data_15841_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15841
_Entry.PDB_ID 2K5L
_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 16 . 1 1 1 A 2 2 PHE H H 2 9.360 8.963 0.397 1
1 17 . 1 1 1 A 2 2 PHE HA H 2 4.960 5.296 -0.336 1
1 25 . 1 1 1 A 2 2 PHE C C 2 173.300 174.099 -0.799 1
1 26 . 1 1 1 A 2 2 PHE CA C 2 56.400 55.772 0.628 1
1 27 . 1 1 1 A 2 2 PHE CB C 2 38.500 41.288 -2.788 1
1 31 . 1 1 1 A 2 2 PHE N N 2 127.300 128.676 -1.376 1
1 32 . 1 1 1 A 3 3 SER H H 3 9.150 8.892 0.258 1
1 33 . 1 1 1 A 3 3 SER HA H 3 5.590 4.962 0.628 1
1 36 . 1 1 1 A 3 3 SER C C 3 176.100 175.267 0.833 1
1 37 . 1 1 1 A 3 3 SER CA C 3 56.500 56.828 -0.328 1
1 38 . 1 1 1 A 3 3 SER CB C 3 68.100 65.430 2.670 1
1 39 . 1 1 1 A 3 3 SER N N 3 124.000 124.015 -0.015 1
1 40 . 1 1 1 A 4 4 LEU H H 4 8.540 8.580 -0.040 1
1 41 . 1 1 1 A 4 4 LEU HA H 4 3.770 4.086 -0.316 1
1 51 . 1 1 1 A 4 4 LEU C C 4 177.200 178.215 -1.015 1
1 52 . 1 1 1 A 4 4 LEU CA C 4 57.300 57.755 -0.455 1
1 53 . 1 1 1 A 4 4 LEU CB C 4 41.600 41.506 0.094 1
1 57 . 1 1 1 A 4 4 LEU N N 4 120.800 127.022 -6.222 1
1 58 . 1 1 1 A 5 5 ARG H H 5 7.150 8.342 -1.192 1
1 59 . 1 1 1 A 5 5 ARG HA H 5 3.830 4.130 -0.300 1
1 66 . 1 1 1 A 5 5 ARG C C 5 175.900 176.362 -0.462 1
1 67 . 1 1 1 A 5 5 ARG CA C 5 57.300 57.670 -0.370 1
1 68 . 1 1 1 A 5 5 ARG CB C 5 29.400 29.382 0.018 1
1 71 . 1 1 1 A 5 5 ARG N N 5 115.100 117.667 -2.567 1
1 72 . 1 1 1 A 6 6 ASP H H 6 7.600 7.655 -0.055 1
1 73 . 1 1 1 A 6 6 ASP HA H 6 4.490 4.537 -0.047 1
1 76 . 1 1 1 A 6 6 ASP C C 6 175.700 176.048 -0.348 1
1 77 . 1 1 1 A 6 6 ASP CA C 6 54.700 54.333 0.367 1
1 78 . 1 1 1 A 6 6 ASP CB C 6 42.000 40.945 1.055 1
1 79 . 1 1 1 A 6 6 ASP N N 6 117.000 118.495 -1.495 1
1 80 . 1 1 1 A 7 7 ALA H H 7 6.990 7.062 -0.072 1
1 81 . 1 1 1 A 7 7 ALA HA H 7 4.390 4.386 0.004 1
1 85 . 1 1 1 A 7 7 ALA C C 7 175.300 177.075 -1.775 1
1 86 . 1 1 1 A 7 7 ALA CA C 7 51.600 51.950 -0.350 1
1 87 . 1 1 1 A 7 7 ALA CB C 7 19.500 20.157 -0.657 1
1 88 . 1 1 1 A 7 7 ALA N N 7 122.200 122.184 0.016 1
1 89 . 1 1 1 A 8 8 LYS H H 8 8.270 8.801 -0.531 1
1 90 . 1 1 1 A 8 8 LYS HA H 8 4.480 4.708 -0.228 1
1 99 . 1 1 1 A 8 8 LYS C C 8 175.600 176.051 -0.451 1
1 100 . 1 1 1 A 8 8 LYS CA C 8 53.800 54.579 -0.779 1
1 101 . 1 1 1 A 8 8 LYS CB C 8 34.600 34.411 0.189 1
1 105 . 1 1 1 A 8 8 LYS N N 8 118.500 120.590 -2.090 1
1 106 . 1 1 1 A 9 9 CYS H H 9 8.400 8.651 -0.251 1
1 107 . 1 1 1 A 9 9 CYS HA H 9 3.630 4.305 -0.675 1
1 110 . 1 1 1 A 9 9 CYS C C 9 175.700 175.444 0.256 1
1 111 . 1 1 1 A 9 9 CYS CA C 9 60.300 60.413 -0.113 1
1 112 . 1 1 1 A 9 9 CYS CB C 9 26.700 27.171 -0.471 1
1 113 . 1 1 1 A 9 9 CYS N N 9 117.100 122.394 -5.294 1
1 114 . 1 1 1 A 10 10 GLY H H 10 8.950 8.624 0.326 1
1 115 . 1 1 1 A 10 10 GLY HA2 H 10 3.790 3.909 -0.119 1
1 116 . 1 1 1 A 10 10 GLY HA3 H 10 4.350 3.965 0.385 1
1 117 . 1 1 1 A 10 10 GLY C C 10 174.600 174.534 0.066 1
1 118 . 1 1 1 A 10 10 GLY CA C 10 44.600 45.081 -0.481 1
1 119 . 1 1 1 A 10 10 GLY N N 10 114.200 113.858 0.342 1
1 120 . 1 1 1 A 11 11 GLN H H 11 7.750 7.526 0.224 1
1 121 . 1 1 1 A 11 11 GLN HA H 11 4.500 4.616 -0.116 1
1 128 . 1 1 1 A 11 11 GLN C C 11 174.200 175.003 -0.803 1
1 129 . 1 1 1 A 11 11 GLN CA C 11 56.000 54.503 1.497 1
1 130 . 1 1 1 A 11 11 GLN CB C 11 29.400 30.522 -1.122 1
1 132 . 1 1 1 A 11 11 GLN N N 11 118.900 119.415 -0.515 1
1 134 . 1 1 1 A 12 12 THR H H 12 8.380 8.484 -0.104 1
1 135 . 1 1 1 A 12 12 THR HA H 12 5.330 4.916 0.414 1
1 140 . 1 1 1 A 12 12 THR C C 12 174.100 174.376 -0.276 1
1 141 . 1 1 1 A 12 12 THR CA C 12 62.100 62.010 0.090 1
1 142 . 1 1 1 A 12 12 THR CB C 12 69.600 70.273 -0.673 1
1 144 . 1 1 1 A 12 12 THR N N 12 116.600 117.393 -0.793 1
1 145 . 1 1 1 A 13 13 VAL H H 13 9.190 9.280 -0.090 1
1 146 . 1 1 1 A 13 13 VAL HA H 13 5.140 5.474 -0.334 1
1 154 . 1 1 1 A 13 13 VAL C C 13 173.200 174.580 -1.380 1
1 155 . 1 1 1 A 13 13 VAL CA C 13 57.300 59.196 -1.896 1
1 156 . 1 1 1 A 13 13 VAL CB C 13 35.100 35.356 -0.256 1
1 159 . 1 1 1 A 13 13 VAL N N 13 117.500 121.546 -4.046 1
1 160 . 1 1 1 A 14 14 LYS H H 14 9.000 8.686 0.314 1
1 161 . 1 1 1 A 14 14 LYS HA H 14 5.350 5.089 0.261 1
1 170 . 1 1 1 A 14 14 LYS C C 14 176.900 175.603 1.297 1
1 171 . 1 1 1 A 14 14 LYS CA C 14 53.800 54.377 -0.577 1
1 172 . 1 1 1 A 14 14 LYS CB C 14 35.500 36.468 -0.968 1
1 176 . 1 1 1 A 14 14 LYS N N 14 120.300 121.393 -1.093 1
1 177 . 1 1 1 A 15 15 VAL H H 15 8.620 8.880 -0.260 1
1 178 . 1 1 1 A 15 15 VAL HA H 15 3.880 4.058 -0.178 1
1 186 . 1 1 1 A 15 15 VAL C C 15 176.700 176.767 -0.067 1
1 187 . 1 1 1 A 15 15 VAL CA C 15 64.300 63.656 0.644 1
1 188 . 1 1 1 A 15 15 VAL CB C 15 31.500 31.910 -0.410 1
1 191 . 1 1 1 A 15 15 VAL N N 15 123.100 123.475 -0.375 1
1 192 . 1 1 1 A 16 16 VAL H H 16 9.580 9.103 0.477 1
1 193 . 1 1 1 A 16 16 VAL HA H 16 4.100 4.355 -0.255 1
1 201 . 1 1 1 A 16 16 VAL C C 16 175.300 175.491 -0.191 1
1 202 . 1 1 1 A 16 16 VAL CA C 16 63.400 62.729 0.671 1
1 203 . 1 1 1 A 16 16 VAL CB C 16 33.700 33.179 0.521 1
1 206 . 1 1 1 A 16 16 VAL N N 16 130.100 121.125 8.975 1
1 207 . 1 1 1 A 17 17 LYS H H 17 7.490 7.395 0.095 1
1 208 . 1 1 1 A 17 17 LYS HA H 17 4.380 4.774 -0.394 1
1 217 . 1 1 1 A 17 17 LYS C C 17 172.900 175.484 -2.584 1
1 218 . 1 1 1 A 17 17 LYS CA C 17 56.200 54.673 1.527 1
1 219 . 1 1 1 A 17 17 LYS CB C 17 35.500 35.824 -0.324 1
1 223 . 1 1 1 A 17 17 LYS N N 17 116.800 119.799 -2.999 1
1 224 . 1 1 1 A 18 18 LEU H H 18 8.520 8.881 -0.361 1
1 225 . 1 1 1 A 18 18 LEU HA H 18 4.890 4.931 -0.041 1
1 235 . 1 1 1 A 18 18 LEU C C 18 175.600 176.065 -0.465 1
1 236 . 1 1 1 A 18 18 LEU CA C 18 53.800 53.403 0.397 1
1 237 . 1 1 1 A 18 18 LEU CB C 18 42.500 44.319 -1.819 1
1 241 . 1 1 1 A 18 18 LEU N N 18 124.100 121.746 2.354 1
1 242 . 1 1 1 A 19 19 HIS H H 19 8.790 8.707 0.083 1
1 243 . 1 1 1 A 19 19 HIS HA H 19 4.620 4.810 -0.190 1
1 248 . 1 1 1 A 19 19 HIS C C 19 173.000 174.974 -1.974 1
1 249 . 1 1 1 A 19 19 HIS CA C 19 55.500 55.495 0.005 1
1 250 . 1 1 1 A 19 19 HIS CB C 19 32.800 31.850 0.950 1
1 253 . 1 1 1 A 19 19 HIS N N 19 122.700 123.250 -0.550 1
1 254 . 1 1 1 A 20 20 GLY H H 20 8.100 8.634 -0.534 1
1 255 . 1 1 1 A 20 20 GLY HA2 H 20 3.920 4.121 -0.201 1
1 256 . 1 1 1 A 20 20 GLY HA3 H 20 4.510 4.128 0.382 1
1 257 . 1 1 1 A 20 20 GLY C C 20 174.500 173.933 0.567 1
1 258 . 1 1 1 A 20 20 GLY CA C 20 44.200 44.315 -0.115 1
1 259 . 1 1 1 A 20 20 GLY N N 20 103.400 109.217 -5.817 1
1 260 . 1 1 1 A 21 21 THR H H 21 7.750 8.558 -0.808 1
1 261 . 1 1 1 A 21 21 THR HA H 21 4.450 4.623 -0.173 1
1 266 . 1 1 1 A 21 21 THR C C 21 175.400 175.840 -0.440 1
1 267 . 1 1 1 A 21 21 THR CA C 21 60.800 61.872 -1.072 1
1 268 . 1 1 1 A 21 21 THR CB C 21 70.900 68.737 2.163 1
1 270 . 1 1 1 A 21 21 THR N N 21 108.600 112.486 -3.886 1
1 271 . 1 1 1 A 22 22 GLY H H 22 8.780 7.895 0.885 1
1 272 . 1 1 1 A 22 22 GLY HA2 H 22 3.750 3.962 -0.212 1
1 273 . 1 1 1 A 22 22 GLY HA3 H 22 4.030 3.963 0.067 1
1 274 . 1 1 1 A 22 22 GLY C C 22 176.200 175.527 0.673 1
1 275 . 1 1 1 A 22 22 GLY CA C 22 47.300 45.967 1.333 1
1 276 . 1 1 1 A 22 22 GLY N N 22 108.600 110.797 -2.197 1
1 277 . 1 1 1 A 23 23 ALA H H 23 8.480 8.378 0.102 1
1 278 . 1 1 1 A 23 23 ALA HA H 23 4.080 3.970 0.110 1
1 282 . 1 1 1 A 23 23 ALA C C 23 180.100 179.366 0.734 1
1 283 . 1 1 1 A 23 23 ALA CA C 23 54.700 54.704 -0.004 1
1 284 . 1 1 1 A 23 23 ALA CB C 23 18.400 18.718 -0.318 1
1 285 . 1 1 1 A 23 23 ALA N N 23 123.300 124.463 -1.163 1
1 286 . 1 1 1 A 24 24 LEU H H 24 7.830 8.136 -0.306 1
1 287 . 1 1 1 A 24 24 LEU HA H 24 4.120 4.084 0.036 1
1 297 . 1 1 1 A 24 24 LEU C C 24 178.600 178.986 -0.386 1
1 298 . 1 1 1 A 24 24 LEU CA C 24 57.800 57.587 0.213 1
1 299 . 1 1 1 A 24 24 LEU CB C 24 41.100 41.879 -0.779 1
1 303 . 1 1 1 A 24 24 LEU N N 24 120.400 120.745 -0.345 1
1 304 . 1 1 1 A 25 25 LYS H H 25 7.960 8.200 -0.240 1
1 305 . 1 1 1 A 25 25 LYS HA H 25 3.750 3.861 -0.111 1
1 314 . 1 1 1 A 25 25 LYS C C 25 178.300 179.046 -0.746 1
1 315 . 1 1 1 A 25 25 LYS CA C 25 60.400 60.351 0.049 1
1 316 . 1 1 1 A 25 25 LYS CB C 25 32.000 32.078 -0.078 1
1 320 . 1 1 1 A 25 25 LYS N N 25 118.000 119.011 -1.011 1
1 321 . 1 1 1 A 26 26 ARG H H 26 7.890 8.054 -0.164 1
1 322 . 1 1 1 A 26 26 ARG HA H 26 3.970 3.926 0.044 1
1 329 . 1 1 1 A 26 26 ARG C C 26 177.700 178.652 -0.952 1
1 330 . 1 1 1 A 26 26 ARG CA C 26 58.700 59.372 -0.672 1
1 331 . 1 1 1 A 26 26 ARG CB C 26 30.000 29.574 0.426 1
1 334 . 1 1 1 A 26 26 ARG N N 26 117.100 120.236 -3.136 1
1 335 . 1 1 1 A 27 27 ARG H H 27 7.660 7.328 0.332 1
1 336 . 1 1 1 A 27 27 ARG HA H 27 4.100 4.091 0.009 1
1 343 . 1 1 1 A 27 27 ARG C C 27 179.000 178.827 0.173 1
1 344 . 1 1 1 A 27 27 ARG CA C 27 59.100 58.520 0.580 1
1 345 . 1 1 1 A 27 27 ARG CB C 27 29.800 30.015 -0.215 1
1 348 . 1 1 1 A 27 27 ARG N N 27 118.600 119.782 -1.182 1
1 349 . 1 1 1 A 28 28 ILE H H 28 7.970 8.361 -0.391 1
1 350 . 1 1 1 A 28 28 ILE HA H 28 3.740 3.604 0.136 1
1 360 . 1 1 1 A 28 28 ILE C C 28 178.700 177.823 0.877 1
1 361 . 1 1 1 A 28 28 ILE CA C 28 64.800 65.128 -0.328 1
1 362 . 1 1 1 A 28 28 ILE CB C 28 38.100 37.840 0.260 1
1 366 . 1 1 1 A 28 28 ILE N N 28 119.400 119.820 -0.420 1
1 367 . 1 1 1 A 29 29 MET H H 29 8.420 8.473 -0.053 1
1 368 . 1 1 1 A 29 29 MET HA H 29 4.370 4.669 -0.299 1
1 376 . 1 1 1 A 29 29 MET C C 29 181.400 178.128 3.272 1
1 377 . 1 1 1 A 29 29 MET CA C 29 59.100 58.103 0.997 1
1 378 . 1 1 1 A 29 29 MET CB C 29 32.800 31.251 1.549 1
1 381 . 1 1 1 A 29 29 MET N N 29 119.900 118.497 1.403 1
1 382 . 1 1 1 A 30 30 ASP H H 30 8.650 8.468 0.182 1
1 383 . 1 1 1 A 30 30 ASP HA H 30 4.440 4.363 0.077 1
1 386 . 1 1 1 A 30 30 ASP C C 30 178.200 178.457 -0.257 1
1 387 . 1 1 1 A 30 30 ASP CA C 30 56.700 57.514 -0.814 1
1 388 . 1 1 1 A 30 30 ASP CB C 30 39.900 41.103 -1.203 1
1 389 . 1 1 1 A 30 30 ASP N N 30 121.800 120.802 0.998 1
1 390 . 1 1 1 A 31 31 MET H H 31 7.570 7.597 -0.027 1
1 391 . 1 1 1 A 31 31 MET HA H 31 4.290 4.424 -0.134 1
1 399 . 1 1 1 A 31 31 MET C C 31 175.700 175.961 -0.261 1
1 400 . 1 1 1 A 31 31 MET CA C 31 56.800 55.907 0.893 1
1 401 . 1 1 1 A 31 31 MET CB C 31 33.300 32.295 1.005 1
1 404 . 1 1 1 A 31 31 MET N N 31 117.500 116.294 1.206 1
1 405 . 1 1 1 A 32 32 GLY H H 32 7.990 7.876 0.114 1
1 406 . 1 1 1 A 32 32 GLY HA2 H 32 4.270 4.049 0.221 1
1 407 . 1 1 1 A 32 32 GLY HA3 H 32 3.630 4.052 -0.422 1
1 408 . 1 1 1 A 32 32 GLY C C 32 173.600 174.598 -0.998 1
1 409 . 1 1 1 A 32 32 GLY CA C 32 44.200 45.171 -0.971 1
1 410 . 1 1 1 A 32 32 GLY N N 32 104.400 105.206 -0.806 1
1 411 . 1 1 1 A 33 33 ILE H H 33 7.140 7.248 -0.108 1
1 412 . 1 1 1 A 33 33 ILE HA H 33 4.120 4.069 0.051 1
1 422 . 1 1 1 A 33 33 ILE C C 33 172.400 175.361 -2.961 1
1 423 . 1 1 1 A 33 33 ILE CA C 33 61.700 61.453 0.247 1
1 424 . 1 1 1 A 33 33 ILE CB C 33 37.200 37.213 -0.013 1
1 428 . 1 1 1 A 33 33 ILE N N 33 120.800 122.392 -1.592 1
1 429 . 1 1 1 A 34 34 THR H H 34 6.930 8.574 -1.644 1
1 430 . 1 1 1 A 34 34 THR HA H 34 4.590 5.145 -0.555 1
1 435 . 1 1 1 A 34 34 THR C C 34 174.400 173.563 0.837 1
1 436 . 1 1 1 A 34 34 THR CA C 34 58.300 59.304 -1.004 1
1 437 . 1 1 1 A 34 34 THR CB C 34 72.200 71.896 0.304 1
1 439 . 1 1 1 A 34 34 THR N N 34 113.300 117.507 -4.207 1
1 440 . 1 1 1 A 35 35 ARG H H 35 8.760 8.689 0.071 1
1 441 . 1 1 1 A 35 35 ARG HA H 35 3.520 3.955 -0.435 1
1 448 . 1 1 1 A 35 35 ARG C C 35 176.800 176.910 -0.110 1
1 449 . 1 1 1 A 35 35 ARG CA C 35 58.700 57.954 0.746 1
1 450 . 1 1 1 A 35 35 ARG CB C 35 29.700 29.557 0.143 1
1 453 . 1 1 1 A 35 35 ARG N N 35 121.300 122.452 -1.152 1
1 454 . 1 1 1 A 36 36 GLY H H 36 8.950 8.764 0.186 1
1 455 . 1 1 1 A 36 36 GLY HA2 H 36 4.460 4.045 0.415 1
1 456 . 1 1 1 A 36 36 GLY HA3 H 36 3.560 4.048 -0.488 1
1 457 . 1 1 1 A 36 36 GLY C C 36 173.900 174.670 -0.770 1
1 458 . 1 1 1 A 36 36 GLY CA C 36 44.700 45.083 -0.383 1
1 459 . 1 1 1 A 36 36 GLY N N 36 114.200 112.096 2.104 1
1 460 . 1 1 1 A 37 37 CYS H H 37 7.950 7.822 0.128 1
1 461 . 1 1 1 A 37 37 CYS HA H 37 4.550 4.510 0.040 1
1 464 . 1 1 1 A 37 37 CYS C C 37 172.900 174.783 -1.883 1
1 465 . 1 1 1 A 37 37 CYS CA C 37 59.200 59.406 -0.206 1
1 466 . 1 1 1 A 37 37 CYS CB C 37 28.000 28.550 -0.550 1
1 467 . 1 1 1 A 37 37 CYS N N 37 118.400 119.999 -1.599 1
1 468 . 1 1 1 A 38 38 GLU H H 38 8.540 8.517 0.023 1
1 469 . 1 1 1 A 38 38 GLU HA H 38 5.160 4.592 0.568 1
1 474 . 1 1 1 A 38 38 GLU C C 38 176.000 176.238 -0.238 1
1 475 . 1 1 1 A 38 38 GLU CA C 38 55.300 55.948 -0.648 1
1 476 . 1 1 1 A 38 38 GLU CB C 38 31.500 30.393 1.107 1
1 478 . 1 1 1 A 38 38 GLU N N 38 123.100 122.744 0.356 1
1 479 . 1 1 1 A 39 39 ILE H H 39 9.360 9.586 -0.226 1
1 480 . 1 1 1 A 39 39 ILE HA H 39 4.600 4.721 -0.121 1
1 490 . 1 1 1 A 39 39 ILE C C 39 173.700 174.245 -0.545 1
1 491 . 1 1 1 A 39 39 ILE CA C 39 60.500 60.423 0.077 1
1 492 . 1 1 1 A 39 39 ILE CB C 39 41.300 40.517 0.783 1
1 496 . 1 1 1 A 39 39 ILE N N 39 124.000 124.727 -0.727 1
1 497 . 1 1 1 A 40 40 TYR H H 40 8.540 8.703 -0.163 1
1 498 . 1 1 1 A 40 40 TYR HA H 40 5.340 4.817 0.523 1
1 505 . 1 1 1 A 40 40 TYR C C 40 175.000 174.673 0.327 1
1 506 . 1 1 1 A 40 40 TYR CA C 40 55.900 56.566 -0.666 1
1 507 . 1 1 1 A 40 40 TYR CB C 40 40.900 39.457 1.443 1
1 510 . 1 1 1 A 40 40 TYR N N 40 127.000 128.979 -1.979 1
1 511 . 1 1 1 A 41 41 ILE H H 41 7.850 8.452 -0.602 1
1 512 . 1 1 1 A 41 41 ILE HA H 41 3.910 4.072 -0.162 1
1 522 . 1 1 1 A 41 41 ILE C C 41 173.600 175.522 -1.922 1
1 523 . 1 1 1 A 41 41 ILE CA C 41 61.500 62.334 -0.834 1
1 524 . 1 1 1 A 41 41 ILE CB C 41 35.800 37.034 -1.234 1
1 528 . 1 1 1 A 41 41 ILE N N 41 127.800 128.641 -0.841 1
1 529 . 1 1 1 A 42 42 ARG H H 42 8.460 9.060 -0.600 1
1 530 . 1 1 1 A 42 42 ARG HA H 42 4.110 4.529 -0.419 1
1 537 . 1 1 1 A 42 42 ARG C C 42 176.500 176.491 0.009 1
1 538 . 1 1 1 A 42 42 ARG CA C 42 57.700 57.687 0.013 1
1 539 . 1 1 1 A 42 42 ARG CB C 42 31.400 31.260 0.140 1
1 542 . 1 1 1 A 42 42 ARG N N 42 128.100 128.297 -0.197 1
1 543 . 1 1 1 A 43 43 LYS H H 43 7.920 7.731 0.189 1
1 544 . 1 1 1 A 43 43 LYS HA H 43 4.530 4.823 -0.293 1
1 553 . 1 1 1 A 43 43 LYS C C 43 173.100 173.941 -0.841 1
1 554 . 1 1 1 A 43 43 LYS CA C 43 56.400 55.653 0.747 1
1 555 . 1 1 1 A 43 43 LYS CB C 43 36.100 35.902 0.198 1
1 559 . 1 1 1 A 43 43 LYS N N 43 116.400 117.899 -1.499 1
1 560 . 1 1 1 A 44 44 VAL H H 44 8.450 9.087 -0.637 1
1 561 . 1 1 1 A 44 44 VAL HA H 44 4.260 4.701 -0.441 1
1 569 . 1 1 1 A 44 44 VAL C C 44 175.000 175.494 -0.494 1
1 570 . 1 1 1 A 44 44 VAL CA C 44 61.500 60.887 0.613 1
1 571 . 1 1 1 A 44 44 VAL CB C 44 34.200 33.354 0.846 1
1 574 . 1 1 1 A 44 44 VAL N N 44 123.900 127.116 -3.216 1
1 575 . 1 1 1 A 45 45 ALA H H 45 7.550 8.240 -0.690 1
1 576 . 1 1 1 A 45 45 ALA HA H 45 4.480 4.467 0.013 1
1 580 . 1 1 1 A 45 45 ALA CA C 45 51.500 50.564 0.936 1
1 581 . 1 1 1 A 45 45 ALA CB C 45 17.600 17.878 -0.278 1
1 582 . 1 1 1 A 45 45 ALA N N 45 129.600 130.519 -0.919 1
1 583 . 1 1 1 A 46 46 PRO HA H 46 4.290 4.378 -0.088 1
1 590 . 1 1 1 A 46 46 PRO C C 46 177.800 178.076 -0.276 1
1 591 . 1 1 1 A 46 46 PRO CA C 46 65.500 64.360 1.140 1
1 592 . 1 1 1 A 46 46 PRO CB C 46 31.600 31.915 -0.315 1
1 595 . 1 1 1 A 47 47 LEU H H 47 8.330 7.802 0.528 1
1 596 . 1 1 1 A 47 47 LEU HA H 47 4.330 4.299 0.031 1
1 606 . 1 1 1 A 47 47 LEU C C 47 178.000 177.085 0.915 1
1 607 . 1 1 1 A 47 47 LEU CA C 47 55.300 55.197 0.103 1
