H 48 4.990 5.568 -0.578 1
1 489 . 16 1 1 A 37 37 SER C C 48 172.900 173.799 -0.899 1
1 490 . 16 1 1 A 37 37 SER CA C 48 57.800 56.226 1.574 1
1 491 . 16 1 1 A 37 37 SER CB C 48 65.600 66.023 -0.423 1
1 492 . 16 1 1 A 37 37 SER N N 48 116.700 117.102 -0.402 1
1 493 . 16 1 1 A 38 38 ILE H H 49 9.150 9.216 -0.066 1
1 494 . 16 1 1 A 38 38 ILE HA H 49 4.720 4.969 -0.249 1
1 504 . 16 1 1 A 38 38 ILE C C 49 173.900 174.408 -0.508 1
1 505 . 16 1 1 A 38 38 ILE CA C 49 60.600 60.118 0.482 1
1 506 . 16 1 1 A 38 38 ILE CB C 49 41.000 40.922 0.078 1
1 510 . 16 1 1 A 38 38 ILE N N 49 124.300 124.122 0.178 1
1 511 . 16 1 1 A 39 39 ASP H H 50 8.700 9.269 -0.569 1
1 512 . 16 1 1 A 39 39 ASP HA H 50 5.540 5.589 -0.049 1
1 515 . 16 1 1 A 39 39 ASP C C 50 176.200 175.074 1.126 1
1 516 . 16 1 1 A 39 39 ASP CA C 50 52.300 52.350 -0.050 1
1 517 . 16 1 1 A 39 39 ASP CB C 50 44.300 44.678 -0.378 1
1 518 . 16 1 1 A 39 39 ASP N N 50 126.600 127.964 -1.364 1
1 519 . 16 1 1 A 40 40 GLY H H 51 7.100 7.325 -0.225 1
1 520 . 16 1 1 A 40 40 GLY HA2 H 51 3.780 3.836 -0.056 1
1 521 . 16 1 1 A 40 40 GLY HA3 H 51 4.070 4.067 0.003 1
1 522 . 16 1 1 A 40 40 GLY C C 51 170.100 171.515 -1.415 1
1 523 . 16 1 1 A 40 40 GLY CA C 51 47.200 45.811 1.389 1
1 524 . 16 1 1 A 40 40 GLY N N 51 106.400 110.639 -4.239 1
1 525 . 16 1 1 A 41 41 TYR H H 52 8.390 8.014 0.376 1
1 526 . 16 1 1 A 41 41 TYR HA H 52 5.530 5.937 -0.407 1
1 533 . 16 1 1 A 41 41 TYR C C 52 175.200 173.178 2.022 1
1 534 . 16 1 1 A 41 41 TYR CA C 52 56.000 56.117 -0.117 1
1 535 . 16 1 1 A 41 41 TYR CB C 52 39.200 42.032 -2.832 1
1 540 . 16 1 1 A 41 41 TYR N N 52 113.900 116.081 -2.181 1
1 541 . 16 1 1 A 42 42 ILE H H 53 8.420 8.444 -0.024 1
1 542 . 16 1 1 A 42 42 ILE HA H 53 5.450 4.885 0.565 1
1 552 . 16 1 1 A 42 42 ILE C C 53 174.500 175.117 -0.617 1
1 553 . 16 1 1 A 42 42 ILE CA C 53 59.300 59.403 -0.103 1
1 554 . 16 1 1 A 42 42 ILE CB C 53 40.700 40.868 -0.168 1
1 558 . 16 1 1 A 42 42 ILE N N 53 113.200 116.571 -3.371 1
1 559 . 16 1 1 A 43 43 ASN H H 54 8.760 9.149 -0.389 1
1 560 . 16 1 1 A 43 43 ASN HA H 54 4.120 4.357 -0.237 1
1 565 . 16 1 1 A 43 43 ASN C C 54 173.900 174.509 -0.609 1
1 566 . 16 1 1 A 43 43 ASN CA C 54 53.300 54.571 -1.271 1
1 567 . 16 1 1 A 43 43 ASN CB C 54 35.500 36.978 -1.478 1
1 569 . 16 1 1 A 43 43 ASN N N 54 116.700 118.902 -2.202 1
1 571 . 16 1 1 A 44 44 ASN H H 55 9.270 8.621 0.649 1
1 572 . 16 1 1 A 44 44 ASN HA H 55 4.260 4.433 -0.173 1
1 577 . 16 1 1 A 44 44 ASN C C 55 173.600 173.038 0.562 1
1 578 . 16 1 1 A 44 44 ASN CA C 55 54.800 54.741 0.059 1
1 579 . 16 1 1 A 44 44 ASN CB C 55 38.100 37.280 0.820 1
1 581 . 16 1 1 A 44 44 ASN N N 55 110.300 108.690 1.610 1
1 583 . 16 1 1 A 45 45 ASP H H 56 8.100 7.982 0.118 1
1 584 . 16 1 1 A 45 45 ASP HA H 56 4.760 4.776 -0.016 1
1 587 . 16 1 1 A 45 45 ASP C C 56 175.900 176.266 -0.366 1
1 588 . 16 1 1 A 45 45 ASP CA C 56 52.600 52.811 -0.211 1
1 589 . 16 1 1 A 45 45 ASP CB C 56 42.000 41.393 0.607 1
1 590 . 16 1 1 A 45 45 ASP N N 56 119.500 119.132 0.368 1
1 591 . 16 1 1 A 46 46 LYS H H 57 8.260 8.615 -0.355 1
1 592 . 16 1 1 A 46 46 LYS HA H 57 2.760 3.556 -0.796 1
1 601 . 16 1 1 A 46 46 LYS C C 57 177.100 178.427 -1.327 1
1 602 . 16 1 1 A 46 46 LYS CA C 57 58.400 59.486 -1.086 1
1 603 . 16 1 1 A 46 46 LYS CB C 57 31.700 31.961 -0.261 1
1 607 . 16 1 1 A 46 46 LYS N N 57 124.100 125.640 -1.540 1
1 608 . 16 1 1 A 47 47 ASN H H 58 8.610 7.853 0.757 1
1 609 . 16 1 1 A 47 47 ASN HA H 58 4.620 4.555 0.065 1
1 614 . 16 1 1 A 47 47 ASN C C 58 177.000 176.860 0.140 1
1 615 . 16 1 1 A 47 47 ASN CA C 58 54.400 56.305 -1.905 1
1 616 . 16 1 1 A 47 47 ASN CB C 58 38.500 38.479 0.021 1
1 618 . 16 1 1 A 47 47 ASN N N 58 114.800 117.215 -2.415 1
1 620 . 16 1 1 A 48 48 LEU H H 59 8.470 7.485 0.985 1
1 621 . 16 1 1 A 48 48 LEU HA H 59 4.470 4.551 -0.081 1
1 631 . 16 1 1 A 48 48 LEU C C 59 175.300 175.655 -0.355 1
1 632 . 16 1 1 A 48 48 LEU CA C 59 52.800 54.317 -1.517 1
1 633 . 16 1 1 A 48 48 LEU CB C 59 39.100 40.062 -0.962 1
1 637 . 16 1 1 A 48 48 LEU N N 59 125.800 119.944 5.856 1
1 638 . 16 1 1 A 49 49 SER H H 60 7.270 8.719 -1.449 1
1 639 . 16 1 1 A 49 49 SER HA H 60 5.230 5.667 -0.437 1
1 642 . 16 1 1 A 49 49 SER C C 60 173.200 173.741 -0.541 1
1 643 . 16 1 1 A 49 49 SER CA C 60 56.900 57.453 -0.553 1
1 644 . 16 1 1 A 49 49 SER CB C 60 66.500 65.244 1.256 1
1 645 . 16 1 1 A 49 49 SER N N 60 112.400 121.683 -9.283 1
1 646 . 16 1 1 A 50 50 PHE H H 61 8.260 8.552 -0.292 1
1 647 . 16 1 1 A 50 50 PHE HA H 61 5.490 5.576 -0.086 1
1 655 . 16 1 1 A 50 50 PHE C C 61 174.500 172.922 1.578 1
1 656 . 16 1 1 A 50 50 PHE CA C 61 56.300 55.925 0.375 1
1 657 . 16 1 1 A 50 50 PHE CB C 61 44.600 42.597 2.003 1
1 663 . 16 1 1 A 50 50 PHE N N 61 114.200 119.380 -5.180 1
1 664 . 16 1 1 A 51 51 THR H H 62 8.520 8.737 -0.217 1
1 665 . 16 1 1 A 51 51 THR HA H 62 5.140 5.349 -0.209 1
1 670 . 16 1 1 A 51 51 THR C C 62 172.600 173.457 -0.857 1
1 671 . 16 1 1 A 51 51 THR CA C 62 62.000 61.087 0.913 1
1 672 . 16 1 1 A 51 51 THR CB C 62 72.000 71.815 0.185 1
1 674 . 16 1 1 A 51 51 THR N N 62 116.000 115.188 0.812 1
1 675 . 16 1 1 A 52 52 ALA H H 63 9.870 8.973 0.897 1
1 676 . 16 1 1 A 52 52 ALA HA H 63 5.180 5.377 -0.197 1
1 680 . 16 1 1 A 52 52 ALA C C 63 176.300 176.656 -0.356 1
1 681 . 16 1 1 A 52 52 ALA CA C 63 50.300 50.688 -0.388 1
1 682 . 16 1 1 A 52 52 ALA CB C 63 24.000 23.267 0.733 1
1 683 . 16 1 1 A 52 52 ALA N N 63 130.400 127.581 2.819 1
1 684 . 16 1 1 A 53 53 GLY H H 64 8.340 8.774 -0.434 1
1 685 . 16 1 1 A 53 53 GLY HA2 H 64 3.630 4.156 -0.526 1
1 686 . 16 1 1 A 53 53 GLY HA3 H 64 4.830 4.167 0.663 1
1 687 . 16 1 1 A 53 53 GLY C C 64 173.200 172.746 0.454 1
1 688 . 16 1 1 A 53 53 GLY CA C 64 43.200 44.215 -1.015 1
1 689 . 16 1 1 A 53 53 GLY N N 64 107.100 109.448 -2.348 1
1 690 . 16 1 1 A 54 54 LYS H H 65 8.430 8.189 0.241 1
1 691 . 16 1 1 A 54 54 LYS HA H 65 3.750 3.922 -0.172 1
1 700 . 16 1 1 A 54 54 LYS CA C 65 58.300 57.797 0.503 1
1 701 . 16 1 1 A 54 54 LYS CB C 65 32.600 32.120 0.480 1
1 705 . 16 1 1 A 54 54 LYS N N 65 119.300 121.074 -1.774 1
1 708 . 16 1 1 A 55 55 ASP C C 66 172.900 174.885 -1.985 1
1 709 . 16 1 1 A 56 56 VAL H H 67 8.510 8.025 0.485 1
1 710 . 16 1 1 A 56 56 VAL HA H 67 3.100 3.762 -0.662 1
1 718 . 16 1 1 A 56 56 VAL C C 67 176.400 175.615 0.785 1
1 719 . 16 1 1 A 56 56 VAL CA C 67 62.800 64.666 -1.866 1
1 720 . 16 1 1 A 56 56 VAL CB C 67 30.400 30.387 0.013 1
1 723 . 16 1 1 A 56 56 VAL N N 67 112.700 111.519 1.181 1
1 724 . 16 1 1 A 57 57 LYS H H 68 7.580 8.434 -0.854 1
1 725 . 16 1 1 A 57 57 LYS HA H 68 4.000 4.183 -0.183 1
1 734 . 16 1 1 A 57 57 LYS C C 68 176.700 175.483 1.217 1
1 735 . 16 1 1 A 57 57 LYS CA C 68 58.400 58.637 -0.237 1
1 736 . 16 1 1 A 57 57 LYS CB C 68 32.100 32.245 -0.145 1
1 740 . 16 1 1 A 57 57 LYS N N 68 118.700 122.939 -4.239 1
1 741 . 16 1 1 A 58 58 ILE H H 69 7.160 9.584 -2.424 1
1 742 . 16 1 1 A 58 58 ILE HA H 69 4.270 4.737 -0.467 1
1 752 . 16 1 1 A 58 58 ILE C C 69 174.300 174.385 -0.085 1
1 753 . 16 1 1 A 58 58 ILE CA C 69 59.900 60.676 -0.776 1
1 754 . 16 1 1 A 58 58 ILE CB C 69 41.000 39.560 1.440 1
1 758 . 16 1 1 A 58 58 ILE N N 69 115.700 122.150 -6.450 1
1 759 . 16 1 1 A 59 59 PHE H H 70 8.560 8.829 -0.269 1
1 760 . 16 1 1 A 59 59 PHE HA H 70 4.890 5.479 -0.589 1
1 765 . 16 1 1 A 59 59 PHE C C 70 173.500 173.625 -0.125 1
1 766 . 16 1 1 A 59 59 PHE CA C 70 58.700 56.234 2.466 1
1 767 . 16 1 1 A 59 59 PHE CB C 70 42.400 42.645 -0.245 1
1 770 . 16 1 1 A 59 59 PHE N N 70 127.500 128.709 -1.209 1
1 771 . 16 1 1 A 60 60 SER H H 71 8.430 8.404 0.026 1
1 772 . 16 1 1 A 60 60 SER HA H 71 4.850 5.165 -0.315 1
1 775 . 16 1 1 A 60 60 SER C C 71 172.100 172.341 -0.241 1
1 776 . 16 1 1 A 60 60 SER CA C 71 56.900 56.436 0.464 1
1 777 . 16 1 1 A 60 60 SER CB C 71 65.000 65.191 -0.191 1
1 778 . 16 1 1 A 60 60 SER N N 71 124.200 123.101 1.099 1
1 779 . 16 1 1 A 61 61 SER H H 72 8.630 8.642 -0.012 1
1 780 . 16 1 1 A 61 61 SER HA H 72 5.380 5.150 0.230 1
1 783 . 16 1 1 A 61 61 SER C C 72 174.700 173.395 1.305 1
1 784 . 16 1 1 A 61 61 SER CA C 72 57.400 56.395 1.005 1
1 785 . 16 1 1 A 61 61 SER CB C 72 68.200 66.129 2.071 1
1 786 . 16 1 1 A 61 61 SER N N 72 116.900 118.359 -1.459 1
1 787 . 16 1 1 A 62 62 SER H H 73 8.810 8.520 0.290 1
1 788 . 16 1 1 A 62 62 SER HA H 73 4.570 4.630 -0.060 1
1 792 . 16 1 1 A 62 62 SER C C 73 175.000 176.075 -1.075 1
1 793 . 16 1 1 A 62 62 SER CA C 73 57.600 57.535 0.065 1
1 794 . 16 1 1 A 62 62 SER CB C 73 65.400 65.198 0.202 1
1 795 . 16 1 1 A 62 62 SER N N 73 117.000 116.508 0.492 1
1 796 . 16 1 1 A 63 63 GLU H H 74 9.240 9.091 0.149 1
1 797 . 16 1 1 A 63 63 GLU HA H 74 4.140 3.998 0.142 1
1 802 . 16 1 1 A 63 63 GLU C C 74 179.000 178.410 0.590 1
1 803 . 16 1 1 A 63 63 GLU CA C 74 60.100 59.783 0.317 1
1 804 . 16 1 1 A 63 63 GLU CB C 74 29.600 29.626 -0.026 1
1 806 . 16 1 1 A 63 63 GLU N N 74 123.600 120.661 2.939 1
1 807 . 16 1 1 A 64 64 GLU H H 75 8.970 8.078 0.892 1
1 808 . 16 1 1 A 64 64 GLU HA H 75 3.950 4.102 -0.152 1
1 813 . 16 1 1 A 64 64 GLU C C 75 179.000 179.479 -0.479 1
1 814 . 16 1 1 A 64 64 GLU CA C 75 60.100 58.994 1.106 1
1 815 . 16 1 1 A 64 64 GLU CB C 75 29.500 29.641 -0.141 1
1 817 . 16 1 1 A 64 64 GLU N N 75 117.000 120.628 -3.628 1
1 818 . 16 1 1 A 65 65 LEU H H 76 7.740 8.046 -0.306 1
1 819 . 16 1 1 A 65 65 LEU HA H 76 4.330 4.227 0.103 1
1 829 . 16 1 1 A 65 65 LEU C C 76 178.900 178.245 0.655 1
1 830 . 16 1 1 A 65 65 LEU CA C 76 57.500 57.812 -0.312 1
1 831 . 16 1 1 A 65 65 LEU CB C 76 41.800 42.200 -0.400 1
1 835 . 16 1 1 A 65 65 LEU N N 76 119.900 121.375 -1.475 1
1 836 . 16 1 1 A 66 66 ASP H H 77 8.620 8.854 -0.234 1
1 837 . 16 1 1 A 66 66 ASP HA H 77 4.580 4.276 0.304 1
1 840 . 16 1 1 A 66 66 ASP C C 77 178.800 178.977 -0.177 1
1 841 . 16 1 1 A 66 66 ASP CA C 77 58.300 57.735 0.565 1
1 842 . 16 1 1 A 66 66 ASP CB C 77 42.100 41.518 0.582 1
1 843 . 16 1 1 A 66 66 ASP N N 77 120.300 119.226 1.074 1
1 844 . 16 1 1 A 67 67 LYS H H 78 7.210 7.863 -0.653 1
1 845 . 16 1 1 A 67 67 LYS HA H 78 4.240 4.335 -0.095 1
1 854 . 16 1 1 A 67 67 LYS C C 78 177.400 177.694 -0.294 1
1 855 . 16 1 1 A 67 67 LYS CA C 78 58.000 58.282 -0.282 1
1 856 . 16 1 1 A 67 67 LYS CB C 78 33.000 32.440 0.560 1
1 860 . 16 1 1 A 67 67 LYS N N 78 113.200 118.320 -5.120 1
1 861 . 16 1 1 A 68 68 MET H H 79 8.210 8.331 -0.121 1
1 862 . 16 1 1 A 68 68 MET HA H 79 4.270 4.623 -0.353 1
1 870 . 16 1 1 A 68 68 MET C C 79 176.800 176.708 0.092 1
1 871 . 16 1 1 A 68 68 MET CA C 79 56.800 55.276 1.524 1
1 872 . 16 1 1 A 68 68 MET CB C 79 33.900 31.715 2.185 1
1 875 . 16 1 1 A 68 68 MET N N 79 116.400 116.168 0.232 1
1 876 . 16 1 1 A 69 69 PHE H H 80 7.330 7.811 -0.481 1
1 877 . 16 1 1 A 69 69 PHE HA H 80 4.300 4.787 -0.487 1
1 882 . 16 1 1 A 69 69 PHE C C 80 176.900 175.703 1.197 1
1 883 . 16 1 1 A 69 69 PHE CA C 80 59.300 59.459 -0.159 1
1 884 . 16 1 1 A 69 69 PHE CB C 80 40.600 39.571 1.029 1
1 887 . 16 1 1 A 69 69 PHE N N 80 118.100 119.720 -1.620 1
1 888 . 16 1 1 A 70 70 GLN H H 81 8.540 8.595 -0.055 1
1 889 . 16 1 1 A 70 70 GLN HA H 81 4.450 4.677 -0.227 1
1 896 . 16 1 1 A 70 70 GLN C C 81 174.200 175.689 -1.489 1
1 897 . 16 1 1 A 70 70 GLN CA C 81 55.000 56.023 -1.023 1
1 898 . 16 1 1 A 70 70 GLN CB C 81 29.400 30.609 -1.209 1
1 901 . 16 1 1 A 70 70 GLN N N 81 121.600 121.861 -0.261 1
1 903 . 16 1 1 A 71 71 GLU H H 82 8.340 7.743 0.597 1
1 904 . 16 1 1 A 71 71 GLU HA H 82 4.780 4.781 -0.001 1
1 909 . 16 1 1 A 71 71 GLU CA C 82 53.100 53.108 -0.008 1
1 910 . 16 1 1 A 71 71 GLU CB C 82 30.600 31.019 -0.419 1
1 912 . 16 1 1 A 71 71 GLU N N 82 122.900 118.434 4.466 1
1 913 . 16 1 1 A 72 72 PRO HA H 83 4.880 4.580 0.300 1
1 920 . 16 1 1 A 72 72 PRO C C 83 176.200 176.841 -0.641 1
1 921 . 16 1 1 A 72 72 PRO CA C 83 62.100 62.896 -0.796 1
1 922 . 16 1 1 A 72 72 PRO CB C 83 33.800 31.983 1.817 1
1 925 . 16 1 1 A 73 73 ARG H H 84 8.580 8.417 0.163 1
1 926 . 16 1 1 A 73 73 ARG HA H 84 4.390 4.846 -0.456 1
1 934 . 16 1 1 A 73 73 ARG C C 84 176.000 176.471 -0.471 1
1 935 . 16 1 1 A 73 73 ARG CA C 84 56.000 56.797 -0.797 1
1 936 . 16 1 1 A 73 73 ARG CB C 84 31.100 30.956 0.144 1
1 940 . 16 1 1 A 73 73 ARG N N 84 123.400 122.773 0.627 1
1 942 . 16 1 1 A 74 74 LYS H H 85 9.080 9.062 0.018 1
1 943 . 16 1 1 A 74 74 LYS HA H 85 4.540 5.147 -0.607 1
1 952 . 16 1 1 A 74 74 LYS C C 85 176.500 176.316 0.184 1
1 953 . 16 1 1 A 74 74 LYS CA C 85 55.000 54.389 0.611 1
1 954 . 16 1 1 A 74 74 LYS CB C 85 34.900 36.529 -1.629 1
1 958 . 16 1 1 A 74 74 LYS N N 85 123.300 122.510 0.790 1
1 959 . 16 1 1 A 75 75 GLY H H 86 8.870 9.540 -0.670 1
1 960 . 16 1 1 A 75 75 GLY HA2 H 86 3.930 4.107 -0.177 1
1 961 . 16 1 1 A 75 75 GLY HA3 H 86 4.350 4.140 0.210 1
1 962 . 16 1 1 A 75 75 GLY C C 86 174.000 174.933 -0.933 1
1 963 . 16 1 1 A 75 75 GLY CA C 86 44.600 44.760 -0.160 1
1 964 . 16 1 1 A 75 75 GLY N N 86 108.700 108.550 0.150 1
1 965 . 16 1 1 A 76 76 TYR H H 87 8.880 9.127 -0.247 1
1 966 . 16 1 1 A 76 76 TYR HA H 87 3.930 4.124 -0.194 1
1 973 . 16 1 1 A 76 76 TYR C C 87 175.800 177.221 -1.421 1
1 974 . 16 1 1 A 76 76 TYR CA C 87 62.900 61.407 1.493 1
1 975 . 16 1 1 A 76 76 TYR CB C 87 38.700 38.983 -0.283 1
1 980 . 16 1 1 A 76 76 TYR N N 87 120.400 120.859 -0.459 1
1 981 . 16 1 1 A 77 77 ASP H H 88 8.450 8.270 0.180 1
1 982 . 16 1 1 A 77 77 ASP HA H 88 4.000 4.148 -0.148 1
1 985 . 16 1 1 A 77 77 ASP C C 88 178.200 179.133 -0.933 1
1 986 . 16 1 1 A 77 77 ASP CA C 88 57.000 56.865 0.135 1
1 987 . 16 1 1 A 77 77 ASP CB C 88 39.600 40.188 -0.588 1
1 988 . 16 1 1 A 77 77 ASP N N 88 115.800 119.706 -3.906 1
1 989 . 16 1 1 A 78 78 GLU H H 89 7.520 8.076 -0.556 1
1 990 . 16 1 1 A 78 78 GLU HA H 89 4.020 4.102 -0.082 1
1 995 . 16 1 1 A 78 78 GLU C C 89 178.500 179.519 -1.019 1
1 996 . 16 1 1 A 78 78 GLU CA C 89 58.500 59.116 -0.616 1
1 997 . 16 1 1 A 78 78 GLU CB C 89 30.100 29.561 0.539 1
1 999 . 16 1 1 A 78 78 GLU N N 89 119.600 121.530 -1.930 1
1 1000 . 16 1 1 A 79 79 ILE H H 90 7.850 7.682 0.168 1
1 1001 . 16 1 1 A 79 79 ILE HA H 90 3.300 3.776 -0.476 1
1 1011 . 16 1 1 A 79 79 ILE C C 90 177.700 178.065 -0.365 1
1 1012 . 16 1 1 A 79 79 ILE CA C 90 64.600 64.281 0.319 1
1 1013 . 16 1 1 A 79 79 ILE CB C 90 37.700 37.112 0.588 1
1 1017 . 16 1 1 A 79 79 ILE N N 90 121.700 118.059 3.641 1
1 1018 . 16 1 1 A 80 80 LEU H H 91 7.710 7.765 -0.055 1
1 1019 . 16 1 1 A 80 80 LEU HA H 91 3.780 3.701 0.079 1
1 1029 . 16 1 1 A 80 80 LEU C C 91 178.600 178.811 -0.211 1
1 1030 . 16 1 1 A 80 80 LEU CA C 91 56.900 57.891 -0.991 1
1 1031 . 16 1 1 A 80 80 LEU CB C 91 41.600 40.496 1.104 1
1 1035 . 16 1 1 A 80 80 LEU N N 91 120.500 121.043 -0.543 1
1 1036 . 16 1 1 A 81 81 GLU H H 92 7.620 8.044 -0.424 1
1 1037 . 16 1 1 A 81 81 GLU HA H 92 3.960 4.336 -0.376 1
1 1042 . 16 1 1 A 81 81 GLU C C 92 177.400 176.613 0.787 1
1 1043 . 16 1 1 A 81 81 GLU CA C 92 58.300 57.259 1.041 1
1 1044 . 16 1 1 A 81 81 GLU CB C 92 29.700 29.161 0.539 1
1 1046 . 16 1 1 A 81 81 GLU N N 92 118.100 116.056 2.044 1
1 1047 . 16 1 1 A 82 82 HIS H H 93 7.840 7.519 0.321 1
1 1048 . 16 1 1 A 82 82 HIS HA H 93 4.440 4.306 0.134 1
1 1051 . 16 1 1 A 82 82 HIS C C 93 175.600 175.845 -0.245 1
1 1052 . 16 1 1 A 82 82 HIS CA C 93 57.000 56.322 0.678 1
1 1053 . 16 1 1 A 82 82 HIS CB C 93 29.800 29.753 0.047 1
1 1054 . 16 1 1 A 82 82 HIS N N 93 116.900 120.996 -4.096 1
1 1055 . 16 1 1 A 83 83 HIS H H 94 8.080 8.498 -0.418 1
1 1056 . 16 1 1 A 83 83 HIS HA H 94 4.480 4.181 0.299 1
1 1059 . 16 1 1 A 83 83 HIS CA C 94 56.700 56.780 -0.080 1
1 1060 . 16 1 1 A 83 83 HIS CB C 94 29.900 26.749 3.151 1
1 1 . 17 1 1 A 2 2 PHE HA H 13 4.400 4.204 0.196 1
1 9 . 17 1 1 A 2 2 PHE C C 13 176.400 177.292 -0.892 1
1 10 . 17 1 1 A 2 2 PHE CA C 13 60.700 61.351 -0.651 1
1 11 . 17 1 1 A 2 2 PHE CB C 13 39.700 38.810 0.890 1
1 17 . 17 1 1 A 3 3 PHE H H 14 9.000 8.101 0.899 1
1 18 . 17 1 1 A 3 3 PHE HA H 14 4.000 3.950 0.050 1
1 25 . 17 1 1 A 3 3 PHE C C 14 177.400 177.976 -0.576 1
1 26 . 17 1 1 A 3 3 PHE CA C 14 61.400 62.246 -0.846 1
1 27 . 17 1 1 A 3 3 PHE CB C 14 38.400 38.575 -0.175 1
1 32 . 17 1 1 A 3 3 PHE N N 14 118.700 118.632 0.068 1
1 33 . 17 1 1 A 4 4 ASN H H 15 8.000 8.510 -0.510 1
1 34 . 17 1 1 A 4 4 ASN HA H 15 4.250 4.324 -0.074 1
1 39 . 17 1 1 A 4 4 ASN C C 15 177.300 177.475 -0.175 1
1 40 . 17 1 1 A 4 4 ASN CA C 15 56.400 56.913 -0.513 1
1 41 . 17 1 1 A 4 4 ASN CB C 15 38.000 39.251 -1.251 1
1 43 . 17 1 1 A 4 4 ASN N N 15 118.300 118.249 0.051 1
1 45 . 17 1 1 A 5 5 GLU H H 16 8.080 7.974 0.106 1
1 46 . 17 1 1 A 5 5 GLU HA H 16 3.970 3.980 -0.010 1
1 51 . 17 1 1 A 5 5 GLU C C 16 179.600 179.291 0.309 1
1 52 . 17 1 1 A 5 5 GLU CA C 16 59.200 58.989 0.211 1
1 53 . 17 1 1 A 5 5 GLU CB C 16 29.400 29.276 0.124 1
1 55 . 17 1 1 A 5 5 GLU N N 16 120.400 118.656 1.744 1
1 56 . 17 1 1 A 6 6 GLN H H 17 7.930 7.778 0.152 1
1 57 . 17 1 1 A 6 6 GLN HA H 17 3.560 3.625 -0.065 1
1 64 . 17 1 1 A 6 6 GLN CA C 17 58.600 58.821 -0.221 1
1 65 . 17 1 1 A 6 6 GLN CB C 17 28.100 27.849 0.251 1
1 68 . 17 1 1 A 6 6 GLN N N 17 117.900 119.451 -1.551 1
1 70 . 17 1 1 A 7 7 LYS H H 18 8.120 7.398 0.722 1
1 71 . 17 1 1 A 7 7 LYS HA H 18 3.350 3.923 -0.573 1
1 80 . 17 1 1 A 7 7 LYS C C 18 179.900 179.638 0.262 1
1 81 . 17 1 1 A 7 7 LYS CA C 18 60.600 59.514 1.086 1
1 82 . 17 1 1 A 7 7 LYS CB C 18 32.000 31.831 0.169 1
1 86 . 17 1 1 A 7 7 LYS N N 18 118.800 118.254 0.546 1
1 87 . 17 1 1 A 8 8 GLU H H 19 7.740 7.969 -0.229 1
1 88 . 17 1 1 A 8 8 GLU HA H 19 4.040 4.074 -0.034 1
1 93 . 17 1 1 A 8 8 GLU C C 19 179.000 179.321 -0.321 1
1 94 . 17 1 1 A 8 8 GLU CA C 19 59.800 59.080 0.720 1
1 95 . 17 1 1 A 8 8 GLU CB C 19 29.100 29.423 -0.323 1
1 97 . 17 1 1 A 8 8 GLU N N 19 121.300 120.027 1.273 1
1 98 . 17 1 1 A 9 9 LYS H H 20 7.500 7.581 -0.081 1
1 99 . 17 1 1 A 9 9 LYS HA H 20 3.950 4.118 -0.168 1
1 108 . 17 1 1 A 9 9 LYS C C 20 178.100 179.456 -1.356 1
1 109 . 17 1 1 A 9 9 LYS CA C 20 60.500 59.401 1.099 1
1 110 . 17 1 1 A 9 9 LYS CB C 20 32.200 31.949 0.251 1
1 114 . 17 1 1 A 9 9 LYS N N 20 120.100 119.130 0.970 1
1 115 . 17 1 1 A 10 10 VAL H H 21 8.030 7.717 0.313 1
1 116 . 17 1 1 A 10 10 VAL HA H 21 3.410 3.565 -0.155 1
1 124 . 17 1 1 A 10 10 VAL C C 21 177.400 178.097 -0.697 1
1 125 . 17 1 1 A 10 10 VAL CA C 21 66.600 66.232 0.368 1
1 126 . 17 1 1 A 10 10 VAL CB C 21 31.800 31.751 0.049 1
1 129 . 17 1 1 A 10 10 VAL N N 21 117.300 119.626 -2.326 1
1 130 . 17 1 1 A 11 11 THR H H 22 8.230 8.202 0.028 1
1 131 . 17 1 1 A 11 11 THR HA H 22 3.580 3.661 -0.081 1
1 137 . 17 1 1 A 11 11 THR C C 22 174.700 176.155 -1.455 1
1 138 . 17 1 1 A 11 11 THR CA C 22 68.700 66.731 1.969 1
1 139 . 17 1 1 A 11 11 THR CB C 22 68.500 67.959 0.541 1
1 141 . 17 1 1 A 11 11 THR N N 22 115.700 117.193 -1.493 1
1 142 . 17 1 1 A 12 12 LEU H H 23 7.780 8.210 -0.430 1
1 143 . 17 1 1 A 12 12 LEU HA H 23 3.930 3.787 0.143 1
1 153 . 17 1 1 A 12 12 LEU C C 23 178.400 178.292 0.108 1
1 154 . 17 1 1 A 12 12 LEU CA C 23 58.500 58.134 0.366 1
1 155 . 17 1 1 A 12 12 LEU CB C 23 42.300 41.810 0.490 1
1 159 . 17 1 1 A 12 12 LEU N N 23 121.400 121.428 -0.028 1
1 160 . 17 1 1 A 13 13 TYR H H 24 7.970 8.307 -0.337 1
1 161 . 17 1 1 A 13 13 TYR HA H 24 3.910 4.142 -0.232 1
1 168 . 17 1 1 A 13 13 TYR C C 24 177.400 177.015 0.385 1
1 169 . 17 1 1 A 13 13 TYR CA C 24 61.700 61.486 0.214 1
1 170 . 17 1 1 A 13 13 TYR CB C 24 39.400 38.902 0.498 1