1 608 . 1 1 1 A 47 47 LEU CB C 47 40.300 42.476 -2.176 1
1 612 . 1 1 1 A 47 47 LEU N N 47 115.100 116.444 -1.344 1
1 613 . 1 1 1 A 48 48 GLY H H 48 8.420 9.499 -1.079 1
1 614 . 1 1 1 A 48 48 GLY HA2 H 48 4.090 3.939 0.151 1
1 615 . 1 1 1 A 48 48 GLY HA3 H 48 3.490 3.940 -0.450 1
1 616 . 1 1 1 A 48 48 GLY C C 48 171.900 172.881 -0.981 1
1 617 . 1 1 1 A 48 48 GLY CA C 48 45.500 45.374 0.126 1
1 618 . 1 1 1 A 48 48 GLY N N 48 107.400 106.053 1.347 1
1 619 . 1 1 1 A 49 49 ASP H H 49 6.850 7.812 -0.962 1
1 620 . 1 1 1 A 49 49 ASP HA H 49 5.050 5.076 -0.026 1
1 623 . 1 1 1 A 49 49 ASP CA C 49 50.200 50.543 -0.343 1
1 624 . 1 1 1 A 49 49 ASP CB C 49 45.300 44.432 0.868 1
1 625 . 1 1 1 A 49 49 ASP N N 49 116.000 121.205 -5.205 1
1 626 . 1 1 1 A 50 50 PRO HA H 50 5.450 4.694 0.756 1
1 633 . 1 1 1 A 50 50 PRO C C 50 174.900 175.484 -0.584 1
1 634 . 1 1 1 A 50 50 PRO CA C 50 63.900 62.192 1.708 1
1 635 . 1 1 1 A 50 50 PRO CB C 50 35.600 32.953 2.647 1
1 638 . 1 1 1 A 51 51 ILE H H 51 8.980 8.492 0.488 1
1 639 . 1 1 1 A 51 51 ILE HA H 51 4.400 4.495 -0.095 1
1 649 . 1 1 1 A 51 51 ILE C C 51 174.500 175.402 -0.902 1
1 650 . 1 1 1 A 51 51 ILE CA C 51 61.100 60.300 0.800 1
1 651 . 1 1 1 A 51 51 ILE CB C 51 40.900 39.205 1.695 1
1 655 . 1 1 1 A 51 51 ILE N N 51 118.100 120.415 -2.315 1
1 656 . 1 1 1 A 52 52 GLN H H 52 9.060 9.352 -0.292 1
1 657 . 1 1 1 A 52 52 GLN HA H 52 5.160 5.081 0.079 1
1 664 . 1 1 1 A 52 52 GLN C C 52 175.800 175.783 0.017 1
1 665 . 1 1 1 A 52 52 GLN CA C 52 54.900 55.795 -0.895 1
1 666 . 1 1 1 A 52 52 GLN CB C 52 29.600 29.545 0.055 1
1 668 . 1 1 1 A 52 52 GLN N N 52 126.100 126.813 -0.713 1
1 670 . 1 1 1 A 53 53 ILE H H 53 9.080 9.373 -0.293 1
1 671 . 1 1 1 A 53 53 ILE HA H 53 5.440 4.976 0.464 1
1 681 . 1 1 1 A 53 53 ILE C C 53 174.000 173.690 0.310 1
1 682 . 1 1 1 A 53 53 ILE CA C 53 58.700 58.899 -0.199 1
1 683 . 1 1 1 A 53 53 ILE CB C 53 41.500 42.442 -0.942 1
1 687 . 1 1 1 A 53 53 ILE N N 53 117.600 119.273 -1.673 1
1 688 . 1 1 1 A 54 54 ASN H H 54 9.360 8.838 0.522 1
1 689 . 1 1 1 A 54 54 ASN HA H 54 5.840 5.648 0.192 1
1 694 . 1 1 1 A 54 54 ASN C C 54 174.800 174.335 0.465 1
1 695 . 1 1 1 A 54 54 ASN CA C 54 52.300 51.912 0.388 1
1 696 . 1 1 1 A 54 54 ASN CB C 54 42.200 40.492 1.708 1
1 697 . 1 1 1 A 54 54 ASN N N 54 120.100 121.983 -1.883 1
1 699 . 1 1 1 A 55 55 VAL H H 55 8.900 9.232 -0.332 1
1 700 . 1 1 1 A 55 55 VAL HA H 55 4.480 4.581 -0.101 1
1 708 . 1 1 1 A 55 55 VAL C C 55 174.400 175.838 -1.438 1
1 709 . 1 1 1 A 55 55 VAL CA C 55 60.800 61.190 -0.390 1
1 710 . 1 1 1 A 55 55 VAL CB C 55 34.300 34.403 -0.103 1
1 713 . 1 1 1 A 55 55 VAL N N 55 124.400 126.200 -1.800 1
1 714 . 1 1 1 A 56 56 ARG H H 56 9.680 9.574 0.106 1
1 715 . 1 1 1 A 56 56 ARG HA H 56 3.880 4.017 -0.137 1
1 722 . 1 1 1 A 56 56 ARG C C 56 175.000 176.149 -1.149 1
1 723 . 1 1 1 A 56 56 ARG CA C 56 57.200 57.329 -0.129 1
1 724 . 1 1 1 A 56 56 ARG CB C 56 28.400 28.341 0.059 1
1 727 . 1 1 1 A 56 56 ARG N N 56 125.100 128.028 -2.928 1
1 728 . 1 1 1 A 57 57 GLY H H 57 8.130 8.387 -0.257 1
1 729 . 1 1 1 A 57 57 GLY HA2 H 57 4.130 3.602 0.528 1
1 730 . 1 1 1 A 57 57 GLY HA3 H 57 3.610 3.750 -0.140 1
1 731 . 1 1 1 A 57 57 GLY C C 57 174.300 173.282 1.018 1
1 732 . 1 1 1 A 57 57 GLY CA C 57 45.300 45.082 0.218 1
1 733 . 1 1 1 A 57 57 GLY N N 57 103.500 105.766 -2.266 1
1 734 . 1 1 1 A 58 58 TYR H H 58 8.180 8.068 0.112 1
1 735 . 1 1 1 A 58 58 TYR HA H 58 4.750 4.599 0.151 1
1 742 . 1 1 1 A 58 58 TYR C C 58 174.500 174.588 -0.088 1
1 743 . 1 1 1 A 58 58 TYR CA C 58 56.600 58.063 -1.463 1
1 744 . 1 1 1 A 58 58 TYR CB C 58 39.500 40.048 -0.548 1
1 747 . 1 1 1 A 58 58 TYR N N 58 121.300 119.826 1.474 1
1 748 . 1 1 1 A 59 59 GLU H H 59 8.480 9.091 -0.611 1
1 749 . 1 1 1 A 59 59 GLU HA H 59 5.120 5.162 -0.042 1
1 754 . 1 1 1 A 59 59 GLU C C 59 178.400 175.804 2.596 1
1 755 . 1 1 1 A 59 59 GLU CA C 59 55.200 55.338 -0.138 1
1 756 . 1 1 1 A 59 59 GLU CB C 59 30.400 31.315 -0.915 1
1 758 . 1 1 1 A 59 59 GLU N N 59 122.400 125.221 -2.821 1
1 759 . 1 1 1 A 60 60 LEU H H 60 8.900 9.234 -0.334 1
1 760 . 1 1 1 A 60 60 LEU HA H 60 4.830 5.195 -0.365 1
1 770 . 1 1 1 A 60 60 LEU C C 60 175.100 175.281 -0.181 1
1 771 . 1 1 1 A 60 60 LEU CA C 60 53.800 53.120 0.680 1
1 772 . 1 1 1 A 60 60 LEU CB C 60 46.200 46.048 0.152 1
1 776 . 1 1 1 A 60 60 LEU N N 60 124.600 123.058 1.542 1
1 777 . 1 1 1 A 61 61 SER H H 61 8.390 8.692 -0.302 1
1 778 . 1 1 1 A 61 61 SER HA H 61 5.150 5.167 -0.017 1
1 781 . 1 1 1 A 61 61 SER C C 61 173.300 172.679 0.621 1
1 782 . 1 1 1 A 61 61 SER CA C 61 56.600 57.990 -1.390 1
1 783 . 1 1 1 A 61 61 SER CB C 61 63.900 64.302 -0.402 1
1 784 . 1 1 1 A 61 61 SER N N 61 116.100 116.355 -0.255 1
1 785 . 1 1 1 A 62 62 LEU H H 62 9.190 9.531 -0.341 1
1 786 . 1 1 1 A 62 62 LEU HA H 62 4.700 5.062 -0.362 1
1 796 . 1 1 1 A 62 62 LEU C C 62 175.800 176.174 -0.374 1
1 797 . 1 1 1 A 62 62 LEU CA C 62 53.000 53.545 -0.545 1
1 798 . 1 1 1 A 62 62 LEU CB C 62 45.900 44.819 1.081 1
1 802 . 1 1 1 A 62 62 LEU N N 62 126.800 129.582 -2.782 1
1 803 . 1 1 1 A 63 63 ARG H H 63 8.670 8.521 0.149 1
1 804 . 1 1 1 A 63 63 ARG HA H 63 4.640 4.423 0.217 1
1 811 . 1 1 1 A 63 63 ARG C C 63 176.000 177.264 -1.264 1
1 812 . 1 1 1 A 63 63 ARG CA C 63 53.700 56.904 -3.204 1
1 813 . 1 1 1 A 63 63 ARG CB C 63 29.100 30.884 -1.784 1
1 816 . 1 1 1 A 63 63 ARG N N 63 120.600 126.201 -5.601 1
1 817 . 1 1 1 A 64 64 LYS H H 64 8.900 9.885 -0.985 1
1 818 . 1 1 1 A 64 64 LYS HA H 64 3.800 3.869 -0.069 1
1 827 . 1 1 1 A 64 64 LYS C C 64 177.100 178.139 -1.039 1
1 828 . 1 1 1 A 64 64 LYS CA C 64 60.200 59.230 0.970 1
1 829 . 1 1 1 A 64 64 LYS CB C 64 32.300 32.054 0.246 1
1 833 . 1 1 1 A 64 64 LYS N N 64 124.600 127.959 -3.359 1
1 834 . 1 1 1 A 65 65 SER H H 65 8.380 7.998 0.382 1
1 835 . 1 1 1 A 65 65 SER HA H 65 4.130 4.062 0.068 1
1 838 . 1 1 1 A 65 65 SER C C 65 176.000 176.776 -0.776 1
1 839 . 1 1 1 A 65 65 SER CA C 65 60.300 62.022 -1.722 1
1 840 . 1 1 1 A 65 65 SER CB C 65 61.900 62.875 -0.975 1
1 841 . 1 1 1 A 65 65 SER N N 65 110.900 117.165 -6.265 1
1 842 . 1 1 1 A 66 66 ALA H H 66 6.910 7.676 -0.766 1
1 843 . 1 1 1 A 66 66 ALA HA H 66 4.290 4.194 0.096 1
1 847 . 1 1 1 A 66 66 ALA C C 66 178.800 179.366 -0.566 1
1 848 . 1 1 1 A 66 66 ALA CA C 66 54.000 54.740 -0.740 1
1 849 . 1 1 1 A 66 66 ALA CB C 66 18.800 18.551 0.249 1
1 850 . 1 1 1 A 66 66 ALA N N 66 122.600 123.666 -1.066 1
1 851 . 1 1 1 A 67 67 ALA H H 67 8.050 8.138 -0.088 1
1 852 . 1 1 1 A 67 67 ALA HA H 67 3.850 3.951 -0.101 1
1 856 . 1 1 1 A 67 67 ALA C C 67 178.800 180.236 -1.436 1
1 857 . 1 1 1 A 67 67 ALA CA C 67 54.900 55.208 -0.308 1
1 858 . 1 1 1 A 67 67 ALA CB C 67 18.700 18.380 0.320 1
1 859 . 1 1 1 A 67 67 ALA N N 67 118.800 119.826 -1.026 1
1 860 . 1 1 1 A 68 68 GLU H H 68 7.910 8.166 -0.256 1
1 861 . 1 1 1 A 68 68 GLU HA H 68 4.150 4.062 0.088 1
1 866 . 1 1 1 A 68 68 GLU C C 68 175.900 177.967 -2.067 1
1 867 . 1 1 1 A 68 68 GLU CA C 68 57.200 58.284 -1.084 1
1 868 . 1 1 1 A 68 68 GLU CB C 68 29.800 29.488 0.312 1
1 870 . 1 1 1 A 68 68 GLU N N 68 113.100 118.930 -5.830 1
1 871 . 1 1 1 A 69 69 MET H H 69 7.360 8.195 -0.835 1
1 872 . 1 1 1 A 69 69 MET HA H 69 4.590 4.611 -0.021 1
1 880 . 1 1 1 A 69 69 MET C C 69 174.400 176.072 -1.672 1
1 881 . 1 1 1 A 69 69 MET CA C 69 53.800 55.553 -1.753 1
1 882 . 1 1 1 A 69 69 MET CB C 69 32.400 33.923 -1.523 1
1 885 . 1 1 1 A 69 69 MET N N 69 114.100 117.709 -3.609 1
1 886 . 1 1 1 A 70 70 ILE H H 70 7.310 7.225 0.085 1
1 887 . 1 1 1 A 70 70 ILE HA H 70 4.260 4.045 0.215 1
1 897 . 1 1 1 A 70 70 ILE C C 70 174.100 175.262 -1.162 1
1 898 . 1 1 1 A 70 70 ILE CA C 70 60.900 61.989 -1.089 1
1 899 . 1 1 1 A 70 70 ILE CB C 70 38.700 38.358 0.342 1
1 903 . 1 1 1 A 70 70 ILE N N 70 120.300 121.612 -1.312 1
1 904 . 1 1 1 A 71 71 GLU H H 71 8.910 8.690 0.220 1
1 905 . 1 1 1 A 71 71 GLU HA H 71 4.750 4.967 -0.217 1
1 910 . 1 1 1 A 71 71 GLU C C 71 177.100 176.128 0.972 1
1 911 . 1 1 1 A 71 71 GLU CA C 71 55.900 55.371 0.529 1
1 912 . 1 1 1 A 71 71 GLU CB C 71 30.600 31.142 -0.542 1
1 914 . 1 1 1 A 71 71 GLU N N 71 129.500 127.661 1.839 1
1 915 . 1 1 1 A 72 72 VAL H H 72 8.880 9.066 -0.186 1
1 916 . 1 1 1 A 72 72 VAL HA H 72 5.520 5.350 0.170 1
1 924 . 1 1 1 A 72 72 VAL C C 72 173.200 174.685 -1.485 1
1 925 . 1 1 1 A 72 72 VAL CA C 72 58.500 58.848 -0.348 1
1 926 . 1 1 1 A 72 72 VAL CB C 72 36.200 36.087 0.113 1
1 929 . 1 1 1 A 72 72 VAL N N 72 119.400 121.020 -1.620 1
1 930 . 1 1 1 A 73 73 GLU H H 73 8.720 9.064 -0.344 1
1 931 . 1 1 1 A 73 73 GLU HA H 73 4.750 4.937 -0.187 1
1 936 . 1 1 1 A 73 73 GLU C C 73 175.300 175.302 -0.002 1
1 937 . 1 1 1 A 73 73 GLU CA C 73 54.000 54.517 -0.517 1
1 938 . 1 1 1 A 73 73 GLU CB C 73 33.300 33.325 -0.025 1
1 940 . 1 1 1 A 73 73 GLU N N 73 116.600 120.711 -4.111 1
1 941 . 1 1 1 A 74 74 LEU H H 74 8.780 8.490 0.290 1
1 942 . 1 1 1 A 74 74 LEU HA H 74 4.330 4.628 -0.298 1
1 952 . 1 1 1 A 74 74 LEU C C 74 176.400 175.438 0.962 1
1 953 . 1 1 1 A 74 74 LEU CA C 74 55.400 54.204 1.196 1
1 954 . 1 1 1 A 74 74 LEU CB C 74 42.600 42.258 0.342 1
1 958 . 1 1 1 A 74 74 LEU N N 74 124.100 126.393 -2.293 1
1 959 . 1 1 1 A 75 75 GLU H H 75 8.450 8.576 -0.126 1
1 960 . 1 1 1 A 75 75 GLU HA H 75 4.350 4.656 -0.306 1
1 965 . 1 1 1 A 75 75 GLU C C 75 175.700 175.305 0.395 1
1 966 . 1 1 1 A 75 75 GLU CA C 75 55.800 56.015 -0.215 1
1 967 . 1 1 1 A 75 75 GLU CB C 75 30.500 30.124 0.376 1
1 969 . 1 1 1 A 75 75 GLU N N 75 123.500 128.032 -4.532 1
1 970 . 1 1 1 A 76 76 HIS H H 76 8.500 8.840 -0.340 1
1 971 . 1 1 1 A 76 76 HIS HA H 76 4.590 5.162 -0.572 1
1 976 . 1 1 1 A 76 76 HIS C C 76 173.800 173.389 0.411 1
1 977 . 1 1 1 A 76 76 HIS CA C 76 55.700 53.404 2.296 1
1 978 . 1 1 1 A 76 76 HIS CB C 76 30.200 30.975 -0.775 1
1 981 . 1 1 1 A 76 76 HIS N N 76 120.800 128.185 -7.385 1
1 982 . 1 1 1 A 77 77 HIS H H 77 8.100 8.530 -0.430 1
1 983 . 1 1 1 A 77 77 HIS HA H 77 4.610 5.414 -0.804 1
1 988 . 1 1 1 A 77 77 HIS C C 77 180.000 174.251 5.749 1
1 989 . 1 1 1 A 77 77 HIS CA C 77 56.400 53.182 3.218 1
1 990 . 1 1 1 A 77 77 HIS CB C 77 29.900 33.070 -3.170 1
1 993 . 1 1 1 A 77 77 HIS N N 77 125.100 122.039 3.061 1
1 994 . 1 1 1 A 78 78 HIS H H 78 8.250 8.669 -0.419 1
1 995 . 1 1 1 A 78 78 HIS HA H 78 4.620 5.145 -0.525 1
1 1000 . 1 1 1 A 78 78 HIS C C 78 180.000 174.951 5.049 1
1 1001 . 1 1 1 A 78 78 HIS CA C 78 56.400 53.726 2.674 1
1 1002 . 1 1 1 A 78 78 HIS CB C 78 29.900 32.894 -2.994 1
1 1005 . 1 1 1 A 78 78 HIS N N 78 119.400 116.652 2.748 1
1 1006 . 1 1 1 A 79 79 HIS H H 79 8.250 9.117 -0.867 1
1 1007 . 1 1 1 A 79 79 HIS HA H 79 4.620 5.249 -0.629 1
1 1012 . 1 1 1 A 79 79 HIS C C 79 180.000 174.894 5.106 1
1 1013 . 1 1 1 A 79 79 HIS CA C 79 56.400 55.031 1.369 1
1 1014 . 1 1 1 A 79 79 HIS CB C 79 29.900 32.388 -2.488 1
1 1017 . 1 1 1 A 79 79 HIS N N 79 119.400 117.443 1.957 1
1 1018 . 1 1 1 A 80 80 HIS H H 80 8.250 8.947 -0.697 1
1 1019 . 1 1 1 A 80 80 HIS HA H 80 4.620 4.822 -0.202 1
1 1024 . 1 1 1 A 80 80 HIS C C 80 180.000 172.423 7.577 1
1 1025 . 1 1 1 A 80 80 HIS CA C 80 56.400 54.358 2.042 1
1 1026 . 1 1 1 A 80 80 HIS CB C 80 29.900 31.521 -1.621 1
1 1029 . 1 1 1 A 80 80 HIS N N 80 119.400 116.636 2.764 1
1 16 . 2 1 1 A 2 2 PHE H H 2 9.360 8.842 0.518 1
1 17 . 2 1 1 A 2 2 PHE HA H 2 4.960 5.318 -0.358 1
1 25 . 2 1 1 A 2 2 PHE C C 2 173.300 174.134 -0.834 1
1 26 . 2 1 1 A 2 2 PHE CA C 2 56.400 55.395 1.005 1
1 27 . 2 1 1 A 2 2 PHE CB C 2 38.500 41.376 -2.876 1
1 31 . 2 1 1 A 2 2 PHE N N 2 127.300 123.432 3.868 1
1 32 . 2 1 1 A 3 3 SER H H 3 9.150 9.054 0.096 1
1 33 . 2 1 1 A 3 3 SER HA H 3 5.590 5.104 0.486 1
1 36 . 2 1 1 A 3 3 SER C C 3 176.100 175.224 0.876 1
1 37 . 2 1 1 A 3 3 SER CA C 3 56.500 56.153 0.347 1
1 38 . 2 1 1 A 3 3 SER CB C 3 68.100 66.290 1.810 1
1 39 . 2 1 1 A 3 3 SER N N 3 124.000 119.205 4.795 1
1 40 . 2 1 1 A 4 4 LEU H H 4 8.540 8.374 0.166 1
1 41 . 2 1 1 A 4 4 LEU HA H 4 3.770 4.065 -0.295 1
1 51 . 2 1 1 A 4 4 LEU C C 4 177.200 177.917 -0.717 1
1 52 . 2 1 1 A 4 4 LEU CA C 4 57.300 57.642 -0.342 1
1 53 . 2 1 1 A 4 4 LEU CB C 4 41.600 41.788 -0.188 1
1 57 . 2 1 1 A 4 4 LEU N N 4 120.800 122.878 -2.078 1
1 58 . 2 1 1 A 5 5 ARG H H 5 7.150 7.905 -0.755 1
1 59 . 2 1 1 A 5 5 ARG HA H 5 3.830 3.941 -0.111 1
1 66 . 2 1 1 A 5 5 ARG C C 5 175.900 177.668 -1.768 1
1 67 . 2 1 1 A 5 5 ARG CA C 5 57.300 59.150 -1.850 1
1 68 . 2 1 1 A 5 5 ARG CB C 5 29.400 29.349 0.051 1
1 71 . 2 1 1 A 5 5 ARG N N 5 115.100 119.305 -4.205 1
1 72 . 2 1 1 A 6 6 ASP H H 6 7.600 7.615 -0.015 1
1 73 . 2 1 1 A 6 6 ASP HA H 6 4.490 4.485 0.005 1
1 76 . 2 1 1 A 6 6 ASP C C 6 175.700 175.965 -0.265 1
1 77 . 2 1 1 A 6 6 ASP CA C 6 54.700 54.913 -0.213 1
1 78 . 2 1 1 A 6 6 ASP CB C 6 42.000 40.922 1.078 1
1 79 . 2 1 1 A 6 6 ASP N N 6 117.000 116.855 0.145 1
1 80 . 2 1 1 A 7 7 ALA H H 7 6.990 7.318 -0.328 1
1 81 . 2 1 1 A 7 7 ALA HA H 7 4.390 4.487 -0.097 1
1 85 . 2 1 1 A 7 7 ALA C C 7 175.300 177.422 -2.122 1
1 86 . 2 1 1 A 7 7 ALA CA C 7 51.600 52.374 -0.774 1
1 87 . 2 1 1 A 7 7 ALA CB C 7 19.500 19.752 -0.252 1
1 88 . 2 1 1 A 7 7 ALA N N 7 122.200 121.597 0.603 1
1 89 . 2 1 1 A 8 8 LYS H H 8 8.270 8.519 -0.249 1
1 90 . 2 1 1 A 8 8 LYS HA H 8 4.480 4.709 -0.229 1
1 99 . 2 1 1 A 8 8 LYS C C 8 175.600 176.197 -0.597 1
1 100 . 2 1 1 A 8 8 LYS CA C 8 53.800 54.389 -0.589 1
1 101 . 2 1 1 A 8 8 LYS CB C 8 34.600 34.428 0.172 1
1 105 . 2 1 1 A 8 8 LYS N N 8 118.500 120.875 -2.375 1
1 106 . 2 1 1 A 9 9 CYS H H 9 8.400 8.631 -0.231 1
1 107 . 2 1 1 A 9 9 CYS HA H 9 3.630 4.429 -0.799 1
1 110 . 2 1 1 A 9 9 CYS C C 9 175.700 175.538 0.162 1
1 111 . 2 1 1 A 9 9 CYS CA C 9 60.300 60.499 -0.199 1
1 112 . 2 1 1 A 9 9 CYS CB C 9 26.700 27.169 -0.469 1
1 113 . 2 1 1 A 9 9 CYS N N 9 117.100 121.214 -4.114 1
1 114 . 2 1 1 A 10 10 GLY H H 10 8.950 8.804 0.146 1
1 115 . 2 1 1 A 10 10 GLY HA2 H 10 3.790 4.082 -0.292 1
1 116 . 2 1 1 A 10 10 GLY HA3 H 10 4.350 4.151 0.199 1
1 117 . 2 1 1 A 10 10 GLY C C 10 174.600 174.660 -0.060 1
1 118 . 2 1 1 A 10 10 GLY CA C 10 44.600 45.262 -0.662 1
1 119 . 2 1 1 A 10 10 GLY N N 10 114.200 114.225 -0.025 1
1 120 . 2 1 1 A 11 11 GLN H H 11 7.750 8.005 -0.255 1
1 121 . 2 1 1 A 11 11 GLN HA H 11 4.500 4.437 0.063 1
1 128 . 2 1 1 A 11 11 GLN C C 11 174.200 175.335 -1.135 1
1 129 . 2 1 1 A 11 11 GLN CA C 11 56.000 56.725 -0.725 1
1 130 . 2 1 1 A 11 11 GLN CB C 11 29.400 29.596 -0.196 1
1 132 . 2 1 1 A 11 11 GLN N N 11 118.900 120.922 -2.022 1
1 134 . 2 1 1 A 12 12 THR H H 12 8.380 8.873 -0.493 1
1 135 . 2 1 1 A 12 12 THR HA H 12 5.330 4.930 0.400 1
1 140 . 2 1 1 A 12 12 THR C C 12 174.100 174.389 -0.289 1
1 141 . 2 1 1 A 12 12 THR CA C 12 62.100 62.371 -0.271 1
1 142 . 2 1 1 A 12 12 THR CB C 12 69.600 69.458 0.142 1
1 144 . 2 1 1 A 12 12 THR N N 12 116.600 119.523 -2.923 1
1 145 . 2 1 1 A 13 13 VAL H H 13 9.190 9.534 -0.344 1
1 146 . 2 1 1 A 13 13 VAL HA H 13 5.140 5.264 -0.124 1
1 154 . 2 1 1 A 13 13 VAL C C 13 173.200 173.737 -0.537 1
1 155 . 2 1 1 A 13 13 VAL CA C 13 57.300 59.485 -2.185 1
1 156 . 2 1 1 A 13 13 VAL CB C 13 35.100 35.289 -0.189 1
1 159 . 2 1 1 A 13 13 VAL N N 13 117.500 121.581 -4.081 1
1 160 . 2 1 1 A 14 14 LYS H H 14 9.000 9.196 -0.196 1
1 161 . 2 1 1 A 14 14 LYS HA H 14 5.350 5.334 0.016 1
1 170 . 2 1 1 A 14 14 LYS C C 14 176.900 175.472 1.428 1
1 171 . 2 1 1 A 14 14 LYS CA C 14 53.800 54.571 -0.771 1