1 175 . 17 1 1 A 13 13 TYR N N 24 119.100 119.488 -0.388 1
1 176 . 17 1 1 A 14 14 LEU H H 25 8.230 8.157 0.073 1
1 177 . 17 1 1 A 14 14 LEU HA H 25 3.400 3.442 -0.042 1
1 187 . 17 1 1 A 14 14 LEU C C 25 177.200 179.049 -1.849 1
1 188 . 17 1 1 A 14 14 LEU CA C 25 57.600 57.541 0.059 1
1 189 . 17 1 1 A 14 14 LEU CB C 25 42.200 40.859 1.341 1
1 193 . 17 1 1 A 14 14 LEU N N 25 119.600 119.354 0.246 1
1 194 . 17 1 1 A 15 15 LYS H H 26 8.010 7.804 0.206 1
1 195 . 17 1 1 A 15 15 LYS HA H 26 3.230 3.645 -0.415 1
1 204 . 17 1 1 A 15 15 LYS C C 26 178.800 178.778 0.022 1
1 205 . 17 1 1 A 15 15 LYS CA C 26 59.000 58.846 0.154 1
1 206 . 17 1 1 A 15 15 LYS CB C 26 32.600 31.689 0.911 1
1 210 . 17 1 1 A 15 15 LYS N N 26 117.000 119.729 -2.729 1
1 211 . 17 1 1 A 16 16 HIS H H 27 7.890 7.230 0.660 1
1 212 . 17 1 1 A 16 16 HIS HA H 27 4.030 4.143 -0.113 1
1 217 . 17 1 1 A 16 16 HIS C C 27 175.900 176.661 -0.761 1
1 218 . 17 1 1 A 16 16 HIS CA C 27 59.000 59.819 -0.819 1
1 219 . 17 1 1 A 16 16 HIS CB C 27 30.900 29.943 0.957 1
1 222 . 17 1 1 A 16 16 HIS N N 27 113.200 118.005 -4.805 1
1 223 . 17 1 1 A 17 17 ASN H H 28 6.950 7.145 -0.195 1
1 224 . 17 1 1 A 17 17 ASN HA H 28 4.900 4.375 0.525 1
1 229 . 17 1 1 A 17 17 ASN C C 28 172.900 174.511 -1.611 1
1 230 . 17 1 1 A 17 17 ASN CA C 28 54.100 53.333 0.767 1
1 231 . 17 1 1 A 17 17 ASN CB C 28 42.500 38.172 4.328 1
1 233 . 17 1 1 A 17 17 ASN N N 28 112.200 113.560 -1.360 1
1 235 . 17 1 1 A 18 18 ILE H H 29 7.310 7.292 0.018 1
1 236 . 17 1 1 A 18 18 ILE HA H 29 4.560 4.549 0.011 1
1 246 . 17 1 1 A 18 18 ILE CA C 29 58.000 58.040 -0.040 1
1 247 . 17 1 1 A 18 18 ILE CB C 29 38.000 38.925 -0.925 1
1 251 . 17 1 1 A 18 18 ILE N N 29 119.300 118.810 0.490 1
1 252 . 17 1 1 A 19 19 PRO HA H 30 4.170 4.316 -0.146 1
1 259 . 17 1 1 A 19 19 PRO C C 30 178.000 177.523 0.477 1
1 260 . 17 1 1 A 19 19 PRO CA C 30 65.700 65.179 0.521 1
1 261 . 17 1 1 A 19 19 PRO CB C 30 32.100 31.816 0.284 1
1 264 . 17 1 1 A 20 20 ASP H H 31 8.470 8.436 0.034 1
1 265 . 17 1 1 A 20 20 ASP HA H 31 4.790 4.701 0.089 1
1 268 . 17 1 1 A 20 20 ASP C C 31 175.600 175.888 -0.288 1
1 269 . 17 1 1 A 20 20 ASP CA C 31 53.800 53.977 -0.177 1
1 270 . 17 1 1 A 20 20 ASP CB C 31 39.600 40.823 -1.223 1
1 271 . 17 1 1 A 20 20 ASP N N 31 113.700 116.904 -3.204 1
1 272 . 17 1 1 A 21 21 PHE H H 32 7.890 7.788 0.102 1
1 273 . 17 1 1 A 21 21 PHE HA H 32 3.810 4.317 -0.507 1
1 281 . 17 1 1 A 21 21 PHE C C 32 174.200 174.737 -0.537 1
1 282 . 17 1 1 A 21 21 PHE CA C 32 61.100 59.538 1.562 1
1 283 . 17 1 1 A 21 21 PHE CB C 32 39.900 39.879 0.021 1
1 289 . 17 1 1 A 21 21 PHE N N 32 122.200 123.557 -1.357 1
1 290 . 17 1 1 A 22 22 ASN H H 33 9.380 8.551 0.829 1
1 291 . 17 1 1 A 22 22 ASN HA H 33 4.680 4.645 0.035 1
1 296 . 17 1 1 A 22 22 ASN C C 33 173.600 174.681 -1.081 1
1 297 . 17 1 1 A 22 22 ASN CA C 33 54.600 54.329 0.271 1
1 298 . 17 1 1 A 22 22 ASN CB C 33 41.700 39.667 2.033 1
1 300 . 17 1 1 A 22 22 ASN N N 33 126.600 122.856 3.744 1
1 302 . 17 1 1 A 23 23 THR H H 34 7.010 7.082 -0.072 1
1 303 . 17 1 1 A 23 23 THR HA H 34 4.280 4.290 -0.010 1
1 308 . 17 1 1 A 23 23 THR C C 34 171.100 171.284 -0.184 1
1 309 . 17 1 1 A 23 23 THR CA C 34 60.300 60.316 -0.016 1
1 310 . 17 1 1 A 23 23 THR CB C 34 71.100 70.397 0.703 1
1 312 . 17 1 1 A 23 23 THR N N 34 109.600 109.106 0.494 1
1 313 . 17 1 1 A 24 24 VAL H H 35 8.290 8.916 -0.626 1
1 314 . 17 1 1 A 24 24 VAL HA H 35 4.850 5.010 -0.160 1
1 322 . 17 1 1 A 24 24 VAL C C 35 171.400 173.659 -2.259 1
1 323 . 17 1 1 A 24 24 VAL CA C 35 59.300 59.943 -0.643 1
1 324 . 17 1 1 A 24 24 VAL CB C 35 35.500 35.381 0.119 1
1 327 . 17 1 1 A 24 24 VAL N N 35 119.500 122.791 -3.291 1
1 328 . 17 1 1 A 25 25 THR H H 36 8.200 8.666 -0.466 1
1 329 . 17 1 1 A 25 25 THR HA H 36 4.150 4.872 -0.722 1
1 334 . 17 1 1 A 25 25 THR C C 36 171.900 173.251 -1.351 1
1 335 . 17 1 1 A 25 25 THR CA C 36 61.100 60.511 0.589 1
1 336 . 17 1 1 A 25 25 THR CB C 36 70.900 70.750 0.150 1
1 338 . 17 1 1 A 25 25 THR N N 36 125.200 123.190 2.010 1
1 339 . 17 1 1 A 26 26 PHE H H 37 8.900 8.719 0.181 1
1 340 . 17 1 1 A 26 26 PHE HA H 37 5.140 4.986 0.154 1
1 348 . 17 1 1 A 26 26 PHE C C 37 176.900 175.433 1.467 1
1 349 . 17 1 1 A 26 26 PHE CA C 37 58.100 56.965 1.135 1
1 350 . 17 1 1 A 26 26 PHE CB C 37 39.900 41.481 -1.581 1
1 356 . 17 1 1 A 26 26 PHE N N 37 124.500 125.854 -1.354 1
1 357 . 17 1 1 A 27 27 THR H H 38 9.090 8.517 0.573 1
1 358 . 17 1 1 A 27 27 THR HA H 38 4.430 4.547 -0.117 1
1 363 . 17 1 1 A 27 27 THR C C 38 174.800 174.216 0.584 1
1 364 . 17 1 1 A 27 27 THR CA C 38 61.600 62.285 -0.685 1
1 365 . 17 1 1 A 27 27 THR CB C 38 69.400 69.680 -0.280 1
1 367 . 17 1 1 A 27 27 THR N N 38 114.000 112.715 1.285 1
1 368 . 17 1 1 A 28 28 ASN H H 39 7.880 8.202 -0.322 1
1 369 . 17 1 1 A 28 28 ASN HA H 39 4.780 4.754 0.026 1
1 374 . 17 1 1 A 28 28 ASN C C 39 173.700 174.765 -1.065 1
1 375 . 17 1 1 A 28 28 ASN CA C 39 54.100 53.477 0.623 1
1 376 . 17 1 1 A 28 28 ASN CB C 39 40.800 39.162 1.638 1
1 378 . 17 1 1 A 28 28 ASN N N 39 118.900 120.653 -1.753 1
1 380 . 17 1 1 A 29 29 GLU H H 40 8.150 8.860 -0.710 1
1 381 . 17 1 1 A 29 29 GLU HA H 40 4.560 4.932 -0.372 1
1 386 . 17 1 1 A 29 29 GLU C C 40 174.800 174.131 0.669 1
1 387 . 17 1 1 A 29 29 GLU CA C 40 55.600 55.259 0.341 1
1 388 . 17 1 1 A 29 29 GLU CB C 40 30.500 30.705 -0.205 1
1 390 . 17 1 1 A 29 29 GLU N N 40 121.700 125.384 -3.684 1
1 391 . 17 1 1 A 30 30 GLU H H 41 8.410 8.140 0.270 1
1 392 . 17 1 1 A 30 30 GLU HA H 41 4.410 4.385 0.025 1
1 397 . 17 1 1 A 30 30 GLU C C 41 175.100 175.954 -0.854 1
1 398 . 17 1 1 A 30 30 GLU CA C 41 55.400 55.517 -0.117 1
1 399 . 17 1 1 A 30 30 GLU CB C 41 32.200 30.774 1.426 1
1 401 . 17 1 1 A 30 30 GLU N N 41 120.500 121.898 -1.398 1
1 402 . 17 1 1 A 31 31 PHE H H 42 8.570 9.133 -0.563 1
1 403 . 17 1 1 A 31 31 PHE HA H 42 4.820 5.216 -0.396 1
1 411 . 17 1 1 A 31 31 PHE C C 42 174.800 175.960 -1.160 1
1 412 . 17 1 1 A 31 31 PHE CA C 42 57.800 57.730 0.070 1
1 413 . 17 1 1 A 31 31 PHE CB C 42 40.200 40.658 -0.458 1
1 419 . 17 1 1 A 31 31 PHE N N 42 120.700 119.827 0.873 1
1 420 . 17 1 1 A 32 32 ASN H H 43 8.350 8.690 -0.340 1
1 421 . 17 1 1 A 32 32 ASN HA H 43 4.950 5.240 -0.290 1
1 426 . 17 1 1 A 32 32 ASN CA C 43 51.600 51.178 0.422 1
1 427 . 17 1 1 A 32 32 ASN CB C 43 39.300 39.222 0.078 1
1 429 . 17 1 1 A 32 32 ASN N N 43 122.000 124.350 -2.350 1
1 431 . 17 1 1 A 33 33 PRO HA H 44 4.260 4.323 -0.063 1
1 438 . 17 1 1 A 33 33 PRO C C 44 177.400 178.903 -1.503 1
1 439 . 17 1 1 A 33 33 PRO CA C 44 65.300 65.732 -0.432 1
1 440 . 17 1 1 A 33 33 PRO CB C 44 32.200 31.884 0.316 1
1 443 . 17 1 1 A 34 34 ILE H H 45 7.840 8.300 -0.460 1
1 444 . 17 1 1 A 34 34 ILE HA H 45 4.240 3.870 0.370 1
1 454 . 17 1 1 A 34 34 ILE C C 45 176.400 176.251 0.149 1
1 455 . 17 1 1 A 34 34 ILE CA C 45 61.000 63.532 -2.532 1
1 456 . 17 1 1 A 34 34 ILE CB C 45 38.600 38.546 0.054 1
1 460 . 17 1 1 A 34 34 ILE N N 45 113.700 116.771 -3.071 1
1 461 . 17 1 1 A 35 35 GLY H H 46 7.860 7.343 0.517 1
1 462 . 17 1 1 A 35 35 GLY HA2 H 46 3.870 4.139 -0.269 1
1 463 . 17 1 1 A 35 35 GLY HA3 H 46 4.130 4.159 -0.029 1
1 464 . 17 1 1 A 35 35 GLY C C 46 172.700 171.895 0.805 1
1 465 . 17 1 1 A 35 35 GLY CA C 46 45.900 46.096 -0.196 1
1 466 . 17 1 1 A 35 35 GLY N N 46 111.900 106.084 5.816 1
1 467 . 17 1 1 A 36 36 ILE H H 47 8.180 8.613 -0.433 1
1 468 . 17 1 1 A 36 36 ILE HA H 47 4.720 4.797 -0.077 1
1 478 . 17 1 1 A 36 36 ILE C C 47 174.900 174.498 0.402 1
1 479 . 17 1 1 A 36 36 ILE CA C 47 60.500 59.405 1.095 1
1 480 . 17 1 1 A 36 36 ILE CB C 47 40.800 39.907 0.893 1
1 484 . 17 1 1 A 36 36 ILE N N 47 118.300 120.914 -2.614 1
1 485 . 17 1 1 A 37 37 SER H H 48 8.430 8.715 -0.285 1
1 486 . 17 1 1 A 37 37 SER HA H 48 4.990 5.034 -0.044 1
1 489 . 17 1 1 A 37 37 SER C C 48 172.900 173.768 -0.868 1
1 490 . 17 1 1 A 37 37 SER CA C 48 57.800 57.811 -0.011 1
1 491 . 17 1 1 A 37 37 SER CB C 48 65.600 64.523 1.077 1
1 492 . 17 1 1 A 37 37 SER N N 48 116.700 120.662 -3.962 1
1 493 . 17 1 1 A 38 38 ILE H H 49 9.150 9.133 0.017 1
1 494 . 17 1 1 A 38 38 ILE HA H 49 4.720 4.800 -0.080 1
1 504 . 17 1 1 A 38 38 ILE C C 49 173.900 174.239 -0.339 1
1 505 . 17 1 1 A 38 38 ILE CA C 49 60.600 60.158 0.442 1
1 506 . 17 1 1 A 38 38 ILE CB C 49 41.000 39.609 1.391 1
1 510 . 17 1 1 A 38 38 ILE N N 49 124.300 128.175 -3.875 1
1 511 . 17 1 1 A 39 39 ASP H H 50 8.700 8.942 -0.242 1
1 512 . 17 1 1 A 39 39 ASP HA H 50 5.540 5.644 -0.104 1
1 515 . 17 1 1 A 39 39 ASP C C 50 176.200 174.777 1.423 1
1 516 . 17 1 1 A 39 39 ASP CA C 50 52.300 52.359 -0.059 1
1 517 . 17 1 1 A 39 39 ASP CB C 50 44.300 44.863 -0.563 1
1 518 . 17 1 1 A 39 39 ASP N N 50 126.600 128.493 -1.893 1
1 519 . 17 1 1 A 40 40 GLY H H 51 7.100 7.403 -0.303 1
1 520 . 17 1 1 A 40 40 GLY HA2 H 51 3.780 3.755 0.025 1
1 521 . 17 1 1 A 40 40 GLY HA3 H 51 4.070 4.016 0.054 1
1 522 . 17 1 1 A 40 40 GLY C C 51 170.100 171.160 -1.060 1
1 523 . 17 1 1 A 40 40 GLY CA C 51 47.200 45.852 1.348 1
1 524 . 17 1 1 A 40 40 GLY N N 51 106.400 109.145 -2.745 1
1 525 . 17 1 1 A 41 41 TYR H H 52 8.390 8.199 0.191 1
1 526 . 17 1 1 A 41 41 TYR HA H 52 5.530 6.034 -0.504 1
1 533 . 17 1 1 A 41 41 TYR C C 52 175.200 173.270 1.930 1
1 534 . 17 1 1 A 41 41 TYR CA C 52 56.000 55.940 0.060 1
1 535 . 17 1 1 A 41 41 TYR CB C 52 39.200 42.215 -3.015 1
1 540 . 17 1 1 A 41 41 TYR N N 52 113.900 115.391 -1.491 1
1 541 . 17 1 1 A 42 42 ILE H H 53 8.420 8.473 -0.053 1
1 542 . 17 1 1 A 42 42 ILE HA H 53 5.450 4.978 0.472 1
1 552 . 17 1 1 A 42 42 ILE C C 53 174.500 175.203 -0.703 1
1 553 . 17 1 1 A 42 42 ILE CA C 53 59.300 59.496 -0.196 1
1 554 . 17 1 1 A 42 42 ILE CB C 53 40.700 41.033 -0.333 1
1 558 . 17 1 1 A 42 42 ILE N N 53 113.200 117.049 -3.849 1
1 559 . 17 1 1 A 43 43 ASN H H 54 8.760 9.271 -0.511 1
1 560 . 17 1 1 A 43 43 ASN HA H 54 4.120 4.385 -0.265 1
1 565 . 17 1 1 A 43 43 ASN C C 54 173.900 174.557 -0.657 1
1 566 . 17 1 1 A 43 43 ASN CA C 54 53.300 54.613 -1.313 1
1 567 . 17 1 1 A 43 43 ASN CB C 54 35.500 37.030 -1.530 1
1 569 . 17 1 1 A 43 43 ASN N N 54 116.700 118.954 -2.254 1
1 571 . 17 1 1 A 44 44 ASN H H 55 9.270 8.644 0.626 1
1 572 . 17 1 1 A 44 44 ASN HA H 55 4.260 4.491 -0.231 1
1 577 . 17 1 1 A 44 44 ASN C C 55 173.600 173.557 0.043 1
1 578 . 17 1 1 A 44 44 ASN CA C 55 54.800 54.820 -0.020 1
1 579 . 17 1 1 A 44 44 ASN CB C 55 38.100 37.410 0.690 1
1 581 . 17 1 1 A 44 44 ASN N N 55 110.300 108.757 1.543 1
1 583 . 17 1 1 A 45 45 ASP H H 56 8.100 8.138 -0.038 1
1 584 . 17 1 1 A 45 45 ASP HA H 56 4.760 4.786 -0.026 1
1 587 . 17 1 1 A 45 45 ASP C C 56 175.900 176.236 -0.336 1
1 588 . 17 1 1 A 45 45 ASP CA C 56 52.600 53.109 -0.509 1
1 589 . 17 1 1 A 45 45 ASP CB C 56 42.000 42.011 -0.011 1
1 590 . 17 1 1 A 45 45 ASP N N 56 119.500 118.411 1.089 1
1 591 . 17 1 1 A 46 46 LYS H H 57 8.260 8.659 -0.399 1
1 592 . 17 1 1 A 46 46 LYS HA H 57 2.760 3.663 -0.903 1
1 601 . 17 1 1 A 46 46 LYS C C 57 177.100 178.405 -1.305 1
1 602 . 17 1 1 A 46 46 LYS CA C 57 58.400 59.482 -1.082 1
1 603 . 17 1 1 A 46 46 LYS CB C 57 31.700 31.993 -0.293 1
1 607 . 17 1 1 A 46 46 LYS N N 57 124.100 125.866 -1.766 1
1 608 . 17 1 1 A 47 47 ASN H H 58 8.610 8.042 0.568 1
1 609 . 17 1 1 A 47 47 ASN HA H 58 4.620 4.570 0.050 1
1 614 . 17 1 1 A 47 47 ASN C C 58 177.000 177.032 -0.032 1
1 615 . 17 1 1 A 47 47 ASN CA C 58 54.400 56.309 -1.909 1
1 616 . 17 1 1 A 47 47 ASN CB C 58 38.500 38.597 -0.097 1
1 618 . 17 1 1 A 47 47 ASN N N 58 114.800 117.406 -2.606 1
1 620 . 17 1 1 A 48 48 LEU H H 59 8.470 7.605 0.865 1
1 621 . 17 1 1 A 48 48 LEU HA H 59 4.470 4.607 -0.137 1
1 631 . 17 1 1 A 48 48 LEU C C 59 175.300 175.498 -0.198 1
1 632 . 17 1 1 A 48 48 LEU CA C 59 52.800 54.231 -1.431 1
1 633 . 17 1 1 A 48 48 LEU CB C 59 39.100 39.981 -0.881 1
1 637 . 17 1 1 A 48 48 LEU N N 59 125.800 119.545 6.255 1
1 638 . 17 1 1 A 49 49 SER H H 60 7.270 8.514 -1.244 1
1 639 . 17 1 1 A 49 49 SER HA H 60 5.230 5.474 -0.244 1
1 642 . 17 1 1 A 49 49 SER C C 60 173.200 174.253 -1.053 1
1 643 . 17 1 1 A 49 49 SER CA C 60 56.900 57.189 -0.289 1
1 644 . 17 1 1 A 49 49 SER CB C 60 66.500 65.347 1.153 1
1 645 . 17 1 1 A 49 49 SER N N 60 112.400 115.985 -3.585 1
1 646 . 17 1 1 A 50 50 PHE H H 61 8.260 8.334 -0.074 1
1 647 . 17 1 1 A 50 50 PHE HA H 61 5.490 5.631 -0.141 1
1 655 . 17 1 1 A 50 50 PHE C C 61 174.500 172.985 1.515 1
1 656 . 17 1 1 A 50 50 PHE CA C 61 56.300 56.000 0.300 1
1 657 . 17 1 1 A 50 50 PHE CB C 61 44.600 42.340 2.260 1
1 663 . 17 1 1 A 50 50 PHE N N 61 114.200 117.417 -3.217 1
1 664 . 17 1 1 A 51 51 THR H H 62 8.520 8.957 -0.437 1
1 665 . 17 1 1 A 51 51 THR HA H 62 5.140 5.358 -0.218 1
1 670 . 17 1 1 A 51 51 THR C C 62 172.600 173.224 -0.624 1
1 671 . 17 1 1 A 51 51 THR CA C 62 62.000 61.014 0.986 1
1 672 . 17 1 1 A 51 51 THR CB C 62 72.000 72.111 -0.111 1
1 674 . 17 1 1 A 51 51 THR N N 62 116.000 114.816 1.184 1
1 675 . 17 1 1 A 52 52 ALA H H 63 9.870 8.722 1.148 1
1 676 . 17 1 1 A 52 52 ALA HA H 63 5.180 5.306 -0.126 1
1 680 . 17 1 1 A 52 52 ALA C C 63 176.300 176.213 0.087 1
1 681 . 17 1 1 A 52 52 ALA CA C 63 50.300 51.374 -1.074 1
1 682 . 17 1 1 A 52 52 ALA CB C 63 24.000 23.196 0.804 1
1 683 . 17 1 1 A 52 52 ALA N N 63 130.400 125.278 5.122 1
1 684 . 17 1 1 A 53 53 GLY H H 64 8.340 8.932 -0.592 1
1 685 . 17 1 1 A 53 53 GLY HA2 H 64 3.630 4.235 -0.605 1
1 686 . 17 1 1 A 53 53 GLY HA3 H 64 4.830 4.242 0.588 1
1 687 . 17 1 1 A 53 53 GLY C C 64 173.200 174.604 -1.404 1
1 688 . 17 1 1 A 53 53 GLY CA C 64 43.200 44.110 -0.910 1
1 689 . 17 1 1 A 53 53 GLY N N 64 107.100 109.171 -2.071 1
1 690 . 17 1 1 A 54 54 LYS H H 65 8.430 8.729 -0.299 1
1 691 . 17 1 1 A 54 54 LYS HA H 65 3.750 3.991 -0.241 1
1 700 . 17 1 1 A 54 54 LYS CA C 65 58.300 58.205 0.095 1
1 701 . 17 1 1 A 54 54 LYS CB C 65 32.600 31.033 1.567 1
1 705 . 17 1 1 A 54 54 LYS N N 65 119.300 119.174 0.126 1
1 708 . 17 1 1 A 55 55 ASP C C 66 172.900 175.969 -3.069 1
1 709 . 17 1 1 A 56 56 VAL H H 67 8.510 8.237 0.273 1
1 710 . 17 1 1 A 56 56 VAL HA H 67 3.100 3.612 -0.512 1
1 718 . 17 1 1 A 56 56 VAL C C 67 176.400 174.671 1.729 1
1 719 . 17 1 1 A 56 56 VAL CA C 67 62.800 63.698 -0.898 1
1 720 . 17 1 1 A 56 56 VAL CB C 67 30.400 29.683 0.717 1
1 723 . 17 1 1 A 56 56 VAL N N 67 112.700 120.516 -7.816 1
1 724 . 17 1 1 A 57 57 LYS H H 68 7.580 7.786 -0.206 1
1 725 . 17 1 1 A 57 57 LYS HA H 68 4.000 4.097 -0.097 1
1 734 . 17 1 1 A 57 57 LYS C C 68 176.700 176.698 0.002 1
1 735 . 17 1 1 A 57 57 LYS CA C 68 58.400 56.524 1.876 1
1 736 . 17 1 1 A 57 57 LYS CB C 68 32.100 32.737 -0.637 1
1 740 . 17 1 1 A 57 57 LYS N N 68 118.700 122.863 -4.163 1
1 741 . 17 1 1 A 58 58 ILE H H 69 7.160 8.706 -1.546 1
1 742 . 17 1 1 A 58 58 ILE HA H 69 4.270 3.756 0.514 1
1 752 . 17 1 1 A 58 58 ILE C C 69 174.300 175.427 -1.127 1
1 753 . 17 1 1 A 58 58 ILE CA C 69 59.900 61.831 -1.931 1
1 754 . 17 1 1 A 58 58 ILE CB C 69 41.000 36.942 4.058 1
1 758 . 17 1 1 A 58 58 ILE N N 69 115.700 122.666 -6.966 1
1 759 . 17 1 1 A 59 59 PHE H H 70 8.560 7.700 0.860 1
1 760 . 17 1 1 A 59 59 PHE HA H 70 4.890 5.885 -0.995 1
1 765 . 17 1 1 A 59 59 PHE C C 70 173.500 172.902 0.598 1
1 766 . 17 1 1 A 59 59 PHE CA C 70 58.700 55.428 3.272 1
1 767 . 17 1 1 A 59 59 PHE CB C 70 42.400 42.094 0.306 1
1 770 . 17 1 1 A 59 59 PHE N N 70 127.500 124.835 2.665 1
1 771 . 17 1 1 A 60 60 SER H H 71 8.430 9.210 -0.780 1
1 772 . 17 1 1 A 60 60 SER HA H 71 4.850 5.219 -0.369 1
1 775 . 17 1 1 A 60 60 SER C C 71 172.100 173.170 -1.070 1
1 776 . 17 1 1 A 60 60 SER CA C 71 56.900 56.777 0.123 1
1 777 . 17 1 1 A 60 60 SER CB C 71 65.000 66.812 -1.812 1
1 778 . 17 1 1 A 60 60 SER N N 71 124.200 114.749 9.451 1
1 779 . 17 1 1 A 61 61 SER H H 72 8.630 8.861 -0.231 1
1 780 . 17 1 1 A 61 61 SER HA H 72 5.380 5.265 0.115 1
1 783 . 17 1 1 A 61 61 SER C C 72 174.700 173.975 0.725 1
1 784 . 17 1 1 A 61 61 SER CA C 72 57.400 57.504 -0.104 1
1 785 . 17 1 1 A 61 61 SER CB C 72 68.200 66.519 1.681 1
1 786 . 17 1 1 A 61 61 SER N N 72 116.900 118.469 -1.569 1
1 787 . 17 1 1 A 62 62 SER H H 73 8.810 8.577 0.233 1
1 788 . 17 1 1 A 62 62 SER HA H 73 4.570 4.608 -0.038 1
1 792 . 17 1 1 A 62 62 SER C C 73 175.000 175.923 -0.923 1
1 793 . 17 1 1 A 62 62 SER CA C 73 57.600 57.624 -0.024 1
1 794 . 17 1 1 A 62 62 SER CB C 73 65.400 65.227 0.173 1
1 795 . 17 1 1 A 62 62 SER N N 73 117.000 115.994 1.006 1
1 796 . 17 1 1 A 63 63 GLU H H 74 9.240 9.082 0.158 1
1 797 . 17 1 1 A 63 63 GLU HA H 74 4.140 3.988 0.152 1
1 802 . 17 1 1 A 63 63 GLU C C 74 179.000 178.371 0.629 1
1 803 . 17 1 1 A 63 63 GLU CA C 74 60.100 59.752 0.348 1
1 804 . 17 1 1 A 63 63 GLU CB C 74 29.600 29.505 0.095 1
1 806 . 17 1 1 A 63 63 GLU N N 74 123.600 120.643 2.957 1
1 807 . 17 1 1 A 64 64 GLU H H 75 8.970 8.205 0.765 1
1 808 . 17 1 1 A 64 64 GLU HA H 75 3.950 4.082 -0.132 1
1 813 . 17 1 1 A 64 64 GLU C C 75 179.000 179.405 -0.405 1
1 814 . 17 1 1 A 64 64 GLU CA C 75 60.100 59.022 1.078 1
1 815 . 17 1 1 A 64 64 GLU CB C 75 29.500 29.803 -0.303 1
1 817 . 17 1 1 A 64 64 GLU N N 75 117.000 120.403 -3.403 1
1 818 . 17 1 1 A 65 65 LEU H H 76 7.740 7.941 -0.201 1
1 819 . 17 1 1 A 65 65 LEU HA H 76 4.330 4.227 0.103 1
1 829 . 17 1 1 A 65 65 LEU C C 76 178.900 178.112 0.788 1
1 830 . 17 1 1 A 65 65 LEU CA C 76 57.500 57.816 -0.316 1
1 831 . 17 1 1 A 65 65 LEU CB C 76 41.800 42.198 -0.398 1
1 835 . 17 1 1 A 65 65 LEU N N 76 119.900 121.373 -1.473 1
1 836 . 17 1 1 A 66 66 ASP H H 77 8.620 8.908 -0.288 1
1 837 . 17 1 1 A 66 66 ASP HA H 77 4.580 4.114 0.466 1
1 840 . 17 1 1 A 66 66 ASP C C 77 178.800 178.665 0.135 1
1 841 . 17 1 1 A 66 66 ASP CA C 77 58.300 57.775 0.525 1
1 842 . 17 1 1 A 66 66 ASP CB C 77 42.100 41.724 0.376 1
1 843 . 17 1 1 A 66 66 ASP N N 77 120.300 119.435 0.865 1
1 844 . 17 1 1 A 67 67 LYS H H 78 7.210 7.671 -0.461 1
1 845 . 17 1 1 A 67 67 LYS HA H 78 4.240 4.079 0.161 1
1 854 . 17 1 1 A 67 67 LYS C C 78 177.400 179.868 -2.468 1
1 855 . 17 1 1 A 67 67 LYS CA C 78 58.000 58.975 -0.975 1
1 856 . 17 1 1 A 67 67 LYS CB C 78 33.000 32.391 0.609 1
1 860 . 17 1 1 A 67 67 LYS N N 78 113.200 118.653 -5.453 1
1 861 . 17 1 1 A 68 68 MET H H 79 8.210 8.028 0.182 1
1 862 . 17 1 1 A 68 68 MET HA H 79 4.270 4.197 0.073 1
1 870 . 17 1 1 A 68 68 MET C C 79 176.800 177.266 -0.466 1
1 871 . 17 1 1 A 68 68 MET CA C 79 56.800 58.575 -1.775 1
1 872 . 17 1 1 A 68 68 MET CB C 79 33.900 33.284 0.616 1
1 875 . 17 1 1 A 68 68 MET N N 79 116.400 119.114 -2.714 1
1 876 . 17 1 1 A 69 69 PHE H H 80 7.330 8.024 -0.694 1
1 877 . 17 1 1 A 69 69 PHE HA H 80 4.300 4.555 -0.255 1
1 882 . 17 1 1 A 69 69 PHE C C 80 176.900 176.004 0.896 1
1 883 . 17 1 1 A 69 69 PHE CA C 80 59.300 59.098 0.202 1
1 884 . 17 1 1 A 69 69 PHE CB C 80 40.600 39.291 1.309 1
1 887 . 17 1 1 A 69 69 PHE N N 80 118.100 116.872 1.228 1
1 888 . 17 1 1 A 70 70 GLN H H 81 8.540 8.541 -0.001 1
1 889 . 17 1 1 A 70 70 GLN HA H 81 4.450 4.152 0.298 1
1 896 . 17 1 1 A 70 70 GLN C C 81 174.200 175.639 -1.439 1
1 897 . 17 1 1 A 70 70 GLN CA C 81 55.000 58.305 -3.305 1
1 898 . 17 1 1 A 70 70 GLN CB C 81 29.400 29.107 0.293 1
1 901 . 17 1 1 A 70 70 GLN N N 81 121.600 125.985 -4.385 1
1 903 . 17 1 1 A 71 71 GLU H H 82 8.340 7.924 0.416 1
1 904 . 17 1 1 A 71 71 GLU HA H 82 4.780 4.677 0.103 1
1 909 . 17 1 1 A 71 71 GLU CA C 82 53.100 53.406 -0.306 1
1 910 . 17 1 1 A 71 71 GLU CB C 82 30.600 30.448 0.152 1