1 172 . 2 1 1 A 14 14 LYS CB C 14 35.500 36.107 -0.607 1
1 176 . 2 1 1 A 14 14 LYS N N 14 120.300 121.365 -1.065 1
1 177 . 2 1 1 A 15 15 VAL H H 15 8.620 8.741 -0.121 1
1 178 . 2 1 1 A 15 15 VAL HA H 15 3.880 4.068 -0.188 1
1 186 . 2 1 1 A 15 15 VAL C C 15 176.700 176.982 -0.282 1
1 187 . 2 1 1 A 15 15 VAL CA C 15 64.300 63.633 0.667 1
1 188 . 2 1 1 A 15 15 VAL CB C 15 31.500 31.723 -0.223 1
1 191 . 2 1 1 A 15 15 VAL N N 15 123.100 127.231 -4.131 1
1 192 . 2 1 1 A 16 16 VAL H H 16 9.580 9.256 0.324 1
1 193 . 2 1 1 A 16 16 VAL HA H 16 4.100 4.444 -0.344 1
1 201 . 2 1 1 A 16 16 VAL C C 16 175.300 175.757 -0.457 1
1 202 . 2 1 1 A 16 16 VAL CA C 16 63.400 62.108 1.292 1
1 203 . 2 1 1 A 16 16 VAL CB C 16 33.700 33.577 0.123 1
1 206 . 2 1 1 A 16 16 VAL N N 16 130.100 121.126 8.974 1
1 207 . 2 1 1 A 17 17 LYS H H 17 7.490 7.561 -0.071 1
1 208 . 2 1 1 A 17 17 LYS HA H 17 4.380 4.976 -0.596 1
1 217 . 2 1 1 A 17 17 LYS C C 17 172.900 174.070 -1.170 1
1 218 . 2 1 1 A 17 17 LYS CA C 17 56.200 55.652 0.548 1
1 219 . 2 1 1 A 17 17 LYS CB C 17 35.500 36.166 -0.666 1
1 223 . 2 1 1 A 17 17 LYS N N 17 116.800 121.545 -4.745 1
1 224 . 2 1 1 A 18 18 LEU H H 18 8.520 8.964 -0.444 1
1 225 . 2 1 1 A 18 18 LEU HA H 18 4.890 4.952 -0.062 1
1 235 . 2 1 1 A 18 18 LEU C C 18 175.600 176.646 -1.046 1
1 236 . 2 1 1 A 18 18 LEU CA C 18 53.800 53.115 0.685 1
1 237 . 2 1 1 A 18 18 LEU CB C 18 42.500 43.765 -1.265 1
1 241 . 2 1 1 A 18 18 LEU N N 18 124.100 126.407 -2.307 1
1 242 . 2 1 1 A 19 19 HIS H H 19 8.790 9.423 -0.633 1
1 243 . 2 1 1 A 19 19 HIS HA H 19 4.620 4.398 0.222 1
1 248 . 2 1 1 A 19 19 HIS C C 19 173.000 176.232 -3.232 1
1 249 . 2 1 1 A 19 19 HIS CA C 19 55.500 58.556 -3.056 1
1 250 . 2 1 1 A 19 19 HIS CB C 19 32.800 29.737 3.063 1
1 253 . 2 1 1 A 19 19 HIS N N 19 122.700 122.424 0.276 1
1 254 . 2 1 1 A 20 20 GLY H H 20 8.100 7.966 0.134 1
1 255 . 2 1 1 A 20 20 GLY HA2 H 20 3.920 3.850 0.070 1
1 256 . 2 1 1 A 20 20 GLY HA3 H 20 4.510 3.861 0.649 1
1 257 . 2 1 1 A 20 20 GLY C C 20 174.500 173.326 1.174 1
1 258 . 2 1 1 A 20 20 GLY CA C 20 44.200 45.888 -1.688 1
1 259 . 2 1 1 A 20 20 GLY N N 20 103.400 106.431 -3.031 1
1 260 . 2 1 1 A 21 21 THR H H 21 7.750 8.719 -0.969 1
1 261 . 2 1 1 A 21 21 THR HA H 21 4.450 4.094 0.356 1
1 266 . 2 1 1 A 21 21 THR C C 21 175.400 175.717 -0.317 1
1 267 . 2 1 1 A 21 21 THR CA C 21 60.800 63.923 -3.123 1
1 268 . 2 1 1 A 21 21 THR CB C 21 70.900 67.658 3.242 1
1 270 . 2 1 1 A 21 21 THR N N 21 108.600 119.493 -10.893 1
1 271 . 2 1 1 A 22 22 GLY H H 22 8.780 8.868 -0.088 1
1 272 . 2 1 1 A 22 22 GLY HA2 H 22 3.750 3.871 -0.121 1
1 273 . 2 1 1 A 22 22 GLY HA3 H 22 4.030 3.873 0.157 1
1 274 . 2 1 1 A 22 22 GLY C C 22 176.200 175.649 0.551 1
1 275 . 2 1 1 A 22 22 GLY CA C 22 47.300 47.279 0.021 1
1 276 . 2 1 1 A 22 22 GLY N N 22 108.600 116.985 -8.385 1
1 277 . 2 1 1 A 23 23 ALA H H 23 8.480 8.557 -0.077 1
1 278 . 2 1 1 A 23 23 ALA HA H 23 4.080 3.983 0.097 1
1 282 . 2 1 1 A 23 23 ALA C C 23 180.100 179.303 0.797 1
1 283 . 2 1 1 A 23 23 ALA CA C 23 54.700 54.934 -0.234 1
1 284 . 2 1 1 A 23 23 ALA CB C 23 18.400 18.556 -0.156 1
1 285 . 2 1 1 A 23 23 ALA N N 23 123.300 124.112 -0.812 1
1 286 . 2 1 1 A 24 24 LEU H H 24 7.830 7.964 -0.134 1
1 287 . 2 1 1 A 24 24 LEU HA H 24 4.120 4.129 -0.009 1
1 297 . 2 1 1 A 24 24 LEU C C 24 178.600 178.449 0.151 1
1 298 . 2 1 1 A 24 24 LEU CA C 24 57.800 56.658 1.142 1
1 299 . 2 1 1 A 24 24 LEU CB C 24 41.100 41.863 -0.763 1
1 303 . 2 1 1 A 24 24 LEU N N 24 120.400 119.269 1.131 1
1 304 . 2 1 1 A 25 25 LYS H H 25 7.960 8.528 -0.568 1
1 305 . 2 1 1 A 25 25 LYS HA H 25 3.750 4.051 -0.301 1
1 314 . 2 1 1 A 25 25 LYS C C 25 178.300 178.876 -0.576 1
1 315 . 2 1 1 A 25 25 LYS CA C 25 60.400 58.851 1.549 1
1 316 . 2 1 1 A 25 25 LYS CB C 25 32.000 31.742 0.258 1
1 320 . 2 1 1 A 25 25 LYS N N 25 118.000 117.479 0.521 1
1 321 . 2 1 1 A 26 26 ARG H H 26 7.890 8.227 -0.337 1
1 322 . 2 1 1 A 26 26 ARG HA H 26 3.970 4.047 -0.077 1
1 329 . 2 1 1 A 26 26 ARG C C 26 177.700 178.864 -1.164 1
1 330 . 2 1 1 A 26 26 ARG CA C 26 58.700 59.292 -0.592 1
1 331 . 2 1 1 A 26 26 ARG CB C 26 30.000 29.728 0.272 1
1 334 . 2 1 1 A 26 26 ARG N N 26 117.100 119.646 -2.546 1
1 335 . 2 1 1 A 27 27 ARG H H 27 7.660 7.741 -0.081 1
1 336 . 2 1 1 A 27 27 ARG HA H 27 4.100 4.079 0.021 1
1 343 . 2 1 1 A 27 27 ARG C C 27 179.000 178.719 0.281 1
1 344 . 2 1 1 A 27 27 ARG CA C 27 59.100 58.576 0.524 1
1 345 . 2 1 1 A 27 27 ARG CB C 27 29.800 29.871 -0.071 1
1 348 . 2 1 1 A 27 27 ARG N N 27 118.600 119.792 -1.192 1
1 349 . 2 1 1 A 28 28 ILE H H 28 7.970 7.981 -0.011 1
1 350 . 2 1 1 A 28 28 ILE HA H 28 3.740 3.692 0.048 1
1 360 . 2 1 1 A 28 28 ILE C C 28 178.700 178.153 0.547 1
1 361 . 2 1 1 A 28 28 ILE CA C 28 64.800 64.936 -0.136 1
1 362 . 2 1 1 A 28 28 ILE CB C 28 38.100 37.593 0.507 1
1 366 . 2 1 1 A 28 28 ILE N N 28 119.400 119.821 -0.421 1
1 367 . 2 1 1 A 29 29 MET H H 29 8.420 7.696 0.724 1
1 368 . 2 1 1 A 29 29 MET HA H 29 4.370 4.533 -0.163 1
1 376 . 2 1 1 A 29 29 MET C C 29 181.400 178.500 2.900 1
1 377 . 2 1 1 A 29 29 MET CA C 29 59.100 58.089 1.011 1
1 378 . 2 1 1 A 29 29 MET CB C 29 32.800 31.352 1.448 1
1 381 . 2 1 1 A 29 29 MET N N 29 119.900 118.566 1.334 1
1 382 . 2 1 1 A 30 30 ASP H H 30 8.650 7.884 0.766 1
1 383 . 2 1 1 A 30 30 ASP HA H 30 4.440 4.444 -0.004 1
1 386 . 2 1 1 A 30 30 ASP C C 30 178.200 177.980 0.220 1
1 387 . 2 1 1 A 30 30 ASP CA C 30 56.700 56.981 -0.281 1
1 388 . 2 1 1 A 30 30 ASP CB C 30 39.900 40.404 -0.504 1
1 389 . 2 1 1 A 30 30 ASP N N 30 121.800 119.598 2.202 1
1 390 . 2 1 1 A 31 31 MET H H 31 7.570 7.608 -0.038 1
1 391 . 2 1 1 A 31 31 MET HA H 31 4.290 4.435 -0.145 1
1 399 . 2 1 1 A 31 31 MET C C 31 175.700 176.102 -0.402 1
1 400 . 2 1 1 A 31 31 MET CA C 31 56.800 55.795 1.005 1
1 401 . 2 1 1 A 31 31 MET CB C 31 33.300 33.025 0.275 1
1 404 . 2 1 1 A 31 31 MET N N 31 117.500 116.041 1.459 1
1 405 . 2 1 1 A 32 32 GLY H H 32 7.990 7.850 0.140 1
1 406 . 2 1 1 A 32 32 GLY HA2 H 32 4.270 4.037 0.233 1
1 407 . 2 1 1 A 32 32 GLY HA3 H 32 3.630 4.037 -0.407 1
1 408 . 2 1 1 A 32 32 GLY C C 32 173.600 174.085 -0.485 1
1 409 . 2 1 1 A 32 32 GLY CA C 32 44.200 44.849 -0.649 1
1 410 . 2 1 1 A 32 32 GLY N N 32 104.400 105.509 -1.109 1
1 411 . 2 1 1 A 33 33 ILE H H 33 7.140 7.616 -0.476 1
1 412 . 2 1 1 A 33 33 ILE HA H 33 4.120 4.256 -0.136 1
1 422 . 2 1 1 A 33 33 ILE C C 33 172.400 174.678 -2.278 1
1 423 . 2 1 1 A 33 33 ILE CA C 33 61.700 60.929 0.771 1
1 424 . 2 1 1 A 33 33 ILE CB C 33 37.200 38.845 -1.645 1
1 428 . 2 1 1 A 33 33 ILE N N 33 120.800 122.620 -1.820 1
1 429 . 2 1 1 A 34 34 THR H H 34 6.930 8.913 -1.983 1
1 430 . 2 1 1 A 34 34 THR HA H 34 4.590 5.012 -0.422 1
1 435 . 2 1 1 A 34 34 THR C C 34 174.400 172.931 1.469 1
1 436 . 2 1 1 A 34 34 THR CA C 34 58.300 59.360 -1.060 1
1 437 . 2 1 1 A 34 34 THR CB C 34 72.200 71.830 0.370 1
1 439 . 2 1 1 A 34 34 THR N N 34 113.300 120.231 -6.931 1
1 440 . 2 1 1 A 35 35 ARG H H 35 8.760 8.548 0.212 1
1 441 . 2 1 1 A 35 35 ARG HA H 35 3.520 4.136 -0.616 1
1 448 . 2 1 1 A 35 35 ARG C C 35 176.800 176.678 0.122 1
1 449 . 2 1 1 A 35 35 ARG CA C 35 58.700 56.456 2.244 1
1 450 . 2 1 1 A 35 35 ARG CB C 35 29.700 30.183 -0.483 1
1 453 . 2 1 1 A 35 35 ARG N N 35 121.300 123.559 -2.259 1
1 454 . 2 1 1 A 36 36 GLY H H 36 8.950 9.221 -0.271 1
1 455 . 2 1 1 A 36 36 GLY HA2 H 36 4.460 4.016 0.444 1
1 456 . 2 1 1 A 36 36 GLY HA3 H 36 3.560 4.017 -0.457 1
1 457 . 2 1 1 A 36 36 GLY C C 36 173.900 174.690 -0.790 1
1 458 . 2 1 1 A 36 36 GLY CA C 36 44.700 45.032 -0.332 1
1 459 . 2 1 1 A 36 36 GLY N N 36 114.200 111.045 3.155 1
1 460 . 2 1 1 A 37 37 CYS H H 37 7.950 7.615 0.335 1
1 461 . 2 1 1 A 37 37 CYS HA H 37 4.550 4.687 -0.137 1
1 464 . 2 1 1 A 37 37 CYS C C 37 172.900 174.402 -1.502 1
1 465 . 2 1 1 A 37 37 CYS CA C 37 59.200 59.167 0.033 1
1 466 . 2 1 1 A 37 37 CYS CB C 37 28.000 29.160 -1.160 1
1 467 . 2 1 1 A 37 37 CYS N N 37 118.400 119.381 -0.981 1
1 468 . 2 1 1 A 38 38 GLU H H 38 8.540 8.586 -0.046 1
1 469 . 2 1 1 A 38 38 GLU HA H 38 5.160 5.178 -0.018 1
1 474 . 2 1 1 A 38 38 GLU C C 38 176.000 175.706 0.294 1
1 475 . 2 1 1 A 38 38 GLU CA C 38 55.300 55.771 -0.471 1
1 476 . 2 1 1 A 38 38 GLU CB C 38 31.500 31.148 0.352 1
1 478 . 2 1 1 A 38 38 GLU N N 38 123.100 122.509 0.591 1
1 479 . 2 1 1 A 39 39 ILE H H 39 9.360 9.568 -0.208 1
1 480 . 2 1 1 A 39 39 ILE HA H 39 4.600 4.907 -0.307 1
1 490 . 2 1 1 A 39 39 ILE C C 39 173.700 174.692 -0.992 1
1 491 . 2 1 1 A 39 39 ILE CA C 39 60.500 60.324 0.176 1
1 492 . 2 1 1 A 39 39 ILE CB C 39 41.300 40.578 0.722 1
1 496 . 2 1 1 A 39 39 ILE N N 39 124.000 124.671 -0.671 1
1 497 . 2 1 1 A 40 40 TYR H H 40 8.540 8.999 -0.459 1
1 498 . 2 1 1 A 40 40 TYR HA H 40 5.340 6.243 -0.903 1
1 505 . 2 1 1 A 40 40 TYR C C 40 175.000 174.918 0.082 1
1 506 . 2 1 1 A 40 40 TYR CA C 40 55.900 55.271 0.629 1
1 507 . 2 1 1 A 40 40 TYR CB C 40 40.900 41.652 -0.752 1
1 510 . 2 1 1 A 40 40 TYR N N 40 127.000 124.434 2.566 1
1 511 . 2 1 1 A 41 41 ILE H H 41 7.850 8.689 -0.839 1
1 512 . 2 1 1 A 41 41 ILE HA H 41 3.910 4.021 -0.111 1
1 522 . 2 1 1 A 41 41 ILE C C 41 173.600 176.217 -2.617 1
1 523 . 2 1 1 A 41 41 ILE CA C 41 61.500 61.987 -0.487 1
1 524 . 2 1 1 A 41 41 ILE CB C 41 35.800 38.136 -2.336 1
1 528 . 2 1 1 A 41 41 ILE N N 41 127.800 124.620 3.180 1
1 529 . 2 1 1 A 42 42 ARG H H 42 8.460 9.359 -0.899 1
1 530 . 2 1 1 A 42 42 ARG HA H 42 4.110 4.287 -0.177 1
1 537 . 2 1 1 A 42 42 ARG C C 42 176.500 175.282 1.218 1
1 538 . 2 1 1 A 42 42 ARG CA C 42 57.700 57.542 0.158 1
1 539 . 2 1 1 A 42 42 ARG CB C 42 31.400 31.243 0.157 1
1 542 . 2 1 1 A 42 42 ARG N N 42 128.100 128.300 -0.200 1
1 543 . 2 1 1 A 43 43 LYS H H 43 7.920 7.678 0.242 1
1 544 . 2 1 1 A 43 43 LYS HA H 43 4.530 4.809 -0.279 1
1 553 . 2 1 1 A 43 43 LYS C C 43 173.100 174.767 -1.667 1
1 554 . 2 1 1 A 43 43 LYS CA C 43 56.400 55.206 1.194 1
1 555 . 2 1 1 A 43 43 LYS CB C 43 36.100 36.483 -0.383 1
1 559 . 2 1 1 A 43 43 LYS N N 43 116.400 116.736 -0.336 1
1 560 . 2 1 1 A 44 44 VAL H H 44 8.450 8.768 -0.318 1
1 561 . 2 1 1 A 44 44 VAL HA H 44 4.260 4.568 -0.308 1
1 569 . 2 1 1 A 44 44 VAL C C 44 175.000 175.380 -0.380 1
1 570 . 2 1 1 A 44 44 VAL CA C 44 61.500 61.124 0.376 1
1 571 . 2 1 1 A 44 44 VAL CB C 44 34.200 33.267 0.933 1
1 574 . 2 1 1 A 44 44 VAL N N 44 123.900 123.316 0.584 1
1 575 . 2 1 1 A 45 45 ALA H H 45 7.550 8.187 -0.637 1
1 576 . 2 1 1 A 45 45 ALA HA H 45 4.480 4.413 0.067 1
1 580 . 2 1 1 A 45 45 ALA CA C 45 51.500 50.582 0.918 1
1 581 . 2 1 1 A 45 45 ALA CB C 45 17.600 17.852 -0.252 1
1 582 . 2 1 1 A 45 45 ALA N N 45 129.600 130.856 -1.256 1
1 583 . 2 1 1 A 46 46 PRO HA H 46 4.290 4.518 -0.228 1
1 590 . 2 1 1 A 46 46 PRO C C 46 177.800 177.562 0.238 1
1 591 . 2 1 1 A 46 46 PRO CA C 46 65.500 64.226 1.274 1
1 592 . 2 1 1 A 46 46 PRO CB C 46 31.600 31.741 -0.141 1
1 595 . 2 1 1 A 47 47 LEU H H 47 8.330 7.784 0.546 1
1 596 . 2 1 1 A 47 47 LEU HA H 47 4.330 4.352 -0.022 1
1 606 . 2 1 1 A 47 47 LEU C C 47 178.000 177.139 0.861 1
1 607 . 2 1 1 A 47 47 LEU CA C 47 55.300 55.151 0.149 1
1 608 . 2 1 1 A 47 47 LEU CB C 47 40.300 42.434 -2.134 1
1 612 . 2 1 1 A 47 47 LEU N N 47 115.100 116.664 -1.564 1
1 613 . 2 1 1 A 48 48 GLY H H 48 8.420 8.947 -0.527 1
1 614 . 2 1 1 A 48 48 GLY HA2 H 48 4.090 3.975 0.115 1
1 615 . 2 1 1 A 48 48 GLY HA3 H 48 3.490 3.977 -0.487 1
1 616 . 2 1 1 A 48 48 GLY C C 48 171.900 173.106 -1.206 1
1 617 . 2 1 1 A 48 48 GLY CA C 48 45.500 45.175 0.325 1
1 618 . 2 1 1 A 48 48 GLY N N 48 107.400 105.927 1.473 1
1 619 . 2 1 1 A 49 49 ASP H H 49 6.850 7.720 -0.870 1
1 620 . 2 1 1 A 49 49 ASP HA H 49 5.050 5.188 -0.138 1
1 623 . 2 1 1 A 49 49 ASP CA C 49 50.200 51.652 -1.452 1
1 624 . 2 1 1 A 49 49 ASP CB C 49 45.300 42.819 2.481 1
1 625 . 2 1 1 A 49 49 ASP N N 49 116.000 115.967 0.033 1
1 626 . 2 1 1 A 50 50 PRO HA H 50 5.450 4.641 0.809 1
1 633 . 2 1 1 A 50 50 PRO C C 50 174.900 175.331 -0.431 1
1 634 . 2 1 1 A 50 50 PRO CA C 50 63.900 62.360 1.540 1
1 635 . 2 1 1 A 50 50 PRO CB C 50 35.600 32.626 2.974 1
1 638 . 2 1 1 A 51 51 ILE H H 51 8.980 8.853 0.127 1
1 639 . 2 1 1 A 51 51 ILE HA H 51 4.400 4.446 -0.046 1
1 649 . 2 1 1 A 51 51 ILE C C 51 174.500 175.339 -0.839 1
1 650 . 2 1 1 A 51 51 ILE CA C 51 61.100 60.310 0.790 1
1 651 . 2 1 1 A 51 51 ILE CB C 51 40.900 38.594 2.306 1
1 655 . 2 1 1 A 51 51 ILE N N 51 118.100 121.867 -3.767 1
1 656 . 2 1 1 A 52 52 GLN H H 52 9.060 9.224 -0.164 1
1 657 . 2 1 1 A 52 52 GLN HA H 52 5.160 4.844 0.316 1
1 664 . 2 1 1 A 52 52 GLN C C 52 175.800 175.664 0.136 1
1 665 . 2 1 1 A 52 52 GLN CA C 52 54.900 55.807 -0.907 1
1 666 . 2 1 1 A 52 52 GLN CB C 52 29.600 29.793 -0.193 1
1 668 . 2 1 1 A 52 52 GLN N N 52 126.100 126.826 -0.726 1
1 670 . 2 1 1 A 53 53 ILE H H 53 9.080 9.063 0.017 1
1 671 . 2 1 1 A 53 53 ILE HA H 53 5.440 4.961 0.479 1
1 681 . 2 1 1 A 53 53 ILE C C 53 174.000 173.625 0.375 1
1 682 . 2 1 1 A 53 53 ILE CA C 53 58.700 58.644 0.056 1
1 683 . 2 1 1 A 53 53 ILE CB C 53 41.500 41.441 0.059 1
1 687 . 2 1 1 A 53 53 ILE N N 53 117.600 119.229 -1.629 1
1 688 . 2 1 1 A 54 54 ASN H H 54 9.360 8.422 0.938 1
1 689 . 2 1 1 A 54 54 ASN HA H 54 5.840 5.567 0.273 1
1 694 . 2 1 1 A 54 54 ASN C C 54 174.800 174.083 0.717 1
1 695 . 2 1 1 A 54 54 ASN CA C 54 52.300 51.612 0.688 1
1 696 . 2 1 1 A 54 54 ASN CB C 54 42.200 40.518 1.682 1
1 697 . 2 1 1 A 54 54 ASN N N 54 120.100 121.854 -1.754 1
1 699 . 2 1 1 A 55 55 VAL H H 55 8.900 8.695 0.205 1
1 700 . 2 1 1 A 55 55 VAL HA H 55 4.480 4.564 -0.084 1
1 708 . 2 1 1 A 55 55 VAL C C 55 174.400 175.679 -1.279 1
1 709 . 2 1 1 A 55 55 VAL CA C 55 60.800 61.018 -0.218 1
1 710 . 2 1 1 A 55 55 VAL CB C 55 34.300 34.742 -0.442 1
1 713 . 2 1 1 A 55 55 VAL N N 55 124.400 126.012 -1.612 1
1 714 . 2 1 1 A 56 56 ARG H H 56 9.680 9.505 0.175 1
1 715 . 2 1 1 A 56 56 ARG HA H 56 3.880 4.028 -0.148 1
1 722 . 2 1 1 A 56 56 ARG C C 56 175.000 176.319 -1.319 1
1 723 . 2 1 1 A 56 56 ARG CA C 56 57.200 57.347 -0.147 1
1 724 . 2 1 1 A 56 56 ARG CB C 56 28.400 28.288 0.112 1
1 727 . 2 1 1 A 56 56 ARG N N 56 125.100 127.289 -2.189 1
1 728 . 2 1 1 A 57 57 GLY H H 57 8.130 8.496 -0.366 1
1 729 . 2 1 1 A 57 57 GLY HA2 H 57 4.130 3.634 0.496 1
1 730 . 2 1 1 A 57 57 GLY HA3 H 57 3.610 3.758 -0.148 1
1 731 . 2 1 1 A 57 57 GLY C C 57 174.300 173.439 0.861 1
1 732 . 2 1 1 A 57 57 GLY CA C 57 45.300 45.163 0.137 1
1 733 . 2 1 1 A 57 57 GLY N N 57 103.500 105.523 -2.023 1
1 734 . 2 1 1 A 58 58 TYR H H 58 8.180 8.132 0.048 1
1 735 . 2 1 1 A 58 58 TYR HA H 58 4.750 4.521 0.229 1
1 742 . 2 1 1 A 58 58 TYR C C 58 174.500 174.978 -0.478 1
1 743 . 2 1 1 A 58 58 TYR CA C 58 56.600 57.927 -1.327 1
1 744 . 2 1 1 A 58 58 TYR CB C 58 39.500 40.175 -0.675 1
1 747 . 2 1 1 A 58 58 TYR N N 58 121.300 119.535 1.765 1
1 748 . 2 1 1 A 59 59 GLU H H 59 8.480 8.850 -0.370 1
1 749 . 2 1 1 A 59 59 GLU HA H 59 5.120 4.959 0.161 1
1 754 . 2 1 1 A 59 59 GLU C C 59 178.400 175.233 3.167 1
1 755 . 2 1 1 A 59 59 GLU CA C 59 55.200 55.352 -0.152 1
1 756 . 2 1 1 A 59 59 GLU CB C 59 30.400 30.776 -0.376 1
1 758 . 2 1 1 A 59 59 GLU N N 59 122.400 121.717 0.683 1
1 759 . 2 1 1 A 60 60 LEU H H 60 8.900 9.361 -0.461 1
1 760 . 2 1 1 A 60 60 LEU HA H 60 4.830 4.977 -0.147 1
1 770 . 2 1 1 A 60 60 LEU C C 60 175.100 175.539 -0.439 1
1 771 . 2 1 1 A 60 60 LEU CA C 60 53.800 53.334 0.466 1
1 772 . 2 1 1 A 60 60 LEU CB C 60 46.200 44.331 1.869 1
1 776 . 2 1 1 A 60 60 LEU N N 60 124.600 126.552 -1.952 1
1 777 . 2 1 1 A 61 61 SER H H 61 8.390 8.741 -0.351 1
1 778 . 2 1 1 A 61 61 SER HA H 61 5.150 4.813 0.337 1
1 781 . 2 1 1 A 61 61 SER C C 61 173.300 173.274 0.026 1
1 782 . 2 1 1 A 61 61 SER CA C 61 56.600 56.865 -0.265 1
1 783 . 2 1 1 A 61 61 SER CB C 61 63.900 63.597 0.303 1
1 784 . 2 1 1 A 61 61 SER N N 61 116.100 120.179 -4.079 1
1 785 . 2 1 1 A 62 62 LEU H H 62 9.190 9.356 -0.166 1
1 786 . 2 1 1 A 62 62 LEU HA H 62 4.700 5.035 -0.335 1
1 796 . 2 1 1 A 62 62 LEU C C 62 175.800 175.971 -0.171 1
1 797 . 2 1 1 A 62 62 LEU CA C 62 53.000 53.569 -0.569 1
1 798 . 2 1 1 A 62 62 LEU CB C 62 45.900 44.708 1.192 1
1 802 . 2 1 1 A 62 62 LEU N N 62 126.800 130.828 -4.028 1
1 803 . 2 1 1 A 63 63 ARG H H 63 8.670 8.580 0.090 1
1 804 . 2 1 1 A 63 63 ARG HA H 63 4.640 4.299 0.341 1
1 811 . 2 1 1 A 63 63 ARG C C 63 176.000 177.230 -1.230 1
1 812 . 2 1 1 A 63 63 ARG CA C 63 53.700 56.392 -2.692 1
1 813 . 2 1 1 A 63 63 ARG CB C 63 29.100 30.936 -1.836 1
1 816 . 2 1 1 A 63 63 ARG N N 63 120.600 126.336 -5.736 1
1 817 . 2 1 1 A 64 64 LYS H H 64 8.900 8.689 0.211 1
1 818 . 2 1 1 A 64 64 LYS HA H 64 3.800 4.020 -0.220 1
1 827 . 2 1 1 A 64 64 LYS C C 64 177.100 178.323 -1.223 1
1 828 . 2 1 1 A 64 64 LYS CA C 64 60.200 58.886 1.314 1
1 829 . 2 1 1 A 64 64 LYS CB C 64 32.300 31.933 0.367 1
1 833 . 2 1 1 A 64 64 LYS N N 64 124.600 124.690 -0.090 1
1 834 . 2 1 1 A 65 65 SER H H 65 8.380 8.009 0.371 1
1 835 . 2 1 1 A 65 65 SER HA H 65 4.130 4.239 -0.109 1
1 838 . 2 1 1 A 65 65 SER C C 65 176.000 176.682 -0.682 1
1 839 . 2 1 1 A 65 65 SER CA C 65 60.300 62.005 -1.705 1
1 840 . 2 1 1 A 65 65 SER CB C 65 61.900 62.805 -0.905 1
1 841 . 2 1 1 A 65 65 SER N N 65 110.900 117.562 -6.662 1
1 842 . 2 1 1 A 66 66 ALA H H 66 6.910 7.586 -0.676 1
1 843 . 2 1 1 A 66 66 ALA HA H 66 4.290 4.132 0.158 1
1 847 . 2 1 1 A 66 66 ALA C C 66 178.800 179.429 -0.629 1
1 848 . 2 1 1 A 66 66 ALA CA C 66 54.000 54.902 -0.902 1
1 849 . 2 1 1 A 66 66 ALA CB C 66 18.800 18.420 0.380 1
1 850 . 2 1 1 A 66 66 ALA N N 66 122.600 123.667 -1.067 1
1 851 . 2 1 1 A 67 67 ALA H H 67 8.050 7.962 0.088 1
1 852 . 2 1 1 A 67 67 ALA HA H 67 3.850 3.908 -0.058 1
1 856 . 2 1 1 A 67 67 ALA C C 67 178.800 180.039 -1.239 1
1 857 . 2 1 1 A 67 67 ALA CA C 67 54.900 55.269 -0.369 1
1 858 . 2 1 1 A 67 67 ALA CB C 67 18.700 18.249 0.451 1
1 859 . 2 1 1 A 67 67 ALA N N 67 118.800 120.709 -1.909 1
1 860 . 2 1 1 A 68 68 GLU H H 68 7.910 8.276 -0.366 1
1 861 . 2 1 1 A 68 68 GLU HA H 68 4.150 4.010 0.140 1
1 866 . 2 1 1 A 68 68 GLU C C 68 175.900 178.225 -2.325 1
1 867 . 2 1 1 A 68 68 GLU CA C 68 57.200 59.203 -2.003 1
1 868 . 2 1 1 A 68 68 GLU CB C 68 29.800 29.293 0.507 1
1 870 . 2 1 1 A 68 68 GLU N N 68 113.100 118.769 -5.669 1
1 871 . 2 1 1 A 69 69 MET H H 69 7.360 7.777 -0.417 1
1 872 . 2 1 1 A 69 69 MET HA H 69 4.590 4.468 0.122 1
1 880 . 2 1 1 A 69 69 MET C C 69 174.400 174.775 -0.375 1
1 881 . 2 1 1 A 69 69 MET CA C 69 53.800 54.708 -0.908 1
1 882 . 2 1 1 A 69 69 MET CB C 69 32.400 31.681 0.719 1
1 885 . 2 1 1 A 69 69 MET N N 69 114.100 116.530 -2.430 1
1 886 . 2 1 1 A 70 70 ILE H H 70 7.310 7.166 0.144 1
1 887 . 2 1 1 A 70 70 ILE HA H 70 4.260 4.185 0.075 1
1 897 . 2 1 1 A 70 70 ILE C C 70 174.100 174.497 -0.397 1
1 898 . 2 1 1 A 70 70 ILE CA C 70 60.900 60.784 0.116 1
1 899 . 2 1 1 A 70 70 ILE CB C 70 38.700 38.056 0.644 1
1 903 . 2 1 1 A 70 70 ILE N N 70 120.300 120.827 -0.527 1
1 904 . 2 1 1 A 71 71 GLU H H 71 8.910 8.882 0.028 1
1 905 . 2 1 1 A 71 71 GLU HA H 71 4.750 4.647 0.103 1
1 910 . 2 1 1 A 71 71 GLU C C 71 177.100 176.514 0.586 1
1 911 . 2 1 1 A 71 71 GLU CA C 71 55.900 55.936 -0.036 1
1 912 . 2 1 1 A 71 71 GLU CB C 71 30.600 30.390 0.210 1
1 914 . 2 1 1 A 71 71 GLU N N 71 129.500 128.352 1.148 1
1 915 . 2 1 1 A 72 72 VAL H H 72 8.880 8.572 0.308 1
1 916 . 2 1 1 A 72 72 VAL HA H 72 5.520 5.217 0.303 1
1 924 . 2 1 1 A 72 72 VAL C C 72 173.200 173.664 -0.464 1
1 925 . 2 1 1 A 72 72 VAL CA C 72 58.500 59.030 -0.530 1
1 926 . 2 1 1 A 72 72 VAL CB C 72 36.200 35.240 0.960 1
1 929 . 2 1 1 A 72 72 VAL N N 72 119.400 121.322 -1.922 1
1 930 . 2 1 1 A 73 73 GLU H H 73 8.720 9.176 -0.456 1
1 931 . 2 1 1 A 73 73 GLU HA H 73 4.750 5.123 -0.373 1
1 936 . 2 1 1 A 73 73 GLU C C 73 175.300 173.960 1.340 1
1 937 . 2 1 1 A 73 73 GLU CA C 73 54.000 54.581 -0.581 1
1 938 . 2 1 1 A 73 73 GLU CB C 73 33.300 33.173 0.127 1
1 940 . 2 1 1 A 73 73 GLU N N 73 116.600 121.949 -5.349 1
1 941 . 2 1 1 A 74 74 LEU H H 74 8.780 8.767 0.013 1
1 942 . 2 1 1 A 74 74 LEU HA H 74 4.330 4.973 -0.643 1
1 952 . 2 1 1 A 74 74 LEU C C 74 176.400 176.214 0.186 1
1 953 . 2 1 1 A 74 74 LEU CA C 74 55.400 53.646 1.754 1
1 954 . 2 1 1 A 74 74 LEU CB C 74 42.600 44.536 -1.936 1
1 958 . 2 1 1 A 74 74 LEU N N 74 124.100 128.594 -4.494 1
1 959 . 2 1 1 A 75 75 GLU H H 75 8.450 8.212 0.238 1
1 960 . 2 1 1 A 75 75 GLU HA H 75 4.350 3.922 0.428 1
1 965 . 2 1 1 A 75 75 GLU C C 75 175.700 176.871 -1.171 1
1 966 . 2 1 1 A 75 75 GLU CA C 75 55.800 57.980 -2.180 1
1 967 . 2 1 1 A 75 75 GLU CB C 75 30.500 29.388 1.112 1
1 969 . 2 1 1 A 75 75 GLU N N 75 123.500 126.228 -2.728 1
1 970 . 2 1 1 A 76 76 HIS H H 76 8.500 8.363 0.137 1
1 971 . 2 1 1 A 76 76 HIS HA H 76 4.590 3.961 0.629 1
1 976 . 2 1 1 A 76 76 HIS C C 76 173.800 173.848 -0.048 1
1 977 . 2 1 1 A 76 76 HIS CA C 76 55.700 56.337 -0.637 1
1 978 . 2 1 1 A 76 76 HIS CB C 76 30.200 27.342 2.858 1
1 981 . 2 1 1 A 76 76 HIS N N 76 120.800 118.944 1.856 1
1 982 . 2 1 1 A 77 77 HIS H H 77 8.100 7.327 0.773 1
1 983 . 2 1 1 A 77 77 HIS HA H 77 4.610 5.060 -0.450 1
1 988 . 2 1 1 A 77 77 HIS C C 77 180.000 175.170 4.830 1
1 989 . 2 1 1 A 77 77 HIS CA C 77 56.400 53.642 2.758 1
1 990 . 2 1 1 A 77 77 HIS CB C 77 29.900 32.218 -2.318 1
1 993 . 2 1 1 A 77 77 HIS N N 77 125.100 115.202 9.898 1
1 994 . 2 1 1 A 78 78 HIS H H 78 8.250 9.040 -0.790 1
1 995 . 2 1 1 A 78 78 HIS HA H 78 4.620 4.182 0.438 1
1 1000 . 2 1 1 A 78 78 HIS C C 78 180.000 174.915 5.085 1
1 1001 . 2 1 1 A 78 78 HIS CA C 78 56.400 56.846 -0.446 1
1 1002 . 2 1 1 A 78 78 HIS CB C 78 29.900 29.125 0.775 1
1 1005 . 2 1 1 A 78 78 HIS N N 78 119.400 119.064 0.336 1
1 1006 . 2 1 1 A 79 79 HIS H H 79 8.250 7.981 0.269 1
1 1007 . 2 1 1 A 79 79 HIS HA H 79 4.620 4.727 -0.107 1
1 1012 . 2 1 1 A 79 79 HIS C C 79 180.000 173.764 6.236 1
1 1013 . 2 1 1 A 79 79 HIS CA C 79 56.400 54.463 1.937 1
1 1014 . 2 1 1 A 79 79 HIS CB C 79 29.900 29.640 0.260 1
1 1017 . 2 1 1 A 79 79 HIS N N 79 119.400 119.378 0.022 1
1 1018 . 2 1 1 A 80 80 HIS H H 80 8.250 8.540 -0.290 1
1 1019 . 2 1 1 A 80 80 HIS HA H 80 4.620 5.011 -0.391 1
1 1024 . 2 1 1 A 80 80 HIS C C 80 180.000 173.189 6.811 1
1 1025 . 2 1 1 A 80 80 HIS CA C 80 56.400 54.167 2.233 1
1 1026 . 2 1 1 A 80 80 HIS CB C 80 29.900 30.567 -0.667 1
1 1029 . 2 1 1 A 80 80 HIS N N 80 119.400 128.208 -8.808 1
1 16 . 3 1 1 A 2 2 PHE H H 2 9.360 9.582 -0.222 1
1 17 . 3 1 1 A 2 2 PHE HA H 2 4.960 5.067 -0.107 1
1 25 . 3 1 1 A 2 2 PHE C C 2 173.300 174.739 -1.439 1
1 26 . 3 1 1 A 2 2 PHE CA C 2 56.400 56.181 0.219 1
1 27 . 3 1 1 A 2 2 PHE CB C 2 38.500 39.805 -1.305 1
1 31 . 3 1 1 A 2 2 PHE N N 2 127.300 128.518 -1.218 1
1 32 . 3 1 1 A 3 3 SER H H 3 9.150 8.405 0.745 1
1 33 . 3 1 1 A 3 3 SER HA H 3 5.590 5.587 0.003 1
1 36 . 3 1 1 A 3 3 SER C C 3 176.100 175.318 0.782 1
1 37 . 3 1 1 A 3 3 SER CA C 3 56.500 56.790 -0.290 1
1 38 . 3 1 1 A 3 3 SER CB C 3 68.100 65.786 2.314 1
1 39 . 3 1 1 A 3 3 SER N N 3 124.000 119.162 4.838 1
1 40 . 3 1 1 A 4 4 LEU H H 4 8.540 8.456 0.084 1
1 41 . 3 1 1 A 4 4 LEU HA H 4 3.770 4.154 -0.384 1
1 51 . 3 1 1 A 4 4 LEU C C 4 177.200 177.937 -0.737 1
1 52 . 3 1 1 A 4 4 LEU CA C 4 57.300 58.373 -1.073 1
1 53 . 3 1 1 A 4 4 LEU CB C 4 41.600 41.371 0.229 1
1 57 . 3 1 1 A 4 4 LEU N N 4 120.800 123.138 -2.338 1
1 58 . 3 1 1 A 5 5 ARG H H 5 7.150 7.987 -0.837 1
1 59 . 3 1 1 A 5 5 ARG HA H 5 3.830 3.954 -0.124 1
1 66 . 3 1 1 A 5 5 ARG C C 5 175.900 178.556 -2.656 1
1 67 . 3 1 1 A 5 5 ARG CA C 5 57.300 59.310 -2.010 1
1 68 . 3 1 1 A 5 5 ARG CB C 5 29.400 29.759 -0.359 1
1 71 . 3 1 1 A 5 5 ARG N N 5 115.100 119.477 -4.377 1
1 72 . 3 1 1 A 6 6 ASP H H 6 7.600 8.119 -0.519 1
1 73 . 3 1 1 A 6 6 ASP HA H 6 4.490 4.254 0.236 1
1 76 . 3 1 1 A 6 6 ASP C C 6 175.700 176.991 -1.291 1
1 77 . 3 1 1 A 6 6 ASP CA C 6 54.700 57.010 -2.310 1
1 78 . 3 1 1 A 6 6 ASP CB C 6 42.000 41.373 0.627 1
1 79 . 3 1 1 A 6 6 ASP N N 6 117.000 118.937 -1.937 1
1 80 . 3 1 1 A 7 7 ALA H H 7 6.990 7.582 -0.592 1
1 81 . 3 1 1 A 7 7 ALA HA H 7 4.390 4.330 0.060 1
1 85 . 3 1 1 A 7 7 ALA C C 7 175.300 177.215 -1.915 1
1 86 . 3 1 1 A 7 7 ALA CA C 7 51.600 52.460 -0.860 1
1 87 . 3 1 1 A 7 7 ALA CB C 7 19.500 19.833 -0.333 1
1 88 . 3 1 1 A 7 7 ALA N N 7 122.200 120.708 1.492 1
1 89 . 3 1 1 A 8 8 LYS H H 8 8.270 8.931 -0.661 1
1 90 . 3 1 1 A 8 8 LYS HA H 8 4.480 4.721 -0.241 1
1 99 . 3 1 1 A 8 8 LYS C C 8 175.600 176.343 -0.743 1
1 100 . 3 1 1 A 8 8 LYS CA C 8 53.800 54.309 -0.509 1
1 101 . 3 1 1 A 8 8 LYS CB C 8 34.600 35.062 -0.462 1
1 105 . 3 1 1 A 8 8 LYS N N 8 118.500 118.661 -0.161 1
1 106 . 3 1 1 A 9 9 CYS H H 9 8.400 8.615 -0.215 1
1 107 . 3 1 1 A 9 9 CYS HA H 9 3.630 3.983 -0.353 1
1 110 . 3 1 1 A 9 9 CYS C C 9 175.700 175.646 0.054 1
1 111 . 3 1 1 A 9 9 CYS CA C 9 60.300 60.823 -0.523 1
1 112 . 3 1 1 A 9 9 CYS CB C 9 26.700 27.520 -0.820 1
1 113 . 3 1 1 A 9 9 CYS N N 9 117.100 120.402 -3.302 1
1 114 . 3 1 1 A 10 10 GLY H H 10 8.950 8.953 -0.003 1
1 115 . 3 1 1 A 10 10 GLY HA2 H 10 3.790 3.977 -0.187 1
1 116 . 3 1 1 A 10 10 GLY HA3 H 10 4.350 3.995 0.355 1
1 117 . 3 1 1 A 10 10 GLY C C 10 174.600 173.802 0.798 1
1 118 . 3 1 1 A 10 10 GLY CA C 10 44.600 45.414 -0.814 1
1 119 . 3 1 1 A 10 10 GLY N N 10 114.200 112.584 1.616 1
1 120 . 3 1 1 A 11 11 GLN H H 11 7.750 7.210 0.540 1
1 121 . 3 1 1 A 11 11 GLN HA H 11 4.500 4.741 -0.241 1
1 128 . 3 1 1 A 11 11 GLN C C 11 174.200 175.075 -0.875 1
1 129 . 3 1 1 A 11 11 GLN CA C 11 56.000 54.230 1.770 1
1 130 . 3 1 1 A 11 11 GLN CB C 11 29.400 30.787 -1.387 1
1 132 . 3 1 1 A 11 11 GLN N N 11 118.900 119.554 -0.654 1
1 134 . 3 1 1 A 12 12 THR H H 12 8.380 8.748 -0.368 1
1 135 . 3 1 1 A 12 12 THR HA H 12 5.330 5.090 0.240 1
1 140 . 3 1 1 A 12 12 THR C C 12 174.100 174.447 -0.347 1
1 141 . 3 1 1 A 12 12 THR CA C 12 62.100 62.051 0.049 1
1 142 . 3 1 1 A 12 12 THR CB C 12 69.600 69.614 -0.014 1
1 144 . 3 1 1 A 12 12 THR N N 12 116.600 118.032 -1.432 1
1 145 . 3 1 1 A 13 13 VAL H H 13 9.190 9.313 -0.123 1
1 146 . 3 1 1 A 13 13 VAL HA H 13 5.140 5.334 -0.194 1
1 154 . 3 1 1 A 13 13 VAL C C 13 173.200 174.145 -0.945 1
1 155 . 3 1 1 A 13 13 VAL CA C 13 57.300 59.538 -2.238 1
1 156 . 3 1 1 A 13 13 VAL CB C 13 35.100 34.538 0.562 1
1 159 . 3 1 1 A 13 13 VAL N N 13 117.500 122.162 -4.662 1
1 160 . 3 1 1 A 14 14 LYS H H 14 9.000 9.493 -0.493 1
1 161 . 3 1 1 A 14 14 LYS HA H 14 5.350 4.898 0.452 1
1 170 . 3 1 1 A 14 14 LYS C C 14 176.900 176.023 0.877 1
1 171 . 3 1 1 A 14 14 LYS CA C 14 53.800 54.969 -1.169 1
1 172 . 3 1 1 A 14 14 LYS CB C 14 35.500 33.947 1.553 1
1 176 . 3 1 1 A 14 14 LYS N N 14 120.300 124.886 -4.586 1
1 177 . 3 1 1 A 15 15 VAL H H 15 8.620 9.178 -0.558 1
1 178 . 3 1 1 A 15 15 VAL HA H 15 3.880 4.057 -0.177 1
1 186 . 3 1 1 A 15 15 VAL C C 15 176.700 176.717 -0.017 1
1 187 . 3 1 1 A 15 15 VAL CA C 15 64.300 63.365 0.935 1
1 188 . 3 1 1 A 15 15 VAL CB C 15 31.500 31.090 0.410 1
1 191 . 3 1 1 A 15 15 VAL N N 15 123.100 127.137 -4.037 1
1 192 . 3 1 1 A 16 16 VAL H H 16 9.580 8.717 0.863 1
1 193 . 3 1 1 A 16 16 VAL HA H 16 4.100 4.396 -0.296 1
1 201 . 3 1 1 A 16 16 VAL C C 16 175.300 175.959 -0.659 1
1 202 . 3 1 1 A 16 16 VAL CA C 16 63.400 62.329 1.071 1
1 203 . 3 1 1 A 16 16 VAL CB C 16 33.700 33.371 0.329 1
1 206 . 3 1 1 A 16 16 VAL N N 16 130.100 121.910 8.190 1
1 207 . 3 1 1 A 17 17 LYS H H 17 7.490 7.609 -0.119 1
1 208 . 3 1 1 A 17 17 LYS HA H 17 4.380 4.715 -0.335 1
1 217 . 3 1 1 A 17 17 LYS C C 17 172.900 174.891 -1.991 1
1 218 . 3 1 1 A 17 17 LYS CA C 17 56.200 54.797 1.403 1
1 219 . 3 1 1 A 17 17 LYS CB C 17 35.500 36.849 -1.349 1
1 223 . 3 1 1 A 17 17 LYS N N 17 116.800 119.810 -3.010 1
1 224 . 3 1 1 A 18 18 LEU H H 18 8.520 8.761 -0.241 1
1 225 . 3 1 1 A 18 18 LEU HA H 18 4.890 4.846 0.044 1
1 235 . 3 1 1 A 18 18 LEU C C 18 175.600 176.139 -0.539 1
1 236 . 3 1 1 A 18 18 LEU CA C 18 53.800 53.363 0.437 1
1 237 . 3 1 1 A 18 18 LEU CB C 18 42.500 43.774 -1.274 1
1 241 . 3 1 1 A 18 18 LEU N N 18 124.100 121.560 2.540 1
1 242 . 3 1 1 A 19 19 HIS H H 19 8.790 8.256 0.534 1
1 243 . 3 1 1 A 19 19 HIS HA H 19 4.620 4.700 -0.080 1
1 248 . 3 1 1 A 19 19 HIS C C 19 173.000 175.566 -2.566 1
1 249 . 3 1 1 A 19 19 HIS CA C 19 55.500 56.871 -1.371 1
1 250 . 3 1 1 A 19 19 HIS CB C 19 32.800 29.761 3.039 1
1 253 . 3 1 1 A 19 19 HIS N N 19 122.700 123.056 -0.356 1
1 254 . 3 1 1 A 20 20 GLY H H 20 8.100 7.838 0.262 1
1 255 . 3 1 1 A 20 20 GLY HA2 H 20 3.920 4.019 -0.099 1
1 256 . 3 1 1 A 20 20 GLY HA3 H 20 4.510 4.031 0.479 1
1 257 . 3 1 1 A 20 20 GLY C C 20 174.500 173.749 0.751 1
1 258 . 3 1 1 A 20 20 GLY CA C 20 44.200 44.925 -0.725 1
1 259 . 3 1 1 A 20 20 GLY N N 20 103.400 107.290 -3.890 1
1 260 . 3 1 1 A 21 21 THR H H 21 7.750 8.557 -0.807 1
1 261 . 3 1 1 A 21 21 THR HA H 21 4.450 4.533 -0.083 1
1 266 . 3 1 1 A 21 21 THR C C 21 175.400 176.359 -0.959 1
1 267 . 3 1 1 A 21 21 THR CA C 21 60.800 61.181 -0.381 1
1 268 . 3 1 1 A 21 21 THR CB C 21 70.900 71.139 -0.239 1
1 270 . 3 1 1 A 21 21 THR N N 21 108.600 112.459 -3.859 1
1 271 . 3 1 1 A 22 22 GLY H H 22 8.780 8.799 -0.019 1
1 272 . 3 1 1 A 22 22 GLY HA2 H 22 3.750 3.797 -0.047 1
1 273 . 3 1 1 A 22 22 GLY HA3 H 22 4.030 3.797 0.233 1
1 274 . 3 1 1 A 22 22 GLY C C 22 176.200 176.079 0.121 1
1 275 . 3 1 1 A 22 22 GLY CA C 22 47.300 47.361 -0.061 1
1 276 . 3 1 1 A 22 22 GLY N N 22 108.600 109.236 -0.636 1
1 277 . 3 1 1 A 23 23 ALA H H 23 8.480 8.019 0.461 1
1 278 . 3 1 1 A 23 23 ALA HA H 23 4.080 3.954 0.126 1
1 282 . 3 1 1 A 23 23 ALA C C 23 180.100 179.761 0.339 1
1 283 . 3 1 1 A 23 23 ALA CA C 23 54.700 54.964 -0.264 1
1 284 . 3 1 1 A 23 23 ALA CB C 23 18.400 19.477 -1.077 1
1 285 . 3 1 1 A 23 23 ALA N N 23 123.300 125.184 -1.884 1
1 286 . 3 1 1 A 24 24 LEU H H 24 7.830 8.193 -0.363 1
1 287 . 3 1 1 A 24 24 LEU HA H 24 4.120 3.945 0.175 1
1 297 . 3 1 1 A 24 24 LEU C C 24 178.600 178.635 -0.035 1
1 298 . 3 1 1 A 24 24 LEU CA C 24 57.800 58.007 -0.207 1
1 299 . 3 1 1 A 24 24 LEU CB C 24 41.100 41.399 -0.299 1
1 303 . 3 1 1 A 24 24 LEU N N 24 120.400 118.562 1.838 1
1 304 . 3 1 1 A 25 25 LYS H H 25 7.960 8.839 -0.879 1
1 305 . 3 1 1 A 25 25 LYS HA H 25 3.750 3.864 -0.114 1
1 314 . 3 1 1 A 25 25 LYS C C 25 178.300 178.884 -0.584 1
1 315 . 3 1 1 A 25 25 LYS CA C 25 60.400 59.513 0.887 1
1 316 . 3 1 1 A 25 25 LYS CB C 25 32.000 32.692 -0.692 1
1 320 . 3 1 1 A 25 25 LYS N N 25 118.000 118.791 -0.791 1
1 321 . 3 1 1 A 26 26 ARG H H 26 7.890 8.014 -0.124 1
1 322 . 3 1 1 A 26 26 ARG HA H 26 3.970 3.908 0.062 1
1 329 . 3 1 1 A 26 26 ARG C C 26 177.700 178.740 -1.040 1
1 330 . 3 1 1 A 26 26 ARG CA C 26 58.700 59.593 -0.893 1
1 331 . 3 1 1 A 26 26 ARG CB C 26 30.000 30.076 -0.076 1
1 334 . 3 1 1 A 26 26 ARG N N 26 117.100 118.978 -1.878 1
1 335 . 3 1 1 A 27 27 ARG H H 27 7.660 7.377 0.283 1
1 336 . 3 1 1 A 27 27 ARG HA H 27 4.100 4.184 -0.084 1