1 912 . 17 1 1 A 71 71 GLU N N 82 122.900 117.927 4.973 1
1 913 . 17 1 1 A 72 72 PRO HA H 83 4.880 4.669 0.211 1
1 920 . 17 1 1 A 72 72 PRO C C 83 176.200 176.467 -0.267 1
1 921 . 17 1 1 A 72 72 PRO CA C 83 62.100 62.439 -0.339 1
1 922 . 17 1 1 A 72 72 PRO CB C 83 33.800 32.465 1.335 1
1 925 . 17 1 1 A 73 73 ARG H H 84 8.580 8.621 -0.041 1
1 926 . 17 1 1 A 73 73 ARG HA H 84 4.390 4.862 -0.472 1
1 934 . 17 1 1 A 73 73 ARG C C 84 176.000 176.289 -0.289 1
1 935 . 17 1 1 A 73 73 ARG CA C 84 56.000 57.147 -1.147 1
1 936 . 17 1 1 A 73 73 ARG CB C 84 31.100 31.212 -0.112 1
1 940 . 17 1 1 A 73 73 ARG N N 84 123.400 122.126 1.274 1
1 942 . 17 1 1 A 74 74 LYS H H 85 9.080 8.502 0.578 1
1 943 . 17 1 1 A 74 74 LYS HA H 85 4.540 4.750 -0.210 1
1 952 . 17 1 1 A 74 74 LYS C C 85 176.500 176.797 -0.297 1
1 953 . 17 1 1 A 74 74 LYS CA C 85 55.000 56.274 -1.274 1
1 954 . 17 1 1 A 74 74 LYS CB C 85 34.900 34.201 0.699 1
1 958 . 17 1 1 A 74 74 LYS N N 85 123.300 121.451 1.849 1
1 959 . 17 1 1 A 75 75 GLY H H 86 8.870 8.204 0.666 1
1 960 . 17 1 1 A 75 75 GLY HA2 H 86 3.930 4.097 -0.167 1
1 961 . 17 1 1 A 75 75 GLY HA3 H 86 4.350 4.164 0.186 1
1 962 . 17 1 1 A 75 75 GLY C C 86 174.000 174.632 -0.632 1
1 963 . 17 1 1 A 75 75 GLY CA C 86 44.600 45.743 -1.143 1
1 964 . 17 1 1 A 75 75 GLY N N 86 108.700 106.898 1.802 1
1 965 . 17 1 1 A 76 76 TYR H H 87 8.880 8.832 0.048 1
1 966 . 17 1 1 A 76 76 TYR HA H 87 3.930 4.009 -0.079 1
1 973 . 17 1 1 A 76 76 TYR C C 87 175.800 177.025 -1.225 1
1 974 . 17 1 1 A 76 76 TYR CA C 87 62.900 61.674 1.226 1
1 975 . 17 1 1 A 76 76 TYR CB C 87 38.700 38.945 -0.245 1
1 980 . 17 1 1 A 76 76 TYR N N 87 120.400 121.095 -0.695 1
1 981 . 17 1 1 A 77 77 ASP H H 88 8.450 8.453 -0.003 1
1 982 . 17 1 1 A 77 77 ASP HA H 88 4.000 4.196 -0.196 1
1 985 . 17 1 1 A 77 77 ASP C C 88 178.200 178.559 -0.359 1
1 986 . 17 1 1 A 77 77 ASP CA C 88 57.000 57.866 -0.866 1
1 987 . 17 1 1 A 77 77 ASP CB C 88 39.600 42.221 -2.621 1
1 988 . 17 1 1 A 77 77 ASP N N 88 115.800 120.222 -4.422 1
1 989 . 17 1 1 A 78 78 GLU H H 89 7.520 8.032 -0.512 1
1 990 . 17 1 1 A 78 78 GLU HA H 89 4.020 3.983 0.037 1
1 995 . 17 1 1 A 78 78 GLU C C 89 178.500 179.011 -0.511 1
1 996 . 17 1 1 A 78 78 GLU CA C 89 58.500 59.236 -0.736 1
1 997 . 17 1 1 A 78 78 GLU CB C 89 30.100 29.272 0.828 1
1 999 . 17 1 1 A 78 78 GLU N N 89 119.600 118.568 1.032 1
1 1000 . 17 1 1 A 79 79 ILE H H 90 7.850 7.354 0.496 1
1 1001 . 17 1 1 A 79 79 ILE HA H 90 3.300 3.325 -0.025 1
1 1011 . 17 1 1 A 79 79 ILE C C 90 177.700 177.293 0.407 1
1 1012 . 17 1 1 A 79 79 ILE CA C 90 64.600 63.887 0.713 1
1 1013 . 17 1 1 A 79 79 ILE CB C 90 37.700 36.893 0.807 1
1 1017 . 17 1 1 A 79 79 ILE N N 90 121.700 117.298 4.402 1
1 1018 . 17 1 1 A 80 80 LEU H H 91 7.710 7.758 -0.048 1
1 1019 . 17 1 1 A 80 80 LEU HA H 91 3.780 3.503 0.277 1
1 1029 . 17 1 1 A 80 80 LEU C C 91 178.600 178.641 -0.041 1
1 1030 . 17 1 1 A 80 80 LEU CA C 91 56.900 58.014 -1.114 1
1 1031 . 17 1 1 A 80 80 LEU CB C 91 41.600 41.297 0.303 1
1 1035 . 17 1 1 A 80 80 LEU N N 91 120.500 123.133 -2.633 1
1 1036 . 17 1 1 A 81 81 GLU H H 92 7.620 7.520 0.100 1
1 1037 . 17 1 1 A 81 81 GLU HA H 92 3.960 4.085 -0.125 1
1 1042 . 17 1 1 A 81 81 GLU C C 92 177.400 176.506 0.894 1
1 1043 . 17 1 1 A 81 81 GLU CA C 92 58.300 59.343 -1.043 1
1 1044 . 17 1 1 A 81 81 GLU CB C 92 29.700 29.904 -0.204 1
1 1046 . 17 1 1 A 81 81 GLU N N 92 118.100 117.816 0.284 1
1 1047 . 17 1 1 A 82 82 HIS H H 93 7.840 7.181 0.659 1
1 1048 . 17 1 1 A 82 82 HIS HA H 93 4.440 4.711 -0.271 1
1 1051 . 17 1 1 A 82 82 HIS C C 93 175.600 174.646 0.954 1
1 1052 . 17 1 1 A 82 82 HIS CA C 93 57.000 54.347 2.653 1
1 1053 . 17 1 1 A 82 82 HIS CB C 93 29.800 31.782 -1.982 1
1 1054 . 17 1 1 A 82 82 HIS N N 93 116.900 114.351 2.549 1
1 1055 . 17 1 1 A 83 83 HIS H H 94 8.080 8.652 -0.572 1
1 1056 . 17 1 1 A 83 83 HIS HA H 94 4.480 4.229 0.251 1
1 1059 . 17 1 1 A 83 83 HIS CA C 94 56.700 58.304 -1.604 1
1 1060 . 17 1 1 A 83 83 HIS CB C 94 29.900 29.767 0.133 1
1 1 . 18 1 1 A 2 2 PHE HA H 13 4.400 4.212 0.188 1
1 9 . 18 1 1 A 2 2 PHE C C 13 176.400 177.972 -1.572 1
1 10 . 18 1 1 A 2 2 PHE CA C 13 60.700 60.492 0.208 1
1 11 . 18 1 1 A 2 2 PHE CB C 13 39.700 38.466 1.234 1
1 17 . 18 1 1 A 3 3 PHE H H 14 9.000 8.129 0.871 1
1 18 . 18 1 1 A 3 3 PHE HA H 14 4.000 4.273 -0.273 1
1 25 . 18 1 1 A 3 3 PHE C C 14 177.400 178.162 -0.762 1
1 26 . 18 1 1 A 3 3 PHE CA C 14 61.400 62.059 -0.659 1
1 27 . 18 1 1 A 3 3 PHE CB C 14 38.400 38.052 0.348 1
1 32 . 18 1 1 A 3 3 PHE N N 14 118.700 118.446 0.254 1
1 33 . 18 1 1 A 4 4 ASN H H 15 8.000 7.885 0.115 1
1 34 . 18 1 1 A 4 4 ASN HA H 15 4.250 4.213 0.037 1
1 39 . 18 1 1 A 4 4 ASN C C 15 177.300 177.664 -0.364 1
1 40 . 18 1 1 A 4 4 ASN CA C 15 56.400 56.346 0.054 1
1 41 . 18 1 1 A 4 4 ASN CB C 15 38.000 37.785 0.215 1
1 43 . 18 1 1 A 4 4 ASN N N 15 118.300 117.283 1.017 1
1 45 . 18 1 1 A 5 5 GLU H H 16 8.080 8.365 -0.285 1
1 46 . 18 1 1 A 5 5 GLU HA H 16 3.970 4.054 -0.084 1
1 51 . 18 1 1 A 5 5 GLU C C 16 179.600 178.916 0.684 1
1 52 . 18 1 1 A 5 5 GLU CA C 16 59.200 59.477 -0.277 1
1 53 . 18 1 1 A 5 5 GLU CB C 16 29.400 29.040 0.360 1
1 55 . 18 1 1 A 5 5 GLU N N 16 120.400 118.496 1.904 1
1 56 . 18 1 1 A 6 6 GLN H H 17 7.930 7.807 0.123 1
1 57 . 18 1 1 A 6 6 GLN HA H 17 3.560 3.944 -0.384 1
1 64 . 18 1 1 A 6 6 GLN CA C 17 58.600 59.002 -0.402 1
1 65 . 18 1 1 A 6 6 GLN CB C 17 28.100 28.458 -0.358 1
1 68 . 18 1 1 A 6 6 GLN N N 17 117.900 119.695 -1.795 1
1 70 . 18 1 1 A 7 7 LYS H H 18 8.120 7.920 0.200 1
1 71 . 18 1 1 A 7 7 LYS HA H 18 3.350 4.202 -0.852 1
1 80 . 18 1 1 A 7 7 LYS C C 18 179.900 179.580 0.320 1
1 81 . 18 1 1 A 7 7 LYS CA C 18 60.600 59.522 1.078 1
1 82 . 18 1 1 A 7 7 LYS CB C 18 32.000 31.643 0.357 1
1 86 . 18 1 1 A 7 7 LYS N N 18 118.800 118.626 0.174 1
1 87 . 18 1 1 A 8 8 GLU H H 19 7.740 7.928 -0.188 1
1 88 . 18 1 1 A 8 8 GLU HA H 19 4.040 4.056 -0.016 1
1 93 . 18 1 1 A 8 8 GLU C C 19 179.000 179.482 -0.482 1
1 94 . 18 1 1 A 8 8 GLU CA C 19 59.800 59.385 0.415 1
1 95 . 18 1 1 A 8 8 GLU CB C 19 29.100 29.390 -0.290 1
1 97 . 18 1 1 A 8 8 GLU N N 19 121.300 120.135 1.165 1
1 98 . 18 1 1 A 9 9 LYS H H 20 7.500 7.425 0.075 1
1 99 . 18 1 1 A 9 9 LYS HA H 20 3.950 4.129 -0.179 1
1 108 . 18 1 1 A 9 9 LYS C C 20 178.100 179.532 -1.432 1
1 109 . 18 1 1 A 9 9 LYS CA C 20 60.500 59.454 1.046 1
1 110 . 18 1 1 A 9 9 LYS CB C 20 32.200 32.036 0.164 1
1 114 . 18 1 1 A 9 9 LYS N N 20 120.100 119.277 0.823 1
1 115 . 18 1 1 A 10 10 VAL H H 21 8.030 7.671 0.359 1
1 116 . 18 1 1 A 10 10 VAL HA H 21 3.410 3.657 -0.247 1
1 124 . 18 1 1 A 10 10 VAL C C 21 177.400 178.291 -0.891 1
1 125 . 18 1 1 A 10 10 VAL CA C 21 66.600 66.293 0.307 1
1 126 . 18 1 1 A 10 10 VAL CB C 21 31.800 31.837 -0.037 1
1 129 . 18 1 1 A 10 10 VAL N N 21 117.300 119.650 -2.350 1
1 130 . 18 1 1 A 11 11 THR H H 22 8.230 8.507 -0.277 1
1 131 . 18 1 1 A 11 11 THR HA H 22 3.580 3.920 -0.340 1
1 137 . 18 1 1 A 11 11 THR C C 22 174.700 176.227 -1.527 1
1 138 . 18 1 1 A 11 11 THR CA C 22 68.700 67.001 1.699 1
1 139 . 18 1 1 A 11 11 THR CB C 22 68.500 68.345 0.155 1
1 141 . 18 1 1 A 11 11 THR N N 22 115.700 117.376 -1.676 1
1 142 . 18 1 1 A 12 12 LEU H H 23 7.780 8.260 -0.480 1
1 143 . 18 1 1 A 12 12 LEU HA H 23 3.930 3.762 0.168 1
1 153 . 18 1 1 A 12 12 LEU C C 23 178.400 178.224 0.176 1
1 154 . 18 1 1 A 12 12 LEU CA C 23 58.500 58.011 0.489 1
1 155 . 18 1 1 A 12 12 LEU CB C 23 42.300 41.630 0.670 1
1 159 . 18 1 1 A 12 12 LEU N N 23 121.400 121.294 0.106 1
1 160 . 18 1 1 A 13 13 TYR H H 24 7.970 8.378 -0.408 1
1 161 . 18 1 1 A 13 13 TYR HA H 24 3.910 4.198 -0.288 1
1 168 . 18 1 1 A 13 13 TYR C C 24 177.400 177.248 0.152 1
1 169 . 18 1 1 A 13 13 TYR CA C 24 61.700 61.318 0.382 1
1 170 . 18 1 1 A 13 13 TYR CB C 24 39.400 38.853 0.547 1
1 175 . 18 1 1 A 13 13 TYR N N 24 119.100 119.640 -0.540 1
1 176 . 18 1 1 A 14 14 LEU H H 25 8.230 8.411 -0.181 1
1 177 . 18 1 1 A 14 14 LEU HA H 25 3.400 3.747 -0.347 1
1 187 . 18 1 1 A 14 14 LEU C C 25 177.200 179.265 -2.065 1
1 188 . 18 1 1 A 14 14 LEU CA C 25 57.600 57.869 -0.269 1
1 189 . 18 1 1 A 14 14 LEU CB C 25 42.200 41.360 0.840 1
1 193 . 18 1 1 A 14 14 LEU N N 25 119.600 119.829 -0.229 1
1 194 . 18 1 1 A 15 15 LYS H H 26 8.010 7.692 0.318 1
1 195 . 18 1 1 A 15 15 LYS HA H 26 3.230 3.786 -0.556 1
1 204 . 18 1 1 A 15 15 LYS C C 26 178.800 178.345 0.455 1
1 205 . 18 1 1 A 15 15 LYS CA C 26 59.000 58.563 0.437 1
1 206 . 18 1 1 A 15 15 LYS CB C 26 32.600 31.373 1.227 1
1 210 . 18 1 1 A 15 15 LYS N N 26 117.000 117.871 -0.871 1
1 211 . 18 1 1 A 16 16 HIS H H 27 7.890 7.271 0.619 1
1 212 . 18 1 1 A 16 16 HIS HA H 27 4.030 4.077 -0.047 1
1 217 . 18 1 1 A 16 16 HIS C C 27 175.900 176.095 -0.195 1
1 218 . 18 1 1 A 16 16 HIS CA C 27 59.000 59.732 -0.732 1
1 219 . 18 1 1 A 16 16 HIS CB C 27 30.900 30.811 0.089 1
1 222 . 18 1 1 A 16 16 HIS N N 27 113.200 118.279 -5.079 1
1 223 . 18 1 1 A 17 17 ASN H H 28 6.950 7.292 -0.342 1
1 224 . 18 1 1 A 17 17 ASN HA H 28 4.900 4.388 0.512 1
1 229 . 18 1 1 A 17 17 ASN C C 28 172.900 174.113 -1.213 1
1 230 . 18 1 1 A 17 17 ASN CA C 28 54.100 53.133 0.967 1
1 231 . 18 1 1 A 17 17 ASN CB C 28 42.500 38.502 3.998 1
1 233 . 18 1 1 A 17 17 ASN N N 28 112.200 113.259 -1.059 1
1 235 . 18 1 1 A 18 18 ILE H H 29 7.310 7.299 0.011 1
1 236 . 18 1 1 A 18 18 ILE HA H 29 4.560 4.440 0.120 1
1 246 . 18 1 1 A 18 18 ILE CA C 29 58.000 57.871 0.129 1
1 247 . 18 1 1 A 18 18 ILE CB C 29 38.000 38.929 -0.929 1
1 251 . 18 1 1 A 18 18 ILE N N 29 119.300 118.763 0.537 1
1 252 . 18 1 1 A 19 19 PRO HA H 30 4.170 4.273 -0.103 1
1 259 . 18 1 1 A 19 19 PRO C C 30 178.000 177.469 0.531 1
1 260 . 18 1 1 A 19 19 PRO CA C 30 65.700 65.132 0.568 1
1 261 . 18 1 1 A 19 19 PRO CB C 30 32.100 31.803 0.297 1
1 264 . 18 1 1 A 20 20 ASP H H 31 8.470 8.425 0.045 1
1 265 . 18 1 1 A 20 20 ASP HA H 31 4.790 4.696 0.094 1
1 268 . 18 1 1 A 20 20 ASP C C 31 175.600 175.948 -0.348 1
1 269 . 18 1 1 A 20 20 ASP CA C 31 53.800 53.988 -0.188 1
1 270 . 18 1 1 A 20 20 ASP CB C 31 39.600 40.503 -0.903 1
1 271 . 18 1 1 A 20 20 ASP N N 31 113.700 116.901 -3.201 1
1 272 . 18 1 1 A 21 21 PHE H H 32 7.890 7.727 0.163 1
1 273 . 18 1 1 A 21 21 PHE HA H 32 3.810 4.321 -0.511 1
1 281 . 18 1 1 A 21 21 PHE C C 32 174.200 175.244 -1.044 1
1 282 . 18 1 1 A 21 21 PHE CA C 32 61.100 59.675 1.425 1
1 283 . 18 1 1 A 21 21 PHE CB C 32 39.900 39.859 0.041 1
1 289 . 18 1 1 A 21 21 PHE N N 32 122.200 123.543 -1.343 1
1 290 . 18 1 1 A 22 22 ASN H H 33 9.380 8.493 0.887 1
1 291 . 18 1 1 A 22 22 ASN HA H 33 4.680 4.847 -0.167 1
1 296 . 18 1 1 A 22 22 ASN C C 33 173.600 173.947 -0.347 1
1 297 . 18 1 1 A 22 22 ASN CA C 33 54.600 54.580 0.020 1
1 298 . 18 1 1 A 22 22 ASN CB C 33 41.700 40.710 0.990 1
1 300 . 18 1 1 A 22 22 ASN N N 33 126.600 125.933 0.667 1
1 302 . 18 1 1 A 23 23 THR H H 34 7.010 7.382 -0.372 1
1 303 . 18 1 1 A 23 23 THR HA H 34 4.280 4.690 -0.410 1
1 308 . 18 1 1 A 23 23 THR C C 34 171.100 171.481 -0.381 1
1 309 . 18 1 1 A 23 23 THR CA C 34 60.300 59.995 0.305 1
1 310 . 18 1 1 A 23 23 THR CB C 34 71.100 71.355 -0.255 1
1 312 . 18 1 1 A 23 23 THR N N 34 109.600 111.296 -1.696 1
1 313 . 18 1 1 A 24 24 VAL H H 35 8.290 8.883 -0.593 1
1 314 . 18 1 1 A 24 24 VAL HA H 35 4.850 4.847 0.003 1
1 322 . 18 1 1 A 24 24 VAL C C 35 171.400 173.513 -2.113 1
1 323 . 18 1 1 A 24 24 VAL CA C 35 59.300 60.066 -0.766 1
1 324 . 18 1 1 A 24 24 VAL CB C 35 35.500 35.803 -0.303 1
1 327 . 18 1 1 A 24 24 VAL N N 35 119.500 122.691 -3.191 1
1 328 . 18 1 1 A 25 25 THR H H 36 8.200 8.532 -0.332 1
1 329 . 18 1 1 A 25 25 THR HA H 36 4.150 4.828 -0.678 1
1 334 . 18 1 1 A 25 25 THR C C 36 171.900 173.276 -1.376 1
1 335 . 18 1 1 A 25 25 THR CA C 36 61.100 60.858 0.242 1
1 336 . 18 1 1 A 25 25 THR CB C 36 70.900 70.202 0.698 1
1 338 . 18 1 1 A 25 25 THR N N 36 125.200 123.008 2.192 1
1 339 . 18 1 1 A 26 26 PHE H H 37 8.900 9.017 -0.117 1
1 340 . 18 1 1 A 26 26 PHE HA H 37 5.140 4.742 0.398 1
1 348 . 18 1 1 A 26 26 PHE C C 37 176.900 176.185 0.715 1
1 349 . 18 1 1 A 26 26 PHE CA C 37 58.100 57.337 0.763 1
1 350 . 18 1 1 A 26 26 PHE CB C 37 39.900 40.167 -0.267 1
1 356 . 18 1 1 A 26 26 PHE N N 37 124.500 126.221 -1.721 1
1 357 . 18 1 1 A 27 27 THR H H 38 9.090 8.895 0.195 1
1 358 . 18 1 1 A 27 27 THR HA H 38 4.430 4.583 -0.153 1
1 363 . 18 1 1 A 27 27 THR C C 38 174.800 175.408 -0.608 1
1 364 . 18 1 1 A 27 27 THR CA C 38 61.600 62.102 -0.502 1
1 365 . 18 1 1 A 27 27 THR CB C 38 69.400 71.097 -1.697 1
1 367 . 18 1 1 A 27 27 THR N N 38 114.000 113.148 0.852 1
1 368 . 18 1 1 A 28 28 ASN H H 39 7.880 7.721 0.159 1
1 369 . 18 1 1 A 28 28 ASN HA H 39 4.780 4.522 0.258 1
1 374 . 18 1 1 A 28 28 ASN C C 39 173.700 175.429 -1.729 1
1 375 . 18 1 1 A 28 28 ASN CA C 39 54.100 54.568 -0.468 1
1 376 . 18 1 1 A 28 28 ASN CB C 39 40.800 36.658 4.142 1
1 378 . 18 1 1 A 28 28 ASN N N 39 118.900 115.741 3.159 1
1 380 . 18 1 1 A 29 29 GLU H H 40 8.150 8.455 -0.305 1
1 381 . 18 1 1 A 29 29 GLU HA H 40 4.560 4.502 0.058 1
1 386 . 18 1 1 A 29 29 GLU C C 40 174.800 175.171 -0.371 1
1 387 . 18 1 1 A 29 29 GLU CA C 40 55.600 56.475 -0.875 1
1 388 . 18 1 1 A 29 29 GLU CB C 40 30.500 29.998 0.502 1
1 390 . 18 1 1 A 29 29 GLU N N 40 121.700 116.528 5.172 1
1 391 . 18 1 1 A 30 30 GLU H H 41 8.410 7.874 0.536 1
1 392 . 18 1 1 A 30 30 GLU HA H 41 4.410 4.680 -0.270 1
1 397 . 18 1 1 A 30 30 GLU C C 41 175.100 175.026 0.074 1
1 398 . 18 1 1 A 30 30 GLU CA C 41 55.400 54.859 0.541 1
1 399 . 18 1 1 A 30 30 GLU CB C 41 32.200 34.138 -1.938 1
1 401 . 18 1 1 A 30 30 GLU N N 41 120.500 117.217 3.283 1
1 402 . 18 1 1 A 31 31 PHE H H 42 8.570 8.408 0.162 1
1 403 . 18 1 1 A 31 31 PHE HA H 42 4.820 5.097 -0.277 1
1 411 . 18 1 1 A 31 31 PHE C C 42 174.800 173.109 1.691 1
1 412 . 18 1 1 A 31 31 PHE CA C 42 57.800 56.542 1.258 1
1 413 . 18 1 1 A 31 31 PHE CB C 42 40.200 41.488 -1.288 1
1 419 . 18 1 1 A 31 31 PHE N N 42 120.700 118.634 2.066 1
1 420 . 18 1 1 A 32 32 ASN H H 43 8.350 8.219 0.131 1
1 421 . 18 1 1 A 32 32 ASN HA H 43 4.950 5.151 -0.201 1
1 426 . 18 1 1 A 32 32 ASN CA C 43 51.600 51.280 0.320 1
1 427 . 18 1 1 A 32 32 ASN CB C 43 39.300 39.166 0.134 1
1 429 . 18 1 1 A 32 32 ASN N N 43 122.000 119.737 2.263 1
1 431 . 18 1 1 A 33 33 PRO HA H 44 4.260 4.456 -0.196 1
1 438 . 18 1 1 A 33 33 PRO C C 44 177.400 177.945 -0.545 1
1 439 . 18 1 1 A 33 33 PRO CA C 44 65.300 64.562 0.738 1
1 440 . 18 1 1 A 33 33 PRO CB C 44 32.200 32.125 0.075 1
1 443 . 18 1 1 A 34 34 ILE H H 45 7.840 7.987 -0.147 1
1 444 . 18 1 1 A 34 34 ILE HA H 45 4.240 3.991 0.249 1
1 454 . 18 1 1 A 34 34 ILE C C 45 176.400 175.658 0.742 1
1 455 . 18 1 1 A 34 34 ILE CA C 45 61.000 62.752 -1.752 1
1 456 . 18 1 1 A 34 34 ILE CB C 45 38.600 38.799 -0.199 1
1 460 . 18 1 1 A 34 34 ILE N N 45 113.700 116.416 -2.716 1
1 461 . 18 1 1 A 35 35 GLY H H 46 7.860 7.276 0.584 1
1 462 . 18 1 1 A 35 35 GLY HA2 H 46 3.870 4.079 -0.209 1
1 463 . 18 1 1 A 35 35 GLY HA3 H 46 4.130 4.088 0.042 1
1 464 . 18 1 1 A 35 35 GLY C C 46 172.700 172.026 0.674 1
1 465 . 18 1 1 A 35 35 GLY CA C 46 45.900 46.175 -0.275 1
1 466 . 18 1 1 A 35 35 GLY N N 46 111.900 109.131 2.769 1
1 467 . 18 1 1 A 36 36 ILE H H 47 8.180 8.695 -0.515 1
1 468 . 18 1 1 A 36 36 ILE HA H 47 4.720 5.222 -0.502 1
1 478 . 18 1 1 A 36 36 ILE C C 47 174.900 174.615 0.285 1
1 479 . 18 1 1 A 36 36 ILE CA C 47 60.500 58.671 1.829 1
1 480 . 18 1 1 A 36 36 ILE CB C 47 40.800 42.286 -1.486 1
1 484 . 18 1 1 A 36 36 ILE N N 47 118.300 121.255 -2.955 1
1 485 . 18 1 1 A 37 37 SER H H 48 8.430 8.869 -0.439 1
1 486 . 18 1 1 A 37 37 SER HA H 48 4.990 5.246 -0.256 1
1 489 . 18 1 1 A 37 37 SER C C 48 172.900 173.398 -0.498 1
1 490 . 18 1 1 A 37 37 SER CA C 48 57.800 57.392 0.408 1
1 491 . 18 1 1 A 37 37 SER CB C 48 65.600 66.333 -0.733 1
1 492 . 18 1 1 A 37 37 SER N N 48 116.700 118.468 -1.768 1
1 493 . 18 1 1 A 38 38 ILE H H 49 9.150 9.173 -0.023 1
1 494 . 18 1 1 A 38 38 ILE HA H 49 4.720 4.920 -0.200 1
1 504 . 18 1 1 A 38 38 ILE C C 49 173.900 174.237 -0.337 1
1 505 . 18 1 1 A 38 38 ILE CA C 49 60.600 60.188 0.412 1
1 506 . 18 1 1 A 38 38 ILE CB C 49 41.000 40.104 0.896 1
1 510 . 18 1 1 A 38 38 ILE N N 49 124.300 125.746 -1.446 1
1 511 . 18 1 1 A 39 39 ASP H H 50 8.700 9.202 -0.502 1
1 512 . 18 1 1 A 39 39 ASP HA H 50 5.540 5.529 0.011 1
1 515 . 18 1 1 A 39 39 ASP C C 50 176.200 174.945 1.255 1
1 516 . 18 1 1 A 39 39 ASP CA C 50 52.300 52.300 0.000 1
1 517 . 18 1 1 A 39 39 ASP CB C 50 44.300 44.495 -0.195 1
1 518 . 18 1 1 A 39 39 ASP N N 50 126.600 128.405 -1.805 1
1 519 . 18 1 1 A 40 40 GLY H H 51 7.100 7.224 -0.124 1
1 520 . 18 1 1 A 40 40 GLY HA2 H 51 3.780 3.686 0.094 1
1 521 . 18 1 1 A 40 40 GLY HA3 H 51 4.070 4.041 0.029 1
1 522 . 18 1 1 A 40 40 GLY C C 51 170.100 171.266 -1.166 1
1 523 . 18 1 1 A 40 40 GLY CA C 51 47.200 45.657 1.543 1
1 524 . 18 1 1 A 40 40 GLY N N 51 106.400 109.795 -3.395 1
1 525 . 18 1 1 A 41 41 TYR H H 52 8.390 8.164 0.226 1
1 526 . 18 1 1 A 41 41 TYR HA H 52 5.530 6.008 -0.478 1
1 533 . 18 1 1 A 41 41 TYR C C 52 175.200 173.229 1.971 1
1 534 . 18 1 1 A 41 41 TYR CA C 52 56.000 55.984 0.016 1
1 535 . 18 1 1 A 41 41 TYR CB C 52 39.200 42.101 -2.901 1
1 540 . 18 1 1 A 41 41 TYR N N 52 113.900 114.346 -0.446 1
1 541 . 18 1 1 A 42 42 ILE H H 53 8.420 8.423 -0.003 1
1 542 . 18 1 1 A 42 42 ILE HA H 53 5.450 4.789 0.661 1
1 552 . 18 1 1 A 42 42 ILE C C 53 174.500 175.125 -0.625 1
1 553 . 18 1 1 A 42 42 ILE CA C 53 59.300 59.354 -0.054 1
1 554 . 18 1 1 A 42 42 ILE CB C 53 40.700 40.825 -0.125 1
1 558 . 18 1 1 A 42 42 ILE N N 53 113.200 117.125 -3.925 1
1 559 . 18 1 1 A 43 43 ASN H H 54 8.760 9.021 -0.261 1
1 560 . 18 1 1 A 43 43 ASN HA H 54 4.120 4.354 -0.234 1
1 565 . 18 1 1 A 43 43 ASN C C 54 173.900 175.278 -1.378 1
1 566 . 18 1 1 A 43 43 ASN CA C 54 53.300 54.574 -1.274 1
1 567 . 18 1 1 A 43 43 ASN CB C 54 35.500 36.977 -1.477 1
1 569 . 18 1 1 A 43 43 ASN N N 54 116.700 118.745 -2.045 1
1 571 . 18 1 1 A 44 44 ASN H H 55 9.270 8.594 0.676 1
1 572 . 18 1 1 A 44 44 ASN HA H 55 4.260 4.636 -0.376 1
1 577 . 18 1 1 A 44 44 ASN C C 55 173.600 173.699 -0.099 1
1 578 . 18 1 1 A 44 44 ASN CA C 55 54.800 54.697 0.103 1
1 579 . 18 1 1 A 44 44 ASN CB C 55 38.100 37.893 0.207 1
1 581 . 18 1 1 A 44 44 ASN N N 55 110.300 115.533 -5.233 1
1 583 . 18 1 1 A 45 45 ASP H H 56 8.100 8.280 -0.180 1
1 584 . 18 1 1 A 45 45 ASP HA H 56 4.760 4.729 0.031 1
1 587 . 18 1 1 A 45 45 ASP C C 56 175.900 176.117 -0.217 1
1 588 . 18 1 1 A 45 45 ASP CA C 56 52.600 53.361 -0.761 1
1 589 . 18 1 1 A 45 45 ASP CB C 56 42.000 40.947 1.053 1
1 590 . 18 1 1 A 45 45 ASP N N 56 119.500 119.176 0.324 1
1 591 . 18 1 1 A 46 46 LYS H H 57 8.260 8.614 -0.354 1
1 592 . 18 1 1 A 46 46 LYS HA H 57 2.760 3.365 -0.605 1
1 601 . 18 1 1 A 46 46 LYS C C 57 177.100 178.333 -1.233 1
1 602 . 18 1 1 A 46 46 LYS CA C 57 58.400 59.237 -0.837 1
1 603 . 18 1 1 A 46 46 LYS CB C 57 31.700 31.907 -0.207 1
1 607 . 18 1 1 A 46 46 LYS N N 57 124.100 125.814 -1.714 1
1 608 . 18 1 1 A 47 47 ASN H H 58 8.610 8.038 0.572 1
1 609 . 18 1 1 A 47 47 ASN HA H 58 4.620 4.529 0.091 1
1 614 . 18 1 1 A 47 47 ASN C C 58 177.000 176.923 0.077 1
1 615 . 18 1 1 A 47 47 ASN CA C 58 54.400 56.282 -1.882 1
1 616 . 18 1 1 A 47 47 ASN CB C 58 38.500 38.471 0.029 1
1 618 . 18 1 1 A 47 47 ASN N N 58 114.800 117.335 -2.535 1
1 620 . 18 1 1 A 48 48 LEU H H 59 8.470 7.524 0.946 1