1 343 . 3 1 1 A 27 27 ARG C C 27 179.000 178.725 0.275 1
1 344 . 3 1 1 A 27 27 ARG CA C 27 59.100 57.860 1.240 1
1 345 . 3 1 1 A 27 27 ARG CB C 27 29.800 29.972 -0.172 1
1 348 . 3 1 1 A 27 27 ARG N N 27 118.600 119.334 -0.734 1
1 349 . 3 1 1 A 28 28 ILE H H 28 7.970 8.261 -0.291 1
1 350 . 3 1 1 A 28 28 ILE HA H 28 3.740 3.661 0.079 1
1 360 . 3 1 1 A 28 28 ILE C C 28 178.700 178.333 0.367 1
1 361 . 3 1 1 A 28 28 ILE CA C 28 64.800 65.038 -0.238 1
1 362 . 3 1 1 A 28 28 ILE CB C 28 38.100 37.678 0.422 1
1 366 . 3 1 1 A 28 28 ILE N N 28 119.400 119.979 -0.579 1
1 367 . 3 1 1 A 29 29 MET H H 29 8.420 8.424 -0.004 1
1 368 . 3 1 1 A 29 29 MET HA H 29 4.370 4.604 -0.234 1
1 376 . 3 1 1 A 29 29 MET C C 29 181.400 178.016 3.384 1
1 377 . 3 1 1 A 29 29 MET CA C 29 59.100 58.040 1.060 1
1 378 . 3 1 1 A 29 29 MET CB C 29 32.800 31.260 1.540 1
1 381 . 3 1 1 A 29 29 MET N N 29 119.900 118.823 1.077 1
1 382 . 3 1 1 A 30 30 ASP H H 30 8.650 8.543 0.107 1
1 383 . 3 1 1 A 30 30 ASP HA H 30 4.440 4.412 0.028 1
1 386 . 3 1 1 A 30 30 ASP C C 30 178.200 178.576 -0.376 1
1 387 . 3 1 1 A 30 30 ASP CA C 30 56.700 57.262 -0.562 1
1 388 . 3 1 1 A 30 30 ASP CB C 30 39.900 41.404 -1.504 1
1 389 . 3 1 1 A 30 30 ASP N N 30 121.800 120.742 1.058 1
1 390 . 3 1 1 A 31 31 MET H H 31 7.570 7.586 -0.016 1
1 391 . 3 1 1 A 31 31 MET HA H 31 4.290 4.476 -0.186 1
1 399 . 3 1 1 A 31 31 MET C C 31 175.700 176.243 -0.543 1
1 400 . 3 1 1 A 31 31 MET CA C 31 56.800 55.780 1.020 1
1 401 . 3 1 1 A 31 31 MET CB C 31 33.300 32.846 0.454 1
1 404 . 3 1 1 A 31 31 MET N N 31 117.500 115.924 1.576 1
1 405 . 3 1 1 A 32 32 GLY H H 32 7.990 7.883 0.107 1
1 406 . 3 1 1 A 32 32 GLY HA2 H 32 4.270 4.028 0.242 1
1 407 . 3 1 1 A 32 32 GLY HA3 H 32 3.630 4.032 -0.402 1
1 408 . 3 1 1 A 32 32 GLY C C 32 173.600 174.570 -0.970 1
1 409 . 3 1 1 A 32 32 GLY CA C 32 44.200 44.827 -0.627 1
1 410 . 3 1 1 A 32 32 GLY N N 32 104.400 105.850 -1.450 1
1 411 . 3 1 1 A 33 33 ILE H H 33 7.140 7.611 -0.471 1
1 412 . 3 1 1 A 33 33 ILE HA H 33 4.120 4.278 -0.158 1
1 422 . 3 1 1 A 33 33 ILE C C 33 172.400 175.921 -3.521 1
1 423 . 3 1 1 A 33 33 ILE CA C 33 61.700 60.438 1.262 1
1 424 . 3 1 1 A 33 33 ILE CB C 33 37.200 36.403 0.797 1
1 428 . 3 1 1 A 33 33 ILE N N 33 120.800 122.649 -1.849 1
1 429 . 3 1 1 A 34 34 THR H H 34 6.930 8.804 -1.874 1
1 430 . 3 1 1 A 34 34 THR HA H 34 4.590 4.553 0.037 1
1 435 . 3 1 1 A 34 34 THR C C 34 174.400 174.688 -0.288 1
1 436 . 3 1 1 A 34 34 THR CA C 34 58.300 62.380 -4.080 1
1 437 . 3 1 1 A 34 34 THR CB C 34 72.200 70.041 2.159 1
1 439 . 3 1 1 A 34 34 THR N N 34 113.300 118.804 -5.504 1
1 440 . 3 1 1 A 35 35 ARG H H 35 8.760 7.771 0.989 1
1 441 . 3 1 1 A 35 35 ARG HA H 35 3.520 4.733 -1.213 1
1 448 . 3 1 1 A 35 35 ARG C C 35 176.800 175.433 1.367 1
1 449 . 3 1 1 A 35 35 ARG CA C 35 58.700 55.992 2.708 1
1 450 . 3 1 1 A 35 35 ARG CB C 35 29.700 33.099 -3.399 1
1 453 . 3 1 1 A 35 35 ARG N N 35 121.300 120.247 1.053 1
1 454 . 3 1 1 A 36 36 GLY H H 36 8.950 8.854 0.096 1
1 455 . 3 1 1 A 36 36 GLY HA2 H 36 4.460 3.977 0.483 1
1 456 . 3 1 1 A 36 36 GLY HA3 H 36 3.560 3.981 -0.421 1
1 457 . 3 1 1 A 36 36 GLY C C 36 173.900 174.345 -0.445 1
1 458 . 3 1 1 A 36 36 GLY CA C 36 44.700 45.218 -0.518 1
1 459 . 3 1 1 A 36 36 GLY N N 36 114.200 113.997 0.203 1
1 460 . 3 1 1 A 37 37 CYS H H 37 7.950 7.899 0.051 1
1 461 . 3 1 1 A 37 37 CYS HA H 37 4.550 4.475 0.075 1
1 464 . 3 1 1 A 37 37 CYS C C 37 172.900 174.397 -1.497 1
1 465 . 3 1 1 A 37 37 CYS CA C 37 59.200 59.487 -0.287 1
1 466 . 3 1 1 A 37 37 CYS CB C 37 28.000 28.467 -0.467 1
1 467 . 3 1 1 A 37 37 CYS N N 37 118.400 121.218 -2.818 1
1 468 . 3 1 1 A 38 38 GLU H H 38 8.540 8.854 -0.314 1
1 469 . 3 1 1 A 38 38 GLU HA H 38 5.160 5.235 -0.075 1
1 474 . 3 1 1 A 38 38 GLU C C 38 176.000 175.488 0.512 1
1 475 . 3 1 1 A 38 38 GLU CA C 38 55.300 55.238 0.062 1
1 476 . 3 1 1 A 38 38 GLU CB C 38 31.500 31.457 0.043 1
1 478 . 3 1 1 A 38 38 GLU N N 38 123.100 123.310 -0.210 1
1 479 . 3 1 1 A 39 39 ILE H H 39 9.360 9.931 -0.571 1
1 480 . 3 1 1 A 39 39 ILE HA H 39 4.600 4.688 -0.088 1
1 490 . 3 1 1 A 39 39 ILE C C 39 173.700 174.268 -0.568 1
1 491 . 3 1 1 A 39 39 ILE CA C 39 60.500 60.289 0.211 1
1 492 . 3 1 1 A 39 39 ILE CB C 39 41.300 39.730 1.570 1
1 496 . 3 1 1 A 39 39 ILE N N 39 124.000 126.129 -2.129 1
1 497 . 3 1 1 A 40 40 TYR H H 40 8.540 8.567 -0.027 1
1 498 . 3 1 1 A 40 40 TYR HA H 40 5.340 4.729 0.611 1
1 505 . 3 1 1 A 40 40 TYR C C 40 175.000 174.660 0.340 1
1 506 . 3 1 1 A 40 40 TYR CA C 40 55.900 56.647 -0.747 1
1 507 . 3 1 1 A 40 40 TYR CB C 40 40.900 39.255 1.645 1
1 510 . 3 1 1 A 40 40 TYR N N 40 127.000 128.661 -1.661 1
1 511 . 3 1 1 A 41 41 ILE H H 41 7.850 8.466 -0.616 1
1 512 . 3 1 1 A 41 41 ILE HA H 41 3.910 3.936 -0.026 1
1 522 . 3 1 1 A 41 41 ILE C C 41 173.600 175.516 -1.916 1
1 523 . 3 1 1 A 41 41 ILE CA C 41 61.500 62.181 -0.681 1
1 524 . 3 1 1 A 41 41 ILE CB C 41 35.800 36.728 -0.928 1
1 528 . 3 1 1 A 41 41 ILE N N 41 127.800 128.735 -0.935 1
1 529 . 3 1 1 A 42 42 ARG H H 42 8.460 8.798 -0.338 1
1 530 . 3 1 1 A 42 42 ARG HA H 42 4.110 3.928 0.182 1
1 537 . 3 1 1 A 42 42 ARG C C 42 176.500 175.583 0.917 1
1 538 . 3 1 1 A 42 42 ARG CA C 42 57.700 57.526 0.174 1
1 539 . 3 1 1 A 42 42 ARG CB C 42 31.400 31.358 0.042 1
1 542 . 3 1 1 A 42 42 ARG N N 42 128.100 129.872 -1.772 1
1 543 . 3 1 1 A 43 43 LYS H H 43 7.920 7.544 0.376 1
1 544 . 3 1 1 A 43 43 LYS HA H 43 4.530 4.636 -0.106 1
1 553 . 3 1 1 A 43 43 LYS C C 43 173.100 173.903 -0.803 1
1 554 . 3 1 1 A 43 43 LYS CA C 43 56.400 55.764 0.636 1
1 555 . 3 1 1 A 43 43 LYS CB C 43 36.100 35.646 0.454 1
1 559 . 3 1 1 A 43 43 LYS N N 43 116.400 118.352 -1.952 1
1 560 . 3 1 1 A 44 44 VAL H H 44 8.450 8.688 -0.238 1
1 561 . 3 1 1 A 44 44 VAL HA H 44 4.260 4.635 -0.375 1
1 569 . 3 1 1 A 44 44 VAL C C 44 175.000 175.958 -0.958 1
1 570 . 3 1 1 A 44 44 VAL CA C 44 61.500 61.256 0.244 1
1 571 . 3 1 1 A 44 44 VAL CB C 44 34.200 33.305 0.895 1
1 574 . 3 1 1 A 44 44 VAL N N 44 123.900 127.555 -3.655 1
1 575 . 3 1 1 A 45 45 ALA H H 45 7.550 8.043 -0.493 1
1 576 . 3 1 1 A 45 45 ALA HA H 45 4.480 4.492 -0.012 1
1 580 . 3 1 1 A 45 45 ALA CA C 45 51.500 50.572 0.928 1
1 581 . 3 1 1 A 45 45 ALA CB C 45 17.600 17.829 -0.229 1
1 582 . 3 1 1 A 45 45 ALA N N 45 129.600 130.175 -0.575 1
1 583 . 3 1 1 A 46 46 PRO HA H 46 4.290 4.405 -0.115 1
1 590 . 3 1 1 A 46 46 PRO C C 46 177.800 178.068 -0.268 1
1 591 . 3 1 1 A 46 46 PRO CA C 46 65.500 64.414 1.086 1
1 592 . 3 1 1 A 46 46 PRO CB C 46 31.600 31.908 -0.308 1
1 595 . 3 1 1 A 47 47 LEU H H 47 8.330 7.726 0.604 1
1 596 . 3 1 1 A 47 47 LEU HA H 47 4.330 4.204 0.126 1
1 606 . 3 1 1 A 47 47 LEU C C 47 178.000 176.884 1.116 1
1 607 . 3 1 1 A 47 47 LEU CA C 47 55.300 55.600 -0.300 1
1 608 . 3 1 1 A 47 47 LEU CB C 47 40.300 42.650 -2.350 1
1 612 . 3 1 1 A 47 47 LEU N N 47 115.100 116.387 -1.287 1
1 613 . 3 1 1 A 48 48 GLY H H 48 8.420 9.276 -0.856 1
1 614 . 3 1 1 A 48 48 GLY HA2 H 48 4.090 3.949 0.141 1
1 615 . 3 1 1 A 48 48 GLY HA3 H 48 3.490 3.951 -0.461 1
1 616 . 3 1 1 A 48 48 GLY C C 48 171.900 173.007 -1.107 1
1 617 . 3 1 1 A 48 48 GLY CA C 48 45.500 45.380 0.120 1
1 618 . 3 1 1 A 48 48 GLY N N 48 107.400 106.385 1.015 1
1 619 . 3 1 1 A 49 49 ASP H H 49 6.850 7.848 -0.998 1
1 620 . 3 1 1 A 49 49 ASP HA H 49 5.050 5.094 -0.044 1
1 623 . 3 1 1 A 49 49 ASP CA C 49 50.200 50.831 -0.631 1
1 624 . 3 1 1 A 49 49 ASP CB C 49 45.300 43.839 1.461 1
1 625 . 3 1 1 A 49 49 ASP N N 49 116.000 121.188 -5.188 1
1 626 . 3 1 1 A 50 50 PRO HA H 50 5.450 4.687 0.763 1
1 633 . 3 1 1 A 50 50 PRO C C 50 174.900 175.394 -0.494 1
1 634 . 3 1 1 A 50 50 PRO CA C 50 63.900 62.258 1.642 1
1 635 . 3 1 1 A 50 50 PRO CB C 50 35.600 33.135 2.465 1
1 638 . 3 1 1 A 51 51 ILE H H 51 8.980 8.949 0.031 1
1 639 . 3 1 1 A 51 51 ILE HA H 51 4.400 4.802 -0.402 1
1 649 . 3 1 1 A 51 51 ILE C C 51 174.500 175.114 -0.614 1
1 650 . 3 1 1 A 51 51 ILE CA C 51 61.100 59.596 1.504 1
1 651 . 3 1 1 A 51 51 ILE CB C 51 40.900 40.410 0.490 1
1 655 . 3 1 1 A 51 51 ILE N N 51 118.100 120.184 -2.084 1
1 656 . 3 1 1 A 52 52 GLN H H 52 9.060 9.003 0.057 1
1 657 . 3 1 1 A 52 52 GLN HA H 52 5.160 4.909 0.251 1
1 664 . 3 1 1 A 52 52 GLN C C 52 175.800 175.617 0.183 1
1 665 . 3 1 1 A 52 52 GLN CA C 52 54.900 55.429 -0.529 1
1 666 . 3 1 1 A 52 52 GLN CB C 52 29.600 29.535 0.065 1
1 668 . 3 1 1 A 52 52 GLN N N 52 126.100 126.559 -0.459 1
1 670 . 3 1 1 A 53 53 ILE H H 53 9.080 9.092 -0.012 1
1 671 . 3 1 1 A 53 53 ILE HA H 53 5.440 4.895 0.545 1
1 681 . 3 1 1 A 53 53 ILE C C 53 174.000 174.131 -0.131 1
1 682 . 3 1 1 A 53 53 ILE CA C 53 58.700 59.072 -0.372 1
1 683 . 3 1 1 A 53 53 ILE CB C 53 41.500 41.041 0.459 1
1 687 . 3 1 1 A 53 53 ILE N N 53 117.600 119.404 -1.804 1
1 688 . 3 1 1 A 54 54 ASN H H 54 9.360 9.210 0.150 1
1 689 . 3 1 1 A 54 54 ASN HA H 54 5.840 5.294 0.546 1
1 694 . 3 1 1 A 54 54 ASN C C 54 174.800 174.464 0.336 1
1 695 . 3 1 1 A 54 54 ASN CA C 54 52.300 52.295 0.005 1
1 696 . 3 1 1 A 54 54 ASN CB C 54 42.200 39.688 2.512 1
1 697 . 3 1 1 A 54 54 ASN N N 54 120.100 124.002 -3.902 1
1 699 . 3 1 1 A 55 55 VAL H H 55 8.900 9.199 -0.299 1
1 700 . 3 1 1 A 55 55 VAL HA H 55 4.480 4.605 -0.125 1
1 708 . 3 1 1 A 55 55 VAL C C 55 174.400 175.713 -1.313 1
1 709 . 3 1 1 A 55 55 VAL CA C 55 60.800 61.074 -0.274 1
1 710 . 3 1 1 A 55 55 VAL CB C 55 34.300 34.417 -0.117 1
1 713 . 3 1 1 A 55 55 VAL N N 55 124.400 126.118 -1.718 1
1 714 . 3 1 1 A 56 56 ARG H H 56 9.680 9.525 0.155 1
1 715 . 3 1 1 A 56 56 ARG HA H 56 3.880 4.010 -0.130 1
1 722 . 3 1 1 A 56 56 ARG C C 56 175.000 176.473 -1.473 1
1 723 . 3 1 1 A 56 56 ARG CA C 56 57.200 57.296 -0.096 1
1 724 . 3 1 1 A 56 56 ARG CB C 56 28.400 28.131 0.269 1
1 727 . 3 1 1 A 56 56 ARG N N 56 125.100 127.435 -2.335 1
1 728 . 3 1 1 A 57 57 GLY H H 57 8.130 8.720 -0.590 1
1 729 . 3 1 1 A 57 57 GLY HA2 H 57 4.130 3.855 0.275 1
1 730 . 3 1 1 A 57 57 GLY HA3 H 57 3.610 3.871 -0.261 1
1 731 . 3 1 1 A 57 57 GLY C C 57 174.300 173.269 1.031 1
1 732 . 3 1 1 A 57 57 GLY CA C 57 45.300 45.653 -0.353 1
1 733 . 3 1 1 A 57 57 GLY N N 57 103.500 105.039 -1.539 1
1 734 . 3 1 1 A 58 58 TYR H H 58 8.180 7.638 0.542 1
1 735 . 3 1 1 A 58 58 TYR HA H 58 4.750 4.952 -0.202 1
1 742 . 3 1 1 A 58 58 TYR C C 58 174.500 174.071 0.429 1
1 743 . 3 1 1 A 58 58 TYR CA C 58 56.600 56.739 -0.139 1
1 744 . 3 1 1 A 58 58 TYR CB C 58 39.500 42.290 -2.790 1
1 747 . 3 1 1 A 58 58 TYR N N 58 121.300 119.378 1.922 1
1 748 . 3 1 1 A 59 59 GLU H H 59 8.480 8.501 -0.021 1
1 749 . 3 1 1 A 59 59 GLU HA H 59 5.120 5.068 0.052 1
1 754 . 3 1 1 A 59 59 GLU C C 59 178.400 175.827 2.573 1
1 755 . 3 1 1 A 59 59 GLU CA C 59 55.200 55.973 -0.773 1
1 756 . 3 1 1 A 59 59 GLU CB C 59 30.400 29.980 0.420 1
1 758 . 3 1 1 A 59 59 GLU N N 59 122.400 124.086 -1.686 1
1 759 . 3 1 1 A 60 60 LEU H H 60 8.900 9.764 -0.864 1
1 760 . 3 1 1 A 60 60 LEU HA H 60 4.830 5.024 -0.194 1
1 770 . 3 1 1 A 60 60 LEU C C 60 175.100 176.350 -1.250 1
1 771 . 3 1 1 A 60 60 LEU CA C 60 53.800 53.610 0.190 1
1 772 . 3 1 1 A 60 60 LEU CB C 60 46.200 43.703 2.497 1
1 776 . 3 1 1 A 60 60 LEU N N 60 124.600 127.424 -2.824 1
1 777 . 3 1 1 A 61 61 SER H H 61 8.390 8.793 -0.403 1
1 778 . 3 1 1 A 61 61 SER HA H 61 5.150 4.989 0.161 1
1 781 . 3 1 1 A 61 61 SER C C 61 173.300 173.197 0.103 1
1 782 . 3 1 1 A 61 61 SER CA C 61 56.600 58.310 -1.710 1
1 783 . 3 1 1 A 61 61 SER CB C 61 63.900 63.637 0.263 1
1 784 . 3 1 1 A 61 61 SER N N 61 116.100 121.022 -4.922 1
1 785 . 3 1 1 A 62 62 LEU H H 62 9.190 9.397 -0.207 1
1 786 . 3 1 1 A 62 62 LEU HA H 62 4.700 5.065 -0.365 1
1 796 . 3 1 1 A 62 62 LEU C C 62 175.800 175.872 -0.072 1
1 797 . 3 1 1 A 62 62 LEU CA C 62 53.000 53.419 -0.419 1
1 798 . 3 1 1 A 62 62 LEU CB C 62 45.900 44.862 1.038 1
1 802 . 3 1 1 A 62 62 LEU N N 62 126.800 129.565 -2.765 1
1 803 . 3 1 1 A 63 63 ARG H H 63 8.670 8.827 -0.157 1
1 804 . 3 1 1 A 63 63 ARG HA H 63 4.640 4.475 0.165 1
1 811 . 3 1 1 A 63 63 ARG C C 63 176.000 177.683 -1.683 1
1 812 . 3 1 1 A 63 63 ARG CA C 63 53.700 56.170 -2.470 1
1 813 . 3 1 1 A 63 63 ARG CB C 63 29.100 31.138 -2.038 1
1 816 . 3 1 1 A 63 63 ARG N N 63 120.600 126.592 -5.992 1
1 817 . 3 1 1 A 64 64 LYS H H 64 8.900 8.629 0.271 1
1 818 . 3 1 1 A 64 64 LYS HA H 64 3.800 4.050 -0.250 1
1 827 . 3 1 1 A 64 64 LYS C C 64 177.100 178.500 -1.400 1
1 828 . 3 1 1 A 64 64 LYS CA C 64 60.200 58.845 1.355 1
1 829 . 3 1 1 A 64 64 LYS CB C 64 32.300 31.989 0.311 1
1 833 . 3 1 1 A 64 64 LYS N N 64 124.600 122.545 2.055 1
1 834 . 3 1 1 A 65 65 SER H H 65 8.380 8.049 0.331 1
1 835 . 3 1 1 A 65 65 SER HA H 65 4.130 4.104 0.026 1
1 838 . 3 1 1 A 65 65 SER C C 65 176.000 176.635 -0.635 1
1 839 . 3 1 1 A 65 65 SER CA C 65 60.300 62.020 -1.720 1
1 840 . 3 1 1 A 65 65 SER CB C 65 61.900 62.837 -0.937 1
1 841 . 3 1 1 A 65 65 SER N N 65 110.900 117.781 -6.881 1
1 842 . 3 1 1 A 66 66 ALA H H 66 6.910 7.476 -0.566 1
1 843 . 3 1 1 A 66 66 ALA HA H 66 4.290 4.168 0.122 1
1 847 . 3 1 1 A 66 66 ALA C C 66 178.800 179.327 -0.527 1
1 848 . 3 1 1 A 66 66 ALA CA C 66 54.000 54.944 -0.944 1
1 849 . 3 1 1 A 66 66 ALA CB C 66 18.800 18.434 0.366 1
1 850 . 3 1 1 A 66 66 ALA N N 66 122.600 123.659 -1.059 1
1 851 . 3 1 1 A 67 67 ALA H H 67 8.050 8.262 -0.212 1
1 852 . 3 1 1 A 67 67 ALA HA H 67 3.850 4.006 -0.156 1
1 856 . 3 1 1 A 67 67 ALA C C 67 178.800 179.235 -0.435 1
1 857 . 3 1 1 A 67 67 ALA CA C 67 54.900 55.173 -0.273 1
1 858 . 3 1 1 A 67 67 ALA CB C 67 18.700 18.171 0.529 1
1 859 . 3 1 1 A 67 67 ALA N N 67 118.800 119.931 -1.131 1
1 860 . 3 1 1 A 68 68 GLU H H 68 7.910 8.322 -0.412 1
1 861 . 3 1 1 A 68 68 GLU HA H 68 4.150 4.182 -0.032 1
1 866 . 3 1 1 A 68 68 GLU C C 68 175.900 176.857 -0.957 1
1 867 . 3 1 1 A 68 68 GLU CA C 68 57.200 57.395 -0.195 1
1 868 . 3 1 1 A 68 68 GLU CB C 68 29.800 29.495 0.305 1
1 870 . 3 1 1 A 68 68 GLU N N 68 113.100 116.484 -3.384 1
1 871 . 3 1 1 A 69 69 MET H H 69 7.360 8.389 -1.029 1
1 872 . 3 1 1 A 69 69 MET HA H 69 4.590 4.690 -0.100 1
1 880 . 3 1 1 A 69 69 MET C C 69 174.400 175.856 -1.456 1
1 881 . 3 1 1 A 69 69 MET CA C 69 53.800 55.383 -1.583 1
1 882 . 3 1 1 A 69 69 MET CB C 69 32.400 34.437 -2.037 1
1 885 . 3 1 1 A 69 69 MET N N 69 114.100 118.449 -4.349 1
1 886 . 3 1 1 A 70 70 ILE H H 70 7.310 7.329 -0.019 1
1 887 . 3 1 1 A 70 70 ILE HA H 70 4.260 4.136 0.124 1
1 897 . 3 1 1 A 70 70 ILE C C 70 174.100 175.273 -1.173 1
1 898 . 3 1 1 A 70 70 ILE CA C 70 60.900 61.661 -0.761 1
1 899 . 3 1 1 A 70 70 ILE CB C 70 38.700 38.641 0.059 1
1 903 . 3 1 1 A 70 70 ILE N N 70 120.300 121.646 -1.346 1
1 904 . 3 1 1 A 71 71 GLU H H 71 8.910 8.933 -0.023 1
1 905 . 3 1 1 A 71 71 GLU HA H 71 4.750 5.180 -0.430 1
1 910 . 3 1 1 A 71 71 GLU C C 71 177.100 176.240 0.860 1
1 911 . 3 1 1 A 71 71 GLU CA C 71 55.900 55.450 0.450 1
1 912 . 3 1 1 A 71 71 GLU CB C 71 30.600 31.108 -0.508 1
1 914 . 3 1 1 A 71 71 GLU N N 71 129.500 127.611 1.889 1
1 915 . 3 1 1 A 72 72 VAL H H 72 8.880 9.688 -0.808 1
1 916 . 3 1 1 A 72 72 VAL HA H 72 5.520 5.376 0.144 1
1 924 . 3 1 1 A 72 72 VAL C C 72 173.200 173.682 -0.482 1
1 925 . 3 1 1 A 72 72 VAL CA C 72 58.500 59.265 -0.765 1
1 926 . 3 1 1 A 72 72 VAL CB C 72 36.200 36.042 0.158 1
1 929 . 3 1 1 A 72 72 VAL N N 72 119.400 120.951 -1.551 1
1 930 . 3 1 1 A 73 73 GLU H H 73 8.720 8.793 -0.073 1
1 931 . 3 1 1 A 73 73 GLU HA H 73 4.750 4.662 0.088 1
1 936 . 3 1 1 A 73 73 GLU C C 73 175.300 175.033 0.267 1
1 937 . 3 1 1 A 73 73 GLU CA C 73 54.000 54.560 -0.560 1
1 938 . 3 1 1 A 73 73 GLU CB C 73 33.300 33.534 -0.234 1
1 940 . 3 1 1 A 73 73 GLU N N 73 116.600 120.912 -4.312 1
1 941 . 3 1 1 A 74 74 LEU H H 74 8.780 7.940 0.840 1
1 942 . 3 1 1 A 74 74 LEU HA H 74 4.330 4.544 -0.214 1
1 952 . 3 1 1 A 74 74 LEU C C 74 176.400 175.568 0.832 1
1 953 . 3 1 1 A 74 74 LEU CA C 74 55.400 54.778 0.622 1
1 954 . 3 1 1 A 74 74 LEU CB C 74 42.600 42.754 -0.154 1
1 958 . 3 1 1 A 74 74 LEU N N 74 124.100 127.641 -3.541 1
1 959 . 3 1 1 A 75 75 GLU H H 75 8.450 8.331 0.119 1
1 960 . 3 1 1 A 75 75 GLU HA H 75 4.350 4.140 0.210 1
1 965 . 3 1 1 A 75 75 GLU C C 75 175.700 175.737 -0.037 1
1 966 . 3 1 1 A 75 75 GLU CA C 75 55.800 56.858 -1.058 1
1 967 . 3 1 1 A 75 75 GLU CB C 75 30.500 30.267 0.233 1
1 969 . 3 1 1 A 75 75 GLU N N 75 123.500 126.983 -3.483 1
1 970 . 3 1 1 A 76 76 HIS H H 76 8.500 7.937 0.563 1
1 971 . 3 1 1 A 76 76 HIS HA H 76 4.590 4.606 -0.016 1
1 976 . 3 1 1 A 76 76 HIS C C 76 173.800 175.002 -1.202 1
1 977 . 3 1 1 A 76 76 HIS CA C 76 55.700 55.595 0.105 1
1 978 . 3 1 1 A 76 76 HIS CB C 76 30.200 30.399 -0.199 1
1 981 . 3 1 1 A 76 76 HIS N N 76 120.800 123.502 -2.702 1
1 982 . 3 1 1 A 77 77 HIS H H 77 8.100 8.864 -0.764 1
1 983 . 3 1 1 A 77 77 HIS HA H 77 4.610 4.920 -0.310 1
1 988 . 3 1 1 A 77 77 HIS C C 77 180.000 175.630 4.370 1
1 989 . 3 1 1 A 77 77 HIS CA C 77 56.400 54.409 1.991 1
1 990 . 3 1 1 A 77 77 HIS CB C 77 29.900 32.398 -2.498 1
1 993 . 3 1 1 A 77 77 HIS N N 77 125.100 121.205 3.895 1
1 994 . 3 1 1 A 78 78 HIS H H 78 8.250 9.333 -1.083 1
1 995 . 3 1 1 A 78 78 HIS HA H 78 4.620 3.958 0.662 1
1 1000 . 3 1 1 A 78 78 HIS C C 78 180.000 174.130 5.870 1
1 1001 . 3 1 1 A 78 78 HIS CA C 78 56.400 57.018 -0.618 1
1 1002 . 3 1 1 A 78 78 HIS CB C 78 29.900 28.564 1.336 1
1 1005 . 3 1 1 A 78 78 HIS N N 78 119.400 122.518 -3.118 1
1 1006 . 3 1 1 A 79 79 HIS H H 79 8.250 8.217 0.033 1
1 1007 . 3 1 1 A 79 79 HIS HA H 79 4.620 4.066 0.554 1
1 1012 . 3 1 1 A 79 79 HIS C C 79 180.000 174.263 5.737 1
1 1013 . 3 1 1 A 79 79 HIS CA C 79 56.400 59.631 -3.231 1
1 1014 . 3 1 1 A 79 79 HIS CB C 79 29.900 28.151 1.749 1
1 1017 . 3 1 1 A 79 79 HIS N N 79 119.400 110.579 8.821 1
1 1018 . 3 1 1 A 80 80 HIS H H 80 8.250 8.495 -0.245 1
1 1019 . 3 1 1 A 80 80 HIS HA H 80 4.620 4.818 -0.198 1
1 1024 . 3 1 1 A 80 80 HIS C C 80 180.000 174.626 5.374 1
1 1025 . 3 1 1 A 80 80 HIS CA C 80 56.400 56.727 -0.327 1
1 1026 . 3 1 1 A 80 80 HIS CB C 80 29.900 32.512 -2.612 1
1 1029 . 3 1 1 A 80 80 HIS N N 80 119.400 114.778 4.622 1
1 16 . 4 1 1 A 2 2 PHE H H 2 9.360 8.953 0.407 1
1 17 . 4 1 1 A 2 2 PHE HA H 2 4.960 4.747 0.213 1
1 25 . 4 1 1 A 2 2 PHE C C 2 173.300 174.525 -1.225 1
1 26 . 4 1 1 A 2 2 PHE CA C 2 56.400 56.548 -0.148 1
1 27 . 4 1 1 A 2 2 PHE CB C 2 38.500 39.550 -1.050 1
1 31 . 4 1 1 A 2 2 PHE N N 2 127.300 122.055 5.245 1
1 32 . 4 1 1 A 3 3 SER H H 3 9.150 8.406 0.744 1
1 33 . 4 1 1 A 3 3 SER HA H 3 5.590 4.694 0.896 1
1 36 . 4 1 1 A 3 3 SER C C 3 176.100 175.259 0.841 1
1 37 . 4 1 1 A 3 3 SER CA C 3 56.500 57.832 -1.332 1
1 38 . 4 1 1 A 3 3 SER CB C 3 68.100 64.494 3.606 1
1 39 . 4 1 1 A 3 3 SER N N 3 124.000 123.346 0.654 1
1 40 . 4 1 1 A 4 4 LEU H H 4 8.540 8.861 -0.321 1
1 41 . 4 1 1 A 4 4 LEU HA H 4 3.770 3.966 -0.196 1
1 51 . 4 1 1 A 4 4 LEU C C 4 177.200 177.824 -0.624 1
1 52 . 4 1 1 A 4 4 LEU CA C 4 57.300 58.123 -0.823 1
1 53 . 4 1 1 A 4 4 LEU CB C 4 41.600 41.462 0.138 1
1 57 . 4 1 1 A 4 4 LEU N N 4 120.800 127.783 -6.983 1
1 58 . 4 1 1 A 5 5 ARG H H 5 7.150 8.026 -0.876 1
1 59 . 4 1 1 A 5 5 ARG HA H 5 3.830 3.918 -0.088 1
1 66 . 4 1 1 A 5 5 ARG C C 5 175.900 177.611 -1.711 1
1 67 . 4 1 1 A 5 5 ARG CA C 5 57.300 59.196 -1.896 1
1 68 . 4 1 1 A 5 5 ARG CB C 5 29.400 29.700 -0.300 1
1 71 . 4 1 1 A 5 5 ARG N N 5 115.100 119.540 -4.440 1
1 72 . 4 1 1 A 6 6 ASP H H 6 7.600 7.514 0.086 1
1 73 . 4 1 1 A 6 6 ASP HA H 6 4.490 4.539 -0.049 1
1 76 . 4 1 1 A 6 6 ASP C C 6 175.700 175.963 -0.263 1
1 77 . 4 1 1 A 6 6 ASP CA C 6 54.700 53.566 1.134 1
1 78 . 4 1 1 A 6 6 ASP CB C 6 42.000 40.685 1.315 1
1 79 . 4 1 1 A 6 6 ASP N N 6 117.000 117.796 -0.796 1
1 80 . 4 1 1 A 7 7 ALA H H 7 6.990 6.999 -0.009 1
1 81 . 4 1 1 A 7 7 ALA HA H 7 4.390 4.379 0.011 1
1 85 . 4 1 1 A 7 7 ALA C C 7 175.300 176.891 -1.591 1
1 86 . 4 1 1 A 7 7 ALA CA C 7 51.600 52.433 -0.833 1
1 87 . 4 1 1 A 7 7 ALA CB C 7 19.500 19.867 -0.367 1
1 88 . 4 1 1 A 7 7 ALA N N 7 122.200 121.264 0.936 1
1 89 . 4 1 1 A 8 8 LYS H H 8 8.270 8.592 -0.322 1
1 90 . 4 1 1 A 8 8 LYS HA H 8 4.480 4.824 -0.344 1
1 99 . 4 1 1 A 8 8 LYS C C 8 175.600 176.107 -0.507 1
1 100 . 4 1 1 A 8 8 LYS CA C 8 53.800 54.384 -0.584 1
1 101 . 4 1 1 A 8 8 LYS CB C 8 34.600 35.170 -0.570 1
1 105 . 4 1 1 A 8 8 LYS N N 8 118.500 118.869 -0.369 1
1 106 . 4 1 1 A 9 9 CYS H H 9 8.400 8.623 -0.223 1
1 107 . 4 1 1 A 9 9 CYS HA H 9 3.630 4.373 -0.743 1
1 110 . 4 1 1 A 9 9 CYS C C 9 175.700 175.228 0.472 1
1 111 . 4 1 1 A 9 9 CYS CA C 9 60.300 59.930 0.370 1
1 112 . 4 1 1 A 9 9 CYS CB C 9 26.700 27.686 -0.986 1
1 113 . 4 1 1 A 9 9 CYS N N 9 117.100 121.103 -4.003 1
1 114 . 4 1 1 A 10 10 GLY H H 10 8.950 8.658 0.292 1
1 115 . 4 1 1 A 10 10 GLY HA2 H 10 3.790 3.913 -0.123 1
1 116 . 4 1 1 A 10 10 GLY HA3 H 10 4.350 3.932 0.418 1
1 117 . 4 1 1 A 10 10 GLY C C 10 174.600 173.478 1.122 1
1 118 . 4 1 1 A 10 10 GLY CA C 10 44.600 45.112 -0.512 1
1 119 . 4 1 1 A 10 10 GLY N N 10 114.200 112.341 1.859 1
1 120 . 4 1 1 A 11 11 GLN H H 11 7.750 7.650 0.100 1
1 121 . 4 1 1 A 11 11 GLN HA H 11 4.500 4.769 -0.269 1
1 128 . 4 1 1 A 11 11 GLN C C 11 174.200 174.552 -0.352 1
1 129 . 4 1 1 A 11 11 GLN CA C 11 56.000 53.751 2.249 1
1 130 . 4 1 1 A 11 11 GLN CB C 11 29.400 31.467 -2.067 1
1 132 . 4 1 1 A 11 11 GLN N N 11 118.900 118.751 0.149 1
1 134 . 4 1 1 A 12 12 THR H H 12 8.380 8.653 -0.273 1
1 135 . 4 1 1 A 12 12 THR HA H 12 5.330 5.341 -0.011 1
1 140 . 4 1 1 A 12 12 THR C C 12 174.100 174.475 -0.375 1
1 141 . 4 1 1 A 12 12 THR CA C 12 62.100 62.077 0.023 1
1 142 . 4 1 1 A 12 12 THR CB C 12 69.600 70.632 -1.032 1
1 144 . 4 1 1 A 12 12 THR N N 12 116.600 115.769 0.831 1
1 145 . 4 1 1 A 13 13 VAL H H 13 9.190 9.651 -0.461 1
1 146 . 4 1 1 A 13 13 VAL HA H 13 5.140 5.508 -0.368 1
1 154 . 4 1 1 A 13 13 VAL C C 13 173.200 173.479 -0.279 1
1 155 . 4 1 1 A 13 13 VAL CA C 13 57.300 58.683 -1.383 1
1 156 . 4 1 1 A 13 13 VAL CB C 13 35.100 35.474 -0.374 1
1 159 . 4 1 1 A 13 13 VAL N N 13 117.500 120.749 -3.249 1
1 160 . 4 1 1 A 14 14 LYS H H 14 9.000 9.139 -0.139 1
1 161 . 4 1 1 A 14 14 LYS HA H 14 5.350 5.034 0.316 1
1 170 . 4 1 1 A 14 14 LYS C C 14 176.900 175.609 1.291 1
1 171 . 4 1 1 A 14 14 LYS CA C 14 53.800 54.758 -0.958 1
1 172 . 4 1 1 A 14 14 LYS CB C 14 35.500 34.841 0.659 1
1 176 . 4 1 1 A 14 14 LYS N N 14 120.300 122.556 -2.256 1
1 177 . 4 1 1 A 15 15 VAL H H 15 8.620 9.166 -0.546 1
1 178 . 4 1 1 A 15 15 VAL HA H 15 3.880 4.103 -0.223 1
1 186 . 4 1 1 A 15 15 VAL C C 15 176.700 176.787 -0.087 1
1 187 . 4 1 1 A 15 15 VAL CA C 15 64.300 63.617 0.683 1
1 188 . 4 1 1 A 15 15 VAL CB C 15 31.500 31.439 0.061 1
1 191 . 4 1 1 A 15 15 VAL N N 15 123.100 127.488 -4.388 1
1 192 . 4 1 1 A 16 16 VAL H H 16 9.580 9.194 0.386 1
1 193 . 4 1 1 A 16 16 VAL HA H 16 4.100 4.463 -0.363 1
1 201 . 4 1 1 A 16 16 VAL C C 16 175.300 176.102 -0.802 1
1 202 . 4 1 1 A 16 16 VAL CA C 16 63.400 62.268 1.132 1
1 203 . 4 1 1 A 16 16 VAL CB C 16 33.700 33.462 0.238 1
1 206 . 4 1 1 A 16 16 VAL N N 16 130.100 121.810 8.290 1
1 207 . 4 1 1 A 17 17 LYS H H 17 7.490 7.576 -0.086 1
1 208 . 4 1 1 A 17 17 LYS HA H 17 4.380 4.833 -0.453 1
1 217 . 4 1 1 A 17 17 LYS C C 17 172.900 175.168 -2.268 1
1 218 . 4 1 1 A 17 17 LYS CA C 17 56.200 55.111 1.089 1
1 219 . 4 1 1 A 17 17 LYS CB C 17 35.500 35.908 -0.408 1
1 223 . 4 1 1 A 17 17 LYS N N 17 116.800 119.963 -3.163 1
1 224 . 4 1 1 A 18 18 LEU H H 18 8.520 9.012 -0.492 1
1 225 . 4 1 1 A 18 18 LEU HA H 18 4.890 4.891 -0.001 1
1 235 . 4 1 1 A 18 18 LEU C C 18 175.600 176.760 -1.160 1
1 236 . 4 1 1 A 18 18 LEU CA C 18 53.800 53.751 0.049 1
1 237 . 4 1 1 A 18 18 LEU CB C 18 42.500 42.020 0.480 1
1 241 . 4 1 1 A 18 18 LEU N N 18 124.100 126.008 -1.908 1
1 242 . 4 1 1 A 19 19 HIS H H 19 8.790 8.792 -0.002 1
1 243 . 4 1 1 A 19 19 HIS HA H 19 4.620 4.536 0.084 1
1 248 . 4 1 1 A 19 19 HIS C C 19 173.000 175.827 -2.827 1
1 249 . 4 1 1 A 19 19 HIS CA C 19 55.500 57.374 -1.874 1
1 250 . 4 1 1 A 19 19 HIS CB C 19 32.800 29.794 3.006 1
1 253 . 4 1 1 A 19 19 HIS N N 19 122.700 123.145 -0.445 1
1 254 . 4 1 1 A 20 20 GLY H H 20 8.100 7.964 0.136 1
1 255 . 4 1 1 A 20 20 GLY HA2 H 20 3.920 3.923 -0.003 1
1 256 . 4 1 1 A 20 20 GLY HA3 H 20 4.510 3.929 0.581 1
1 257 . 4 1 1 A 20 20 GLY C C 20 174.500 173.789 0.711 1
1 258 . 4 1 1 A 20 20 GLY CA C 20 44.200 45.940 -1.740 1
1 259 . 4 1 1 A 20 20 GLY N N 20 103.400 107.348 -3.948 1
1 260 . 4 1 1 A 21 21 THR H H 21 7.750 8.665 -0.915 1
1 261 . 4 1 1 A 21 21 THR HA H 21 4.450 4.446 0.004 1
1 266 . 4 1 1 A 21 21 THR C C 21 175.400 175.275 0.125 1
1 267 . 4 1 1 A 21 21 THR CA C 21 60.800 62.133 -1.333 1
1 268 . 4 1 1 A 21 21 THR CB C 21 70.900 68.134 2.766 1
1 270 . 4 1 1 A 21 21 THR N N 21 108.600 115.681 -7.081 1
1 271 . 4 1 1 A 22 22 GLY H H 22 8.780 8.669 0.111 1
1 272 . 4 1 1 A 22 22 GLY HA2 H 22 3.750 3.862 -0.112 1
1 273 . 4 1 1 A 22 22 GLY HA3 H 22 4.030 3.863 0.167 1
1 274 . 4 1 1 A 22 22 GLY C C 22 176.200 175.524 0.676 1
1 275 . 4 1 1 A 22 22 GLY CA C 22 47.300 47.324 -0.024 1
1 276 . 4 1 1 A 22 22 GLY N N 22 108.600 115.050 -6.450 1
1 277 . 4 1 1 A 23 23 ALA H H 23 8.480 8.421 0.059 1
1 278 . 4 1 1 A 23 23 ALA HA H 23 4.080 3.988 0.092 1
1 282 . 4 1 1 A 23 23 ALA C C 23 180.100 180.016 0.084 1
1 283 . 4 1 1 A 23 23 ALA CA C 23 54.700 54.664 0.036 1
1 284 . 4 1 1 A 23 23 ALA CB C 23 18.400 18.709 -0.309 1
1 285 . 4 1 1 A 23 23 ALA N N 23 123.300 126.901 -3.601 1
1 286 . 4 1 1 A 24 24 LEU H H 24 7.830 8.162 -0.332 1
1 287 . 4 1 1 A 24 24 LEU HA H 24 4.120 3.990 0.130 1
1 297 . 4 1 1 A 24 24 LEU C C 24 178.600 179.474 -0.874 1
1 298 . 4 1 1 A 24 24 LEU CA C 24 57.800 57.810 -0.010 1
1 299 . 4 1 1 A 24 24 LEU CB C 24 41.100 41.433 -0.333 1
1 303 . 4 1 1 A 24 24 LEU N N 24 120.400 119.236 1.164 1
1 304 . 4 1 1 A 25 25 LYS H H 25 7.960 8.323 -0.363 1
1 305 . 4 1 1 A 25 25 LYS HA H 25 3.750 4.037 -0.287 1
1 314 . 4 1 1 A 25 25 LYS C C 25 178.300 178.928 -0.628 1
1 315 . 4 1 1 A 25 25 LYS CA C 25 60.400 59.075 1.325 1
1 316 . 4 1 1 A 25 25 LYS CB C 25 32.000 31.866 0.134 1
1 320 . 4 1 1 A 25 25 LYS N N 25 118.000 118.400 -0.400 1
1 321 . 4 1 1 A 26 26 ARG H H 26 7.890 8.550 -0.660 1
1 322 . 4 1 1 A 26 26 ARG HA H 26 3.970 4.031 -0.061 1
1 329 . 4 1 1 A 26 26 ARG C C 26 177.700 178.960 -1.260 1
1 330 . 4 1 1 A 26 26 ARG CA C 26 58.700 59.528 -0.828 1
1 331 . 4 1 1 A 26 26 ARG CB C 26 30.000 29.806 0.194 1
1 334 . 4 1 1 A 26 26 ARG N N 26 117.100 119.754 -2.654 1
1 335 . 4 1 1 A 27 27 ARG H H 27 7.660 7.624 0.036 1
1 336 . 4 1 1 A 27 27 ARG HA H 27 4.100 4.050 0.050 1
1 343 . 4 1 1 A 27 27 ARG C C 27 179.000 178.625 0.375 1
1 344 . 4 1 1 A 27 27 ARG CA C 27 59.100 59.015 0.085 1
1 345 . 4 1 1 A 27 27 ARG CB C 27 29.800 29.782 0.018 1
1 348 . 4 1 1 A 27 27 ARG N N 27 118.600 118.750 -0.150 1
1 349 . 4 1 1 A 28 28 ILE H H 28 7.970 8.022 -0.052 1
1 350 . 4 1 1 A 28 28 ILE HA H 28 3.740 3.624 0.116 1
1 360 . 4 1 1 A 28 28 ILE C C 28 178.700 178.123 0.577 1
1 361 . 4 1 1 A 28 28 ILE CA C 28 64.800 65.134 -0.334 1
1 362 . 4 1 1 A 28 28 ILE CB C 28 38.100 38.347 -0.247 1
1 366 . 4 1 1 A 28 28 ILE N N 28 119.400 120.799 -1.399 1
1 367 . 4 1 1 A 29 29 MET H H 29 8.420 8.572 -0.152 1
1 368 . 4 1 1 A 29 29 MET HA H 29 4.370 4.129 0.241 1
1 376 . 4 1 1 A 29 29 MET C C 29 181.400 177.893 3.507 1
1 377 . 4 1 1 A 29 29 MET CA C 29 59.100 58.340 0.760 1
1 378 . 4 1 1 A 29 29 MET CB C 29 32.800 32.663 0.137 1
1 381 . 4 1 1 A 29 29 MET N N 29 119.900 119.185 0.715 1
1 382 . 4 1 1 A 30 30 ASP H H 30 8.650 9.214 -0.564 1
1 383 . 4 1 1 A 30 30 ASP HA H 30 4.440 4.383 0.057 1
1 386 . 4 1 1 A 30 30 ASP C C 30 178.200 178.181 0.019 1
1 387 . 4 1 1 A 30 30 ASP CA C 30 56.700 57.720 -1.020 1
1 388 . 4 1 1 A 30 30 ASP CB C 30 39.900 42.117 -2.217 1
1 389 . 4 1 1 A 30 30 ASP N N 30 121.800 120.446 1.354 1
1 390 . 4 1 1 A 31 31 MET H H 31 7.570 7.551 0.019 1
1 391 . 4 1 1 A 31 31 MET HA H 31 4.290 4.427 -0.137 1
1 399 . 4 1 1 A 31 31 MET C C 31 175.700 176.122 -0.422 1
1 400 . 4 1 1 A 31 31 MET CA C 31 56.800 55.953 0.847 1
1 401 . 4 1 1 A 31 31 MET CB C 31 33.300 32.250 1.050 1
1 404 . 4 1 1 A 31 31 MET N N 31 117.500 115.917 1.583 1
1 405 . 4 1 1 A 32 32 GLY H H 32 7.990 7.667 0.323 1
1 406 . 4 1 1 A 32 32 GLY HA2 H 32 4.270 4.040 0.230 1
1 407 . 4 1 1 A 32 32 GLY HA3 H 32 3.630 4.055 -0.425 1
1 408 . 4 1 1 A 32 32 GLY C C 32 173.600 174.713 -1.113 1
1 409 . 4 1 1 A 32 32 GLY CA C 32 44.200 45.162 -0.962 1
1 410 . 4 1 1 A 32 32 GLY N N 32 104.400 105.207 -0.807 1
1 411 . 4 1 1 A 33 33 ILE H H 33 7.140 7.598 -0.458 1
1 412 . 4 1 1 A 33 33 ILE HA H 33 4.120 4.325 -0.205 1
1 422 . 4 1 1 A 33 33 ILE C C 33 172.400 176.010 -3.610 1
1 423 . 4 1 1 A 33 33 ILE CA C 33 61.700 60.328 1.372 1
1 424 . 4 1 1 A 33 33 ILE CB C 33 37.200 35.868 1.332 1
1 428 . 4 1 1 A 33 33 ILE N N 33 120.800 123.004 -2.204 1
1 429 . 4 1 1 A 34 34 THR H H 34 6.930 8.332 -1.402 1
1 430 . 4 1 1 A 34 34 THR HA H 34 4.590 4.663 -0.073 1
1 435 . 4 1 1 A 34 34 THR C C 34 174.400 174.324 0.076 1
1 436 . 4 1 1 A 34 34 THR CA C 34 58.300 61.064 -2.764 1
1 437 . 4 1 1 A 34 34 THR CB C 34 72.200 68.426 3.774 1
1 439 . 4 1 1 A 34 34 THR N N 34 113.300 116.947 -3.647 1
1 440 . 4 1 1 A 35 35 ARG H H 35 8.760 8.248 0.512 1
1 441 . 4 1 1 A 35 35 ARG HA H 35 3.520 4.026 -0.506 1
1 448 . 4 1 1 A 35 35 ARG C C 35 176.800 175.635 1.165 1
1 449 . 4 1 1 A 35 35 ARG CA C 35 58.700 56.849 1.851 1
1 450 . 4 1 1 A 35 35 ARG CB C 35 29.700 30.268 -0.568 1
1 453 . 4 1 1 A 35 35 ARG N N 35 121.300 121.344 -0.044 1
1 454 . 4 1 1 A 36 36 GLY H H 36 8.950 9.490 -0.540 1
1 455 . 4 1 1 A 36 36 GLY HA2 H 36 4.460 4.030 0.430 1
1 456 . 4 1 1 A 36 36 GLY HA3 H 36 3.560 4.034 -0.474 1
1 457 . 4 1 1 A 36 36 GLY C C 36 173.900 174.284 -0.384 1
1 458 . 4 1 1 A 36 36 GLY CA C 36 44.700 45.104 -0.404 1
1 459 . 4 1 1 A 36 36 GLY N N 36 114.200 113.486 0.714 1
1 460 . 4 1 1 A 37 37 CYS H H 37 7.950 8.042 -0.092 1
1 461 . 4 1 1 A 37 37 CYS HA H 37 4.550 4.578 -0.028 1
1 464 . 4 1 1 A 37 37 CYS C C 37 172.900 174.822 -1.922 1
1 465 . 4 1 1 A 37 37 CYS CA C 37 59.200 59.212 -0.012 1
1 466 . 4 1 1 A 37 37 CYS CB C 37 28.000 28.720 -0.720 1
1 467 . 4 1 1 A 37 37 CYS N N 37 118.400 121.010 -2.610 1
1 468 . 4 1 1 A 38 38 GLU H H 38 8.540 8.806 -0.266 1
1 469 . 4 1 1 A 38 38 GLU HA H 38 5.160 5.341 -0.181 1
1 474 . 4 1 1 A 38 38 GLU C C 38 176.000 175.541 0.459 1
1 475 . 4 1 1 A 38 38 GLU CA C 38 55.300 55.363 -0.063 1
1 476 . 4 1 1 A 38 38 GLU CB C 38 31.500 31.553 -0.053 1
1 478 . 4 1 1 A 38 38 GLU N N 38 123.100 122.703 0.397 1
1 479 . 4 1 1 A 39 39 ILE H H 39 9.360 9.489 -0.129 1
1 480 . 4 1 1 A 39 39 ILE HA H 39 4.600 4.777 -0.177 1
1 490 . 4 1 1 A 39 39 ILE C C 39 173.700 173.720 -0.020 1
1 491 . 4 1 1 A 39 39 ILE CA C 39 60.500 60.361 0.139 1
1 492 . 4 1 1 A 39 39 ILE CB C 39 41.300 41.010 0.290 1