1 621 . 18 1 1 A 48 48 LEU HA H 59 4.470 4.534 -0.064 1
1 631 . 18 1 1 A 48 48 LEU C C 59 175.300 175.615 -0.315 1
1 632 . 18 1 1 A 48 48 LEU CA C 59 52.800 54.278 -1.478 1
1 633 . 18 1 1 A 48 48 LEU CB C 59 39.100 40.073 -0.973 1
1 637 . 18 1 1 A 48 48 LEU N N 59 125.800 119.879 5.921 1
1 638 . 18 1 1 A 49 49 SER H H 60 7.270 8.544 -1.274 1
1 639 . 18 1 1 A 49 49 SER HA H 60 5.230 5.346 -0.116 1
1 642 . 18 1 1 A 49 49 SER C C 60 173.200 174.165 -0.965 1
1 643 . 18 1 1 A 49 49 SER CA C 60 56.900 57.293 -0.393 1
1 644 . 18 1 1 A 49 49 SER CB C 60 66.500 65.283 1.217 1
1 645 . 18 1 1 A 49 49 SER N N 60 112.400 116.634 -4.234 1
1 646 . 18 1 1 A 50 50 PHE H H 61 8.260 8.482 -0.222 1
1 647 . 18 1 1 A 50 50 PHE HA H 61 5.490 5.382 0.108 1
1 655 . 18 1 1 A 50 50 PHE C C 61 174.500 172.999 1.501 1
1 656 . 18 1 1 A 50 50 PHE CA C 61 56.300 55.937 0.363 1
1 657 . 18 1 1 A 50 50 PHE CB C 61 44.600 42.612 1.988 1
1 663 . 18 1 1 A 50 50 PHE N N 61 114.200 117.349 -3.149 1
1 664 . 18 1 1 A 51 51 THR H H 62 8.520 8.194 0.326 1
1 665 . 18 1 1 A 51 51 THR HA H 62 5.140 5.455 -0.315 1
1 670 . 18 1 1 A 51 51 THR C C 62 172.600 173.639 -1.039 1
1 671 . 18 1 1 A 51 51 THR CA C 62 62.000 61.038 0.962 1
1 672 . 18 1 1 A 51 51 THR CB C 62 72.000 71.983 0.017 1
1 674 . 18 1 1 A 51 51 THR N N 62 116.000 115.254 0.746 1
1 675 . 18 1 1 A 52 52 ALA H H 63 9.870 8.840 1.030 1
1 676 . 18 1 1 A 52 52 ALA HA H 63 5.180 5.569 -0.389 1
1 680 . 18 1 1 A 52 52 ALA C C 63 176.300 176.712 -0.412 1
1 681 . 18 1 1 A 52 52 ALA CA C 63 50.300 51.189 -0.889 1
1 682 . 18 1 1 A 52 52 ALA CB C 63 24.000 23.268 0.732 1
1 683 . 18 1 1 A 52 52 ALA N N 63 130.400 126.958 3.442 1
1 684 . 18 1 1 A 53 53 GLY H H 64 8.340 8.526 -0.186 1
1 685 . 18 1 1 A 53 53 GLY HA2 H 64 3.630 4.182 -0.552 1
1 686 . 18 1 1 A 53 53 GLY HA3 H 64 4.830 4.201 0.629 1
1 687 . 18 1 1 A 53 53 GLY C C 64 173.200 173.395 -0.195 1
1 688 . 18 1 1 A 53 53 GLY CA C 64 43.200 44.369 -1.169 1
1 689 . 18 1 1 A 53 53 GLY N N 64 107.100 108.968 -1.868 1
1 690 . 18 1 1 A 54 54 LYS H H 65 8.430 8.399 0.031 1
1 691 . 18 1 1 A 54 54 LYS HA H 65 3.750 3.977 -0.227 1
1 700 . 18 1 1 A 54 54 LYS CA C 65 58.300 56.617 1.683 1
1 701 . 18 1 1 A 54 54 LYS CB C 65 32.600 32.733 -0.133 1
1 705 . 18 1 1 A 54 54 LYS N N 65 119.300 121.332 -2.032 1
1 708 . 18 1 1 A 55 55 ASP C C 66 172.900 175.301 -2.401 1
1 709 . 18 1 1 A 56 56 VAL H H 67 8.510 7.979 0.531 1
1 710 . 18 1 1 A 56 56 VAL HA H 67 3.100 3.832 -0.732 1
1 718 . 18 1 1 A 56 56 VAL C C 67 176.400 175.921 0.479 1
1 719 . 18 1 1 A 56 56 VAL CA C 67 62.800 63.363 -0.563 1
1 720 . 18 1 1 A 56 56 VAL CB C 67 30.400 29.345 1.055 1
1 723 . 18 1 1 A 56 56 VAL N N 67 112.700 110.195 2.505 1
1 724 . 18 1 1 A 57 57 LYS H H 68 7.580 8.061 -0.481 1
1 725 . 18 1 1 A 57 57 LYS HA H 68 4.000 3.999 0.001 1
1 734 . 18 1 1 A 57 57 LYS C C 68 176.700 176.013 0.687 1
1 735 . 18 1 1 A 57 57 LYS CA C 68 58.400 59.326 -0.926 1
1 736 . 18 1 1 A 57 57 LYS CB C 68 32.100 32.657 -0.557 1
1 740 . 18 1 1 A 57 57 LYS N N 68 118.700 121.598 -2.898 1
1 741 . 18 1 1 A 58 58 ILE H H 69 7.160 7.999 -0.839 1
1 742 . 18 1 1 A 58 58 ILE HA H 69 4.270 4.701 -0.431 1
1 752 . 18 1 1 A 58 58 ILE C C 69 174.300 174.624 -0.324 1
1 753 . 18 1 1 A 58 58 ILE CA C 69 59.900 60.552 -0.652 1
1 754 . 18 1 1 A 58 58 ILE CB C 69 41.000 39.197 1.803 1
1 758 . 18 1 1 A 58 58 ILE N N 69 115.700 118.950 -3.250 1
1 759 . 18 1 1 A 59 59 PHE H H 70 8.560 8.903 -0.343 1
1 760 . 18 1 1 A 59 59 PHE HA H 70 4.890 5.605 -0.715 1
1 765 . 18 1 1 A 59 59 PHE C C 70 173.500 173.559 -0.059 1
1 766 . 18 1 1 A 59 59 PHE CA C 70 58.700 56.530 2.170 1
1 767 . 18 1 1 A 59 59 PHE CB C 70 42.400 42.888 -0.488 1
1 770 . 18 1 1 A 59 59 PHE N N 70 127.500 128.785 -1.285 1
1 771 . 18 1 1 A 60 60 SER H H 71 8.430 7.952 0.478 1
1 772 . 18 1 1 A 60 60 SER HA H 71 4.850 5.180 -0.330 1
1 775 . 18 1 1 A 60 60 SER C C 71 172.100 172.071 0.029 1
1 776 . 18 1 1 A 60 60 SER CA C 71 56.900 56.376 0.524 1
1 777 . 18 1 1 A 60 60 SER CB C 71 65.000 65.514 -0.514 1
1 778 . 18 1 1 A 60 60 SER N N 71 124.200 123.133 1.067 1
1 779 . 18 1 1 A 61 61 SER H H 72 8.630 8.393 0.237 1
1 780 . 18 1 1 A 61 61 SER HA H 72 5.380 5.158 0.222 1
1 783 . 18 1 1 A 61 61 SER C C 72 174.700 173.325 1.375 1
1 784 . 18 1 1 A 61 61 SER CA C 72 57.400 56.516 0.884 1
1 785 . 18 1 1 A 61 61 SER CB C 72 68.200 65.865 2.335 1
1 786 . 18 1 1 A 61 61 SER N N 72 116.900 119.702 -2.802 1
1 787 . 18 1 1 A 62 62 SER H H 73 8.810 8.676 0.134 1
1 788 . 18 1 1 A 62 62 SER HA H 73 4.570 4.716 -0.146 1
1 792 . 18 1 1 A 62 62 SER C C 73 175.000 175.254 -0.254 1
1 793 . 18 1 1 A 62 62 SER CA C 73 57.600 57.311 0.289 1
1 794 . 18 1 1 A 62 62 SER CB C 73 65.400 65.290 0.110 1
1 795 . 18 1 1 A 62 62 SER N N 73 117.000 117.818 -0.818 1
1 796 . 18 1 1 A 63 63 GLU H H 74 9.240 8.960 0.280 1
1 797 . 18 1 1 A 63 63 GLU HA H 74 4.140 3.927 0.213 1
1 802 . 18 1 1 A 63 63 GLU C C 74 179.000 178.281 0.719 1
1 803 . 18 1 1 A 63 63 GLU CA C 74 60.100 59.767 0.333 1
1 804 . 18 1 1 A 63 63 GLU CB C 74 29.600 29.458 0.142 1
1 806 . 18 1 1 A 63 63 GLU N N 74 123.600 122.218 1.382 1
1 807 . 18 1 1 A 64 64 GLU H H 75 8.970 7.990 0.980 1
1 808 . 18 1 1 A 64 64 GLU HA H 75 3.950 4.111 -0.161 1
1 813 . 18 1 1 A 64 64 GLU C C 75 179.000 179.200 -0.200 1
1 814 . 18 1 1 A 64 64 GLU CA C 75 60.100 58.907 1.193 1
1 815 . 18 1 1 A 64 64 GLU CB C 75 29.500 29.882 -0.382 1
1 817 . 18 1 1 A 64 64 GLU N N 75 117.000 119.334 -2.334 1
1 818 . 18 1 1 A 65 65 LEU H H 76 7.740 8.008 -0.268 1
1 819 . 18 1 1 A 65 65 LEU HA H 76 4.330 4.226 0.104 1
1 829 . 18 1 1 A 65 65 LEU C C 76 178.900 178.054 0.846 1
1 830 . 18 1 1 A 65 65 LEU CA C 76 57.500 57.788 -0.288 1
1 831 . 18 1 1 A 65 65 LEU CB C 76 41.800 41.978 -0.178 1
1 835 . 18 1 1 A 65 65 LEU N N 76 119.900 121.504 -1.604 1
1 836 . 18 1 1 A 66 66 ASP H H 77 8.620 8.747 -0.127 1
1 837 . 18 1 1 A 66 66 ASP HA H 77 4.580 4.147 0.433 1
1 840 . 18 1 1 A 66 66 ASP C C 77 178.800 178.517 0.283 1
1 841 . 18 1 1 A 66 66 ASP CA C 77 58.300 57.944 0.356 1
1 842 . 18 1 1 A 66 66 ASP CB C 77 42.100 42.047 0.053 1
1 843 . 18 1 1 A 66 66 ASP N N 77 120.300 119.398 0.902 1
1 844 . 18 1 1 A 67 67 LYS H H 78 7.210 7.540 -0.330 1
1 845 . 18 1 1 A 67 67 LYS HA H 78 4.240 4.104 0.136 1
1 854 . 18 1 1 A 67 67 LYS C C 78 177.400 179.870 -2.470 1
1 855 . 18 1 1 A 67 67 LYS CA C 78 58.000 59.046 -1.046 1
1 856 . 18 1 1 A 67 67 LYS CB C 78 33.000 32.126 0.874 1
1 860 . 18 1 1 A 67 67 LYS N N 78 113.200 118.648 -5.448 1
1 861 . 18 1 1 A 68 68 MET H H 79 8.210 7.923 0.287 1
1 862 . 18 1 1 A 68 68 MET HA H 79 4.270 4.216 0.054 1
1 870 . 18 1 1 A 68 68 MET C C 79 176.800 177.312 -0.512 1
1 871 . 18 1 1 A 68 68 MET CA C 79 56.800 58.789 -1.989 1
1 872 . 18 1 1 A 68 68 MET CB C 79 33.900 33.252 0.648 1
1 875 . 18 1 1 A 68 68 MET N N 79 116.400 118.460 -2.060 1
1 876 . 18 1 1 A 69 69 PHE H H 80 7.330 7.725 -0.395 1
1 877 . 18 1 1 A 69 69 PHE HA H 80 4.300 4.528 -0.228 1
1 882 . 18 1 1 A 69 69 PHE C C 80 176.900 175.614 1.286 1
1 883 . 18 1 1 A 69 69 PHE CA C 80 59.300 59.157 0.143 1
1 884 . 18 1 1 A 69 69 PHE CB C 80 40.600 39.397 1.203 1
1 887 . 18 1 1 A 69 69 PHE N N 80 118.100 118.279 -0.179 1
1 888 . 18 1 1 A 70 70 GLN H H 81 8.540 8.992 -0.452 1
1 889 . 18 1 1 A 70 70 GLN HA H 81 4.450 4.499 -0.049 1
1 896 . 18 1 1 A 70 70 GLN C C 81 174.200 175.500 -1.300 1
1 897 . 18 1 1 A 70 70 GLN CA C 81 55.000 56.377 -1.377 1
1 898 . 18 1 1 A 70 70 GLN CB C 81 29.400 30.668 -1.268 1
1 901 . 18 1 1 A 70 70 GLN N N 81 121.600 124.371 -2.771 1
1 903 . 18 1 1 A 71 71 GLU H H 82 8.340 7.786 0.554 1
1 904 . 18 1 1 A 71 71 GLU HA H 82 4.780 4.971 -0.191 1
1 909 . 18 1 1 A 71 71 GLU CA C 82 53.100 54.098 -0.998 1
1 910 . 18 1 1 A 71 71 GLU CB C 82 30.600 32.283 -1.683 1
1 912 . 18 1 1 A 71 71 GLU N N 82 122.900 116.102 6.798 1
1 913 . 18 1 1 A 72 72 PRO HA H 83 4.880 4.590 0.290 1
1 920 . 18 1 1 A 72 72 PRO C C 83 176.200 176.441 -0.241 1
1 921 . 18 1 1 A 72 72 PRO CA C 83 62.100 62.462 -0.362 1
1 922 . 18 1 1 A 72 72 PRO CB C 83 33.800 32.292 1.508 1
1 925 . 18 1 1 A 73 73 ARG H H 84 8.580 8.566 0.014 1
1 926 . 18 1 1 A 73 73 ARG HA H 84 4.390 4.744 -0.354 1
1 934 . 18 1 1 A 73 73 ARG C C 84 176.000 175.806 0.194 1
1 935 . 18 1 1 A 73 73 ARG CA C 84 56.000 56.671 -0.671 1
1 936 . 18 1 1 A 73 73 ARG CB C 84 31.100 30.835 0.265 1
1 940 . 18 1 1 A 73 73 ARG N N 84 123.400 122.469 0.931 1
1 942 . 18 1 1 A 74 74 LYS H H 85 9.080 9.330 -0.250 1
1 943 . 18 1 1 A 74 74 LYS HA H 85 4.540 4.500 0.040 1
1 952 . 18 1 1 A 74 74 LYS C C 85 176.500 176.714 -0.214 1
1 953 . 18 1 1 A 74 74 LYS CA C 85 55.000 57.455 -2.455 1
1 954 . 18 1 1 A 74 74 LYS CB C 85 34.900 33.536 1.364 1
1 958 . 18 1 1 A 74 74 LYS N N 85 123.300 125.011 -1.711 1
1 959 . 18 1 1 A 75 75 GLY H H 86 8.870 7.531 1.339 1
1 960 . 18 1 1 A 75 75 GLY HA2 H 86 3.930 4.108 -0.178 1
1 961 . 18 1 1 A 75 75 GLY HA3 H 86 4.350 4.133 0.217 1
1 962 . 18 1 1 A 75 75 GLY C C 86 174.000 174.610 -0.610 1
1 963 . 18 1 1 A 75 75 GLY CA C 86 44.600 45.659 -1.059 1
1 964 . 18 1 1 A 75 75 GLY N N 86 108.700 103.991 4.709 1
1 965 . 18 1 1 A 76 76 TYR H H 87 8.880 8.843 0.037 1
1 966 . 18 1 1 A 76 76 TYR HA H 87 3.930 4.100 -0.170 1
1 973 . 18 1 1 A 76 76 TYR C C 87 175.800 177.360 -1.560 1
1 974 . 18 1 1 A 76 76 TYR CA C 87 62.900 61.748 1.152 1
1 975 . 18 1 1 A 76 76 TYR CB C 87 38.700 39.001 -0.301 1
1 980 . 18 1 1 A 76 76 TYR N N 87 120.400 121.253 -0.853 1
1 981 . 18 1 1 A 77 77 ASP H H 88 8.450 8.251 0.199 1
1 982 . 18 1 1 A 77 77 ASP HA H 88 4.000 4.296 -0.296 1
1 985 . 18 1 1 A 77 77 ASP C C 88 178.200 179.213 -1.013 1
1 986 . 18 1 1 A 77 77 ASP CA C 88 57.000 56.684 0.316 1
1 987 . 18 1 1 A 77 77 ASP CB C 88 39.600 40.178 -0.578 1
1 988 . 18 1 1 A 77 77 ASP N N 88 115.800 119.535 -3.735 1
1 989 . 18 1 1 A 78 78 GLU H H 89 7.520 8.190 -0.670 1
1 990 . 18 1 1 A 78 78 GLU HA H 89 4.020 4.115 -0.095 1
1 995 . 18 1 1 A 78 78 GLU C C 89 178.500 179.767 -1.267 1
1 996 . 18 1 1 A 78 78 GLU CA C 89 58.500 59.223 -0.723 1
1 997 . 18 1 1 A 78 78 GLU CB C 89 30.100 30.194 -0.094 1
1 999 . 18 1 1 A 78 78 GLU N N 89 119.600 121.535 -1.935 1
1 1000 . 18 1 1 A 79 79 ILE H H 90 7.850 7.728 0.122 1
1 1001 . 18 1 1 A 79 79 ILE HA H 90 3.300 3.796 -0.496 1
1 1011 . 18 1 1 A 79 79 ILE C C 90 177.700 178.119 -0.419 1
1 1012 . 18 1 1 A 79 79 ILE CA C 90 64.600 64.403 0.197 1
1 1013 . 18 1 1 A 79 79 ILE CB C 90 37.700 37.203 0.497 1
1 1017 . 18 1 1 A 79 79 ILE N N 90 121.700 118.153 3.547 1
1 1018 . 18 1 1 A 80 80 LEU H H 91 7.710 7.828 -0.118 1
1 1019 . 18 1 1 A 80 80 LEU HA H 91 3.780 3.822 -0.042 1
1 1029 . 18 1 1 A 80 80 LEU C C 91 178.600 179.449 -0.849 1
1 1030 . 18 1 1 A 80 80 LEU CA C 91 56.900 58.076 -1.176 1
1 1031 . 18 1 1 A 80 80 LEU CB C 91 41.600 40.959 0.641 1
1 1035 . 18 1 1 A 80 80 LEU N N 91 120.500 121.235 -0.735 1
1 1036 . 18 1 1 A 81 81 GLU H H 92 7.620 7.931 -0.311 1
1 1037 . 18 1 1 A 81 81 GLU HA H 92 3.960 3.860 0.100 1
1 1042 . 18 1 1 A 81 81 GLU C C 92 177.400 179.084 -1.684 1
1 1043 . 18 1 1 A 81 81 GLU CA C 92 58.300 59.452 -1.152 1
1 1044 . 18 1 1 A 81 81 GLU CB C 92 29.700 29.168 0.532 1
1 1046 . 18 1 1 A 81 81 GLU N N 92 118.100 120.191 -2.091 1
1 1047 . 18 1 1 A 82 82 HIS H H 93 7.840 7.557 0.283 1
1 1048 . 18 1 1 A 82 82 HIS HA H 93 4.440 4.166 0.274 1
1 1051 . 18 1 1 A 82 82 HIS C C 93 175.600 177.945 -2.345 1
1 1052 . 18 1 1 A 82 82 HIS CA C 93 57.000 59.949 -2.949 1
1 1053 . 18 1 1 A 82 82 HIS CB C 93 29.800 30.068 -0.268 1
1 1054 . 18 1 1 A 82 82 HIS N N 93 116.900 118.643 -1.743 1
1 1055 . 18 1 1 A 83 83 HIS H H 94 8.080 7.922 0.158 1
1 1056 . 18 1 1 A 83 83 HIS HA H 94 4.480 3.824 0.656 1
1 1059 . 18 1 1 A 83 83 HIS CA C 94 56.700 59.343 -2.643 1
1 1060 . 18 1 1 A 83 83 HIS CB C 94 29.900 30.066 -0.166 1
1 1 . 19 1 1 A 2 2 PHE HA H 13 4.400 4.182 0.218 1
1 9 . 19 1 1 A 2 2 PHE C C 13 176.400 177.384 -0.984 1
1 10 . 19 1 1 A 2 2 PHE CA C 13 60.700 61.243 -0.543 1
1 11 . 19 1 1 A 2 2 PHE CB C 13 39.700 38.843 0.857 1
1 17 . 19 1 1 A 3 3 PHE H H 14 9.000 8.216 0.784 1
1 18 . 19 1 1 A 3 3 PHE HA H 14 4.000 4.050 -0.050 1
1 25 . 19 1 1 A 3 3 PHE C C 14 177.400 177.459 -0.059 1
1 26 . 19 1 1 A 3 3 PHE CA C 14 61.400 62.102 -0.702 1
1 27 . 19 1 1 A 3 3 PHE CB C 14 38.400 38.310 0.090 1
1 32 . 19 1 1 A 3 3 PHE N N 14 118.700 118.167 0.533 1
1 33 . 19 1 1 A 4 4 ASN H H 15 8.000 8.481 -0.481 1
1 34 . 19 1 1 A 4 4 ASN HA H 15 4.250 4.370 -0.120 1
1 39 . 19 1 1 A 4 4 ASN C C 15 177.300 177.567 -0.267 1
1 40 . 19 1 1 A 4 4 ASN CA C 15 56.400 57.003 -0.603 1
1 41 . 19 1 1 A 4 4 ASN CB C 15 38.000 39.426 -1.426 1
1 43 . 19 1 1 A 4 4 ASN N N 15 118.300 118.503 -0.203 1
1 45 . 19 1 1 A 5 5 GLU H H 16 8.080 7.827 0.253 1
1 46 . 19 1 1 A 5 5 GLU HA H 16 3.970 4.004 -0.034 1
1 51 . 19 1 1 A 5 5 GLU C C 16 179.600 179.044 0.556 1
1 52 . 19 1 1 A 5 5 GLU CA C 16 59.200 59.037 0.163 1
1 53 . 19 1 1 A 5 5 GLU CB C 16 29.400 29.099 0.301 1
1 55 . 19 1 1 A 5 5 GLU N N 16 120.400 118.784 1.616 1
1 56 . 19 1 1 A 6 6 GLN H H 17 7.930 7.358 0.572 1
1 57 . 19 1 1 A 6 6 GLN HA H 17 3.560 3.797 -0.237 1
1 64 . 19 1 1 A 6 6 GLN CA C 17 58.600 58.419 0.181 1
1 65 . 19 1 1 A 6 6 GLN CB C 17 28.100 28.089 0.011 1
1 68 . 19 1 1 A 6 6 GLN N N 17 117.900 119.098 -1.198 1
1 70 . 19 1 1 A 7 7 LYS H H 18 8.120 7.521 0.599 1
1 71 . 19 1 1 A 7 7 LYS HA H 18 3.350 3.945 -0.595 1
1 80 . 19 1 1 A 7 7 LYS C C 18 179.900 179.028 0.872 1
1 81 . 19 1 1 A 7 7 LYS CA C 18 60.600 59.456 1.144 1
1 82 . 19 1 1 A 7 7 LYS CB C 18 32.000 31.868 0.132 1
1 86 . 19 1 1 A 7 7 LYS N N 18 118.800 119.903 -1.103 1
1 87 . 19 1 1 A 8 8 GLU H H 19 7.740 7.800 -0.060 1
1 88 . 19 1 1 A 8 8 GLU HA H 19 4.040 4.037 0.003 1
1 93 . 19 1 1 A 8 8 GLU C C 19 179.000 179.432 -0.432 1
1 94 . 19 1 1 A 8 8 GLU CA C 19 59.800 59.629 0.171 1
1 95 . 19 1 1 A 8 8 GLU CB C 19 29.100 29.263 -0.163 1
1 97 . 19 1 1 A 8 8 GLU N N 19 121.300 119.996 1.304 1
1 98 . 19 1 1 A 9 9 LYS H H 20 7.500 7.390 0.110 1
1 99 . 19 1 1 A 9 9 LYS HA H 20 3.950 4.081 -0.131 1
1 108 . 19 1 1 A 9 9 LYS C C 20 178.100 179.555 -1.455 1
1 109 . 19 1 1 A 9 9 LYS CA C 20 60.500 59.391 1.109 1
1 110 . 19 1 1 A 9 9 LYS CB C 20 32.200 32.038 0.162 1
1 114 . 19 1 1 A 9 9 LYS N N 20 120.100 119.192 0.908 1
1 115 . 19 1 1 A 10 10 VAL H H 21 8.030 7.618 0.412 1
1 116 . 19 1 1 A 10 10 VAL HA H 21 3.410 3.653 -0.243 1
1 124 . 19 1 1 A 10 10 VAL C C 21 177.400 178.071 -0.671 1
1 125 . 19 1 1 A 10 10 VAL CA C 21 66.600 66.267 0.333 1
1 126 . 19 1 1 A 10 10 VAL CB C 21 31.800 31.816 -0.016 1
1 129 . 19 1 1 A 10 10 VAL N N 21 117.300 119.830 -2.530 1
1 130 . 19 1 1 A 11 11 THR H H 22 8.230 8.309 -0.079 1
1 131 . 19 1 1 A 11 11 THR HA H 22 3.580 3.800 -0.220 1
1 137 . 19 1 1 A 11 11 THR C C 22 174.700 176.254 -1.554 1
1 138 . 19 1 1 A 11 11 THR CA C 22 68.700 66.913 1.787 1
1 139 . 19 1 1 A 11 11 THR CB C 22 68.500 68.460 0.040 1
1 141 . 19 1 1 A 11 11 THR N N 22 115.700 117.483 -1.783 1
1 142 . 19 1 1 A 12 12 LEU H H 23 7.780 8.180 -0.400 1
1 143 . 19 1 1 A 12 12 LEU HA H 23 3.930 3.995 -0.065 1
1 153 . 19 1 1 A 12 12 LEU C C 23 178.400 178.437 -0.037 1
1 154 . 19 1 1 A 12 12 LEU CA C 23 58.500 58.192 0.308 1
1 155 . 19 1 1 A 12 12 LEU CB C 23 42.300 41.693 0.607 1
1 159 . 19 1 1 A 12 12 LEU N N 23 121.400 121.336 0.064 1
1 160 . 19 1 1 A 13 13 TYR H H 24 7.970 8.515 -0.545 1
1 161 . 19 1 1 A 13 13 TYR HA H 24 3.910 4.337 -0.427 1
1 168 . 19 1 1 A 13 13 TYR C C 24 177.400 176.944 0.456 1
1 169 . 19 1 1 A 13 13 TYR CA C 24 61.700 61.514 0.186 1
1 170 . 19 1 1 A 13 13 TYR CB C 24 39.400 38.731 0.669 1
1 175 . 19 1 1 A 13 13 TYR N N 24 119.100 119.685 -0.585 1
1 176 . 19 1 1 A 14 14 LEU H H 25 8.230 8.145 0.085 1
1 177 . 19 1 1 A 14 14 LEU HA H 25 3.400 3.271 0.129 1
1 187 . 19 1 1 A 14 14 LEU C C 25 177.200 178.730 -1.530 1
1 188 . 19 1 1 A 14 14 LEU CA C 25 57.600 56.711 0.889 1
1 189 . 19 1 1 A 14 14 LEU CB C 25 42.200 41.252 0.948 1
1 193 . 19 1 1 A 14 14 LEU N N 25 119.600 118.701 0.899 1
1 194 . 19 1 1 A 15 15 LYS H H 26 8.010 7.913 0.097 1
1 195 . 19 1 1 A 15 15 LYS HA H 26 3.230 3.717 -0.487 1
1 204 . 19 1 1 A 15 15 LYS C C 26 178.800 178.669 0.131 1
1 205 . 19 1 1 A 15 15 LYS CA C 26 59.000 58.850 0.150 1
1 206 . 19 1 1 A 15 15 LYS CB C 26 32.600 32.355 0.245 1
1 210 . 19 1 1 A 15 15 LYS N N 26 117.000 120.297 -3.297 1
1 211 . 19 1 1 A 16 16 HIS H H 27 7.890 7.738 0.152 1
1 212 . 19 1 1 A 16 16 HIS HA H 27 4.030 4.288 -0.258 1
1 217 . 19 1 1 A 16 16 HIS C C 27 175.900 177.859 -1.959 1
1 218 . 19 1 1 A 16 16 HIS CA C 27 59.000 58.386 0.614 1
1 219 . 19 1 1 A 16 16 HIS CB C 27 30.900 28.989 1.911 1
1 222 . 19 1 1 A 16 16 HIS N N 27 113.200 117.553 -4.353 1
1 223 . 19 1 1 A 17 17 ASN H H 28 6.950 7.053 -0.103 1
1 224 . 19 1 1 A 17 17 ASN HA H 28 4.900 4.188 0.712 1
1 229 . 19 1 1 A 17 17 ASN C C 28 172.900 175.228 -2.328 1
1 230 . 19 1 1 A 17 17 ASN CA C 28 54.100 55.644 -1.544 1
1 231 . 19 1 1 A 17 17 ASN CB C 28 42.500 37.736 4.764 1
1 233 . 19 1 1 A 17 17 ASN N N 28 112.200 116.855 -4.655 1
1 235 . 19 1 1 A 18 18 ILE H H 29 7.310 7.512 -0.202 1
1 236 . 19 1 1 A 18 18 ILE HA H 29 4.560 4.341 0.219 1
1 246 . 19 1 1 A 18 18 ILE CA C 29 58.000 57.721 0.279 1
1 247 . 19 1 1 A 18 18 ILE CB C 29 38.000 38.349 -0.349 1
1 251 . 19 1 1 A 18 18 ILE N N 29 119.300 119.272 0.028 1
1 252 . 19 1 1 A 19 19 PRO HA H 30 4.170 4.293 -0.123 1
1 259 . 19 1 1 A 19 19 PRO C C 30 178.000 177.529 0.471 1
1 260 . 19 1 1 A 19 19 PRO CA C 30 65.700 65.183 0.517 1
1 261 . 19 1 1 A 19 19 PRO CB C 30 32.100 31.789 0.311 1
1 264 . 19 1 1 A 20 20 ASP H H 31 8.470 8.442 0.028 1
1 265 . 19 1 1 A 20 20 ASP HA H 31 4.790 4.610 0.180 1
1 268 . 19 1 1 A 20 20 ASP C C 31 175.600 175.963 -0.363 1
1 269 . 19 1 1 A 20 20 ASP CA C 31 53.800 54.397 -0.597 1
1 270 . 19 1 1 A 20 20 ASP CB C 31 39.600 40.679 -1.079 1
1 271 . 19 1 1 A 20 20 ASP N N 31 113.700 117.171 -3.471 1
1 272 . 19 1 1 A 21 21 PHE H H 32 7.890 8.025 -0.135 1
1 273 . 19 1 1 A 21 21 PHE HA H 32 3.810 4.333 -0.523 1
1 281 . 19 1 1 A 21 21 PHE C C 32 174.200 175.261 -1.061 1
1 282 . 19 1 1 A 21 21 PHE CA C 32 61.100 59.607 1.493 1
1 283 . 19 1 1 A 21 21 PHE CB C 32 39.900 39.857 0.043 1
1 289 . 19 1 1 A 21 21 PHE N N 32 122.200 123.526 -1.326 1
1 290 . 19 1 1 A 22 22 ASN H H 33 9.380 8.566 0.814 1
1 291 . 19 1 1 A 22 22 ASN HA H 33 4.680 4.552 0.128 1
1 296 . 19 1 1 A 22 22 ASN C C 33 173.600 173.794 -0.194 1
1 297 . 19 1 1 A 22 22 ASN CA C 33 54.600 54.313 0.287 1
1 298 . 19 1 1 A 22 22 ASN CB C 33 41.700 39.998 1.702 1
1 300 . 19 1 1 A 22 22 ASN N N 33 126.600 125.704 0.896 1
1 302 . 19 1 1 A 23 23 THR H H 34 7.010 7.163 -0.153 1
1 303 . 19 1 1 A 23 23 THR HA H 34 4.280 4.398 -0.118 1
1 308 . 19 1 1 A 23 23 THR C C 34 171.100 171.487 -0.387 1
1 309 . 19 1 1 A 23 23 THR CA C 34 60.300 60.244 0.056 1
1 310 . 19 1 1 A 23 23 THR CB C 34 71.100 70.451 0.649 1
1 312 . 19 1 1 A 23 23 THR N N 34 109.600 111.026 -1.426 1
1 313 . 19 1 1 A 24 24 VAL H H 35 8.290 8.995 -0.705 1
1 314 . 19 1 1 A 24 24 VAL HA H 35 4.850 5.111 -0.261 1
1 322 . 19 1 1 A 24 24 VAL C C 35 171.400 173.637 -2.237 1
1 323 . 19 1 1 A 24 24 VAL CA C 35 59.300 60.023 -0.723 1
1 324 . 19 1 1 A 24 24 VAL CB C 35 35.500 35.289 0.211 1
1 327 . 19 1 1 A 24 24 VAL N N 35 119.500 123.156 -3.656 1
1 328 . 19 1 1 A 25 25 THR H H 36 8.200 8.746 -0.546 1