1 496 . 4 1 1 A 39 39 ILE N N 39 124.000 124.506 -0.506 1
1 497 . 4 1 1 A 40 40 TYR H H 40 8.540 8.873 -0.333 1
1 498 . 4 1 1 A 40 40 TYR HA H 40 5.340 5.082 0.258 1
1 505 . 4 1 1 A 40 40 TYR C C 40 175.000 174.380 0.620 1
1 506 . 4 1 1 A 40 40 TYR CA C 40 55.900 56.647 -0.747 1
1 507 . 4 1 1 A 40 40 TYR CB C 40 40.900 39.822 1.078 1
1 510 . 4 1 1 A 40 40 TYR N N 40 127.000 128.869 -1.869 1
1 511 . 4 1 1 A 41 41 ILE H H 41 7.850 8.566 -0.716 1
1 512 . 4 1 1 A 41 41 ILE HA H 41 3.910 4.040 -0.130 1
1 522 . 4 1 1 A 41 41 ILE C C 41 173.600 175.445 -1.845 1
1 523 . 4 1 1 A 41 41 ILE CA C 41 61.500 61.864 -0.364 1
1 524 . 4 1 1 A 41 41 ILE CB C 41 35.800 36.803 -1.003 1
1 528 . 4 1 1 A 41 41 ILE N N 41 127.800 127.755 0.045 1
1 529 . 4 1 1 A 42 42 ARG H H 42 8.460 9.255 -0.795 1
1 530 . 4 1 1 A 42 42 ARG HA H 42 4.110 4.532 -0.422 1
1 537 . 4 1 1 A 42 42 ARG C C 42 176.500 176.351 0.149 1
1 538 . 4 1 1 A 42 42 ARG CA C 42 57.700 57.857 -0.157 1
1 539 . 4 1 1 A 42 42 ARG CB C 42 31.400 31.233 0.167 1
1 542 . 4 1 1 A 42 42 ARG N N 42 128.100 128.191 -0.091 1
1 543 . 4 1 1 A 43 43 LYS H H 43 7.920 7.517 0.403 1
1 544 . 4 1 1 A 43 43 LYS HA H 43 4.530 4.724 -0.194 1
1 553 . 4 1 1 A 43 43 LYS C C 43 173.100 173.928 -0.828 1
1 554 . 4 1 1 A 43 43 LYS CA C 43 56.400 55.994 0.406 1
1 555 . 4 1 1 A 43 43 LYS CB C 43 36.100 35.897 0.203 1
1 559 . 4 1 1 A 43 43 LYS N N 43 116.400 117.603 -1.203 1
1 560 . 4 1 1 A 44 44 VAL H H 44 8.450 9.007 -0.557 1
1 561 . 4 1 1 A 44 44 VAL HA H 44 4.260 4.665 -0.405 1
1 569 . 4 1 1 A 44 44 VAL C C 44 175.000 175.809 -0.809 1
1 570 . 4 1 1 A 44 44 VAL CA C 44 61.500 61.249 0.251 1
1 571 . 4 1 1 A 44 44 VAL CB C 44 34.200 32.648 1.552 1
1 574 . 4 1 1 A 44 44 VAL N N 44 123.900 127.158 -3.258 1
1 575 . 4 1 1 A 45 45 ALA H H 45 7.550 8.042 -0.492 1
1 576 . 4 1 1 A 45 45 ALA HA H 45 4.480 4.405 0.075 1
1 580 . 4 1 1 A 45 45 ALA CA C 45 51.500 50.671 0.829 1
1 581 . 4 1 1 A 45 45 ALA CB C 45 17.600 17.681 -0.081 1
1 582 . 4 1 1 A 45 45 ALA N N 45 129.600 131.083 -1.483 1
1 583 . 4 1 1 A 46 46 PRO HA H 46 4.290 4.328 -0.038 1
1 590 . 4 1 1 A 46 46 PRO C C 46 177.800 178.051 -0.251 1
1 591 . 4 1 1 A 46 46 PRO CA C 46 65.500 65.599 -0.099 1
1 592 . 4 1 1 A 46 46 PRO CB C 46 31.600 31.744 -0.144 1
1 595 . 4 1 1 A 47 47 LEU H H 47 8.330 8.033 0.297 1
1 596 . 4 1 1 A 47 47 LEU HA H 47 4.330 4.291 0.039 1
1 606 . 4 1 1 A 47 47 LEU C C 47 178.000 176.931 1.069 1
1 607 . 4 1 1 A 47 47 LEU CA C 47 55.300 55.933 -0.633 1
1 608 . 4 1 1 A 47 47 LEU CB C 47 40.300 42.923 -2.623 1
1 612 . 4 1 1 A 47 47 LEU N N 47 115.100 117.179 -2.079 1
1 613 . 4 1 1 A 48 48 GLY H H 48 8.420 8.490 -0.070 1
1 614 . 4 1 1 A 48 48 GLY HA2 H 48 4.090 3.927 0.163 1
1 615 . 4 1 1 A 48 48 GLY HA3 H 48 3.490 3.927 -0.437 1
1 616 . 4 1 1 A 48 48 GLY C C 48 171.900 173.180 -1.280 1
1 617 . 4 1 1 A 48 48 GLY CA C 48 45.500 45.148 0.352 1
1 618 . 4 1 1 A 48 48 GLY N N 48 107.400 107.542 -0.142 1
1 619 . 4 1 1 A 49 49 ASP H H 49 6.850 7.849 -0.999 1
1 620 . 4 1 1 A 49 49 ASP HA H 49 5.050 5.141 -0.091 1
1 623 . 4 1 1 A 49 49 ASP CA C 49 50.200 50.950 -0.750 1
1 624 . 4 1 1 A 49 49 ASP CB C 49 45.300 43.743 1.557 1
1 625 . 4 1 1 A 49 49 ASP N N 49 116.000 121.125 -5.125 1
1 626 . 4 1 1 A 50 50 PRO HA H 50 5.450 4.717 0.733 1
1 633 . 4 1 1 A 50 50 PRO C C 50 174.900 175.633 -0.733 1
1 634 . 4 1 1 A 50 50 PRO CA C 50 63.900 62.245 1.655 1
1 635 . 4 1 1 A 50 50 PRO CB C 50 35.600 33.066 2.534 1
1 638 . 4 1 1 A 51 51 ILE H H 51 8.980 9.083 -0.103 1
1 639 . 4 1 1 A 51 51 ILE HA H 51 4.400 4.458 -0.058 1
1 649 . 4 1 1 A 51 51 ILE C C 51 174.500 175.212 -0.712 1
1 650 . 4 1 1 A 51 51 ILE CA C 51 61.100 60.278 0.822 1
1 651 . 4 1 1 A 51 51 ILE CB C 51 40.900 39.011 1.889 1
1 655 . 4 1 1 A 51 51 ILE N N 51 118.100 120.297 -2.197 1
1 656 . 4 1 1 A 52 52 GLN H H 52 9.060 9.026 0.034 1
1 657 . 4 1 1 A 52 52 GLN HA H 52 5.160 5.072 0.088 1
1 664 . 4 1 1 A 52 52 GLN C C 52 175.800 175.681 0.119 1
1 665 . 4 1 1 A 52 52 GLN CA C 52 54.900 55.799 -0.899 1
1 666 . 4 1 1 A 52 52 GLN CB C 52 29.600 29.708 -0.108 1
1 668 . 4 1 1 A 52 52 GLN N N 52 126.100 126.796 -0.696 1
1 670 . 4 1 1 A 53 53 ILE H H 53 9.080 9.413 -0.333 1
1 671 . 4 1 1 A 53 53 ILE HA H 53 5.440 5.021 0.419 1
1 681 . 4 1 1 A 53 53 ILE C C 53 174.000 173.721 0.279 1
1 682 . 4 1 1 A 53 53 ILE CA C 53 58.700 58.843 -0.143 1
1 683 . 4 1 1 A 53 53 ILE CB C 53 41.500 42.320 -0.820 1
1 687 . 4 1 1 A 53 53 ILE N N 53 117.600 119.251 -1.651 1
1 688 . 4 1 1 A 54 54 ASN H H 54 9.360 9.419 -0.059 1
1 689 . 4 1 1 A 54 54 ASN HA H 54 5.840 5.503 0.337 1
1 694 . 4 1 1 A 54 54 ASN C C 54 174.800 174.451 0.349 1
1 695 . 4 1 1 A 54 54 ASN CA C 54 52.300 51.961 0.339 1
1 696 . 4 1 1 A 54 54 ASN CB C 54 42.200 40.298 1.902 1
1 697 . 4 1 1 A 54 54 ASN N N 54 120.100 121.936 -1.836 1
1 699 . 4 1 1 A 55 55 VAL H H 55 8.900 8.870 0.030 1
1 700 . 4 1 1 A 55 55 VAL HA H 55 4.480 4.560 -0.080 1
1 708 . 4 1 1 A 55 55 VAL C C 55 174.400 175.912 -1.512 1
1 709 . 4 1 1 A 55 55 VAL CA C 55 60.800 61.228 -0.428 1
1 710 . 4 1 1 A 55 55 VAL CB C 55 34.300 34.306 -0.006 1
1 713 . 4 1 1 A 55 55 VAL N N 55 124.400 126.560 -2.160 1
1 714 . 4 1 1 A 56 56 ARG H H 56 9.680 9.589 0.091 1
1 715 . 4 1 1 A 56 56 ARG HA H 56 3.880 4.002 -0.122 1
1 722 . 4 1 1 A 56 56 ARG C C 56 175.000 176.197 -1.197 1
1 723 . 4 1 1 A 56 56 ARG CA C 56 57.200 57.341 -0.141 1
1 724 . 4 1 1 A 56 56 ARG CB C 56 28.400 28.267 0.133 1
1 727 . 4 1 1 A 56 56 ARG N N 56 125.100 128.215 -3.115 1
1 728 . 4 1 1 A 57 57 GLY H H 57 8.130 8.006 0.124 1
1 729 . 4 1 1 A 57 57 GLY HA2 H 57 4.130 3.619 0.511 1
1 730 . 4 1 1 A 57 57 GLY HA3 H 57 3.610 3.735 -0.125 1
1 731 . 4 1 1 A 57 57 GLY C C 57 174.300 173.412 0.888 1
1 732 . 4 1 1 A 57 57 GLY CA C 57 45.300 45.137 0.163 1
1 733 . 4 1 1 A 57 57 GLY N N 57 103.500 105.606 -2.106 1
1 734 . 4 1 1 A 58 58 TYR H H 58 8.180 7.938 0.242 1
1 735 . 4 1 1 A 58 58 TYR HA H 58 4.750 4.537 0.213 1
1 742 . 4 1 1 A 58 58 TYR C C 58 174.500 175.835 -1.335 1
1 743 . 4 1 1 A 58 58 TYR CA C 58 56.600 58.193 -1.593 1
1 744 . 4 1 1 A 58 58 TYR CB C 58 39.500 39.583 -0.083 1
1 747 . 4 1 1 A 58 58 TYR N N 58 121.300 119.745 1.555 1
1 748 . 4 1 1 A 59 59 GLU H H 59 8.480 8.986 -0.506 1
1 749 . 4 1 1 A 59 59 GLU HA H 59 5.120 4.710 0.410 1
1 754 . 4 1 1 A 59 59 GLU C C 59 178.400 175.768 2.632 1
1 755 . 4 1 1 A 59 59 GLU CA C 59 55.200 56.802 -1.602 1
1 756 . 4 1 1 A 59 59 GLU CB C 59 30.400 30.112 0.288 1
1 758 . 4 1 1 A 59 59 GLU N N 59 122.400 123.836 -1.436 1
1 759 . 4 1 1 A 60 60 LEU H H 60 8.900 9.819 -0.919 1
1 760 . 4 1 1 A 60 60 LEU HA H 60 4.830 5.037 -0.207 1
1 770 . 4 1 1 A 60 60 LEU C C 60 175.100 176.126 -1.026 1
1 771 . 4 1 1 A 60 60 LEU CA C 60 53.800 53.403 0.397 1
1 772 . 4 1 1 A 60 60 LEU CB C 60 46.200 45.610 0.590 1
1 776 . 4 1 1 A 60 60 LEU N N 60 124.600 127.119 -2.519 1
1 777 . 4 1 1 A 61 61 SER H H 61 8.390 9.093 -0.703 1
1 778 . 4 1 1 A 61 61 SER HA H 61 5.150 5.686 -0.536 1
1 781 . 4 1 1 A 61 61 SER C C 61 173.300 172.974 0.326 1
1 782 . 4 1 1 A 61 61 SER CA C 61 56.600 56.666 -0.066 1
1 783 . 4 1 1 A 61 61 SER CB C 61 63.900 65.146 -1.246 1
1 784 . 4 1 1 A 61 61 SER N N 61 116.100 114.286 1.814 1
1 785 . 4 1 1 A 62 62 LEU H H 62 9.190 9.350 -0.160 1
1 786 . 4 1 1 A 62 62 LEU HA H 62 4.700 4.902 -0.202 1
1 796 . 4 1 1 A 62 62 LEU C C 62 175.800 176.824 -1.024 1
1 797 . 4 1 1 A 62 62 LEU CA C 62 53.000 53.313 -0.313 1
1 798 . 4 1 1 A 62 62 LEU CB C 62 45.900 43.794 2.106 1
1 802 . 4 1 1 A 62 62 LEU N N 62 126.800 126.820 -0.020 1
1 803 . 4 1 1 A 63 63 ARG H H 63 8.670 8.759 -0.089 1
1 804 . 4 1 1 A 63 63 ARG HA H 63 4.640 4.323 0.317 1
1 811 . 4 1 1 A 63 63 ARG C C 63 176.000 177.582 -1.582 1
1 812 . 4 1 1 A 63 63 ARG CA C 63 53.700 56.568 -2.868 1
1 813 . 4 1 1 A 63 63 ARG CB C 63 29.100 31.008 -1.908 1
1 816 . 4 1 1 A 63 63 ARG N N 63 120.600 122.303 -1.703 1
1 817 . 4 1 1 A 64 64 LYS H H 64 8.900 9.649 -0.749 1
1 818 . 4 1 1 A 64 64 LYS HA H 64 3.800 3.793 0.007 1
1 827 . 4 1 1 A 64 64 LYS C C 64 177.100 178.222 -1.122 1
1 828 . 4 1 1 A 64 64 LYS CA C 64 60.200 60.182 0.018 1
1 829 . 4 1 1 A 64 64 LYS CB C 64 32.300 31.934 0.366 1
1 833 . 4 1 1 A 64 64 LYS N N 64 124.600 124.383 0.217 1
1 834 . 4 1 1 A 65 65 SER H H 65 8.380 8.120 0.260 1
1 835 . 4 1 1 A 65 65 SER HA H 65 4.130 4.142 -0.012 1
1 838 . 4 1 1 A 65 65 SER C C 65 176.000 176.228 -0.228 1
1 839 . 4 1 1 A 65 65 SER CA C 65 60.300 61.753 -1.453 1
1 840 . 4 1 1 A 65 65 SER CB C 65 61.900 62.878 -0.978 1
1 841 . 4 1 1 A 65 65 SER N N 65 110.900 116.883 -5.983 1
1 842 . 4 1 1 A 66 66 ALA H H 66 6.910 8.026 -1.116 1
1 843 . 4 1 1 A 66 66 ALA HA H 66 4.290 4.155 0.135 1
1 847 . 4 1 1 A 66 66 ALA C C 66 178.800 179.449 -0.649 1
1 848 . 4 1 1 A 66 66 ALA CA C 66 54.000 54.749 -0.749 1
1 849 . 4 1 1 A 66 66 ALA CB C 66 18.800 18.362 0.438 1
1 850 . 4 1 1 A 66 66 ALA N N 66 122.600 123.723 -1.123 1
1 851 . 4 1 1 A 67 67 ALA H H 67 8.050 8.404 -0.354 1
1 852 . 4 1 1 A 67 67 ALA HA H 67 3.850 3.986 -0.136 1
1 856 . 4 1 1 A 67 67 ALA C C 67 178.800 179.053 -0.253 1
1 857 . 4 1 1 A 67 67 ALA CA C 67 54.900 54.678 0.222 1
1 858 . 4 1 1 A 67 67 ALA CB C 67 18.700 18.268 0.432 1
1 859 . 4 1 1 A 67 67 ALA N N 67 118.800 120.026 -1.226 1
1 860 . 4 1 1 A 68 68 GLU H H 68 7.910 8.060 -0.150 1
1 861 . 4 1 1 A 68 68 GLU HA H 68 4.150 4.032 0.118 1
1 866 . 4 1 1 A 68 68 GLU C C 68 175.900 176.796 -0.896 1
1 867 . 4 1 1 A 68 68 GLU CA C 68 57.200 57.887 -0.687 1
1 868 . 4 1 1 A 68 68 GLU CB C 68 29.800 28.948 0.852 1
1 870 . 4 1 1 A 68 68 GLU N N 68 113.100 115.692 -2.592 1
1 871 . 4 1 1 A 69 69 MET H H 69 7.360 7.823 -0.463 1
1 872 . 4 1 1 A 69 69 MET HA H 69 4.590 4.532 0.058 1
1 880 . 4 1 1 A 69 69 MET C C 69 174.400 174.786 -0.386 1
1 881 . 4 1 1 A 69 69 MET CA C 69 53.800 54.525 -0.725 1
1 882 . 4 1 1 A 69 69 MET CB C 69 32.400 32.872 -0.472 1
1 885 . 4 1 1 A 69 69 MET N N 69 114.100 117.971 -3.871 1
1 886 . 4 1 1 A 70 70 ILE H H 70 7.310 7.530 -0.220 1
1 887 . 4 1 1 A 70 70 ILE HA H 70 4.260 4.340 -0.080 1
1 897 . 4 1 1 A 70 70 ILE C C 70 174.100 174.582 -0.482 1
1 898 . 4 1 1 A 70 70 ILE CA C 70 60.900 60.871 0.029 1
1 899 . 4 1 1 A 70 70 ILE CB C 70 38.700 38.360 0.340 1
1 903 . 4 1 1 A 70 70 ILE N N 70 120.300 120.871 -0.571 1
1 904 . 4 1 1 A 71 71 GLU H H 71 8.910 9.481 -0.571 1
1 905 . 4 1 1 A 71 71 GLU HA H 71 4.750 4.842 -0.092 1
1 910 . 4 1 1 A 71 71 GLU C C 71 177.100 176.361 0.739 1
1 911 . 4 1 1 A 71 71 GLU CA C 71 55.900 55.668 0.232 1
1 912 . 4 1 1 A 71 71 GLU CB C 71 30.600 31.311 -0.711 1
1 914 . 4 1 1 A 71 71 GLU N N 71 129.500 128.312 1.188 1
1 915 . 4 1 1 A 72 72 VAL H H 72 8.880 8.740 0.140 1
1 916 . 4 1 1 A 72 72 VAL HA H 72 5.520 5.173 0.347 1
1 924 . 4 1 1 A 72 72 VAL C C 72 173.200 174.320 -1.120 1
1 925 . 4 1 1 A 72 72 VAL CA C 72 58.500 58.736 -0.236 1
1 926 . 4 1 1 A 72 72 VAL CB C 72 36.200 35.630 0.570 1
1 929 . 4 1 1 A 72 72 VAL N N 72 119.400 120.611 -1.211 1
1 930 . 4 1 1 A 73 73 GLU H H 73 8.720 9.370 -0.650 1
1 931 . 4 1 1 A 73 73 GLU HA H 73 4.750 4.859 -0.109 1
1 936 . 4 1 1 A 73 73 GLU C C 73 175.300 175.545 -0.245 1
1 937 . 4 1 1 A 73 73 GLU CA C 73 54.000 55.145 -1.145 1
1 938 . 4 1 1 A 73 73 GLU CB C 73 33.300 31.359 1.941 1
1 940 . 4 1 1 A 73 73 GLU N N 73 116.600 121.201 -4.601 1
1 941 . 4 1 1 A 74 74 LEU H H 74 8.780 8.493 0.287 1
1 942 . 4 1 1 A 74 74 LEU HA H 74 4.330 4.507 -0.177 1
1 952 . 4 1 1 A 74 74 LEU C C 74 176.400 176.707 -0.307 1
1 953 . 4 1 1 A 74 74 LEU CA C 74 55.400 54.407 0.993 1
1 954 . 4 1 1 A 74 74 LEU CB C 74 42.600 42.222 0.378 1
1 958 . 4 1 1 A 74 74 LEU N N 74 124.100 127.292 -3.192 1
1 959 . 4 1 1 A 75 75 GLU H H 75 8.450 8.864 -0.414 1
1 960 . 4 1 1 A 75 75 GLU HA H 75 4.350 4.488 -0.138 1
1 965 . 4 1 1 A 75 75 GLU C C 75 175.700 175.815 -0.115 1
1 966 . 4 1 1 A 75 75 GLU CA C 75 55.800 55.982 -0.182 1
1 967 . 4 1 1 A 75 75 GLU CB C 75 30.500 28.192 2.308 1
1 969 . 4 1 1 A 75 75 GLU N N 75 123.500 126.816 -3.316 1
1 970 . 4 1 1 A 76 76 HIS H H 76 8.500 8.561 -0.061 1
1 971 . 4 1 1 A 76 76 HIS HA H 76 4.590 4.895 -0.305 1
1 976 . 4 1 1 A 76 76 HIS C C 76 173.800 174.315 -0.515 1
1 977 . 4 1 1 A 76 76 HIS CA C 76 55.700 54.884 0.816 1
1 978 . 4 1 1 A 76 76 HIS CB C 76 30.200 30.471 -0.271 1
1 981 . 4 1 1 A 76 76 HIS N N 76 120.800 122.111 -1.311 1
1 982 . 4 1 1 A 77 77 HIS H H 77 8.100 8.691 -0.591 1
1 983 . 4 1 1 A 77 77 HIS HA H 77 4.610 4.485 0.125 1
1 988 . 4 1 1 A 77 77 HIS C C 77 180.000 173.925 6.075 1
1 989 . 4 1 1 A 77 77 HIS CA C 77 56.400 56.745 -0.345 1
1 990 . 4 1 1 A 77 77 HIS CB C 77 29.900 29.893 0.007 1
1 993 . 4 1 1 A 77 77 HIS N N 77 125.100 126.847 -1.747 1
1 994 . 4 1 1 A 78 78 HIS H H 78 8.250 8.631 -0.381 1
1 995 . 4 1 1 A 78 78 HIS HA H 78 4.620 4.859 -0.239 1
1 1000 . 4 1 1 A 78 78 HIS C C 78 180.000 172.767 7.233 1
1 1001 . 4 1 1 A 78 78 HIS CA C 78 56.400 53.505 2.895 1
1 1002 . 4 1 1 A 78 78 HIS CB C 78 29.900 30.801 -0.901 1
1 1005 . 4 1 1 A 78 78 HIS N N 78 119.400 127.612 -8.212 1
1 1006 . 4 1 1 A 79 79 HIS H H 79 8.250 8.642 -0.392 1
1 1007 . 4 1 1 A 79 79 HIS HA H 79 4.620 4.801 -0.181 1
1 1012 . 4 1 1 A 79 79 HIS C C 79 180.000 174.088 5.912 1
1 1013 . 4 1 1 A 79 79 HIS CA C 79 56.400 54.862 1.538 1
1 1014 . 4 1 1 A 79 79 HIS CB C 79 29.900 30.668 -0.768 1
1 1017 . 4 1 1 A 79 79 HIS N N 79 119.400 127.064 -7.664 1
1 1018 . 4 1 1 A 80 80 HIS H H 80 8.250 8.615 -0.365 1
1 1019 . 4 1 1 A 80 80 HIS HA H 80 4.620 4.431 0.189 1
1 1024 . 4 1 1 A 80 80 HIS C C 80 180.000 174.264 5.736 1
1 1025 . 4 1 1 A 80 80 HIS CA C 80 56.400 56.687 -0.287 1
1 1026 . 4 1 1 A 80 80 HIS CB C 80 29.900 31.788 -1.888 1
1 1029 . 4 1 1 A 80 80 HIS N N 80 119.400 125.651 -6.251 1
1 16 . 5 1 1 A 2 2 PHE H H 2 9.360 9.630 -0.270 1
1 17 . 5 1 1 A 2 2 PHE HA H 2 4.960 5.269 -0.309 1
1 25 . 5 1 1 A 2 2 PHE C C 2 173.300 173.896 -0.596 1
1 26 . 5 1 1 A 2 2 PHE CA C 2 56.400 55.473 0.927 1
1 27 . 5 1 1 A 2 2 PHE CB C 2 38.500 41.286 -2.786 1
1 31 . 5 1 1 A 2 2 PHE N N 2 127.300 123.559 3.741 1
1 32 . 5 1 1 A 3 3 SER H H 3 9.150 8.747 0.403 1
1 33 . 5 1 1 A 3 3 SER HA H 3 5.590 5.002 0.588 1
1 36 . 5 1 1 A 3 3 SER C C 3 176.100 175.254 0.846 1
1 37 . 5 1 1 A 3 3 SER CA C 3 56.500 58.056 -1.556 1
1 38 . 5 1 1 A 3 3 SER CB C 3 68.100 64.079 4.021 1
1 39 . 5 1 1 A 3 3 SER N N 3 124.000 123.665 0.335 1
1 40 . 5 1 1 A 4 4 LEU H H 4 8.540 8.471 0.069 1
1 41 . 5 1 1 A 4 4 LEU HA H 4 3.770 4.199 -0.429 1
1 51 . 5 1 1 A 4 4 LEU C C 4 177.200 178.535 -1.335 1
1 52 . 5 1 1 A 4 4 LEU CA C 4 57.300 58.253 -0.953 1
1 53 . 5 1 1 A 4 4 LEU CB C 4 41.600 41.564 0.036 1
1 57 . 5 1 1 A 4 4 LEU N N 4 120.800 128.047 -7.247 1
1 58 . 5 1 1 A 5 5 ARG H H 5 7.150 8.642 -1.492 1
1 59 . 5 1 1 A 5 5 ARG HA H 5 3.830 4.198 -0.368 1
1 66 . 5 1 1 A 5 5 ARG C C 5 175.900 177.101 -1.201 1
1 67 . 5 1 1 A 5 5 ARG CA C 5 57.300 57.587 -0.287 1
1 68 . 5 1 1 A 5 5 ARG CB C 5 29.400 28.939 0.461 1
1 71 . 5 1 1 A 5 5 ARG N N 5 115.100 117.579 -2.479 1
1 72 . 5 1 1 A 6 6 ASP H H 6 7.600 7.494 0.106 1
1 73 . 5 1 1 A 6 6 ASP HA H 6 4.490 4.563 -0.073 1
1 76 . 5 1 1 A 6 6 ASP C C 6 175.700 176.100 -0.400 1
1 77 . 5 1 1 A 6 6 ASP CA C 6 54.700 54.325 0.375 1
1 78 . 5 1 1 A 6 6 ASP CB C 6 42.000 40.804 1.196 1
1 79 . 5 1 1 A 6 6 ASP N N 6 117.000 119.431 -2.431 1
1 80 . 5 1 1 A 7 7 ALA H H 7 6.990 7.386 -0.396 1