1 329 . 19 1 1 A 25 25 THR HA H 36 4.150 4.862 -0.712 1
1 334 . 19 1 1 A 25 25 THR C C 36 171.900 173.206 -1.306 1
1 335 . 19 1 1 A 25 25 THR CA C 36 61.100 60.606 0.494 1
1 336 . 19 1 1 A 25 25 THR CB C 36 70.900 70.535 0.365 1
1 338 . 19 1 1 A 25 25 THR N N 36 125.200 123.218 1.982 1
1 339 . 19 1 1 A 26 26 PHE H H 37 8.900 8.773 0.127 1
1 340 . 19 1 1 A 26 26 PHE HA H 37 5.140 4.930 0.210 1
1 348 . 19 1 1 A 26 26 PHE C C 37 176.900 175.197 1.703 1
1 349 . 19 1 1 A 26 26 PHE CA C 37 58.100 57.279 0.821 1
1 350 . 19 1 1 A 26 26 PHE CB C 37 39.900 41.547 -1.647 1
1 356 . 19 1 1 A 26 26 PHE N N 37 124.500 125.476 -0.976 1
1 357 . 19 1 1 A 27 27 THR H H 38 9.090 8.429 0.661 1
1 358 . 19 1 1 A 27 27 THR HA H 38 4.430 4.727 -0.297 1
1 363 . 19 1 1 A 27 27 THR C C 38 174.800 173.567 1.233 1
1 364 . 19 1 1 A 27 27 THR CA C 38 61.600 61.352 0.248 1
1 365 . 19 1 1 A 27 27 THR CB C 38 69.400 70.299 -0.899 1
1 367 . 19 1 1 A 27 27 THR N N 38 114.000 117.306 -3.306 1
1 368 . 19 1 1 A 28 28 ASN H H 39 7.880 7.784 0.096 1
1 369 . 19 1 1 A 28 28 ASN HA H 39 4.780 5.135 -0.355 1
1 374 . 19 1 1 A 28 28 ASN C C 39 173.700 173.278 0.422 1
1 375 . 19 1 1 A 28 28 ASN CA C 39 54.100 53.143 0.957 1
1 376 . 19 1 1 A 28 28 ASN CB C 39 40.800 40.882 -0.082 1
1 378 . 19 1 1 A 28 28 ASN N N 39 118.900 119.433 -0.533 1
1 380 . 19 1 1 A 29 29 GLU H H 40 8.150 8.914 -0.764 1
1 381 . 19 1 1 A 29 29 GLU HA H 40 4.560 4.941 -0.381 1
1 386 . 19 1 1 A 29 29 GLU C C 40 174.800 174.720 0.080 1
1 387 . 19 1 1 A 29 29 GLU CA C 40 55.600 55.313 0.287 1
1 388 . 19 1 1 A 29 29 GLU CB C 40 30.500 30.932 -0.432 1
1 390 . 19 1 1 A 29 29 GLU N N 40 121.700 125.131 -3.431 1
1 391 . 19 1 1 A 30 30 GLU H H 41 8.410 8.867 -0.457 1
1 392 . 19 1 1 A 30 30 GLU HA H 41 4.410 5.004 -0.594 1
1 397 . 19 1 1 A 30 30 GLU C C 41 175.100 175.552 -0.452 1
1 398 . 19 1 1 A 30 30 GLU CA C 41 55.400 54.881 0.519 1
1 399 . 19 1 1 A 30 30 GLU CB C 41 32.200 33.485 -1.285 1
1 401 . 19 1 1 A 30 30 GLU N N 41 120.500 126.283 -5.783 1
1 402 . 19 1 1 A 31 31 PHE H H 42 8.570 8.430 0.140 1
1 403 . 19 1 1 A 31 31 PHE HA H 42 4.820 5.278 -0.458 1
1 411 . 19 1 1 A 31 31 PHE C C 42 174.800 175.398 -0.598 1
1 412 . 19 1 1 A 31 31 PHE CA C 42 57.800 55.787 2.013 1
1 413 . 19 1 1 A 31 31 PHE CB C 42 40.200 40.679 -0.479 1
1 419 . 19 1 1 A 31 31 PHE N N 42 120.700 121.320 -0.620 1
1 420 . 19 1 1 A 32 32 ASN H H 43 8.350 9.184 -0.834 1
1 421 . 19 1 1 A 32 32 ASN HA H 43 4.950 5.106 -0.156 1
1 426 . 19 1 1 A 32 32 ASN CA C 43 51.600 50.561 1.039 1
1 427 . 19 1 1 A 32 32 ASN CB C 43 39.300 38.868 0.432 1
1 429 . 19 1 1 A 32 32 ASN N N 43 122.000 122.305 -0.305 1
1 431 . 19 1 1 A 33 33 PRO HA H 44 4.260 4.366 -0.106 1
1 438 . 19 1 1 A 33 33 PRO C C 44 177.400 178.890 -1.490 1
1 439 . 19 1 1 A 33 33 PRO CA C 44 65.300 65.749 -0.449 1
1 440 . 19 1 1 A 33 33 PRO CB C 44 32.200 31.868 0.332 1
1 443 . 19 1 1 A 34 34 ILE H H 45 7.840 8.171 -0.331 1
1 444 . 19 1 1 A 34 34 ILE HA H 45 4.240 3.852 0.388 1
1 454 . 19 1 1 A 34 34 ILE C C 45 176.400 176.302 0.098 1
1 455 . 19 1 1 A 34 34 ILE CA C 45 61.000 63.863 -2.863 1
1 456 . 19 1 1 A 34 34 ILE CB C 45 38.600 38.424 0.176 1
1 460 . 19 1 1 A 34 34 ILE N N 45 113.700 116.933 -3.233 1
1 461 . 19 1 1 A 35 35 GLY H H 46 7.860 7.454 0.406 1
1 462 . 19 1 1 A 35 35 GLY HA2 H 46 3.870 4.124 -0.254 1
1 463 . 19 1 1 A 35 35 GLY HA3 H 46 4.130 4.129 0.001 1
1 464 . 19 1 1 A 35 35 GLY C C 46 172.700 172.014 0.686 1
1 465 . 19 1 1 A 35 35 GLY CA C 46 45.900 46.081 -0.181 1
1 466 . 19 1 1 A 35 35 GLY N N 46 111.900 106.199 5.701 1
1 467 . 19 1 1 A 36 36 ILE H H 47 8.180 8.726 -0.546 1
1 468 . 19 1 1 A 36 36 ILE HA H 47 4.720 5.213 -0.493 1
1 478 . 19 1 1 A 36 36 ILE C C 47 174.900 174.733 0.167 1
1 479 . 19 1 1 A 36 36 ILE CA C 47 60.500 58.747 1.753 1
1 480 . 19 1 1 A 36 36 ILE CB C 47 40.800 42.270 -1.470 1
1 484 . 19 1 1 A 36 36 ILE N N 47 118.300 121.267 -2.967 1
1 485 . 19 1 1 A 37 37 SER H H 48 8.430 8.870 -0.440 1
1 486 . 19 1 1 A 37 37 SER HA H 48 4.990 5.237 -0.247 1
1 489 . 19 1 1 A 37 37 SER C C 48 172.900 173.785 -0.885 1
1 490 . 19 1 1 A 37 37 SER CA C 48 57.800 57.826 -0.026 1
1 491 . 19 1 1 A 37 37 SER CB C 48 65.600 64.921 0.679 1
1 492 . 19 1 1 A 37 37 SER N N 48 116.700 119.299 -2.599 1
1 493 . 19 1 1 A 38 38 ILE H H 49 9.150 8.870 0.280 1
1 494 . 19 1 1 A 38 38 ILE HA H 49 4.720 5.173 -0.453 1
1 504 . 19 1 1 A 38 38 ILE C C 49 173.900 174.221 -0.321 1
1 505 . 19 1 1 A 38 38 ILE CA C 49 60.600 59.986 0.614 1
1 506 . 19 1 1 A 38 38 ILE CB C 49 41.000 40.931 0.069 1
1 510 . 19 1 1 A 38 38 ILE N N 49 124.300 127.788 -3.488 1
1 511 . 19 1 1 A 39 39 ASP H H 50 8.700 8.890 -0.190 1
1 512 . 19 1 1 A 39 39 ASP HA H 50 5.540 5.699 -0.159 1
1 515 . 19 1 1 A 39 39 ASP C C 50 176.200 174.829 1.371 1
1 516 . 19 1 1 A 39 39 ASP CA C 50 52.300 52.245 0.055 1
1 517 . 19 1 1 A 39 39 ASP CB C 50 44.300 45.051 -0.751 1
1 518 . 19 1 1 A 39 39 ASP N N 50 126.600 127.376 -0.776 1
1 519 . 19 1 1 A 40 40 GLY H H 51 7.100 7.311 -0.211 1
1 520 . 19 1 1 A 40 40 GLY HA2 H 51 3.780 3.834 -0.054 1
1 521 . 19 1 1 A 40 40 GLY HA3 H 51 4.070 4.008 0.062 1
1 522 . 19 1 1 A 40 40 GLY C C 51 170.100 171.371 -1.271 1
1 523 . 19 1 1 A 40 40 GLY CA C 51 47.200 45.856 1.344 1
1 524 . 19 1 1 A 40 40 GLY N N 51 106.400 109.434 -3.034 1
1 525 . 19 1 1 A 41 41 TYR H H 52 8.390 8.166 0.224 1
1 526 . 19 1 1 A 41 41 TYR HA H 52 5.530 5.877 -0.347 1
1 533 . 19 1 1 A 41 41 TYR C C 52 175.200 173.278 1.922 1
1 534 . 19 1 1 A 41 41 TYR CA C 52 56.000 55.872 0.128 1
1 535 . 19 1 1 A 41 41 TYR CB C 52 39.200 42.142 -2.942 1
1 540 . 19 1 1 A 41 41 TYR N N 52 113.900 115.327 -1.427 1
1 541 . 19 1 1 A 42 42 ILE H H 53 8.420 8.410 0.010 1
1 542 . 19 1 1 A 42 42 ILE HA H 53 5.450 5.015 0.435 1
1 552 . 19 1 1 A 42 42 ILE C C 53 174.500 175.222 -0.722 1
1 553 . 19 1 1 A 42 42 ILE CA C 53 59.300 59.540 -0.240 1
1 554 . 19 1 1 A 42 42 ILE CB C 53 40.700 41.116 -0.416 1
1 558 . 19 1 1 A 42 42 ILE N N 53 113.200 117.258 -4.058 1
1 559 . 19 1 1 A 43 43 ASN H H 54 8.760 9.247 -0.487 1
1 560 . 19 1 1 A 43 43 ASN HA H 54 4.120 4.396 -0.276 1
1 565 . 19 1 1 A 43 43 ASN C C 54 173.900 174.535 -0.635 1
1 566 . 19 1 1 A 43 43 ASN CA C 54 53.300 54.617 -1.317 1
1 567 . 19 1 1 A 43 43 ASN CB C 54 35.500 37.020 -1.520 1
1 569 . 19 1 1 A 43 43 ASN N N 54 116.700 119.049 -2.349 1
1 571 . 19 1 1 A 44 44 ASN H H 55 9.270 8.668 0.602 1
1 572 . 19 1 1 A 44 44 ASN HA H 55 4.260 4.396 -0.136 1
1 577 . 19 1 1 A 44 44 ASN C C 55 173.600 173.649 -0.049 1
1 578 . 19 1 1 A 44 44 ASN CA C 55 54.800 54.756 0.044 1
1 579 . 19 1 1 A 44 44 ASN CB C 55 38.100 37.332 0.768 1
1 581 . 19 1 1 A 44 44 ASN N N 55 110.300 108.729 1.571 1
1 583 . 19 1 1 A 45 45 ASP H H 56 8.100 8.103 -0.003 1
1 584 . 19 1 1 A 45 45 ASP HA H 56 4.760 4.765 -0.005 1
1 587 . 19 1 1 A 45 45 ASP C C 56 175.900 176.051 -0.151 1
1 588 . 19 1 1 A 45 45 ASP CA C 56 52.600 53.028 -0.428 1
1 589 . 19 1 1 A 45 45 ASP CB C 56 42.000 41.704 0.296 1
1 590 . 19 1 1 A 45 45 ASP N N 56 119.500 118.395 1.105 1
1 591 . 19 1 1 A 46 46 LYS H H 57 8.260 8.620 -0.360 1
1 592 . 19 1 1 A 46 46 LYS HA H 57 2.760 3.698 -0.938 1
1 601 . 19 1 1 A 46 46 LYS C C 57 177.100 178.457 -1.357 1
1 602 . 19 1 1 A 46 46 LYS CA C 57 58.400 59.565 -1.165 1
1 603 . 19 1 1 A 46 46 LYS CB C 57 31.700 32.064 -0.364 1
1 607 . 19 1 1 A 46 46 LYS N N 57 124.100 125.894 -1.794 1
1 608 . 19 1 1 A 47 47 ASN H H 58 8.610 8.061 0.549 1
1 609 . 19 1 1 A 47 47 ASN HA H 58 4.620 4.576 0.044 1
1 614 . 19 1 1 A 47 47 ASN C C 58 177.000 176.702 0.298 1
1 615 . 19 1 1 A 47 47 ASN CA C 58 54.400 56.269 -1.869 1
1 616 . 19 1 1 A 47 47 ASN CB C 58 38.500 38.470 0.030 1
1 618 . 19 1 1 A 47 47 ASN N N 58 114.800 117.279 -2.479 1
1 620 . 19 1 1 A 48 48 LEU H H 59 8.470 7.486 0.984 1
1 621 . 19 1 1 A 48 48 LEU HA H 59 4.470 4.556 -0.086 1
1 631 . 19 1 1 A 48 48 LEU C C 59 175.300 175.438 -0.138 1
1 632 . 19 1 1 A 48 48 LEU CA C 59 52.800 54.312 -1.512 1
1 633 . 19 1 1 A 48 48 LEU CB C 59 39.100 40.155 -1.055 1
1 637 . 19 1 1 A 48 48 LEU N N 59 125.800 120.107 5.693 1
1 638 . 19 1 1 A 49 49 SER H H 60 7.270 8.803 -1.533 1
1 639 . 19 1 1 A 49 49 SER HA H 60 5.230 5.735 -0.505 1
1 642 . 19 1 1 A 49 49 SER C C 60 173.200 173.134 0.066 1
1 643 . 19 1 1 A 49 49 SER CA C 60 56.900 56.189 0.711 1
1 644 . 19 1 1 A 49 49 SER CB C 60 66.500 66.440 0.060 1
1 645 . 19 1 1 A 49 49 SER N N 60 112.400 119.966 -7.566 1
1 646 . 19 1 1 A 50 50 PHE H H 61 8.260 8.418 -0.158 1
1 647 . 19 1 1 A 50 50 PHE HA H 61 5.490 5.412 0.078 1
1 655 . 19 1 1 A 50 50 PHE C C 61 174.500 172.646 1.854 1
1 656 . 19 1 1 A 50 50 PHE CA C 61 56.300 55.832 0.468 1
1 657 . 19 1 1 A 50 50 PHE CB C 61 44.600 42.208 2.392 1
1 663 . 19 1 1 A 50 50 PHE N N 61 114.200 118.702 -4.502 1
1 664 . 19 1 1 A 51 51 THR H H 62 8.520 8.847 -0.327 1
1 665 . 19 1 1 A 51 51 THR HA H 62 5.140 5.415 -0.275 1
1 670 . 19 1 1 A 51 51 THR C C 62 172.600 173.714 -1.114 1
1 671 . 19 1 1 A 51 51 THR CA C 62 62.000 60.925 1.075 1
1 672 . 19 1 1 A 51 51 THR CB C 62 72.000 71.852 0.148 1
1 674 . 19 1 1 A 51 51 THR N N 62 116.000 115.024 0.976 1
1 675 . 19 1 1 A 52 52 ALA H H 63 9.870 9.183 0.687 1
1 676 . 19 1 1 A 52 52 ALA HA H 63 5.180 5.607 -0.427 1
1 680 . 19 1 1 A 52 52 ALA C C 63 176.300 175.670 0.630 1
1 681 . 19 1 1 A 52 52 ALA CA C 63 50.300 50.528 -0.228 1
1 682 . 19 1 1 A 52 52 ALA CB C 63 24.000 23.003 0.997 1
1 683 . 19 1 1 A 52 52 ALA N N 63 130.400 127.803 2.597 1
1 684 . 19 1 1 A 53 53 GLY H H 64 8.340 9.366 -1.026 1
1 685 . 19 1 1 A 53 53 GLY HA2 H 64 3.630 4.316 -0.686 1
1 686 . 19 1 1 A 53 53 GLY HA3 H 64 4.830 4.324 0.506 1
1 687 . 19 1 1 A 53 53 GLY C C 64 173.200 174.432 -1.232 1
1 688 . 19 1 1 A 53 53 GLY CA C 64 43.200 44.363 -1.163 1
1 689 . 19 1 1 A 53 53 GLY N N 64 107.100 109.392 -2.292 1
1 690 . 19 1 1 A 54 54 LYS H H 65 8.430 9.510 -1.080 1
1 691 . 19 1 1 A 54 54 LYS HA H 65 3.750 3.980 -0.230 1
1 700 . 19 1 1 A 54 54 LYS CA C 65 58.300 57.350 0.950 1
1 701 . 19 1 1 A 54 54 LYS CB C 65 32.600 30.872 1.728 1
1 705 . 19 1 1 A 54 54 LYS N N 65 119.300 126.168 -6.868 1
1 708 . 19 1 1 A 55 55 ASP C C 66 172.900 175.818 -2.918 1
1 709 . 19 1 1 A 56 56 VAL H H 67 8.510 8.214 0.296 1
1 710 . 19 1 1 A 56 56 VAL HA H 67 3.100 4.333 -1.233 1
1 718 . 19 1 1 A 56 56 VAL C C 67 176.400 176.564 -0.164 1
1 719 . 19 1 1 A 56 56 VAL CA C 67 62.800 61.673 1.127 1
1 720 . 19 1 1 A 56 56 VAL CB C 67 30.400 32.706 -2.306 1
1 723 . 19 1 1 A 56 56 VAL N N 67 112.700 123.140 -10.440 1
1 724 . 19 1 1 A 57 57 LYS H H 68 7.580 8.005 -0.425 1
1 725 . 19 1 1 A 57 57 LYS HA H 68 4.000 4.026 -0.026 1
1 734 . 19 1 1 A 57 57 LYS C C 68 176.700 175.828 0.872 1
1 735 . 19 1 1 A 57 57 LYS CA C 68 58.400 59.244 -0.844 1
1 736 . 19 1 1 A 57 57 LYS CB C 68 32.100 32.804 -0.704 1
1 740 . 19 1 1 A 57 57 LYS N N 68 118.700 123.295 -4.595 1
1 741 . 19 1 1 A 58 58 ILE H H 69 7.160 7.734 -0.574 1
1 742 . 19 1 1 A 58 58 ILE HA H 69 4.270 4.647 -0.377 1
1 752 . 19 1 1 A 58 58 ILE C C 69 174.300 174.404 -0.104 1
1 753 . 19 1 1 A 58 58 ILE CA C 69 59.900 60.429 -0.529 1
1 754 . 19 1 1 A 58 58 ILE CB C 69 41.000 40.459 0.541 1
1 758 . 19 1 1 A 58 58 ILE N N 69 115.700 118.613 -2.913 1
1 759 . 19 1 1 A 59 59 PHE H H 70 8.560 8.984 -0.424 1
1 760 . 19 1 1 A 59 59 PHE HA H 70 4.890 5.498 -0.608 1
1 765 . 19 1 1 A 59 59 PHE C C 70 173.500 173.751 -0.251 1
1 766 . 19 1 1 A 59 59 PHE CA C 70 58.700 56.474 2.226 1
1 767 . 19 1 1 A 59 59 PHE CB C 70 42.400 42.664 -0.264 1
1 770 . 19 1 1 A 59 59 PHE N N 70 127.500 128.695 -1.195 1
1 771 . 19 1 1 A 60 60 SER H H 71 8.430 8.724 -0.294 1
1 772 . 19 1 1 A 60 60 SER HA H 71 4.850 5.215 -0.365 1
1 775 . 19 1 1 A 60 60 SER C C 71 172.100 172.836 -0.736 1
1 776 . 19 1 1 A 60 60 SER CA C 71 56.900 56.670 0.230 1
1 777 . 19 1 1 A 60 60 SER CB C 71 65.000 66.238 -1.238 1
1 778 . 19 1 1 A 60 60 SER N N 71 124.200 122.306 1.894 1
1 779 . 19 1 1 A 61 61 SER H H 72 8.630 8.728 -0.098 1
1 780 . 19 1 1 A 61 61 SER HA H 72 5.380 5.018 0.362 1
1 783 . 19 1 1 A 61 61 SER C C 72 174.700 173.255 1.445 1
1 784 . 19 1 1 A 61 61 SER CA C 72 57.400 57.474 -0.074 1
1 785 . 19 1 1 A 61 61 SER CB C 72 68.200 66.302 1.898 1
1 786 . 19 1 1 A 61 61 SER N N 72 116.900 115.867 1.033 1
1 787 . 19 1 1 A 62 62 SER H H 73 8.810 8.856 -0.046 1
1 788 . 19 1 1 A 62 62 SER HA H 73 4.570 4.735 -0.165 1
1 792 . 19 1 1 A 62 62 SER C C 73 175.000 176.039 -1.039 1
1 793 . 19 1 1 A 62 62 SER CA C 73 57.600 57.253 0.347 1
1 794 . 19 1 1 A 62 62 SER CB C 73 65.400 65.322 0.078 1
1 795 . 19 1 1 A 62 62 SER N N 73 117.000 116.602 0.398 1
1 796 . 19 1 1 A 63 63 GLU H H 74 9.240 9.040 0.200 1
1 797 . 19 1 1 A 63 63 GLU HA H 74 4.140 4.065 0.075 1
1 802 . 19 1 1 A 63 63 GLU C C 74 179.000 178.682 0.318 1
1 803 . 19 1 1 A 63 63 GLU CA C 74 60.100 60.002 0.098 1
1 804 . 19 1 1 A 63 63 GLU CB C 74 29.600 29.386 0.214 1
1 806 . 19 1 1 A 63 63 GLU N N 74 123.600 120.690 2.910 1
1 807 . 19 1 1 A 64 64 GLU H H 75 8.970 8.087 0.883 1
1 808 . 19 1 1 A 64 64 GLU HA H 75 3.950 4.048 -0.098 1
1 813 . 19 1 1 A 64 64 GLU C C 75 179.000 179.102 -0.102 1
1 814 . 19 1 1 A 64 64 GLU CA C 75 60.100 59.115 0.985 1
1 815 . 19 1 1 A 64 64 GLU CB C 75 29.500 29.410 0.090 1
1 817 . 19 1 1 A 64 64 GLU N N 75 117.000 120.652 -3.652 1
1 818 . 19 1 1 A 65 65 LEU H H 76 7.740 7.866 -0.126 1
1 819 . 19 1 1 A 65 65 LEU HA H 76 4.330 4.230 0.100 1
1 829 . 19 1 1 A 65 65 LEU C C 76 178.900 178.236 0.664 1
1 830 . 19 1 1 A 65 65 LEU CA C 76 57.500 57.825 -0.325 1
1 831 . 19 1 1 A 65 65 LEU CB C 76 41.800 41.831 -0.031 1
1 835 . 19 1 1 A 65 65 LEU N N 76 119.900 121.927 -2.027 1
1 836 . 19 1 1 A 66 66 ASP H H 77 8.620 8.189 0.431 1
1 837 . 19 1 1 A 66 66 ASP HA H 77 4.580 4.466 0.114 1
1 840 . 19 1 1 A 66 66 ASP C C 77 178.800 178.397 0.403 1
1 841 . 19 1 1 A 66 66 ASP CA C 77 58.300 57.809 0.491 1
1 842 . 19 1 1 A 66 66 ASP CB C 77 42.100 42.306 -0.206 1
1 843 . 19 1 1 A 66 66 ASP N N 77 120.300 119.323 0.977 1
1 844 . 19 1 1 A 67 67 LYS H H 78 7.210 7.660 -0.450 1
1 845 . 19 1 1 A 67 67 LYS HA H 78 4.240 4.123 0.117 1
1 854 . 19 1 1 A 67 67 LYS C C 78 177.400 179.689 -2.289 1
1 855 . 19 1 1 A 67 67 LYS CA C 78 58.000 58.673 -0.673 1
1 856 . 19 1 1 A 67 67 LYS CB C 78 33.000 32.059 0.941 1
1 860 . 19 1 1 A 67 67 LYS N N 78 113.200 118.544 -5.344 1
1 861 . 19 1 1 A 68 68 MET H H 79 8.210 8.282 -0.072 1
1 862 . 19 1 1 A 68 68 MET HA H 79 4.270 4.208 0.062 1
1 870 . 19 1 1 A 68 68 MET C C 79 176.800 177.071 -0.271 1
1 871 . 19 1 1 A 68 68 MET CA C 79 56.800 58.399 -1.599 1
1 872 . 19 1 1 A 68 68 MET CB C 79 33.900 32.767 1.133 1
1 875 . 19 1 1 A 68 68 MET N N 79 116.400 118.270 -1.870 1
1 876 . 19 1 1 A 69 69 PHE H H 80 7.330 7.556 -0.226 1
1 877 . 19 1 1 A 69 69 PHE HA H 80 4.300 4.411 -0.111 1
1 882 . 19 1 1 A 69 69 PHE C C 80 176.900 175.629 1.271 1
1 883 . 19 1 1 A 69 69 PHE CA C 80 59.300 59.282 0.018 1
1 884 . 19 1 1 A 69 69 PHE CB C 80 40.600 39.238 1.362 1
1 887 . 19 1 1 A 69 69 PHE N N 80 118.100 119.062 -0.962 1
1 888 . 19 1 1 A 70 70 GLN H H 81 8.540 8.757 -0.217 1
1 889 . 19 1 1 A 70 70 GLN HA H 81 4.450 4.431 0.019 1
1 896 . 19 1 1 A 70 70 GLN C C 81 174.200 175.807 -1.607 1
1 897 . 19 1 1 A 70 70 GLN CA C 81 55.000 57.295 -2.295 1
1 898 . 19 1 1 A 70 70 GLN CB C 81 29.400 29.832 -0.432 1
1 901 . 19 1 1 A 70 70 GLN N N 81 121.600 125.185 -3.585 1
1 903 . 19 1 1 A 71 71 GLU H H 82 8.340 7.886 0.454 1
1 904 . 19 1 1 A 71 71 GLU HA H 82 4.780 4.576 0.204 1
1 909 . 19 1 1 A 71 71 GLU CA C 82 53.100 54.337 -1.237 1
1 910 . 19 1 1 A 71 71 GLU CB C 82 30.600 30.547 0.053 1
1 912 . 19 1 1 A 71 71 GLU N N 82 122.900 116.597 6.303 1
1 913 . 19 1 1 A 72 72 PRO HA H 83 4.880 4.530 0.350 1
1 920 . 19 1 1 A 72 72 PRO C C 83 176.200 176.756 -0.556 1
1 921 . 19 1 1 A 72 72 PRO CA C 83 62.100 62.770 -0.670 1
1 922 . 19 1 1 A 72 72 PRO CB C 83 33.800 32.264 1.536 1
1 925 . 19 1 1 A 73 73 ARG H H 84 8.580 8.388 0.192 1
1 926 . 19 1 1 A 73 73 ARG HA H 84 4.390 4.660 -0.270 1
1 934 . 19 1 1 A 73 73 ARG C C 84 176.000 176.712 -0.712 1
1 935 . 19 1 1 A 73 73 ARG CA C 84 56.000 56.787 -0.787 1
1 936 . 19 1 1 A 73 73 ARG CB C 84 31.100 31.020 0.080 1
1 940 . 19 1 1 A 73 73 ARG N N 84 123.400 122.489 0.911 1
1 942 . 19 1 1 A 74 74 LYS H H 85 9.080 9.114 -0.034 1
1 943 . 19 1 1 A 74 74 LYS HA H 85 4.540 5.022 -0.482 1
1 952 . 19 1 1 A 74 74 LYS C C 85 176.500 176.810 -0.310 1
1 953 . 19 1 1 A 74 74 LYS CA C 85 55.000 54.504 0.496 1
1 954 . 19 1 1 A 74 74 LYS CB C 85 34.900 36.217 -1.317 1
1 958 . 19 1 1 A 74 74 LYS N N 85 123.300 122.157 1.143 1
1 959 . 19 1 1 A 75 75 GLY H H 86 8.870 8.343 0.527 1
1 960 . 19 1 1 A 75 75 GLY HA2 H 86 3.930 4.149 -0.219 1
1 961 . 19 1 1 A 75 75 GLY HA3 H 86 4.350 4.167 0.183 1
1 962 . 19 1 1 A 75 75 GLY C C 86 174.000 175.227 -1.227 1
1 963 . 19 1 1 A 75 75 GLY CA C 86 44.600 45.588 -0.988 1
1 964 . 19 1 1 A 75 75 GLY N N 86 108.700 110.739 -2.039 1
1 965 . 19 1 1 A 76 76 TYR H H 87 8.880 9.111 -0.231 1
1 966 . 19 1 1 A 76 76 TYR HA H 87 3.930 4.128 -0.198 1
1 973 . 19 1 1 A 76 76 TYR C C 87 175.800 177.405 -1.605 1
1 974 . 19 1 1 A 76 76 TYR CA C 87 62.900 61.328 1.572 1
1 975 . 19 1 1 A 76 76 TYR CB C 87 38.700 39.017 -0.317 1
1 980 . 19 1 1 A 76 76 TYR N N 87 120.400 121.952 -1.552 1
1 981 . 19 1 1 A 77 77 ASP H H 88 8.450 8.737 -0.287 1
1 982 . 19 1 1 A 77 77 ASP HA H 88 4.000 4.238 -0.238 1
1 985 . 19 1 1 A 77 77 ASP C C 88 178.200 178.936 -0.736 1
1 986 . 19 1 1 A 77 77 ASP CA C 88 57.000 56.779 0.221 1
1 987 . 19 1 1 A 77 77 ASP CB C 88 39.600 39.798 -0.198 1
1 988 . 19 1 1 A 77 77 ASP N N 88 115.800 119.011 -3.211 1
1 989 . 19 1 1 A 78 78 GLU H H 89 7.520 8.200 -0.680 1
1 990 . 19 1 1 A 78 78 GLU HA H 89 4.020 4.097 -0.077 1
1 995 . 19 1 1 A 78 78 GLU C C 89 178.500 178.731 -0.231 1
1 996 . 19 1 1 A 78 78 GLU CA C 89 58.500 59.024 -0.524 1
1 997 . 19 1 1 A 78 78 GLU CB C 89 30.100 29.579 0.521 1
1 999 . 19 1 1 A 78 78 GLU N N 89 119.600 119.463 0.137 1
1 1000 . 19 1 1 A 79 79 ILE H H 90 7.850 7.707 0.143 1
1 1001 . 19 1 1 A 79 79 ILE HA H 90 3.300 3.683 -0.383 1
1 1011 . 19 1 1 A 79 79 ILE C C 90 177.700 178.090 -0.390 1
1 1012 . 19 1 1 A 79 79 ILE CA C 90 64.600 64.339 0.261 1
1 1013 . 19 1 1 A 79 79 ILE CB C 90 37.700 37.131 0.569 1
1 1017 . 19 1 1 A 79 79 ILE N N 90 121.700 119.689 2.011 1
1 1018 . 19 1 1 A 80 80 LEU H H 91 7.710 7.795 -0.085 1
1 1019 . 19 1 1 A 80 80 LEU HA H 91 3.780 3.806 -0.026 1
1 1029 . 19 1 1 A 80 80 LEU C C 91 178.600 179.352 -0.752 1
1 1030 . 19 1 1 A 80 80 LEU CA C 91 56.900 58.058 -1.158 1
1 1031 . 19 1 1 A 80 80 LEU CB C 91 41.600 41.002 0.598 1
1 1035 . 19 1 1 A 80 80 LEU N N 91 120.500 121.480 -0.980 1
1 1036 . 19 1 1 A 81 81 GLU H H 92 7.620 7.638 -0.018 1
1 1037 . 19 1 1 A 81 81 GLU HA H 92 3.960 4.000 -0.040 1
1 1042 . 19 1 1 A 81 81 GLU C C 92 177.400 177.296 0.104 1
1 1043 . 19 1 1 A 81 81 GLU CA C 92 58.300 59.484 -1.184 1
1 1044 . 19 1 1 A 81 81 GLU CB C 92 29.700 29.581 0.119 1
1 1046 . 19 1 1 A 81 81 GLU N N 92 118.100 118.192 -0.092 1
1 1047 . 19 1 1 A 82 82 HIS H H 93 7.840 8.024 -0.184 1
1 1048 . 19 1 1 A 82 82 HIS HA H 93 4.440 4.393 0.047 1
1 1051 . 19 1 1 A 82 82 HIS C C 93 175.600 174.417 1.183 1
1 1052 . 19 1 1 A 82 82 HIS CA C 93 57.000 58.393 -1.393 1
1 1053 . 19 1 1 A 82 82 HIS CB C 93 29.800 29.385 0.415 1
1 1054 . 19 1 1 A 82 82 HIS N N 93 116.900 118.071 -1.171 1
1 1055 . 19 1 1 A 83 83 HIS H H 94 8.080 8.809 -0.729 1
1 1056 . 19 1 1 A 83 83 HIS HA H 94 4.480 4.479 0.001 1
1 1059 . 19 1 1 A 83 83 HIS CA C 94 56.700 57.601 -0.901 1
1 1060 . 19 1 1 A 83 83 HIS CB C 94 29.900 30.641 -0.741 1
1 1 . 20 1 1 A 2 2 PHE HA H 13 4.400 4.208 0.192 1
1 9 . 20 1 1 A 2 2 PHE C C 13 176.400 178.256 -1.856 1
1 10 . 20 1 1 A 2 2 PHE CA C 13 60.700 61.493 -0.793 1
1 11 . 20 1 1 A 2 2 PHE CB C 13 39.700 38.527 1.173 1
1 17 . 20 1 1 A 3 3 PHE H H 14 9.000 8.351 0.649 1
1 18 . 20 1 1 A 3 3 PHE HA H 14 4.000 4.122 -0.122 1
1 25 . 20 1 1 A 3 3 PHE C C 14 177.400 178.263 -0.863 1
1 26 . 20 1 1 A 3 3 PHE CA C 14 61.400 62.514 -1.114 1
1 27 . 20 1 1 A 3 3 PHE CB C 14 38.400 38.667 -0.267 1
1 32 . 20 1 1 A 3 3 PHE N N 14 118.700 117.980 0.720 1
1 33 . 20 1 1 A 4 4 ASN H H 15 8.000 8.179 -0.179 1
1 34 . 20 1 1 A 4 4 ASN HA H 15 4.250 4.192 0.058 1
1 39 . 20 1 1 A 4 4 ASN C C 15 177.300 178.631 -1.331 1
1 40 . 20 1 1 A 4 4 ASN CA C 15 56.400 56.473 -0.073 1
1 41 . 20 1 1 A 4 4 ASN CB C 15 38.000 37.815 0.185 1
1 43 . 20 1 1 A 4 4 ASN N N 15 118.300 117.092 1.208 1
1 45 . 20 1 1 A 5 5 GLU H H 16 8.080 7.882 0.198 1
1 46 . 20 1 1 A 5 5 GLU HA H 16 3.970 4.020 -0.050 1
1 51 . 20 1 1 A 5 5 GLU C C 16 179.600 179.152 0.448 1
1 52 . 20 1 1 A 5 5 GLU CA C 16 59.200 59.085 0.115 1
1 53 . 20 1 1 A 5 5 GLU CB C 16 29.400 29.169 0.231 1
1 55 . 20 1 1 A 5 5 GLU N N 16 120.400 120.520 -0.120 1
1 56 . 20 1 1 A 6 6 GLN H H 17 7.930 7.614 0.316 1
1 57 . 20 1 1 A 6 6 GLN HA H 17 3.560 3.917 -0.357 1
1 64 . 20 1 1 A 6 6 GLN CA C 17 58.600 58.562 0.038 1
1 65 . 20 1 1 A 6 6 GLN CB C 17 28.100 28.038 0.062 1
1 68 . 20 1 1 A 6 6 GLN N N 17 117.900 119.246 -1.346 1
1 70 . 20 1 1 A 7 7 LYS H H 18 8.120 7.447 0.673 1
1 71 . 20 1 1 A 7 7 LYS HA H 18 3.350 3.618 -0.268 1
1 80 . 20 1 1 A 7 7 LYS C C 18 179.900 178.892 1.008 1
1 81 . 20 1 1 A 7 7 LYS CA C 18 60.600 59.264 1.336 1
1 82 . 20 1 1 A 7 7 LYS CB C 18 32.000 31.420 0.580 1
1 86 . 20 1 1 A 7 7 LYS N N 18 118.800 119.922 -1.122 1
1 87 . 20 1 1 A 8 8 GLU H H 19 7.740 7.758 -0.018 1
1 88 . 20 1 1 A 8 8 GLU HA H 19 4.040 4.133 -0.093 1
1 93 . 20 1 1 A 8 8 GLU C C 19 179.000 179.243 -0.243 1
1 94 . 20 1 1 A 8 8 GLU CA C 19 59.800 59.309 0.491 1
1 95 . 20 1 1 A 8 8 GLU CB C 19 29.100 29.188 -0.088 1
1 97 . 20 1 1 A 8 8 GLU N N 19 121.300 120.054 1.246 1
1 98 . 20 1 1 A 9 9 LYS H H 20 7.500 7.377 0.123 1
1 99 . 20 1 1 A 9 9 LYS HA H 20 3.950 3.992 -0.042 1
1 108 . 20 1 1 A 9 9 LYS C C 20 178.100 179.397 -1.297 1
1 109 . 20 1 1 A 9 9 LYS CA C 20 60.500 59.344 1.156 1
1 110 . 20 1 1 A 9 9 LYS CB C 20 32.200 31.950 0.250 1
1 114 . 20 1 1 A 9 9 LYS N N 20 120.100 119.315 0.785 1
1 115 . 20 1 1 A 10 10 VAL H H 21 8.030 7.515 0.515 1
1 116 . 20 1 1 A 10 10 VAL HA H 21 3.410 3.554 -0.144 1
1 124 . 20 1 1 A 10 10 VAL C C 21 177.400 178.183 -0.783 1
1 125 . 20 1 1 A 10 10 VAL CA C 21 66.600 66.192 0.408 1
1 126 . 20 1 1 A 10 10 VAL CB C 21 31.800 31.741 0.059 1
1 129 . 20 1 1 A 10 10 VAL N N 21 117.300 119.747 -2.447 1
1 130 . 20 1 1 A 11 11 THR H H 22 8.230 8.143 0.087 1
1 131 . 20 1 1 A 11 11 THR HA H 22 3.580 3.883 -0.303 1
1 137 . 20 1 1 A 11 11 THR C C 22 174.700 176.213 -1.513 1
1 138 . 20 1 1 A 11 11 THR CA C 22 68.700 66.909 1.791 1
1 139 . 20 1 1 A 11 11 THR CB C 22 68.500 68.302 0.198 1
1 141 . 20 1 1 A 11 11 THR N N 22 115.700 117.334 -1.634 1
1 142 . 20 1 1 A 12 12 LEU H H 23 7.780 8.155 -0.375 1
1 143 . 20 1 1 A 12 12 LEU HA H 23 3.930 3.845 0.085 1
1 153 . 20 1 1 A 12 12 LEU C C 23 178.400 178.383 0.017 1
1 154 . 20 1 1 A 12 12 LEU CA C 23 58.500 58.180 0.320 1
1 155 . 20 1 1 A 12 12 LEU CB C 23 42.300 41.788 0.512 1
1 159 . 20 1 1 A 12 12 LEU N N 23 121.400 121.332 0.068 1
1 160 . 20 1 1 A 13 13 TYR H H 24 7.970 8.371 -0.401 1
1 161 . 20 1 1 A 13 13 TYR HA H 24 3.910 4.216 -0.306 1
1 168 . 20 1 1 A 13 13 TYR C C 24 177.400 177.007 0.393 1
1 169 . 20 1 1 A 13 13 TYR CA C 24 61.700 61.660 0.040 1
1 170 . 20 1 1 A 13 13 TYR CB C 24 39.400 38.940 0.460 1
1 175 . 20 1 1 A 13 13 TYR N N 24 119.100 119.602 -0.502 1
1 176 . 20 1 1 A 14 14 LEU H H 25 8.230 8.272 -0.042 1
1 177 . 20 1 1 A 14 14 LEU HA H 25 3.400 3.512 -0.112 1
1 187 . 20 1 1 A 14 14 LEU C C 25 177.200 178.826 -1.626 1
1 188 . 20 1 1 A 14 14 LEU CA C 25 57.600 57.684 -0.084 1
1 189 . 20 1 1 A 14 14 LEU CB C 25 42.200 41.186 1.014 1
1 193 . 20 1 1 A 14 14 LEU N N 25 119.600 119.461 0.139 1
1 194 . 20 1 1 A 15 15 LYS H H 26 8.010 7.905 0.105 1
1 195 . 20 1 1 A 15 15 LYS HA H 26 3.230 3.615 -0.385 1
1 204 . 20 1 1 A 15 15 LYS C C 26 178.800 178.639 0.161 1
1 205 . 20 1 1 A 15 15 LYS CA C 26 59.000 58.857 0.143 1
1 206 . 20 1 1 A 15 15 LYS CB C 26 32.600 31.718 0.882 1
1 210 . 20 1 1 A 15 15 LYS N N 26 117.000 119.887 -2.887 1
1 211 . 20 1 1 A 16 16 HIS H H 27 7.890 7.305 0.585 1
1 212 . 20 1 1 A 16 16 HIS HA H 27 4.030 4.117 -0.087 1
1 217 . 20 1 1 A 16 16 HIS C C 27 175.900 176.710 -0.810 1
1 218 . 20 1 1 A 16 16 HIS CA C 27 59.000 59.822 -0.822 1
1 219 . 20 1 1 A 16 16 HIS CB C 27 30.900 30.424 0.476 1
1 222 . 20 1 1 A 16 16 HIS N N 27 113.200 117.762 -4.562 1
1 223 . 20 1 1 A 17 17 ASN H H 28 6.950 7.165 -0.215 1
1 224 . 20 1 1 A 17 17 ASN HA H 28 4.900 4.420 0.480 1
1 229 . 20 1 1 A 17 17 ASN C C 28 172.900 174.431 -1.531 1
1 230 . 20 1 1 A 17 17 ASN CA C 28 54.100 53.427 0.673 1
1 231 . 20 1 1 A 17 17 ASN CB C 28 42.500 38.319 4.181 1
1 233 . 20 1 1 A 17 17 ASN N N 28 112.200 113.738 -1.538 1
1 235 . 20 1 1 A 18 18 ILE H H 29 7.310 7.481 -0.171 1
1 236 . 20 1 1 A 18 18 ILE HA H 29 4.560 4.390 0.170 1
1 246 . 20 1 1 A 18 18 ILE CA C 29 58.000 57.919 0.081 1
1 247 . 20 1 1 A 18 18 ILE CB C 29 38.000 39.431 -1.431 1
1 251 . 20 1 1 A 18 18 ILE N N 29 119.300 118.201 1.099 1
1 252 . 20 1 1 A 19 19 PRO HA H 30 4.170 4.438 -0.268 1
1 259 . 20 1 1 A 19 19 PRO C C 30 178.000 177.279 0.721 1
1 260 . 20 1 1 A 19 19 PRO CA C 30 65.700 64.405 1.295 1
1 261 . 20 1 1 A 19 19 PRO CB C 30 32.100 31.768 0.332 1
1 264 . 20 1 1 A 20 20 ASP H H 31 8.470 8.254 0.216 1
1 265 . 20 1 1 A 20 20 ASP HA H 31 4.790 4.720 0.070 1
1 268 . 20 1 1 A 20 20 ASP C C 31 175.600 175.909 -0.309 1
1 269 . 20 1 1 A 20 20 ASP CA C 31 53.800 53.996 -0.196 1
1 270 . 20 1 1 A 20 20 ASP CB C 31 39.600 41.205 -1.605 1
1 271 . 20 1 1 A 20 20 ASP N N 31 113.700 117.367 -3.667 1
1 272 . 20 1 1 A 21 21 PHE H H 32 7.890 7.383 0.507 1
1 273 . 20 1 1 A 21 21 PHE HA H 32 3.810 4.327 -0.517 1
1 281 . 20 1 1 A 21 21 PHE C C 32 174.200 175.076 -0.876 1
1 282 . 20 1 1 A 21 21 PHE CA C 32 61.100 59.782 1.318 1
1 283 . 20 1 1 A 21 21 PHE CB C 32 39.900 39.715 0.185 1
1 289 . 20 1 1 A 21 21 PHE N N 32 122.200 123.471 -1.271 1
1 290 . 20 1 1 A 22 22 ASN H H 33 9.380 8.520 0.860 1
1 291 . 20 1 1 A 22 22 ASN HA H 33 4.680 4.891 -0.211 1
1 296 . 20 1 1 A 22 22 ASN C C 33 173.600 173.946 -0.346 1
1 297 . 20 1 1 A 22 22 ASN CA C 33 54.600 54.655 -0.055 1
1 298 . 20 1 1 A 22 22 ASN CB C 33 41.700 41.267 0.433 1
1 300 . 20 1 1 A 22 22 ASN N N 33 126.600 125.806 0.794 1
1 302 . 20 1 1 A 23 23 THR H H 34 7.010 7.205 -0.195 1
1 303 . 20 1 1 A 23 23 THR HA H 34 4.280 4.598 -0.318 1
1 308 . 20 1 1 A 23 23 THR C C 34 171.100 171.507 -0.407 1
1 309 . 20 1 1 A 23 23 THR CA C 34 60.300 60.293 0.007 1
1 310 . 20 1 1 A 23 23 THR CB C 34 71.100 71.093 0.007 1
1 312 . 20 1 1 A 23 23 THR N N 34 109.600 111.288 -1.688 1
1 313 . 20 1 1 A 24 24 VAL H H 35 8.290 8.768 -0.478 1
1 314 . 20 1 1 A 24 24 VAL HA H 35 4.850 4.735 0.115 1
1 322 . 20 1 1 A 24 24 VAL C C 35 171.400 173.539 -2.139 1
1 323 . 20 1 1 A 24 24 VAL CA C 35 59.300 60.187 -0.887 1
1 324 . 20 1 1 A 24 24 VAL CB C 35 35.500 35.696 -0.196 1
1 327 . 20 1 1 A 24 24 VAL N N 35 119.500 123.215 -3.715 1
1 328 . 20 1 1 A 25 25 THR H H 36 8.200 8.399 -0.199 1
1 329 . 20 1 1 A 25 25 THR HA H 36 4.150 4.827 -0.677 1
1 334 . 20 1 1 A 25 25 THR C C 36 171.900 173.322 -1.422 1
1 335 . 20 1 1 A 25 25 THR CA C 36 61.100 60.634 0.466 1
1 336 . 20 1 1 A 25 25 THR CB C 36 70.900 70.788 0.112 1
1 338 . 20 1 1 A 25 25 THR N N 36 125.200 122.907 2.293 1
1 339 . 20 1 1 A 26 26 PHE H H 37 8.900 9.001 -0.101 1
1 340 . 20 1 1 A 26 26 PHE HA H 37 5.140 5.006 0.134 1
1 348 . 20 1 1 A 26 26 PHE C C 37 176.900 175.842 1.058 1
1 349 . 20 1 1 A 26 26 PHE CA C 37 58.100 56.956 1.144 1
1 350 . 20 1 1 A 26 26 PHE CB C 37 39.900 40.486 -0.586 1
1 356 . 20 1 1 A 26 26 PHE N N 37 124.500 125.557 -1.057 1
1 357 . 20 1 1 A 27 27 THR H H 38 9.090 9.115 -0.025 1
1 358 . 20 1 1 A 27 27 THR HA H 38 4.430 4.564 -0.134 1
1 363 . 20 1 1 A 27 27 THR C C 38 174.800 174.357 0.443 1
1 364 . 20 1 1 A 27 27 THR CA C 38 61.600 62.364 -0.764 1
1 365 . 20 1 1 A 27 27 THR CB C 38 69.400 70.605 -1.205 1
1 367 . 20 1 1 A 27 27 THR N N 38 114.000 114.668 -0.668 1
1 368 . 20 1 1 A 28 28 ASN H H 39 7.880 7.929 -0.049 1
1 369 . 20 1 1 A 28 28 ASN HA H 39 4.780 4.896 -0.116 1
1 374 . 20 1 1 A 28 28 ASN C C 39 173.700 173.664 0.036 1
1 375 . 20 1 1 A 28 28 ASN CA C 39 54.100 55.343 -1.243 1
1 376 . 20 1 1 A 28 28 ASN CB C 39 40.800 37.584 3.216 1
1 378 . 20 1 1 A 28 28 ASN N N 39 118.900 116.892 2.008 1
1 380 . 20 1 1 A 29 29 GLU H H 40 8.150 8.855 -0.705 1
1 381 . 20 1 1 A 29 29 GLU HA H 40 4.560 4.990 -0.430 1
1 386 . 20 1 1 A 29 29 GLU C C 40 174.800 176.032 -1.232 1
1 387 . 20 1 1 A 29 29 GLU CA C 40 55.600 54.447 1.153 1
1 388 . 20 1 1 A 29 29 GLU CB C 40 30.500 33.956 -3.456 1
1 390 . 20 1 1 A 29 29 GLU N N 40 121.700 121.546 0.154 1
1 391 . 20 1 1 A 30 30 GLU H H 41 8.410 8.445 -0.035 1
1 392 . 20 1 1 A 30 30 GLU HA H 41 4.410 4.520 -0.110 1
1 397 . 20 1 1 A 30 30 GLU C C 41 175.100 175.659 -0.559 1
1 398 . 20 1 1 A 30 30 GLU CA C 41 55.400 56.483 -1.083 1
1 399 . 20 1 1 A 30 30 GLU CB C 41 32.200 31.159 1.041 1
1 401 . 20 1 1 A 30 30 GLU N N 41 120.500 119.999 0.501 1
1 402 . 20 1 1 A 31 31 PHE H H 42 8.570 8.322 0.248 1
1 403 . 20 1 1 A 31 31 PHE HA H 42 4.820 5.415 -0.595 1
1 411 . 20 1 1 A 31 31 PHE C C 42 174.800 175.061 -0.261 1
1 412 . 20 1 1 A 31 31 PHE CA C 42 57.800 55.363 2.437 1
1 413 . 20 1 1 A 31 31 PHE CB C 42 40.200 41.150 -0.950 1
1 419 . 20 1 1 A 31 31 PHE N N 42 120.700 117.656 3.044 1
1 420 . 20 1 1 A 32 32 ASN H H 43 8.350 9.166 -0.816 1
1 421 . 20 1 1 A 32 32 ASN HA H 43 4.950 4.996 -0.046 1
1 426 . 20 1 1 A 32 32 ASN CA C 43 51.600 51.514 0.086 1
1 427 . 20 1 1 A 32 32 ASN CB C 43 39.300 38.144 1.156 1
1 429 . 20 1 1 A 32 32 ASN N N 43 122.000 120.492 1.508 1
1 431 . 20 1 1 A 33 33 PRO HA H 44 4.260 4.424 -0.164 1
1 438 . 20 1 1 A 33 33 PRO C C 44 177.400 177.777 -0.377 1
1 439 . 20 1 1 A 33 33 PRO CA C 44 65.300 65.752 -0.452 1
1 440 . 20 1 1 A 33 33 PRO CB C 44 32.200 31.872 0.328 1
1 443 . 20 1 1 A 34 34 ILE H H 45 7.840 7.948 -0.108 1
1 444 . 20 1 1 A 34 34 ILE HA H 45 4.240 3.970 0.270 1
1 454 . 20 1 1 A 34 34 ILE C C 45 176.400 175.958 0.442 1
1 455 . 20 1 1 A 34 34 ILE CA C 45 61.000 63.334 -2.334 1
1 456 . 20 1 1 A 34 34 ILE CB C 45 38.600 38.714 -0.114 1
1 460 . 20 1 1 A 34 34 ILE N N 45 113.700 116.660 -2.960 1
1 461 . 20 1 1 A 35 35 GLY H H 46 7.860 7.354 0.506 1
1 462 . 20 1 1 A 35 35 GLY HA2 H 46 3.870 4.118 -0.248 1
1 463 . 20 1 1 A 35 35 GLY HA3 H 46 4.130 4.136 -0.006 1
1 464 . 20 1 1 A 35 35 GLY C C 46 172.700 172.131 0.569 1
1 465 . 20 1 1 A 35 35 GLY CA C 46 45.900 46.185 -0.285 1
1 466 . 20 1 1 A 35 35 GLY N N 46 111.900 108.989 2.911 1
1 467 . 20 1 1 A 36 36 ILE H H 47 8.180 8.567 -0.387 1
1 468 . 20 1 1 A 36 36 ILE HA H 47 4.720 5.100 -0.380 1
1 478 . 20 1 1 A 36 36 ILE C C 47 174.900 173.863 1.037 1
1 479 . 20 1 1 A 36 36 ILE CA C 47 60.500 58.822 1.678 1
1 480 . 20 1 1 A 36 36 ILE CB C 47 40.800 41.291 -0.491 1
1 484 . 20 1 1 A 36 36 ILE N N 47 118.300 121.872 -3.572 1
1 485 . 20 1 1 A 37 37 SER H H 48 8.430 8.642 -0.212 1
1 486 . 20 1 1 A 37 37 SER HA H 48 4.990 5.077 -0.087 1
1 489 . 20 1 1 A 37 37 SER C C 48 172.900 173.580 -0.680 1
1 490 . 20 1 1 A 37 37 SER CA C 48 57.800 56.747 1.053 1
1 491 . 20 1 1 A 37 37 SER CB C 48 65.600 64.118 1.482 1
1 492 . 20 1 1 A 37 37 SER N N 48 116.700 118.588 -1.888 1
1 493 . 20 1 1 A 38 38 ILE H H 49 9.150 9.277 -0.127 1
1 494 . 20 1 1 A 38 38 ILE HA H 49 4.720 4.990 -0.270 1
1 504 . 20 1 1 A 38 38 ILE C C 49 173.900 174.119 -0.219 1
1 505 . 20 1 1 A 38 38 ILE CA C 49 60.600 60.114 0.486 1
1 506 . 20 1 1 A 38 38 ILE CB C 49 41.000 40.683 0.317 1
1 510 . 20 1 1 A 38 38 ILE N N 49 124.300 128.680 -4.380 1
1 511 . 20 1 1 A 39 39 ASP H H 50 8.700 9.197 -0.497 1
1 512 . 20 1 1 A 39 39 ASP HA H 50 5.540 5.744 -0.204 1
1 515 . 20 1 1 A 39 39 ASP C C 50 176.200 174.730 1.470 1
1 516 . 20 1 1 A 39 39 ASP CA C 50 52.300 52.354 -0.054 1
1 517 . 20 1 1 A 39 39 ASP CB C 50 44.300 45.038 -0.738 1
1 518 . 20 1 1 A 39 39 ASP N N 50 126.600 127.405 -0.805 1
1 519 . 20 1 1 A 40 40 GLY H H 51 7.100 7.304 -0.204 1
1 520 . 20 1 1 A 40 40 GLY HA2 H 51 3.780 3.671 0.109 1
1 521 . 20 1 1 A 40 40 GLY HA3 H 51 4.070 3.951 0.119 1
1 522 . 20 1 1 A 40 40 GLY C C 51 170.100 171.179 -1.079 1
1 523 . 20 1 1 A 40 40 GLY CA C 51 47.200 45.626 1.574 1
1 524 . 20 1 1 A 40 40 GLY N N 51 106.400 109.179 -2.779 1
1 525 . 20 1 1 A 41 41 TYR H H 52 8.390 8.084 0.306 1
1 526 . 20 1 1 A 41 41 TYR HA H 52 5.530 5.943 -0.413 1
1 533 . 20 1 1 A 41 41 TYR C C 52 175.200 173.150 2.050 1
1 534 . 20 1 1 A 41 41 TYR CA C 52 56.000 55.969 0.031 1
1 535 . 20 1 1 A 41 41 TYR CB C 52 39.200 42.047 -2.847 1
1 540 . 20 1 1 A 41 41 TYR N N 52 113.900 114.170 -0.270 1
1 541 . 20 1 1 A 42 42 ILE H H 53 8.420 8.375 0.045 1
1 542 . 20 1 1 A 42 42 ILE HA H 53 5.450 4.776 0.674 1
1 552 . 20 1 1 A 42 42 ILE C C 53 174.500 175.086 -0.586 1
1 553 . 20 1 1 A 42 42 ILE CA C 53 59.300 59.327 -0.027 1
1 554 . 20 1 1 A 42 42 ILE CB C 53 40.700 40.822 -0.122 1
1 558 . 20 1 1 A 42 42 ILE N N 53 113.200 116.945 -3.745 1
1 559 . 20 1 1 A 43 43 ASN H H 54 8.760 9.046 -0.286 1
1 560 . 20 1 1 A 43 43 ASN HA H 54 4.120 4.370 -0.250 1
1 565 . 20 1 1 A 43 43 ASN C C 54 173.900 174.512 -0.612 1
1 566 . 20 1 1 A 43 43 ASN CA C 54 53.300 54.564 -1.264 1
1 567 . 20 1 1 A 43 43 ASN CB C 54 35.500 36.973 -1.473 1
1 569 . 20 1 1 A 43 43 ASN N N 54 116.700 118.882 -2.182 1
1 571 . 20 1 1 A 44 44 ASN H H 55 9.270 8.604 0.666 1
1 572 . 20 1 1 A 44 44 ASN HA H 55 4.260 4.447 -0.187 1
1 577 . 20 1 1 A 44 44 ASN C C 55 173.600 173.558 0.042 1
1 578 . 20 1 1 A 44 44 ASN CA C 55 54.800 54.793 0.007 1
1 579 . 20 1 1 A 44 44 ASN CB C 55 38.100 37.312 0.788 1
1 581 . 20 1 1 A 44 44 ASN N N 55 110.300 108.703 1.597 1
1 583 . 20 1 1 A 45 45 ASP H H 56 8.100 8.154 -0.054 1
1 584 . 20 1 1 A 45 45 ASP HA H 56 4.760 4.825 -0.065 1
1 587 . 20 1 1 A 45 45 ASP C C 56 175.900 176.204 -0.304 1
1 588 . 20 1 1 A 45 45 ASP CA C 56 52.600 53.079 -0.479 1
1 589 . 20 1 1 A 45 45 ASP CB C 56 42.000 41.769 0.231 1
1 590 . 20 1 1 A 45 45 ASP N N 56 119.500 118.494 1.006 1
1 591 . 20 1 1 A 46 46 LYS H H 57 8.260 8.673 -0.413 1
1 592 . 20 1 1 A 46 46 LYS HA H 57 2.760 3.704 -0.944 1
1 601 . 20 1 1 A 46 46 LYS C C 57 177.100 178.466 -1.366 1
1 602 . 20 1 1 A 46 46 LYS CA C 57 58.400 59.396 -0.996 1
1 603 . 20 1 1 A 46 46 LYS CB C 57 31.700 31.972 -0.272 1
1 607 . 20 1 1 A 46 46 LYS N N 57 124.100 125.707 -1.607 1
1 608 . 20 1 1 A 47 47 ASN H H 58 8.610 8.061 0.549 1
1 609 . 20 1 1 A 47 47 ASN HA H 58 4.620 4.560 0.060 1
1 614 . 20 1 1 A 47 47 ASN C C 58 177.000 176.823 0.177 1
1 615 . 20 1 1 A 47 47 ASN CA C 58 54.400 56.282 -1.882 1
1 616 . 20 1 1 A 47 47 ASN CB C 58 38.500 38.480 0.020 1
1 618 . 20 1 1 A 47 47 ASN N N 58 114.800 117.394 -2.594 1
1 620 . 20 1 1 A 48 48 LEU H H 59 8.470 7.561 0.909 1
1 621 . 20 1 1 A 48 48 LEU HA H 59 4.470 4.537 -0.067 1
1 631 . 20 1 1 A 48 48 LEU C C 59 175.300 175.646 -0.346 1
1 632 . 20 1 1 A 48 48 LEU CA C 59 52.800 54.337 -1.537 1
1 633 . 20 1 1 A 48 48 LEU CB C 59 39.100 40.034 -0.934 1
1 637 . 20 1 1 A 48 48 LEU N N 59 125.800 119.951 5.849 1
1 638 . 20 1 1 A 49 49 SER H H 60 7.270 8.508 -1.238 1
1 639 . 20 1 1 A 49 49 SER HA H 60 5.230 5.780 -0.550 1
1 642 . 20 1 1 A 49 49 SER C C 60 173.200 173.592 -0.392 1
1 643 . 20 1 1 A 49 49 SER CA C 60 56.900 57.217 -0.317 1
1 644 . 20 1 1 A 49 49 SER CB C 60 66.500 65.871 0.629 1
1 645 . 20 1 1 A 49 49 SER N N 60 112.400 121.281 -8.881 1
1 646 . 20 1 1 A 50 50 PHE H H 61 8.260 8.522 -0.262 1
1 647 . 20 1 1 A 50 50 PHE HA H 61 5.490 5.661 -0.171 1
1 655 . 20 1 1 A 50 50 PHE C C 61 174.500 173.109 1.391 1
1 656 . 20 1 1 A 50 50 PHE CA C 61 56.300 56.108 0.192 1
1 657 . 20 1 1 A 50 50 PHE CB C 61 44.600 42.755 1.845 1
1 663 . 20 1 1 A 50 50 PHE N N 61 114.200 119.427 -5.227 1
1 664 . 20 1 1 A 51 51 THR H H 62 8.520 9.097 -0.577 1
1 665 . 20 1 1 A 51 51 THR HA H 62 5.140 5.565 -0.425 1
1 670 . 20 1 1 A 51 51 THR C C 62 172.600 173.941 -1.341 1
1 671 . 20 1 1 A 51 51 THR CA C 62 62.000 61.260 0.740 1
1 672 . 20 1 1 A 51 51 THR CB C 62 72.000 71.617 0.383 1
1 674 . 20 1 1 A 51 51 THR N N 62 116.000 115.711 0.289 1
1 675 . 20 1 1 A 52 52 ALA H H 63 9.870 9.292 0.578 1
1 676 . 20 1 1 A 52 52 ALA HA H 63 5.180 5.396 -0.216 1
1 680 . 20 1 1 A 52 52 ALA C C 63 176.300 175.856 0.444 1
1 681 . 20 1 1 A 52 52 ALA CA C 63 50.300 50.625 -0.325 1
1 682 . 20 1 1 A 52 52 ALA CB C 63 24.000 22.955 1.045 1
1 683 . 20 1 1 A 52 52 ALA N N 63 130.400 128.273 2.127 1
1 684 . 20 1 1 A 53 53 GLY H H 64 8.340 8.656 -0.316 1
1 685 . 20 1 1 A 53 53 GLY HA2 H 64 3.630 4.166 -0.536 1
1 686 . 20 1 1 A 53 53 GLY HA3 H 64 4.830 4.174 0.656 1
1 687 . 20 1 1 A 53 53 GLY C C 64 173.200 174.709 -1.509 1
1 688 . 20 1 1 A 53 53 GLY CA C 64 43.200 45.317 -2.117 1
1 689 . 20 1 1 A 53 53 GLY N N 64 107.100 109.596 -2.496 1
1 690 . 20 1 1 A 54 54 LYS H H 65 8.430 8.886 -0.456 1
1 691 . 20 1 1 A 54 54 LYS HA H 65 3.750 4.109 -0.359 1
1 700 . 20 1 1 A 54 54 LYS CA C 65 58.300 59.712 -1.412 1
1 701 . 20 1 1 A 54 54 LYS CB C 65 32.600 32.162 0.438 1
1 705 . 20 1 1 A 54 54 LYS N N 65 119.300 123.332 -4.032 1
1 708 . 20 1 1 A 55 55 ASP C C 66 172.900 176.849 -3.949 1
1 709 . 20 1 1 A 56 56 VAL H H 67 8.510 8.545 -0.035 1
1 710 . 20 1 1 A 56 56 VAL HA H 67 3.100 3.966 -0.866 1
1 718 . 20 1 1 A 56 56 VAL C C 67 176.400 177.747 -1.347 1
1 719 . 20 1 1 A 56 56 VAL CA C 67 62.800 65.058 -2.258 1
1 720 . 20 1 1 A 56 56 VAL CB C 67 30.400 31.072 -0.672 1
1 723 . 20 1 1 A 56 56 VAL N N 67 112.700 122.551 -9.851 1
1 724 . 20 1 1 A 57 57 LYS H H 68 7.580 7.811 -0.231 1
1 725 . 20 1 1 A 57 57 LYS HA H 68 4.000 4.055 -0.055 1
1 734 . 20 1 1 A 57 57 LYS C C 68 176.700 176.130 0.570 1
1 735 . 20 1 1 A 57 57 LYS CA C 68 58.400 59.189 -0.789 1
1 736 . 20 1 1 A 57 57 LYS CB C 68 32.100 32.654 -0.554 1
1 740 . 20 1 1 A 57 57 LYS N N 68 118.700 122.525 -3.825 1
1 741 . 20 1 1 A 58 58 ILE H H 69 7.160 7.824 -0.664 1
1 742 . 20 1 1 A 58 58 ILE HA H 69 4.270 4.465 -0.195 1
1 752 . 20 1 1 A 58 58 ILE C C 69 174.300 175.367 -1.067 1
1 753 . 20 1 1 A 58 58 ILE CA C 69 59.900 60.458 -0.558 1
1 754 . 20 1 1 A 58 58 ILE CB C 69 41.000 39.340 1.660 1
1 758 . 20 1 1 A 58 58 ILE N N 69 115.700 118.879 -3.179 1
1 759 . 20 1 1 A 59 59 PHE H H 70 8.560 8.586 -0.026 1
1 760 . 20 1 1 A 59 59 PHE HA H 70 4.890 5.629 -0.739 1
1 765 . 20 1 1 A 59 59 PHE C C 70 173.500 172.376 1.124 1
1 766 . 20 1 1 A 59 59 PHE CA C 70 58.700 55.628 3.072 1
1 767 . 20 1 1 A 59 59 PHE CB C 70 42.400 42.867 -0.467 1
1 770 . 20 1 1 A 59 59 PHE N N 70 127.500 124.135 3.365 1
1 771 . 20 1 1 A 60 60 SER H H 71 8.430 9.630 -1.200 1
1 772 . 20 1 1 A 60 60 SER HA H 71 4.850 5.499 -0.649 1
1 775 . 20 1 1 A 60 60 SER C C 71 172.100 172.454 -0.354 1
1 776 . 20 1 1 A 60 60 SER CA C 71 56.900 56.642 0.258 1
1 777 . 20 1 1 A 60 60 SER CB C 71 65.000 66.501 -1.501 1
1 778 . 20 1 1 A 60 60 SER N N 71 124.200 115.892 8.308 1
1 779 . 20 1 1 A 61 61 SER H H 72 8.630 8.860 -0.230 1
1 780 . 20 1 1 A 61 61 SER HA H 72 5.380 5.160 0.220 1
1 783 . 20 1 1 A 61 61 SER C C 72 174.700 173.284 1.416 1
1 784 . 20 1 1 A 61 61 SER CA C 72 57.400 57.123 0.277 1
1 785 . 20 1 1 A 61 61 SER CB C 72 68.200 66.362 1.838 1
1 786 . 20 1 1 A 61 61 SER N N 72 116.900 117.704 -0.804 1
1 787 . 20 1 1 A 62 62 SER H H 73 8.810 8.293 0.517 1
1 788 . 20 1 1 A 62 62 SER HA H 73 4.570 4.755 -0.185 1
1 792 . 20 1 1 A 62 62 SER C C 73 175.000 176.119 -1.119 1
1 793 . 20 1 1 A 62 62 SER CA C 73 57.600 57.236 0.364 1
1 794 . 20 1 1 A 62 62 SER CB C 73 65.400 65.347 0.053 1
1 795 . 20 1 1 A 62 62 SER N N 73 117.000 116.196 0.804 1
1 796 . 20 1 1 A 63 63 GLU H H 74 9.240 9.017 0.223 1
1 797 . 20 1 1 A 63 63 GLU HA H 74 4.140 4.018 0.122 1
1 802 . 20 1 1 A 63 63 GLU C C 74 179.000 178.547 0.453 1
1 803 . 20 1 1 A 63 63 GLU CA C 74 60.100 59.948 0.152 1
1 804 . 20 1 1 A 63 63 GLU CB C 74 29.600 29.262 0.338 1
1 806 . 20 1 1 A 63 63 GLU N N 74 123.600 120.651 2.949 1
1 807 . 20 1 1 A 64 64 GLU H H 75 8.970 8.200 0.770 1
1 808 . 20 1 1 A 64 64 GLU HA H 75 3.950 4.093 -0.143 1
1 813 . 20 1 1 A 64 64 GLU C C 75 179.000 179.176 -0.176 1
1 814 . 20 1 1 A 64 64 GLU CA C 75 60.100 59.000 1.100 1
1 815 . 20 1 1 A 64 64 GLU CB C 75 29.500 29.515 -0.015 1
1 817 . 20 1 1 A 64 64 GLU N N 75 117.000 120.970 -3.970 1
1 818 . 20 1 1 A 65 65 LEU H H 76 7.740 7.728 0.012 1
1 819 . 20 1 1 A 65 65 LEU HA H 76 4.330 4.227 0.103 1
1 829 . 20 1 1 A 65 65 LEU C C 76 178.900 178.206 0.694 1
1 830 . 20 1 1 A 65 65 LEU CA C 76 57.500 57.094 0.406 1
1 831 . 20 1 1 A 65 65 LEU CB C 76 41.800 41.858 -0.058 1
1 835 . 20 1 1 A 65 65 LEU N N 76 119.900 121.199 -1.299 1
1 836 . 20 1 1 A 66 66 ASP H H 77 8.620 8.438 0.182 1
1 837 . 20 1 1 A 66 66 ASP HA H 77 4.580 4.111 0.469 1
1 840 . 20 1 1 A 66 66 ASP C C 77 178.800 178.479 0.321 1
1 841 . 20 1 1 A 66 66 ASP CA C 77 58.300 57.939 0.361 1
1 842 . 20 1 1 A 66 66 ASP CB C 77 42.100 41.350 0.750 1
1 843 . 20 1 1 A 66 66 ASP N N 77 120.300 119.410 0.890 1
1 844 . 20 1 1 A 67 67 LYS H H 78 7.210 8.035 -0.825 1
1 845 . 20 1 1 A 67 67 LYS HA H 78 4.240 4.119 0.121 1
1 854 . 20 1 1 A 67 67 LYS C C 78 177.400 178.584 -1.184 1
1 855 . 20 1 1 A 67 67 LYS CA C 78 58.000 58.921 -0.921 1
1 856 . 20 1 1 A 67 67 LYS CB C 78 33.000 31.677 1.323 1
1 860 . 20 1 1 A 67 67 LYS N N 78 113.200 118.009 -4.809 1
1 861 . 20 1 1 A 68 68 MET H H 79 8.210 8.256 -0.046 1
1 862 . 20 1 1 A 68 68 MET HA H 79 4.270 4.321 -0.051 1
1 870 . 20 1 1 A 68 68 MET C C 79 176.800 177.139 -0.339 1
1 871 . 20 1 1 A 68 68 MET CA C 79 56.800 58.508 -1.708 1
1 872 . 20 1 1 A 68 68 MET CB C 79 33.900 32.526 1.374 1
1 875 . 20 1 1 A 68 68 MET N N 79 116.400 117.840 -1.440 1
1 876 . 20 1 1 A 69 69 PHE H H 80 7.330 7.660 -0.330 1
1 877 . 20 1 1 A 69 69 PHE HA H 80 4.300 4.724 -0.424 1
1 882 . 20 1 1 A 69 69 PHE C C 80 176.900 175.992 0.908 1
1 883 . 20 1 1 A 69 69 PHE CA C 80 59.300 59.049 0.251 1
1 884 . 20 1 1 A 69 69 PHE CB C 80 40.600 39.193 1.407 1
1 887 . 20 1 1 A 69 69 PHE N N 80 118.100 119.159 -1.059 1
1 888 . 20 1 1 A 70 70 GLN H H 81 8.540 8.484 0.056 1
1 889 . 20 1 1 A 70 70 GLN HA H 81 4.450 4.361 0.089 1
1 896 . 20 1 1 A 70 70 GLN C C 81 174.200 175.246 -1.046 1
1 897 . 20 1 1 A 70 70 GLN CA C 81 55.000 57.542 -2.542 1
1 898 . 20 1 1 A 70 70 GLN CB C 81 29.400 29.202 0.198 1
1 901 . 20 1 1 A 70 70 GLN N N 81 121.600 124.215 -2.615 1
1 903 . 20 1 1 A 71 71 GLU H H 82 8.340 8.171 0.169 1
1 904 . 20 1 1 A 71 71 GLU HA H 82 4.780 4.636 0.144 1
1 909 . 20 1 1 A 71 71 GLU CA C 82 53.100 53.894 -0.794 1
1 910 . 20 1 1 A 71 71 GLU CB C 82 30.600 29.881 0.719 1
1 912 . 20 1 1 A 71 71 GLU N N 82 122.900 117.239 5.661 1
1 913 . 20 1 1 A 72 72 PRO HA H 83 4.880 4.588 0.292 1
1 920 . 20 1 1 A 72 72 PRO C C 83 176.200 176.765 -0.565 1
1 921 . 20 1 1 A 72 72 PRO CA C 83 62.100 62.659 -0.559 1
1 922 . 20 1 1 A 72 72 PRO CB C 83 33.800 32.852 0.948 1
1 925 . 20 1 1 A 73 73 ARG H H 84 8.580 8.619 -0.039 1
1 926 . 20 1 1 A 73 73 ARG HA H 84 4.390 4.697 -0.307 1
1 934 . 20 1 1 A 73 73 ARG C C 84 176.000 175.995 0.005 1
1 935 . 20 1 1 A 73 73 ARG CA C 84 56.000 56.997 -0.997 1
1 936 . 20 1 1 A 73 73 ARG CB C 84 31.100 30.803 0.297 1
1 940 . 20 1 1 A 73 73 ARG N N 84 123.400 122.843 0.557 1
1 942 . 20 1 1 A 74 74 LYS H H 85 9.080 9.453 -0.373 1
1 943 . 20 1 1 A 74 74 LYS HA H 85 4.540 4.436 0.104 1
1 952 . 20 1 1 A 74 74 LYS C C 85 176.500 176.844 -0.344 1
1 953 . 20 1 1 A 74 74 LYS CA C 85 55.000 58.044 -3.044 1
1 954 . 20 1 1 A 74 74 LYS CB C 85 34.900 33.164 1.736 1
1 958 . 20 1 1 A 74 74 LYS N N 85 123.300 124.336 -1.036 1
1 959 . 20 1 1 A 75 75 GLY H H 86 8.870 7.700 1.170 1
1 960 . 20 1 1 A 75 75 GLY HA2 H 86 3.930 4.217 -0.287 1
1 961 . 20 1 1 A 75 75 GLY HA3 H 86 4.350 4.229 0.121 1
1 962 . 20 1 1 A 75 75 GLY C C 86 174.000 174.582 -0.582 1
1 963 . 20 1 1 A 75 75 GLY CA C 86 44.600 45.545 -0.945 1
1 964 . 20 1 1 A 75 75 GLY N N 86 108.700 104.320 4.380 1
1 965 . 20 1 1 A 76 76 TYR H H 87 8.880 8.786 0.094 1
1 966 . 20 1 1 A 76 76 TYR HA H 87 3.930 4.103 -0.173 1
1 973 . 20 1 1 A 76 76 TYR C C 87 175.800 177.335 -1.535 1
1 974 . 20 1 1 A 76 76 TYR CA C 87 62.900 61.944 0.956 1
1 975 . 20 1 1 A 76 76 TYR CB C 87 38.700 39.172 -0.472 1
1 980 . 20 1 1 A 76 76 TYR N N 87 120.400 121.525 -1.125 1
1 981 . 20 1 1 A 77 77 ASP H H 88 8.450 8.301 0.149 1
1 982 . 20 1 1 A 77 77 ASP HA H 88 4.000 4.226 -0.226 1
1 985 . 20 1 1 A 77 77 ASP C C 88 178.200 178.927 -0.727 1
1 986 . 20 1 1 A 77 77 ASP CA C 88 57.000 56.783 0.217 1
1 987 . 20 1 1 A 77 77 ASP CB C 88 39.600 40.044 -0.444 1
1 988 . 20 1 1 A 77 77 ASP N N 88 115.800 119.758 -3.958 1
1 989 . 20 1 1 A 78 78 GLU H H 89 7.520 8.044 -0.524 1
1 990 . 20 1 1 A 78 78 GLU HA H 89 4.020 4.149 -0.129 1
1 995 . 20 1 1 A 78 78 GLU C C 89 178.500 178.811 -0.311 1
1 996 . 20 1 1 A 78 78 GLU CA C 89 58.500 58.925 -0.425 1
1 997 . 20 1 1 A 78 78 GLU CB C 89 30.100 29.613 0.487 1
1 999 . 20 1 1 A 78 78 GLU N N 89 119.600 119.503 0.097 1
1 1000 . 20 1 1 A 79 79 ILE H H 90 7.850 7.737 0.113 1
1 1001 . 20 1 1 A 79 79 ILE HA H 90 3.300 3.743 -0.443 1
1 1011 . 20 1 1 A 79 79 ILE C C 90 177.700 178.042 -0.342 1
1 1012 . 20 1 1 A 79 79 ILE CA C 90 64.600 64.419 0.181 1
1 1013 . 20 1 1 A 79 79 ILE CB C 90 37.700 37.258 0.442 1
1 1017 . 20 1 1 A 79 79 ILE N N 90 121.700 119.777 1.923 1
1 1018 . 20 1 1 A 80 80 LEU H H 91 7.710 7.793 -0.083 1
1 1019 . 20 1 1 A 80 80 LEU HA H 91 3.780 3.708 0.072 1
1 1029 . 20 1 1 A 80 80 LEU C C 91 178.600 179.171 -0.571 1
1 1030 . 20 1 1 A 80 80 LEU CA C 91 56.900 57.947 -1.047 1
1 1031 . 20 1 1 A 80 80 LEU CB C 91 41.600 40.978 0.622 1
1 1035 . 20 1 1 A 80 80 LEU N N 91 120.500 121.202 -0.702 1
1 1036 . 20 1 1 A 81 81 GLU H H 92 7.620 7.634 -0.014 1
1 1037 . 20 1 1 A 81 81 GLU HA H 92 3.960 4.196 -0.236 1
1 1042 . 20 1 1 A 81 81 GLU C C 92 177.400 177.141 0.259 1
1 1043 . 20 1 1 A 81 81 GLU CA C 92 58.300 59.669 -1.369 1
1 1044 . 20 1 1 A 81 81 GLU CB C 92 29.700 29.523 0.177 1
1 1046 . 20 1 1 A 81 81 GLU N N 92 118.100 117.274 0.826 1
1 1047 . 20 1 1 A 82 82 HIS H H 93 7.840 7.494 0.346 1
1 1048 . 20 1 1 A 82 82 HIS HA H 93 4.440 4.583 -0.143 1
1 1051 . 20 1 1 A 82 82 HIS C C 93 175.600 173.639 1.961 1
1 1052 . 20 1 1 A 82 82 HIS CA C 93 57.000 56.401 0.599 1
1 1053 . 20 1 1 A 82 82 HIS CB C 93 29.800 30.408 -0.608 1
1 1054 . 20 1 1 A 82 82 HIS N N 93 116.900 120.756 -3.856 1
1 1055 . 20 1 1 A 83 83 HIS H H 94 8.080 8.628 -0.548 1
1 1056 . 20 1 1 A 83 83 HIS HA H 94 4.480 4.837 -0.357 1
1 1059 . 20 1 1 A 83 83 HIS CA C 94 56.700 53.453 3.247 1
1 1060 . 20 1 1 A 83 83 HIS CB C 94 29.900 32.347 -2.447 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 76 0.987 1
2 1 1 1 "RMS(OBS, PRED)" CA 81 0.932 1
3 1 1 1 "RMS(OBS, PRED)" CB 77 1.046 1
4 1 1 1 "RMS(OBS, PRED)" H 77 0.487 1
5 1 1 1 "RMS(OBS, PRED)" HA 85 0.355 1
6 1 1 1 "RMS(OBS, PRED)" N 76 2.889 1
7 1 2 1 "RMS(OBS, PRED)" C 76 1.049 1
8 1 2 1 "RMS(OBS, PRED)" CA 81 1.105 1
9 1 2 1 "RMS(OBS, PRED)" CB 77 1.023 1
10 1 2 1 "RMS(OBS, PRED)" H 77 0.584 1
11 1 2 1 "RMS(OBS, PRED)" HA 85 0.340 1
12 1 2 1 "RMS(OBS, PRED)" N 76 2.800 1
13 1 3 1 "RMS(OBS, PRED)" C 76 1.009 1
14 1 3 1 "RMS(OBS, PRED)" CA 81 0.940 1
15 1 3 1 "RMS(OBS, PRED)" CB 77 1.265 1
16 1 3 1 "RMS(OBS, PRED)" H 77 0.512 1
17 1 3 1 "RMS(OBS, PRED)" HA 85 0.329 1
18 1 3 1 "RMS(OBS, PRED)" N 76 3.037 1
19 1 4 1 "RMS(OBS, PRED)" C 76 1.084 1
20 1 4 1 "RMS(OBS, PRED)" CA 81 1.099 1
21 1 4 1 "RMS(OBS, PRED)" CB 77 1.186 1
22 1 4 1 "RMS(OBS, PRED)" H 77 0.490 1
23 1 4 1 "RMS(OBS, PRED)" HA 85 0.329 1
24 1 4 1 "RMS(OBS, PRED)" N 76 3.047 1
25 1 5 1 "RMS(OBS, PRED)" C 76 1.001 1
26 1 5 1 "RMS(OBS, PRED)" CA 81 1.013 1
27 1 5 1 "RMS(OBS, PRED)" CB 77 1.085 1
28 1 5 1 "RMS(OBS, PRED)" H 77 0.507 1
29 1 5 1 "RMS(OBS, PRED)" HA 85 0.317 1
30 1 5 1 "RMS(OBS, PRED)" N 76 3.087 1
31 1 6 1 "RMS(OBS, PRED)" C 76 1.008 1
32 1 6 1 "RMS(OBS, PRED)" CA 81 0.936 1
33 1 6 1 "RMS(OBS, PRED)" CB 77 1.122 1
34 1 6 1 "RMS(OBS, PRED)" H 77 0.486 1
35 1 6 1 "RMS(OBS, PRED)" HA 85 0.328 1
36 1 6 1 "RMS(OBS, PRED)" N 76 2.737 1
37 1 7 1 "RMS(OBS, PRED)" C 76 1.030 1
38 1 7 1 "RMS(OBS, PRED)" CA 81 1.065 1
39 1 7 1 "RMS(OBS, PRED)" CB 77 1.236 1
40 1 7 1 "RMS(OBS, PRED)" H 77 0.498 1
41 1 7 1 "RMS(OBS, PRED)" HA 85 0.354 1
42 1 7 1 "RMS(OBS, PRED)" N 76 2.814 1
43 1 8 1 "RMS(OBS, PRED)" C 76 1.172 1
44 1 8 1 "RMS(OBS, PRED)" CA 81 1.131 1
45 1 8 1 "RMS(OBS, PRED)" CB 77 1.384 1
46 1 8 1 "RMS(OBS, PRED)" H 77 0.613 1
47 1 8 1 "RMS(OBS, PRED)" HA 85 0.384 1
48 1 8 1 "RMS(OBS, PRED)" N 76 3.147 1
49 1 9 1 "RMS(OBS, PRED)" C 76 0.947 1
50 1 9 1 "RMS(OBS, PRED)" CA 81 0.928 1
51 1 9 1 "RMS(OBS, PRED)" CB 77 0.998 1
52 1 9 1 "RMS(OBS, PRED)" H 77 0.488 1
53 1 9 1 "RMS(OBS, PRED)" HA 85 0.339 1
54 1 9 1 "RMS(OBS, PRED)" N 76 2.556 1
55 1 10 1 "RMS(OBS, PRED)" C 76 0.969 1
56 1 10 1 "RMS(OBS, PRED)" CA 81 0.995 1
57 1 10 1 "RMS(OBS, PRED)" CB 77 1.070 1
58 1 10 1 "RMS(OBS, PRED)" H 77 0.463 1
59 1 10 1 "RMS(OBS, PRED)" HA 85 0.338 1
60 1 10 1 "RMS(OBS, PRED)" N 76 3.004 1
61 1 11 1 "RMS(OBS, PRED)" C 76 0.945 1
62 1 11 1 "RMS(OBS, PRED)" CA 81 0.959 1
63 1 11 1 "RMS(OBS, PRED)" CB 77 1.199 1
64 1 11 1 "RMS(OBS, PRED)" H 77 0.505 1
65 1 11 1 "RMS(OBS, PRED)" HA 85 0.316 1
66 1 11 1 "RMS(OBS, PRED)" N 76 2.984 1
67 1 12 1 "RMS(OBS, PRED)" C 76 1.024 1
68 1 12 1 "RMS(OBS, PRED)" CA 81 1.041 1
69 1 12 1 "RMS(OBS, PRED)" CB 77 1.115 1
70 1 12 1 "RMS(OBS, PRED)" H 77 0.488 1
71 1 12 1 "RMS(OBS, PRED)" HA 85 0.336 1
72 1 12 1 "RMS(OBS, PRED)" N 76 3.058 1
73 1 13 1 "RMS(OBS, PRED)" C 76 1.044 1
74 1 13 1 "RMS(OBS, PRED)" CA 81 0.971 1
75 1 13 1 "RMS(OBS, PRED)" CB 77 1.139 1
76 1 13 1 "RMS(OBS, PRED)" H 77 0.454 1
77 1 13 1 "RMS(OBS, PRED)" HA 85 0.338 1
78 1 13 1 "RMS(OBS, PRED)" N 76 3.029 1
79 1 14 1 "RMS(OBS, PRED)" C 76 1.045 1
80 1 14 1 "RMS(OBS, PRED)" CA 81 0.951 1
81 1 14 1 "RMS(OBS, PRED)" CB 77 1.178 1
82 1 14 1 "RMS(OBS, PRED)" H 77 0.426 1
83 1 14 1 "RMS(OBS, PRED)" HA 85 0.322 1
84 1 14 1 "RMS(OBS, PRED)" N 76 2.821 1
85 1 15 1 "RMS(OBS, PRED)" C 76 0.999 1
86 1 15 1 "RMS(OBS, PRED)" CA 81 1.025 1
87 1 15 1 "RMS(OBS, PRED)" CB 77 1.319 1
88 1 15 1 "RMS(OBS, PRED)" H 77 0.578 1
89 1 15 1 "RMS(OBS, PRED)" HA 85 0.328 1
90 1 15 1 "RMS(OBS, PRED)" N 76 3.304 1
91 1 16 1 "RMS(OBS, PRED)" C 76 0.942 1
92 1 16 1 "RMS(OBS, PRED)" CA 81 0.913 1
93 1 16 1 "RMS(OBS, PRED)" CB 77 1.178 1
94 1 16 1 "RMS(OBS, PRED)" H 77 0.588 1
95 1 16 1 "RMS(OBS, PRED)" HA 85 0.336 1
96 1 16 1 "RMS(OBS, PRED)" N 76 2.714 1
97 1 17 1 "RMS(OBS, PRED)" C 76 1.021 1
98 1 17 1 "RMS(OBS, PRED)" CA 81 1.078 1
99 1 17 1 "RMS(OBS, PRED)" CB 77 1.194 1
100 1 17 1 "RMS(OBS, PRED)" H 77 0.505 1
101 1 17 1 "RMS(OBS, PRED)" HA 85 0.301 1
102 1 17 1 "RMS(OBS, PRED)" N 76 3.131 1
103 1 18 1 "RMS(OBS, PRED)" C 76 1.043 1
104 1 18 1 "RMS(OBS, PRED)" CA 81 1.031 1
105 1 18 1 "RMS(OBS, PRED)" CB 77 1.126 1
106 1 18 1 "RMS(OBS, PRED)" H 77 0.462 1
107 1 18 1 "RMS(OBS, PRED)" HA 85 0.330 1
108 1 18 1 "RMS(OBS, PRED)" N 76 2.636 1
109 1 19 1 "RMS(OBS, PRED)" C 76 1.058 1
110 1 19 1 "RMS(OBS, PRED)" CA 81 0.987 1
111 1 19 1 "RMS(OBS, PRED)" CB 77 1.085 1
112 1 19 1 "RMS(OBS, PRED)" H 77 0.485 1
113 1 19 1 "RMS(OBS, PRED)" HA 85 0.347 1
114 1 19 1 "RMS(OBS, PRED)" N 76 3.125 1
115 1 20 1 "RMS(OBS, PRED)" C 76 1.058 1
116 1 20 1 "RMS(OBS, PRED)" CA 81 1.169 1
117 1 20 1 "RMS(OBS, PRED)" CB 77 1.162 1
118 1 20 1 "RMS(OBS, PRED)" H 77 0.458 1
119 1 20 1 "RMS(OBS, PRED)" HA 85 0.329 1
120 1 20 1 "RMS(OBS, PRED)" N 76 3.092 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 2 2 PHE HA H 13 4.400 4.169 0.231 2
1 9 . 1 1 A 2 2 PHE C C 13 176.400 177.579 -1.179 2
1 10 . 1 1 A 2 2 PHE CA C 13 60.700 60.937 -0.237 2
1 11 . 1 1 A 2 2 PHE CB C 13 39.700 38.614 1.086 2
1 17 . 1 1 A 3 3 PHE H H 14 9.000 8.111 0.889 2
1 18 . 1 1 A 3 3 PHE HA H 14 4.000 4.077 -0.077 2
1 25 . 1 1 A 3 3 PHE C C 14 177.400 177.966 -0.566 2
1 26 . 1 1 A 3 3 PHE CA C 14 61.400 62.164 -0.765 2
1 27 . 1 1 A 3 3 PHE CB C 14 38.400 38.423 -0.023 2
1 32 . 1 1 A 3 3 PHE N N 14 118.700 117.896 0.804 2
1 33 . 1 1 A 4 4 ASN H H 15 8.000 8.209 -0.209 2
1 34 . 1 1 A 4 4 ASN HA H 15 4.250 4.260 -0.010 2
1 39 . 1 1 A 4 4 ASN C C 15 177.300 177.940 -0.640 2
1 40 . 1 1 A 4 4 ASN CA C 15 56.400 56.677 -0.277 2
1 41 . 1 1 A 4 4 ASN CB C 15 38.000 38.519 -0.519 2
1 43 . 1 1 A 4 4 ASN N N 15 118.300 117.830 0.470 2
1 45 . 1 1 A 5 5 GLU H H 16 8.080 7.945 0.135 2
1 46 . 1 1 A 5 5 GLU HA H 16 3.970 3.990 -0.020 2
1 51 . 1 1 A 5 5 GLU C C 16 179.600 179.100 0.500 2
1 52 . 1 1 A 5 5 GLU CA C 16 59.200 59.110 0.090 2
1 53 . 1 1 A 5 5 GLU CB C 16 29.400 29.196 0.204 2
1 55 . 1 1 A 5 5 GLU N N 16 120.400 119.326 1.074 2
1 56 . 1 1 A 6 6 GLN H H 17 7.930 7.557 0.373 2
1 57 . 1 1 A 6 6 GLN HA H 17 3.560 3.846 -0.286 2
1 64 . 1 1 A 6 6 GLN CA C 17 58.600 58.607 -0.007 2
1 65 . 1 1 A 6 6 GLN CB C 17 28.100 28.085 0.015 2
1 68 . 1 1 A 6 6 GLN N N 17 117.900 119.237 -1.337 2
1 70 . 1 1 A 7 7 LYS H H 18 8.120 7.598 0.522 2
1 71 . 1 1 A 7 7 LYS HA H 18 3.350 3.808 -0.458 2
1 80 . 1 1 A 7 7 LYS C C 18 179.900 179.133 0.767 2
1 81 . 1 1 A 7 7 LYS CA C 18 60.600 59.424 1.176 2
1 82 . 1 1 A 7 7 LYS CB C 18 32.000 31.756 0.244 2
1 86 . 1 1 A 7 7 LYS N N 18 118.800 119.614 -0.814 2
1 87 . 1 1 A 8 8 GLU H H 19 7.740 7.874 -0.134 2
1 88 . 1 1 A 8 8 GLU HA H 19 4.040 4.090 -0.050 2
1 93 . 1 1 A 8 8 GLU C C 19 179.000 179.290 -0.289 2
1 94 . 1 1 A 8 8 GLU CA C 19 59.800 59.219 0.581 2
1 95 . 1 1 A 8 8 GLU CB C 19 29.100 29.279 -0.179 2
1 97 . 1 1 A 8 8 GLU N N 19 121.300 119.778 1.522 2
1 98 . 1 1 A 9 9 LYS H H 20 7.500 7.426 0.074 2
1 99 . 1 1 A 9 9 LYS HA H 20 3.950 3.975 -0.025 2
1 108 . 1 1 A 9 9 LYS C C 20 178.100 179.475 -1.375 2
1 109 . 1 1 A 9 9 LYS CA C 20 60.500 59.350 1.150 2
1 110 . 1 1 A 9 9 LYS CB C 20 32.200 31.971 0.229 2
1 114 . 1 1 A 9 9 LYS N N 20 120.100 119.286 0.814 2
1 115 . 1 1 A 10 10 VAL H H 21 8.030 7.651 0.379 2
1 116 . 1 1 A 10 10 VAL HA H 21 3.410 3.611 -0.201 2
1 124 . 1 1 A 10 10 VAL C C 21 177.400 178.157 -0.757 2
1 125 . 1 1 A 10 10 VAL CA C 21 66.600 66.217 0.383 2
1 126 . 1 1 A 10 10 VAL CB C 21 31.800 31.771 0.029 2
1 129 . 1 1 A 10 10 VAL N N 21 117.300 119.694 -2.394 2
1 130 . 1 1 A 11 11 THR H H 22 8.230 8.164 0.066 2
1 131 . 1 1 A 11 11 THR HA H 22 3.580 3.845 -0.265 2
1 137 . 1 1 A 11 11 THR C C 22 174.700 176.233 -1.533 2
1 138 . 1 1 A 11 11 THR CA C 22 68.700 66.927 1.773 2
1 139 . 1 1 A 11 11 THR CB C 22 68.500 68.393 0.107 2
1 141 . 1 1 A 11 11 THR N N 22 115.700 117.421 -1.721 2
1 142 . 1 1 A 12 12 LEU H H 23 7.780 8.191 -0.411 2
1 143 . 1 1 A 12 12 LEU HA H 23 3.930 3.858 0.072 2
1 153 . 1 1 A 12 12 LEU C C 23 178.400 178.338 0.062 2
1 154 . 1 1 A 12 12 LEU CA C 23 58.500 58.090 0.410 2
1 155 . 1 1 A 12 12 LEU CB C 23 42.300 41.697 0.603 2
1 159 . 1 1 A 12 12 LEU N N 23 121.400 121.291 0.109 2
1 160 . 1 1 A 13 13 TYR H H 24 7.970 8.460 -0.490 2
1 161 . 1 1 A 13 13 TYR HA H 24 3.910 4.167 -0.257 2
1 168 . 1 1 A 13 13 TYR C C 24 177.400 177.099 0.301 2
1 169 . 1 1 A 13 13 TYR CA C 24 61.700 61.480 0.220 2
1 170 . 1 1 A 13 13 TYR CB C 24 39.400 38.762 0.638 2
1 175 . 1 1 A 13 13 TYR N N 24 119.100 119.561 -0.461 2
1 176 . 1 1 A 14 14 LEU H H 25 8.230 8.408 -0.178 2
1 177 . 1 1 A 14 14 LEU HA H 25 3.400 3.582 -0.182 2
1 187 . 1 1 A 14 14 LEU C C 25 177.200 179.014 -1.814 2
1 188 . 1 1 A 14 14 LEU CA C 25 57.600 57.684 -0.084 2
1 189 . 1 1 A 14 14 LEU CB C 25 42.200 41.090 1.109 2
1 193 . 1 1 A 14 14 LEU N N 25 119.600 119.564 0.036 2
1 194 . 1 1 A 15 15 LYS H H 26 8.010 7.814 0.196 2
1 195 . 1 1 A 15 15 LYS HA H 26 3.230 3.724 -0.494 2
1 204 . 1 1 A 15 15 LYS C C 26 178.800 178.844 -0.044 2
1 205 . 1 1 A 15 15 LYS CA C 26 59.000 58.823 0.177 2
1 206 . 1 1 A 15 15 LYS CB C 26 32.600 31.807 0.793 2
1 210 . 1 1 A 15 15 LYS N N 26 117.000 119.164 -2.164 2
1 211 . 1 1 A 16 16 HIS H H 27 7.890 7.512 0.378 2
1 212 . 1 1 A 16 16 HIS HA H 27 4.030 4.197 -0.167 2
1 217 . 1 1 A 16 16 HIS C C 27 175.900 176.827 -0.927 2
1 218 . 1 1 A 16 16 HIS CA C 27 59.000 59.697 -0.697 2
1 219 . 1 1 A 16 16 HIS CB C 27 30.900 30.246 0.654 2
1 222 . 1 1 A 16 16 HIS N N 27 113.200 117.774 -4.574 2
1 223 . 1 1 A 17 17 ASN H H 28 6.950 7.446 -0.496 2
1 224 . 1 1 A 17 17 ASN HA H 28 4.900 4.427 0.473 2
1 229 . 1 1 A 17 17 ASN C C 28 172.900 174.683 -1.783 2
1 230 . 1 1 A 17 17 ASN CA C 28 54.100 54.113 -0.013 2
1 231 . 1 1 A 17 17 ASN CB C 28 42.500 38.510 3.990 2
1 233 . 1 1 A 17 17 ASN N N 28 112.200 114.114 -1.914 2
1 235 . 1 1 A 18 18 ILE H H 29 7.310 7.669 -0.359 2
1 236 . 1 1 A 18 18 ILE HA H 29 4.560 4.463 0.097 2
1 246 . 1 1 A 18 18 ILE CA C 29 58.000 57.892 0.108 2
1 247 . 1 1 A 18 18 ILE CB C 29 38.000 39.160 -1.160 2
1 251 . 1 1 A 18 18 ILE N N 29 119.300 118.880 0.420 2
1 252 . 1 1 A 19 19 PRO HA H 30 4.170 4.408 -0.238 2
1 259 . 1 1 A 19 19 PRO C C 30 178.000 177.343 0.657 2
1 260 . 1 1 A 19 19 PRO CA C 30 65.700 64.794 0.906 2
1 261 . 1 1 A 19 19 PRO CB C 30 32.100 31.811 0.289 2
1 264 . 1 1 A 20 20 ASP H H 31 8.470 8.330 0.140 2
1 265 . 1 1 A 20 20 ASP HA H 31 4.790 4.725 0.065 2
1 268 . 1 1 A 20 20 ASP C C 31 175.600 175.929 -0.329 2
1 269 . 1 1 A 20 20 ASP CA C 31 53.800 54.070 -0.270 2
1 270 . 1 1 A 20 20 ASP CB C 31 39.600 40.938 -1.338 2
1 271 . 1 1 A 20 20 ASP N N 31 113.700 117.084 -3.384 2
1 272 . 1 1 A 21 21 PHE H H 32 7.890 7.626 0.264 2
1 273 . 1 1 A 21 21 PHE HA H 32 3.810 4.338 -0.528 2
1 281 . 1 1 A 21 21 PHE C C 32 174.200 175.073 -0.873 2
1 282 . 1 1 A 21 21 PHE CA C 32 61.100 59.626 1.474 2
1 283 . 1 1 A 21 21 PHE CB C 32 39.900 39.785 0.115 2
1 289 . 1 1 A 21 21 PHE N N 32 122.200 123.265 -1.065 2
1 290 . 1 1 A 22 22 ASN H H 33 9.380 8.458 0.922 2
1 291 . 1 1 A 22 22 ASN HA H 33 4.680 4.739 -0.059 2
1 296 . 1 1 A 22 22 ASN C C 33 173.600 174.138 -0.538 2
1 297 . 1 1 A 22 22 ASN CA C 33 54.600 54.438 0.162 2
1 298 . 1 1 A 22 22 ASN CB C 33 41.700 40.499 1.201 2
1 300 . 1 1 A 22 22 ASN N N 33 126.600 124.737 1.863 2
1 302 . 1 1 A 23 23 THR H H 34 7.010 7.171 -0.161 2
1 303 . 1 1 A 23 23 THR HA H 34 4.280 4.506 -0.226 2
1 308 . 1 1 A 23 23 THR C C 34 171.100 171.425 -0.325 2
1 309 . 1 1 A 23 23 THR CA C 34 60.300 60.298 0.002 2
1 310 . 1 1 A 23 23 THR CB C 34 71.100 70.821 0.279 2
1 312 . 1 1 A 23 23 THR N N 34 109.600 110.611 -1.011 2
1 313 . 1 1 A 24 24 VAL H H 35 8.290 8.877 -0.587 2
1 314 . 1 1 A 24 24 VAL HA H 35 4.850 4.908 -0.058 2
1 322 . 1 1 A 24 24 VAL C C 35 171.400 173.419 -2.019 2
1 323 . 1 1 A 24 24 VAL CA C 35 59.300 60.012 -0.712 2
1 324 . 1 1 A 24 24 VAL CB C 35 35.500 35.439 0.061 2
1 327 . 1 1 A 24 24 VAL N N 35 119.500 123.156 -3.656 2
1 328 . 1 1 A 25 25 THR H H 36 8.200 8.550 -0.350 2
1 329 . 1 1 A 25 25 THR HA H 36 4.150 4.782 -0.632 2
1 334 . 1 1 A 25 25 THR C C 36 171.900 173.234 -1.334 2
1 335 . 1 1 A 25 25 THR CA C 36 61.100 60.722 0.378 2
1 336 . 1 1 A 25 25 THR CB C 36 70.900 70.387 0.513 2
1 338 . 1 1 A 25 25 THR N N 36 125.200 123.073 2.127 2
1 339 . 1 1 A 26 26 PHE H H 37 8.900 8.819 0.081 2
1 340 . 1 1 A 26 26 PHE HA H 37 5.140 4.920 0.220 2
1 348 . 1 1 A 26 26 PHE C C 37 176.900 175.638 1.262 2
1 349 . 1 1 A 26 26 PHE CA C 37 58.100 57.087 1.013 2
1 350 . 1 1 A 26 26 PHE CB C 37 39.900 40.650 -0.750 2
1 356 . 1 1 A 26 26 PHE N N 37 124.500 126.007 -1.507 2
1 357 . 1 1 A 27 27 THR H H 38 9.090 8.837 0.253 2
1 358 . 1 1 A 27 27 THR HA H 38 4.430 4.653 -0.223 2
1 363 . 1 1 A 27 27 THR C C 38 174.800 174.276 0.524 2
1 364 . 1 1 A 27 27 THR CA C 38 61.600 61.829 -0.229 2
1 365 . 1 1 A 27 27 THR CB C 38 69.400 70.438 -1.038 2
1 367 . 1 1 A 27 27 THR N N 38 114.000 115.102 -1.102 2
1 368 . 1 1 A 28 28 ASN H H 39 7.880 8.104 -0.224 2
1 369 . 1 1 A 28 28 ASN HA H 39 4.780 4.866 -0.086 2
1 374 . 1 1 A 28 28 ASN C C 39 173.700 174.632 -0.932 2
1 375 . 1 1 A 28 28 ASN CA C 39 54.100 53.881 0.219 2
1 376 . 1 1 A 28 28 ASN CB C 39 40.800 39.110 1.690 2
1 378 . 1 1 A 28 28 ASN N N 39 118.900 120.310 -1.410 2
1 380 . 1 1 A 29 29 GLU H H 40 8.150 8.484 -0.334 2
1 381 . 1 1 A 29 29 GLU HA H 40 4.560 4.564 -0.005 2
1 386 . 1 1 A 29 29 GLU C C 40 174.800 175.244 -0.444 2
1 387 . 1 1 A 29 29 GLU CA C 40 55.600 56.386 -0.786 2
1 388 . 1 1 A 29 29 GLU CB C 40 30.500 30.368 0.132 2
1 390 . 1 1 A 29 29 GLU N N 40 121.700 121.045 0.655 2
1 391 . 1 1 A 30 30 GLU H H 41 8.410 8.404 0.006 2
1 392 . 1 1 A 30 30 GLU HA H 41 4.410 4.711 -0.301 2
1 397 . 1 1 A 30 30 GLU C C 41 175.100 175.059 0.041 2
1 398 . 1 1 A 30 30 GLU CA C 41 55.400 55.629 -0.229 2
1 399 . 1 1 A 30 30 GLU CB C 41 32.200 32.190 0.010 2
1 401 . 1 1 A 30 30 GLU N N 41 120.500 121.958 -1.458 2
1 402 . 1 1 A 31 31 PHE H H 42 8.570 8.674 -0.104 2
1 403 . 1 1 A 31 31 PHE HA H 42 4.820 5.076 -0.256 2
1 411 . 1 1 A 31 31 PHE C C 42 174.800 174.891 -0.091 2
1 412 . 1 1 A 31 31 PHE CA C 42 57.800 57.093 0.707 2
1 413 . 1 1 A 31 31 PHE CB C 42 40.200 40.850 -0.650 2
1 419 . 1 1 A 31 31 PHE N N 42 120.700 121.113 -0.413 2
1 420 . 1 1 A 32 32 ASN H H 43 8.350 8.764 -0.414 2
1 421 . 1 1 A 32 32 ASN HA H 43 4.950 5.093 -0.143 2
1 426 . 1 1 A 32 32 ASN CA C 43 51.600 50.874 0.726 2
1 427 . 1 1 A 32 32 ASN CB C 43 39.300 39.381 -0.081 2
1 429 . 1 1 A 32 32 ASN N N 43 122.000 121.859 0.141 2
1 431 . 1 1 A 33 33 PRO HA H 44 4.260 4.400 -0.140 2
1 438 . 1 1 A 33 33 PRO C C 44 177.400 177.892 -0.492 2
1 439 . 1 1 A 33 33 PRO CA C 44 65.300 65.369 -0.069 2
1 440 . 1 1 A 33 33 PRO CB C 44 32.200 31.886 0.314 2
1 443 . 1 1 A 34 34 ILE H H 45 7.840 7.979 -0.139 2
1 444 . 1 1 A 34 34 ILE HA H 45 4.240 4.106 0.134 2
1 454 . 1 1 A 34 34 ILE C C 45 176.400 175.890 0.510 2
1 455 . 1 1 A 34 34 ILE CA C 45 61.000 62.053 -1.053 2
1 456 . 1 1 A 34 34 ILE CB C 45 38.600 38.520 0.080 2
1 460 . 1 1 A 34 34 ILE N N 45 113.700 115.821 -2.121 2
1 461 . 1 1 A 35 35 GLY H H 46 7.860 7.634 0.226 2
1 462 . 1 1 A 35 35 GLY HA2 H 46 3.870 4.077 -0.207 2
1 463 . 1 1 A 35 35 GLY HA3 H 46 4.130 4.099 0.031 2
1 464 . 1 1 A 35 35 GLY C C 46 172.700 172.263 0.437 2
1 465 . 1 1 A 35 35 GLY CA C 46 45.900 45.899 0.001 2
1 466 . 1 1 A 35 35 GLY N N 46 111.900 108.901 2.999 2
1 467 . 1 1 A 36 36 ILE H H 47 8.180 8.511 -0.331 2
1 468 . 1 1 A 36 36 ILE HA H 47 4.720 4.973 -0.253 2
1 478 . 1 1 A 36 36 ILE C C 47 174.900 174.226 0.674 2
1 479 . 1 1 A 36 36 ILE CA C 47 60.500 58.882 1.618 2
1 480 . 1 1 A 36 36 ILE CB C 47 40.800 41.479 -0.679 2
1 484 . 1 1 A 36 36 ILE N N 47 118.300 120.806 -2.506 2
1 485 . 1 1 A 37 37 SER H H 48 8.430 8.935 -0.505 2
1 486 . 1 1 A 37 37 SER HA H 48 4.990 5.311 -0.321 2
1 489 . 1 1 A 37 37 SER C C 48 172.900 173.383 -0.483 2
1 490 . 1 1 A 37 37 SER CA C 48 57.800 57.014 0.786 2
1 491 . 1 1 A 37 37 SER CB C 48 65.600 65.202 0.398 2
1 492 . 1 1 A 37 37 SER N N 48 116.700 119.064 -2.364 2
1 493 . 1 1 A 38 38 ILE H H 49 9.150 9.220 -0.070 2
1 494 . 1 1 A 38 38 ILE HA H 49 4.720 4.912 -0.192 2
1 504 . 1 1 A 38 38 ILE C C 49 173.900 174.410 -0.509 2
1 505 . 1 1 A 38 38 ILE CA C 49 60.600 60.214 0.386 2
1 506 . 1 1 A 38 38 ILE CB C 49 41.000 40.186 0.814 2
1 510 . 1 1 A 38 38 ILE N N 49 124.300 126.876 -2.576 2
1 511 . 1 1 A 39 39 ASP H H 50 8.700 9.038 -0.338 2
1 512 . 1 1 A 39 39 ASP HA H 50 5.540 5.637 -0.097 2
1 515 . 1 1 A 39 39 ASP C C 50 176.200 175.177 1.023 2
1 516 . 1 1 A 39 39 ASP CA C 50 52.300 52.314 -0.014 2
1 517 . 1 1 A 39 39 ASP CB C 50 44.300 44.470 -0.170 2
1 518 . 1 1 A 39 39 ASP N N 50 126.600 127.445 -0.845 2
1 519 . 1 1 A 40 40 GLY H H 51 7.100 7.478 -0.378 2
1 520 . 1 1 A 40 40 GLY HA2 H 51 3.780 3.836 -0.056 2
1 521 . 1 1 A 40 40 GLY HA3 H 51 4.070 4.071 -0.001 2
1 522 . 1 1 A 40 40 GLY C C 51 170.100 171.382 -1.282 2
1 523 . 1 1 A 40 40 GLY CA C 51 47.200 45.816 1.384 2
1 524 . 1 1 A 40 40 GLY N N 51 106.400 109.656 -3.256 2
1 525 . 1 1 A 41 41 TYR H H 52 8.390 8.150 0.240 2
1 526 . 1 1 A 41 41 TYR HA H 52 5.530 5.933 -0.403 2
1 533 . 1 1 A 41 41 TYR C C 52 175.200 173.203 1.997 2
1 534 . 1 1 A 41 41 TYR CA C 52 56.000 56.008 -0.008 2
1 535 . 1 1 A 41 41 TYR CB C 52 39.200 42.096 -2.897 2
1 540 . 1 1 A 41 41 TYR N N 52 113.900 115.423 -1.523 2
1 541 . 1 1 A 42 42 ILE H H 53 8.420 8.427 -0.007 2
1 542 . 1 1 A 42 42 ILE HA H 53 5.450 4.864 0.586 2
1 552 . 1 1 A 42 42 ILE C C 53 174.500 175.148 -0.648 2
1 553 . 1 1 A 42 42 ILE CA C 53 59.300 59.421 -0.121 2
1 554 . 1 1 A 42 42 ILE CB C 53 40.700 41.000 -0.300 2
1 558 . 1 1 A 42 42 ILE N N 53 113.200 117.089 -3.889 2
1 559 . 1 1 A 43 43 ASN H H 54 8.760 9.141 -0.381 2
1 560 . 1 1 A 43 43 ASN HA H 54 4.120 4.374 -0.254 2
1 565 . 1 1 A 43 43 ASN C C 54 173.900 174.712 -0.812 2
1 566 . 1 1 A 43 43 ASN CA C 54 53.300 54.588 -1.288 2
1 567 . 1 1 A 43 43 ASN CB C 54 35.500 36.995 -1.495 2
1 569 . 1 1 A 43 43 ASN N N 54 116.700 118.887 -2.187 2
1 571 . 1 1 A 44 44 ASN H H 55 9.270 8.631 0.639 2
1 572 . 1 1 A 44 44 ASN HA H 55 4.260 4.488 -0.228 2
1 577 . 1 1 A 44 44 ASN C C 55 173.600 173.484 0.116 2
1 578 . 1 1 A 44 44 ASN CA C 55 54.800 54.694 0.106 2
1 579 . 1 1 A 44 44 ASN CB C 55 38.100 37.354 0.746 2
1 581 . 1 1 A 44 44 ASN N N 55 110.300 110.431 -0.131 2
1 583 . 1 1 A 45 45 ASP H H 56 8.100 8.099 0.001 2
1 584 . 1 1 A 45 45 ASP HA H 56 4.760 4.803 -0.043 2
1 587 . 1 1 A 45 45 ASP C C 56 175.900 176.243 -0.343 2
1 588 . 1 1 A 45 45 ASP CA C 56 52.600 52.989 -0.389 2
1 589 . 1 1 A 45 45 ASP CB C 56 42.000 41.593 0.407 2
1 590 . 1 1 A 45 45 ASP N N 56 119.500 118.837 0.663 2
1 591 . 1 1 A 46 46 LYS H H 57 8.260 8.636 -0.376 2
1 592 . 1 1 A 46 46 LYS HA H 57 2.760 3.581 -0.821 2
1 601 . 1 1 A 46 46 LYS C C 57 177.100 178.431 -1.331 2
1 602 . 1 1 A 46 46 LYS CA C 57 58.400 59.362 -0.962 2
1 603 . 1 1 A 46 46 LYS CB C 57 31.700 31.965 -0.265 2
1 607 . 1 1 A 46 46 LYS N N 57 124.100 125.624 -1.524 2
1 608 . 1 1 A 47 47 ASN H H 58 8.610 7.992 0.618 2
1 609 . 1 1 A 47 47 ASN HA H 58 4.620 4.536 0.084 2
1 614 . 1 1 A 47 47 ASN C C 58 177.000 176.784 0.216 2
1 615 . 1 1 A 47 47 ASN CA C 58 54.400 56.276 -1.876 2
1 616 . 1 1 A 47 47 ASN CB C 58 38.500 38.470 0.030 2
1 618 . 1 1 A 47 47 ASN N N 58 114.800 117.262 -2.462 2
1 620 . 1 1 A 48 48 LEU H H 59 8.470 7.520 0.950 2
1 621 . 1 1 A 48 48 LEU HA H 59 4.470 4.532 -0.062 2
1 631 . 1 1 A 48 48 LEU C C 59 175.300 175.558 -0.258 2
1 632 . 1 1 A 48 48 LEU CA C 59 52.800 54.273 -1.473 2
1 633 . 1 1 A 48 48 LEU CB C 59 39.100 40.160 -1.060 2
1 637 . 1 1 A 48 48 LEU N N 59 125.800 120.149 5.651 2
1 638 . 1 1 A 49 49 SER H H 60 7.270 8.573 -1.303 2
1 639 . 1 1 A 49 49 SER HA H 60 5.230 5.550 -0.320 2
1 642 . 1 1 A 49 49 SER C C 60 173.200 173.792 -0.591 2
1 643 . 1 1 A 49 49 SER CA C 60 56.900 57.140 -0.240 2
1 644 . 1 1 A 49 49 SER CB C 60 66.500 65.477 1.023 2
1 645 . 1 1 A 49 49 SER N N 60 112.400 119.863 -7.463 2
1 646 . 1 1 A 50 50 PHE H H 61 8.260 8.682 -0.422 2
1 647 . 1 1 A 50 50 PHE HA H 61 5.490 5.506 -0.016 2
1 655 . 1 1 A 50 50 PHE C C 61 174.500 173.131 1.369 2
1 656 . 1 1 A 50 50 PHE CA C 61 56.300 56.123 0.177 2
1 657 . 1 1 A 50 50 PHE CB C 61 44.600 42.763 1.837 2
1 663 . 1 1 A 50 50 PHE N N 61 114.200 119.531 -5.331 2
1 664 . 1 1 A 51 51 THR H H 62 8.520 8.701 -0.181 2
1 665 . 1 1 A 51 51 THR HA H 62 5.140 5.395 -0.255 2
1 670 . 1 1 A 51 51 THR C C 62 172.600 173.422 -0.822 2
1 671 . 1 1 A 51 51 THR CA C 62 62.000 61.041 0.959 2
1 672 . 1 1 A 51 51 THR CB C 62 72.000 72.031 -0.031 2
1 674 . 1 1 A 51 51 THR N N 62 116.000 115.979 0.021 2
1 675 . 1 1 A 52 52 ALA H H 63 9.870 8.999 0.871 2
1 676 . 1 1 A 52 52 ALA HA H 63 5.180 5.397 -0.217 2
1 680 . 1 1 A 52 52 ALA C C 63 176.300 176.019 0.281 2
1 681 . 1 1 A 52 52 ALA CA C 63 50.300 50.746 -0.446 2
1 682 . 1 1 A 52 52 ALA CB C 63 24.000 22.956 1.044 2
1 683 . 1 1 A 52 52 ALA N N 63 130.400 127.269 3.131 2
1 684 . 1 1 A 53 53 GLY H H 64 8.340 8.853 -0.513 2
1 685 . 1 1 A 53 53 GLY HA2 H 64 3.630 4.173 -0.543 2
1 686 . 1 1 A 53 53 GLY HA3 H 64 4.830 4.181 0.649 2
1 687 . 1 1 A 53 53 GLY C C 64 173.200 174.278 -1.078 2
1 688 . 1 1 A 53 53 GLY CA C 64 43.200 44.693 -1.493 2
1 689 . 1 1 A 53 53 GLY N N 64 107.100 109.451 -2.351 2
1 690 . 1 1 A 54 54 LYS H H 65 8.430 8.809 -0.378 2
1 691 . 1 1 A 54 54 LYS HA H 65 3.750 4.048 -0.298 2
1 700 . 1 1 A 54 54 LYS CA C 65 58.300 58.117 0.183 2
1 701 . 1 1 A 54 54 LYS CB C 65 32.600 31.765 0.835 2
1 705 . 1 1 A 54 54 LYS N N 65 119.300 122.711 -3.411 2
1 708 . 1 1 A 55 55 ASP C C 66 172.900 175.937 -3.037 2
1 709 . 1 1 A 56 56 VAL H H 67 8.510 8.414 0.096 2
1 710 . 1 1 A 56 56 VAL HA H 67 3.100 3.876 -0.776 2
1 718 . 1 1 A 56 56 VAL C C 67 176.400 176.049 0.351 2
1 719 . 1 1 A 56 56 VAL CA C 67 62.800 63.567 -0.767 2
1 720 . 1 1 A 56 56 VAL CB C 67 30.400 30.457 -0.057 2
1 723 . 1 1 A 56 56 VAL N N 67 112.700 118.069 -5.369 2
1 724 . 1 1 A 57 57 LYS H H 68 7.580 7.922 -0.342 2
1 725 . 1 1 A 57 57 LYS HA H 68 4.000 4.136 -0.136 2
1 734 . 1 1 A 57 57 LYS C C 68 176.700 176.376 0.324 2
1 735 . 1 1 A 57 57 LYS CA C 68 58.400 58.541 -0.141 2
1 736 . 1 1 A 57 57 LYS CB C 68 32.100 32.601 -0.501 2
1 740 . 1 1 A 57 57 LYS N N 68 118.700 121.819 -3.119 2
1 741 . 1 1 A 58 58 ILE H H 69 7.160 8.120 -0.960 2
1 742 . 1 1 A 58 58 ILE HA H 69 4.270 4.448 -0.178 2
1 752 . 1 1 A 58 58 ILE C C 69 174.300 174.838 -0.538 2
1 753 . 1 1 A 58 58 ILE CA C 69 59.900 60.605 -0.705 2
1 754 . 1 1 A 58 58 ILE CB C 69 41.000 39.620 1.380 2
1 758 . 1 1 A 58 58 ILE N N 69 115.700 119.594 -3.894 2
1 759 . 1 1 A 59 59 PHE H H 70 8.560 8.514 0.046 2
1 760 . 1 1 A 59 59 PHE HA H 70 4.890 5.628 -0.738 2
1 765 . 1 1 A 59 59 PHE C C 70 173.500 173.218 0.282 2
1 766 . 1 1 A 59 59 PHE CA C 70 58.700 55.867 2.833 2
1 767 . 1 1 A 59 59 PHE CB C 70 42.400 42.500 -0.100 2
1 770 . 1 1 A 59 59 PHE N N 70 127.500 126.395 1.105 2
1 771 . 1 1 A 60 60 SER H H 71 8.430 8.776 -0.346 2
1 772 . 1 1 A 60 60 SER HA H 71 4.850 5.261 -0.411 2
1 775 . 1 1 A 60 60 SER C C 71 172.100 172.724 -0.624 2
1 776 . 1 1 A 60 60 SER CA C 71 56.900 56.792 0.108 2
1 777 . 1 1 A 60 60 SER CB C 71 65.000 65.858 -0.858 2
1 778 . 1 1 A 60 60 SER N N 71 124.200 119.352 4.848 2
1 779 . 1 1 A 61 61 SER H H 72 8.630 8.699 -0.069 2
1 780 . 1 1 A 61 61 SER HA H 72 5.380 5.134 0.246 2
1 783 . 1 1 A 61 61 SER C C 72 174.700 173.382 1.318 2
1 784 . 1 1 A 61 61 SER CA C 72 57.400 57.003 0.397 2
1 785 . 1 1 A 61 61 SER CB C 72 68.200 66.259 1.941 2
1 786 . 1 1 A 61 61 SER N N 72 116.900 118.186 -1.286 2
1 787 . 1 1 A 62 62 SER H H 73 8.810 8.623 0.187 2
1 788 . 1 1 A 62 62 SER HA H 73 4.570 4.695 -0.125 2
1 792 . 1 1 A 62 62 SER C C 73 175.000 175.869 -0.869 2
1 793 . 1 1 A 62 62 SER CA C 73 57.600 57.372 0.228 2
1 794 . 1 1 A 62 62 SER CB C 73 65.400 65.228 0.172 2
1 795 . 1 1 A 62 62 SER N N 73 117.000 116.705 0.295 2
1 796 . 1 1 A 63 63 GLU H H 74 9.240 9.050 0.190 2
1 797 . 1 1 A 63 63 GLU HA H 74 4.140 4.026 0.114 2
1 802 . 1 1 A 63 63 GLU C C 74 179.000 178.507 0.493 2
1 803 . 1 1 A 63 63 GLU CA C 74 60.100 59.783 0.317 2
1 804 . 1 1 A 63 63 GLU CB C 74 29.600 29.424 0.176 2
1 806 . 1 1 A 63 63 GLU N N 74 123.600 121.422 2.178 2
1 807 . 1 1 A 64 64 GLU H H 75 8.970 8.100 0.870 2
1 808 . 1 1 A 64 64 GLU HA H 75 3.950 4.093 -0.143 2
1 813 . 1 1 A 64 64 GLU C C 75 179.000 179.241 -0.241 2
1 814 . 1 1 A 64 64 GLU CA C 75 60.100 59.019 1.081 2
1 815 . 1 1 A 64 64 GLU CB C 75 29.500 29.637 -0.137 2
1 817 . 1 1 A 64 64 GLU N N 75 117.000 120.351 -3.351 2
1 818 . 1 1 A 65 65 LEU H H 76 7.740 7.830 -0.090 2
1 819 . 1 1 A 65 65 LEU HA H 76 4.330 4.226 0.104 2
1 829 . 1 1 A 65 65 LEU C C 76 178.900 178.295 0.605 2
1 830 . 1 1 A 65 65 LEU CA C 76 57.500 57.419 0.081 2
1 831 . 1 1 A 65 65 LEU CB C 76 41.800 41.921 -0.121 2
1 835 . 1 1 A 65 65 LEU N N 76 119.900 121.490 -1.590 2
1 836 . 1 1 A 66 66 ASP H H 77 8.620 8.574 0.046 2
1 837 . 1 1 A 66 66 ASP HA H 77 4.580 4.385 0.195 2
1 840 . 1 1 A 66 66 ASP C C 77 178.800 178.624 0.176 2
1 841 . 1 1 A 66 66 ASP CA C 77 58.300 57.827 0.473 2
1 842 . 1 1 A 66 66 ASP CB C 77 42.100 41.350 0.750 2
1 843 . 1 1 A 66 66 ASP N N 77 120.300 119.304 0.996 2
1 844 . 1 1 A 67 67 LYS H H 78 7.210 7.856 -0.646 2
1 845 . 1 1 A 67 67 LYS HA H 78 4.240 4.159 0.081 2
1 854 . 1 1 A 67 67 LYS C C 78 177.400 178.731 -1.331 2
1 855 . 1 1 A 67 67 LYS CA C 78 58.000 58.815 -0.815 2
1 856 . 1 1 A 67 67 LYS CB C 78 33.000 31.971 1.029 2
1 860 . 1 1 A 67 67 LYS N N 78 113.200 118.325 -5.125 2
1 861 . 1 1 A 68 68 MET H H 79 8.210 8.124 0.086 2
1 862 . 1 1 A 68 68 MET HA H 79 4.270 4.359 -0.089 2
1 870 . 1 1 A 68 68 MET C C 79 176.800 176.947 -0.147 2
1 871 . 1 1 A 68 68 MET CA C 79 56.800 57.460 -0.660 2
1 872 . 1 1 A 68 68 MET CB C 79 33.900 32.646 1.254 2
1 875 . 1 1 A 68 68 MET N N 79 116.400 117.974 -1.574 2
1 876 . 1 1 A 69 69 PHE H H 80 7.330 7.734 -0.404 2
1 877 . 1 1 A 69 69 PHE HA H 80 4.300 4.600 -0.300 2
1 882 . 1 1 A 69 69 PHE C C 80 176.900 175.572 1.328 2
1 883 . 1 1 A 69 69 PHE CA C 80 59.300 58.826 0.474 2
1 884 . 1 1 A 69 69 PHE CB C 80 40.600 39.448 1.152 2
1 887 . 1 1 A 69 69 PHE N N 80 118.100 119.058 -0.958 2
1 888 . 1 1 A 70 70 GLN H H 81 8.540 8.702 -0.162 2
1 889 . 1 1 A 70 70 GLN HA H 81 4.450 4.459 -0.009 2
1 896 . 1 1 A 70 70 GLN C C 81 174.200 175.330 -1.130 2
1 897 . 1 1 A 70 70 GLN CA C 81 55.000 56.361 -1.361 2
1 898 . 1 1 A 70 70 GLN CB C 81 29.400 30.217 -0.817 2
1 901 . 1 1 A 70 70 GLN N N 81 121.600 123.462 -1.862 2
1 903 . 1 1 A 71 71 GLU H H 82 8.340 7.735 0.605 2
1 904 . 1 1 A 71 71 GLU HA H 82 4.780 4.698 0.082 2
1 909 . 1 1 A 71 71 GLU CA C 82 53.100 53.514 -0.414 2
1 910 . 1 1 A 71 71 GLU CB C 82 30.600 30.733 -0.133 2
1 912 . 1 1 A 71 71 GLU N N 82 122.900 118.339 4.561 2
1 913 . 1 1 A 72 72 PRO HA H 83 4.880 4.612 0.268 2
1 920 . 1 1 A 72 72 PRO C C 83 176.200 176.725 -0.525 2
1 921 . 1 1 A 72 72 PRO CA C 83 62.100 62.756 -0.656 2
1 922 . 1 1 A 72 72 PRO CB C 83 33.800 32.172 1.628 2
1 925 . 1 1 A 73 73 ARG H H 84 8.580 8.549 0.031 2
1 926 . 1 1 A 73 73 ARG HA H 84 4.390 4.739 -0.349 2
1 934 . 1 1 A 73 73 ARG C C 84 176.000 176.315 -0.315 2
1 935 . 1 1 A 73 73 ARG CA C 84 56.000 56.496 -0.496 2
1 936 . 1 1 A 73 73 ARG CB C 84 31.100 30.990 0.110 2
1 940 . 1 1 A 73 73 ARG N N 84 123.400 122.215 1.185 2
1 942 . 1 1 A 74 74 LYS H H 85 9.080 9.042 0.038 2
1 943 . 1 1 A 74 74 LYS HA H 85 4.540 4.931 -0.391 2
1 952 . 1 1 A 74 74 LYS C C 85 176.500 176.471 0.029 2
1 953 . 1 1 A 74 74 LYS CA C 85 55.000 55.360 -0.360 2
1 954 . 1 1 A 74 74 LYS CB C 85 34.900 35.535 -0.635 2
1 958 . 1 1 A 74 74 LYS N N 85 123.300 122.835 0.465 2
1 959 . 1 1 A 75 75 GLY H H 86 8.870 8.399 0.470 2
1 960 . 1 1 A 75 75 GLY HA2 H 86 3.930 4.148 -0.218 2
1 961 . 1 1 A 75 75 GLY HA3 H 86 4.350 4.185 0.165 2
1 962 . 1 1 A 75 75 GLY C C 86 174.000 174.937 -0.937 2
1 963 . 1 1 A 75 75 GLY CA C 86 44.600 45.193 -0.593 2
1 964 . 1 1 A 75 75 GLY N N 86 108.700 108.749 -0.049 2
1 965 . 1 1 A 76 76 TYR H H 87 8.880 9.051 -0.171 2
1 966 . 1 1 A 76 76 TYR HA H 87 3.930 4.106 -0.176 2
1 973 . 1 1 A 76 76 TYR C C 87 175.800 177.265 -1.465 2
1 974 . 1 1 A 76 76 TYR CA C 87 62.900 61.527 1.373 2
1 975 . 1 1 A 76 76 TYR CB C 87 38.700 38.907 -0.207 2
1 980 . 1 1 A 76 76 TYR N N 87 120.400 121.206 -0.806 2
1 981 . 1 1 A 77 77 ASP H H 88 8.450 8.448 0.002 2
1 982 . 1 1 A 77 77 ASP HA H 88 4.000 4.192 -0.192 2
1 985 . 1 1 A 77 77 ASP C C 88 178.200 178.610 -0.410 2
1 986 . 1 1 A 77 77 ASP CA C 88 57.000 57.107 -0.107 2
1 987 . 1 1 A 77 77 ASP CB C 88 39.600 40.365 -0.765 2
1 988 . 1 1 A 77 77 ASP N N 88 115.800 119.380 -3.580 2
1 989 . 1 1 A 78 78 GLU H H 89 7.520 8.096 -0.576 2
1 990 . 1 1 A 78 78 GLU HA H 89 4.020 4.076 -0.056 2
1 995 . 1 1 A 78 78 GLU C C 89 178.500 179.179 -0.679 2
1 996 . 1 1 A 78 78 GLU CA C 89 58.500 59.072 -0.572 2
1 997 . 1 1 A 78 78 GLU CB C 89 30.100 29.552 0.548 2
1 999 . 1 1 A 78 78 GLU N N 89 119.600 119.803 -0.203 2
1 1000 . 1 1 A 79 79 ILE H H 90 7.850 7.576 0.274 2
1 1001 . 1 1 A 79 79 ILE HA H 90 3.300 3.763 -0.463 2
1 1011 . 1 1 A 79 79 ILE C C 90 177.700 177.899 -0.199 2
1 1012 . 1 1 A 79 79 ILE CA C 90 64.600 64.239 0.361 2
1 1013 . 1 1 A 79 79 ILE CB C 90 37.700 37.207 0.493 2
1 1017 . 1 1 A 79 79 ILE N N 90 121.700 118.896 2.804 2
1 1018 . 1 1 A 80 80 LEU H H 91 7.710 7.782 -0.072 2
1 1019 . 1 1 A 80 80 LEU HA H 91 3.780 3.802 -0.022 2
1 1029 . 1 1 A 80 80 LEU C C 91 178.600 178.885 -0.285 2
1 1030 . 1 1 A 80 80 LEU CA C 91 56.900 58.168 -1.268 2
1 1031 . 1 1 A 80 80 LEU CB C 91 41.600 41.163 0.437 2
1 1035 . 1 1 A 80 80 LEU N N 91 120.500 122.337 -1.837 2
1 1036 . 1 1 A 81 81 GLU H H 92 7.620 7.823 -0.203 2
1 1037 . 1 1 A 81 81 GLU HA H 92 3.960 4.037 -0.077 2
1 1042 . 1 1 A 81 81 GLU C C 92 177.400 177.257 0.143 2
1 1043 . 1 1 A 81 81 GLU CA C 92 58.300 59.137 -0.837 2
1 1044 . 1 1 A 81 81 GLU CB C 92 29.700 29.627 0.073 2
1 1046 . 1 1 A 81 81 GLU N N 92 118.100 118.313 -0.213 2
1 1047 . 1 1 A 82 82 HIS H H 93 7.840 7.801 0.039 2
1 1048 . 1 1 A 82 82 HIS HA H 93 4.440 4.471 -0.031 2
1 1051 . 1 1 A 82 82 HIS C C 93 175.600 175.041 0.559 2
1 1052 . 1 1 A 82 82 HIS CA C 93 57.000 56.982 0.018 2
1 1053 . 1 1 A 82 82 HIS CB C 93 29.800 29.579 0.221 2
1 1054 . 1 1 A 82 82 HIS N N 93 116.900 118.466 -1.566 2
1 1055 . 1 1 A 83 83 HIS H H 94 8.080 8.500 -0.420 2
1 1056 . 1 1 A 83 83 HIS HA H 94 4.480 4.475 0.005 2
1 1059 . 1 1 A 83 83 HIS CA C 94 56.700 56.561 0.139 2
1 1060 . 1 1 A 83 83 HIS CB C 94 29.900 30.052 -0.152 2
stop_
save_