1 81 . 5 1 1 A 7 7 ALA HA H 7 4.390 4.503 -0.113 1
1 85 . 5 1 1 A 7 7 ALA C C 7 175.300 176.608 -1.308 1
1 86 . 5 1 1 A 7 7 ALA CA C 7 51.600 52.205 -0.605 1
1 87 . 5 1 1 A 7 7 ALA CB C 7 19.500 20.828 -1.328 1
1 88 . 5 1 1 A 7 7 ALA N N 7 122.200 121.303 0.897 1
1 89 . 5 1 1 A 8 8 LYS H H 8 8.270 8.670 -0.400 1
1 90 . 5 1 1 A 8 8 LYS HA H 8 4.480 4.822 -0.342 1
1 99 . 5 1 1 A 8 8 LYS C C 8 175.600 176.119 -0.519 1
1 100 . 5 1 1 A 8 8 LYS CA C 8 53.800 54.449 -0.649 1
1 101 . 5 1 1 A 8 8 LYS CB C 8 34.600 35.218 -0.618 1
1 105 . 5 1 1 A 8 8 LYS N N 8 118.500 118.689 -0.189 1
1 106 . 5 1 1 A 9 9 CYS H H 9 8.400 8.622 -0.222 1
1 107 . 5 1 1 A 9 9 CYS HA H 9 3.630 4.536 -0.906 1
1 110 . 5 1 1 A 9 9 CYS C C 9 175.700 175.436 0.264 1
1 111 . 5 1 1 A 9 9 CYS CA C 9 60.300 60.387 -0.087 1
1 112 . 5 1 1 A 9 9 CYS CB C 9 26.700 27.393 -0.693 1
1 113 . 5 1 1 A 9 9 CYS N N 9 117.100 120.124 -3.024 1
1 114 . 5 1 1 A 10 10 GLY H H 10 8.950 9.501 -0.551 1
1 115 . 5 1 1 A 10 10 GLY HA2 H 10 3.790 3.948 -0.158 1
1 116 . 5 1 1 A 10 10 GLY HA3 H 10 4.350 4.006 0.344 1
1 117 . 5 1 1 A 10 10 GLY C C 10 174.600 173.637 0.963 1
1 118 . 5 1 1 A 10 10 GLY CA C 10 44.600 45.716 -1.116 1
1 119 . 5 1 1 A 10 10 GLY N N 10 114.200 112.987 1.213 1
1 120 . 5 1 1 A 11 11 GLN H H 11 7.750 7.509 0.241 1
1 121 . 5 1 1 A 11 11 GLN HA H 11 4.500 4.806 -0.306 1
1 128 . 5 1 1 A 11 11 GLN C C 11 174.200 175.088 -0.888 1
1 129 . 5 1 1 A 11 11 GLN CA C 11 56.000 54.169 1.831 1
1 130 . 5 1 1 A 11 11 GLN CB C 11 29.400 31.076 -1.676 1
1 132 . 5 1 1 A 11 11 GLN N N 11 118.900 119.841 -0.941 1
1 134 . 5 1 1 A 12 12 THR H H 12 8.380 8.732 -0.352 1
1 135 . 5 1 1 A 12 12 THR HA H 12 5.330 5.094 0.236 1
1 140 . 5 1 1 A 12 12 THR C C 12 174.100 174.699 -0.599 1
1 141 . 5 1 1 A 12 12 THR CA C 12 62.100 61.973 0.127 1
1 142 . 5 1 1 A 12 12 THR CB C 12 69.600 69.789 -0.189 1
1 144 . 5 1 1 A 12 12 THR N N 12 116.600 118.246 -1.646 1
1 145 . 5 1 1 A 13 13 VAL H H 13 9.190 9.661 -0.471 1
1 146 . 5 1 1 A 13 13 VAL HA H 13 5.140 5.379 -0.239 1
1 154 . 5 1 1 A 13 13 VAL C C 13 173.200 174.230 -1.030 1
1 155 . 5 1 1 A 13 13 VAL CA C 13 57.300 58.809 -1.509 1
1 156 . 5 1 1 A 13 13 VAL CB C 13 35.100 34.999 0.101 1
1 159 . 5 1 1 A 13 13 VAL N N 13 117.500 121.985 -4.485 1
1 160 . 5 1 1 A 14 14 LYS H H 14 9.000 9.124 -0.124 1
1 161 . 5 1 1 A 14 14 LYS HA H 14 5.350 5.021 0.329 1
1 170 . 5 1 1 A 14 14 LYS C C 14 176.900 176.012 0.888 1
1 171 . 5 1 1 A 14 14 LYS CA C 14 53.800 54.760 -0.960 1
1 172 . 5 1 1 A 14 14 LYS CB C 14 35.500 34.779 0.721 1
1 176 . 5 1 1 A 14 14 LYS N N 14 120.300 122.265 -1.965 1
1 177 . 5 1 1 A 15 15 VAL H H 15 8.620 9.091 -0.471 1
1 178 . 5 1 1 A 15 15 VAL HA H 15 3.880 4.077 -0.197 1
1 186 . 5 1 1 A 15 15 VAL C C 15 176.700 176.738 -0.038 1
1 187 . 5 1 1 A 15 15 VAL CA C 15 64.300 63.369 0.931 1
1 188 . 5 1 1 A 15 15 VAL CB C 15 31.500 31.137 0.363 1
1 191 . 5 1 1 A 15 15 VAL N N 15 123.100 124.248 -1.148 1
1 192 . 5 1 1 A 16 16 VAL H H 16 9.580 9.008 0.572 1
1 193 . 5 1 1 A 16 16 VAL HA H 16 4.100 4.396 -0.296 1
1 201 . 5 1 1 A 16 16 VAL C C 16 175.300 175.572 -0.272 1
1 202 . 5 1 1 A 16 16 VAL CA C 16 63.400 62.360 1.040 1
1 203 . 5 1 1 A 16 16 VAL CB C 16 33.700 33.292 0.408 1
1 206 . 5 1 1 A 16 16 VAL N N 16 130.100 122.573 7.527 1
1 207 . 5 1 1 A 17 17 LYS H H 17 7.490 7.486 0.004 1
1 208 . 5 1 1 A 17 17 LYS HA H 17 4.380 4.858 -0.478 1
1 217 . 5 1 1 A 17 17 LYS C C 17 172.900 173.911 -1.011 1
1 218 . 5 1 1 A 17 17 LYS CA C 17 56.200 55.256 0.944 1
1 219 . 5 1 1 A 17 17 LYS CB C 17 35.500 35.856 -0.356 1
1 223 . 5 1 1 A 17 17 LYS N N 17 116.800 121.311 -4.511 1
1 224 . 5 1 1 A 18 18 LEU H H 18 8.520 8.916 -0.396 1
1 225 . 5 1 1 A 18 18 LEU HA H 18 4.890 4.936 -0.046 1
1 235 . 5 1 1 A 18 18 LEU C C 18 175.600 175.846 -0.246 1
1 236 . 5 1 1 A 18 18 LEU CA C 18 53.800 53.319 0.481 1
1 237 . 5 1 1 A 18 18 LEU CB C 18 42.500 43.297 -0.797 1
1 241 . 5 1 1 A 18 18 LEU N N 18 124.100 127.680 -3.580 1
1 242 . 5 1 1 A 19 19 HIS H H 19 8.790 8.863 -0.073 1
1 243 . 5 1 1 A 19 19 HIS HA H 19 4.620 4.966 -0.346 1
1 248 . 5 1 1 A 19 19 HIS C C 19 173.000 174.747 -1.747 1
1 249 . 5 1 1 A 19 19 HIS CA C 19 55.500 55.054 0.446 1
1 250 . 5 1 1 A 19 19 HIS CB C 19 32.800 32.236 0.564 1
1 253 . 5 1 1 A 19 19 HIS N N 19 122.700 123.488 -0.788 1
1 254 . 5 1 1 A 20 20 GLY H H 20 8.100 8.605 -0.505 1
1 255 . 5 1 1 A 20 20 GLY HA2 H 20 3.920 4.132 -0.212 1
1 256 . 5 1 1 A 20 20 GLY HA3 H 20 4.510 4.135 0.375 1
1 257 . 5 1 1 A 20 20 GLY C C 20 174.500 173.011 1.489 1
1 258 . 5 1 1 A 20 20 GLY CA C 20 44.200 44.210 -0.010 1
1 259 . 5 1 1 A 20 20 GLY N N 20 103.400 108.904 -5.504 1
1 260 . 5 1 1 A 21 21 THR H H 21 7.750 8.603 -0.853 1
1 261 . 5 1 1 A 21 21 THR HA H 21 4.450 4.486 -0.036 1
1 266 . 5 1 1 A 21 21 THR C C 21 175.400 174.974 0.426 1
1 267 . 5 1 1 A 21 21 THR CA C 21 60.800 60.995 -0.195 1
1 268 . 5 1 1 A 21 21 THR CB C 21 70.900 67.387 3.513 1
1 270 . 5 1 1 A 21 21 THR N N 21 108.600 114.608 -6.008 1
1 271 . 5 1 1 A 22 22 GLY H H 22 8.780 8.720 0.060 1
1 272 . 5 1 1 A 22 22 GLY HA2 H 22 3.750 3.865 -0.115 1
1 273 . 5 1 1 A 22 22 GLY HA3 H 22 4.030 3.866 0.164 1
1 274 . 5 1 1 A 22 22 GLY C C 22 176.200 175.549 0.651 1
1 275 . 5 1 1 A 22 22 GLY CA C 22 47.300 47.321 -0.021 1
1 276 . 5 1 1 A 22 22 GLY N N 22 108.600 116.800 -8.200 1
1 277 . 5 1 1 A 23 23 ALA H H 23 8.480 8.704 -0.224 1
1 278 . 5 1 1 A 23 23 ALA HA H 23 4.080 3.980 0.100 1
1 282 . 5 1 1 A 23 23 ALA C C 23 180.100 179.397 0.703 1
1 283 . 5 1 1 A 23 23 ALA CA C 23 54.700 54.716 -0.016 1
1 284 . 5 1 1 A 23 23 ALA CB C 23 18.400 18.598 -0.198 1
1 285 . 5 1 1 A 23 23 ALA N N 23 123.300 124.038 -0.738 1
1 286 . 5 1 1 A 24 24 LEU H H 24 7.830 8.055 -0.225 1
1 287 . 5 1 1 A 24 24 LEU HA H 24 4.120 4.105 0.015 1
1 297 . 5 1 1 A 24 24 LEU C C 24 178.600 178.792 -0.192 1
1 298 . 5 1 1 A 24 24 LEU CA C 24 57.800 57.679 0.121 1
1 299 . 5 1 1 A 24 24 LEU CB C 24 41.100 41.594 -0.494 1
1 303 . 5 1 1 A 24 24 LEU N N 24 120.400 120.058 0.342 1
1 304 . 5 1 1 A 25 25 LYS H H 25 7.960 8.254 -0.294 1
1 305 . 5 1 1 A 25 25 LYS HA H 25 3.750 3.808 -0.058 1
1 314 . 5 1 1 A 25 25 LYS C C 25 178.300 179.025 -0.725 1
1 315 . 5 1 1 A 25 25 LYS CA C 25 60.400 60.389 0.011 1
1 316 . 5 1 1 A 25 25 LYS CB C 25 32.000 32.194 -0.194 1
1 320 . 5 1 1 A 25 25 LYS N N 25 118.000 119.184 -1.184 1
1 321 . 5 1 1 A 26 26 ARG H H 26 7.890 7.944 -0.054 1
1 322 . 5 1 1 A 26 26 ARG HA H 26 3.970 3.944 0.026 1
1 329 . 5 1 1 A 26 26 ARG C C 26 177.700 178.819 -1.119 1
1 330 . 5 1 1 A 26 26 ARG CA C 26 58.700 59.413 -0.713 1
1 331 . 5 1 1 A 26 26 ARG CB C 26 30.000 29.517 0.483 1
1 334 . 5 1 1 A 26 26 ARG N N 26 117.100 119.943 -2.843 1
1 335 . 5 1 1 A 27 27 ARG H H 27 7.660 7.419 0.241 1
1 336 . 5 1 1 A 27 27 ARG HA H 27 4.100 4.110 -0.010 1
1 343 . 5 1 1 A 27 27 ARG C C 27 179.000 178.899 0.101 1
1 344 . 5 1 1 A 27 27 ARG CA C 27 59.100 58.043 1.057 1
1 345 . 5 1 1 A 27 27 ARG CB C 27 29.800 30.037 -0.237 1
1 348 . 5 1 1 A 27 27 ARG N N 27 118.600 119.852 -1.252 1
1 349 . 5 1 1 A 28 28 ILE H H 28 7.970 8.038 -0.068 1
1 350 . 5 1 1 A 28 28 ILE HA H 28 3.740 3.655 0.085 1
1 360 . 5 1 1 A 28 28 ILE C C 28 178.700 177.922 0.778 1
1 361 . 5 1 1 A 28 28 ILE CA C 28 64.800 65.168 -0.368 1
1 362 . 5 1 1 A 28 28 ILE CB C 28 38.100 38.443 -0.343 1
1 366 . 5 1 1 A 28 28 ILE N N 28 119.400 119.915 -0.515 1
1 367 . 5 1 1 A 29 29 MET H H 29 8.420 8.425 -0.005 1
1 368 . 5 1 1 A 29 29 MET HA H 29 4.370 4.707 -0.337 1
1 376 . 5 1 1 A 29 29 MET C C 29 181.400 177.975 3.425 1
1 377 . 5 1 1 A 29 29 MET CA C 29 59.100 58.300 0.800 1
1 378 . 5 1 1 A 29 29 MET CB C 29 32.800 31.829 0.971 1
1 381 . 5 1 1 A 29 29 MET N N 29 119.900 118.327 1.573 1
1 382 . 5 1 1 A 30 30 ASP H H 30 8.650 8.755 -0.105 1
1 383 . 5 1 1 A 30 30 ASP HA H 30 4.440 4.326 0.114 1
1 386 . 5 1 1 A 30 30 ASP C C 30 178.200 178.113 0.087 1
1 387 . 5 1 1 A 30 30 ASP CA C 30 56.700 57.717 -1.017 1
1 388 . 5 1 1 A 30 30 ASP CB C 30 39.900 42.216 -2.316 1
1 389 . 5 1 1 A 30 30 ASP N N 30 121.800 120.571 1.229 1
1 390 . 5 1 1 A 31 31 MET H H 31 7.570 7.460 0.110 1
1 391 . 5 1 1 A 31 31 MET HA H 31 4.290 4.385 -0.095 1
1 399 . 5 1 1 A 31 31 MET C C 31 175.700 176.003 -0.303 1
1 400 . 5 1 1 A 31 31 MET CA C 31 56.800 55.821 0.979 1
1 401 . 5 1 1 A 31 31 MET CB C 31 33.300 32.186 1.114 1
1 404 . 5 1 1 A 31 31 MET N N 31 117.500 116.221 1.279 1
1 405 . 5 1 1 A 32 32 GLY H H 32 7.990 7.565 0.425 1
1 406 . 5 1 1 A 32 32 GLY HA2 H 32 4.270 4.019 0.251 1
1 407 . 5 1 1 A 32 32 GLY HA3 H 32 3.630 4.020 -0.390 1
1 408 . 5 1 1 A 32 32 GLY C C 32 173.600 174.635 -1.035 1
1 409 . 5 1 1 A 32 32 GLY CA C 32 44.200 45.123 -0.923 1
1 410 . 5 1 1 A 32 32 GLY N N 32 104.400 105.416 -1.016 1
1 411 . 5 1 1 A 33 33 ILE H H 33 7.140 7.258 -0.118 1
1 412 . 5 1 1 A 33 33 ILE HA H 33 4.120 4.035 0.085 1
1 422 . 5 1 1 A 33 33 ILE C C 33 172.400 175.535 -3.135 1
1 423 . 5 1 1 A 33 33 ILE CA C 33 61.700 61.535 0.165 1
1 424 . 5 1 1 A 33 33 ILE CB C 33 37.200 37.389 -0.189 1
1 428 . 5 1 1 A 33 33 ILE N N 33 120.800 122.543 -1.743 1
1 429 . 5 1 1 A 34 34 THR H H 34 6.930 8.574 -1.644 1
1 430 . 5 1 1 A 34 34 THR HA H 34 4.590 5.151 -0.561 1
1 435 . 5 1 1 A 34 34 THR C C 34 174.400 173.419 0.981 1
1 436 . 5 1 1 A 34 34 THR CA C 34 58.300 59.417 -1.117 1
1 437 . 5 1 1 A 34 34 THR CB C 34 72.200 71.693 0.507 1
1 439 . 5 1 1 A 34 34 THR N N 34 113.300 117.629 -4.329 1
1 440 . 5 1 1 A 35 35 ARG H H 35 8.760 8.645 0.115 1
1 441 . 5 1 1 A 35 35 ARG HA H 35 3.520 4.103 -0.583 1
1 448 . 5 1 1 A 35 35 ARG C C 35 176.800 176.939 -0.139 1
1 449 . 5 1 1 A 35 35 ARG CA C 35 58.700 58.047 0.653 1
1 450 . 5 1 1 A 35 35 ARG CB C 35 29.700 29.544 0.156 1
1 453 . 5 1 1 A 35 35 ARG N N 35 121.300 121.859 -0.559 1
1 454 . 5 1 1 A 36 36 GLY H H 36 8.950 9.687 -0.737 1
1 455 . 5 1 1 A 36 36 GLY HA2 H 36 4.460 3.962 0.498 1
1 456 . 5 1 1 A 36 36 GLY HA3 H 36 3.560 3.966 -0.406 1
1 457 . 5 1 1 A 36 36 GLY C C 36 173.900 174.505 -0.605 1
1 458 . 5 1 1 A 36 36 GLY CA C 36 44.700 45.065 -0.365 1
1 459 . 5 1 1 A 36 36 GLY N N 36 114.200 112.226 1.974 1
1 460 . 5 1 1 A 37 37 CYS H H 37 7.950 7.815 0.135 1
1 461 . 5 1 1 A 37 37 CYS HA H 37 4.550 4.526 0.024 1
1 464 . 5 1 1 A 37 37 CYS C C 37 172.900 174.647 -1.747 1
1 465 . 5 1 1 A 37 37 CYS CA C 37 59.200 59.071 0.129 1
1 466 . 5 1 1 A 37 37 CYS CB C 37 28.000 28.606 -0.606 1
1 467 . 5 1 1 A 37 37 CYS N N 37 118.400 120.569 -2.169 1
1 468 . 5 1 1 A 38 38 GLU H H 38 8.540 8.733 -0.193 1
1 469 . 5 1 1 A 38 38 GLU HA H 38 5.160 5.208 -0.048 1
1 474 . 5 1 1 A 38 38 GLU C C 38 176.000 175.846 0.154 1
1 475 . 5 1 1 A 38 38 GLU CA C 38 55.300 55.411 -0.111 1
1 476 . 5 1 1 A 38 38 GLU CB C 38 31.500 30.823 0.677 1
1 478 . 5 1 1 A 38 38 GLU N N 38 123.100 121.694 1.406 1
1 479 . 5 1 1 A 39 39 ILE H H 39 9.360 9.602 -0.242 1
1 480 . 5 1 1 A 39 39 ILE HA H 39 4.600 4.801 -0.201 1
1 490 . 5 1 1 A 39 39 ILE C C 39 173.700 174.519 -0.819 1
1 491 . 5 1 1 A 39 39 ILE CA C 39 60.500 60.268 0.232 1
1 492 . 5 1 1 A 39 39 ILE CB C 39 41.300 40.605 0.695 1
1 496 . 5 1 1 A 39 39 ILE N N 39 124.000 126.562 -2.562 1
1 497 . 5 1 1 A 40 40 TYR H H 40 8.540 9.088 -0.548 1
1 498 . 5 1 1 A 40 40 TYR HA H 40 5.340 5.780 -0.440 1
1 505 . 5 1 1 A 40 40 TYR C C 40 175.000 175.613 -0.613 1
1 506 . 5 1 1 A 40 40 TYR CA C 40 55.900 55.941 -0.041 1
1 507 . 5 1 1 A 40 40 TYR CB C 40 40.900 40.270 0.630 1
1 510 . 5 1 1 A 40 40 TYR N N 40 127.000 124.869 2.131 1
1 511 . 5 1 1 A 41 41 ILE H H 41 7.850 8.745 -0.895 1
1 512 . 5 1 1 A 41 41 ILE HA H 41 3.910 4.001 -0.091 1
1 522 . 5 1 1 A 41 41 ILE C C 41 173.600 176.123 -2.523 1
1 523 . 5 1 1 A 41 41 ILE CA C 41 61.500 61.388 0.112 1
1 524 . 5 1 1 A 41 41 ILE CB C 41 35.800 37.390 -1.590 1
1 528 . 5 1 1 A 41 41 ILE N N 41 127.800 124.888 2.912 1
1 529 . 5 1 1 A 42 42 ARG H H 42 8.460 9.088 -0.628 1
1 530 . 5 1 1 A 42 42 ARG HA H 42 4.110 4.292 -0.182 1
1 537 . 5 1 1 A 42 42 ARG C C 42 176.500 175.673 0.827 1
1 538 . 5 1 1 A 42 42 ARG CA C 42 57.700 57.937 -0.237 1
1 539 . 5 1 1 A 42 42 ARG CB C 42 31.400 31.260 0.140 1
1 542 . 5 1 1 A 42 42 ARG N N 42 128.100 129.265 -1.165 1
1 543 . 5 1 1 A 43 43 LYS H H 43 7.920 7.620 0.300 1
1 544 . 5 1 1 A 43 43 LYS HA H 43 4.530 4.880 -0.350 1
1 553 . 5 1 1 A 43 43 LYS C C 43 173.100 174.335 -1.235 1
1 554 . 5 1 1 A 43 43 LYS CA C 43 56.400 55.355 1.045 1
1 555 . 5 1 1 A 43 43 LYS CB C 43 36.100 36.318 -0.218 1
1 559 . 5 1 1 A 43 43 LYS N N 43 116.400 116.846 -0.446 1
1 560 . 5 1 1 A 44 44 VAL H H 44 8.450 8.997 -0.547 1
1 561 . 5 1 1 A 44 44 VAL HA H 44 4.260 4.707 -0.447 1
1 569 . 5 1 1 A 44 44 VAL C C 44 175.000 175.544 -0.544 1
1 570 . 5 1 1 A 44 44 VAL CA C 44 61.500 61.002 0.498 1
1 571 . 5 1 1 A 44 44 VAL CB C 44 34.200 33.445 0.755 1
1 574 . 5 1 1 A 44 44 VAL N N 44 123.900 124.284 -0.384 1
1 575 . 5 1 1 A 45 45 ALA H H 45 7.550 8.123 -0.573 1
1 576 . 5 1 1 A 45 45 ALA HA H 45 4.480 4.484 -0.004 1
1 580 . 5 1 1 A 45 45 ALA CA C 45 51.500 50.566 0.934 1
1 581 . 5 1 1 A 45 45 ALA CB C 45 17.600 17.906 -0.306 1
1 582 . 5 1 1 A 45 45 ALA N N 45 129.600 130.769 -1.169 1
1 583 . 5 1 1 A 46 46 PRO HA H 46 4.290 4.463 -0.173 1
1 590 . 5 1 1 A 46 46 PRO C C 46 177.800 177.874 -0.074 1
1 591 . 5 1 1 A 46 46 PRO CA C 46 65.500 64.342 1.158 1
1 592 . 5 1 1 A 46 46 PRO CB C 46 31.600 31.731 -0.131 1
1 595 . 5 1 1 A 47 47 LEU H H 47 8.330 7.774 0.556 1
1 596 . 5 1 1 A 47 47 LEU HA H 47 4.330 4.314 0.016 1
1 606 . 5 1 1 A 47 47 LEU C C 47 178.000 177.303 0.697 1
1 607 . 5 1 1 A 47 47 LEU CA C 47 55.300 55.200 0.100 1
1 608 . 5 1 1 A 47 47 LEU CB C 47 40.300 42.430 -2.130 1
1 612 . 5 1 1 A 47 47 LEU N N 47 115.100 116.831 -1.731 1
1 613 . 5 1 1 A 48 48 GLY H H 48 8.420 9.769 -1.349 1
1 614 . 5 1 1 A 48 48 GLY HA2 H 48 4.090 3.906 0.184 1
1 615 . 5 1 1 A 48 48 GLY HA3 H 48 3.490 3.906 -0.416 1
1 616 . 5 1 1 A 48 48 GLY C C 48 171.900 173.066 -1.166 1
1 617 . 5 1 1 A 48 48 GLY CA C 48 45.500 45.487 0.013 1
1 618 . 5 1 1 A 48 48 GLY N N 48 107.400 106.463 0.937 1
1 619 . 5 1 1 A 49 49 ASP H H 49 6.850 7.671 -0.821 1
1 620 . 5 1 1 A 49 49 ASP HA H 49 5.050 5.105 -0.055 1
1 623 . 5 1 1 A 49 49 ASP CA C 49 50.200 51.687 -1.487 1
1 624 . 5 1 1 A 49 49 ASP CB C 49 45.300 42.912 2.388 1
1 625 . 5 1 1 A 49 49 ASP N N 49 116.000 115.858 0.142 1
1 626 . 5 1 1 A 50 50 PRO HA H 50 5.450 4.716 0.734 1
1 633 . 5 1 1 A 50 50 PRO C C 50 174.900 175.568 -0.668 1
1 634 . 5 1 1 A 50 50 PRO CA C 50 63.900 62.363 1.537 1
1 635 . 5 1 1 A 50 50 PRO CB C 50 35.600 32.437 3.163 1
1 638 . 5 1 1 A 51 51 ILE H H 51 8.980 9.168 -0.188 1
1 639 . 5 1 1 A 51 51 ILE HA H 51 4.400 4.515 -0.115 1
1 649 . 5 1 1 A 51 51 ILE C C 51 174.500 175.009 -0.509 1
1 650 . 5 1 1 A 51 51 ILE CA C 51 61.100 60.264 0.836 1
1 651 . 5 1 1 A 51 51 ILE CB C 51 40.900 38.967 1.933 1
1 655 . 5 1 1 A 51 51 ILE N N 51 118.100 121.304 -3.204 1
1 656 . 5 1 1 A 52 52 GLN H H 52 9.060 9.311 -0.251 1
1 657 . 5 1 1 A 52 52 GLN HA H 52 5.160 4.778 0.382 1
1 664 . 5 1 1 A 52 52 GLN C C 52 175.800 175.725 0.075 1
1 665 . 5 1 1 A 52 52 GLN CA C 52 54.900 55.698 -0.798 1
1 666 . 5 1 1 A 52 52 GLN CB C 52 29.600 29.749 -0.149 1
1 668 . 5 1 1 A 52 52 GLN N N 52 126.100 126.976 -0.876 1
1 670 . 5 1 1 A 53 53 ILE H H 53 9.080 9.134 -0.054 1
1 671 . 5 1 1 A 53 53 ILE HA H 53 5.440 5.089 0.351 1
1 681 . 5 1 1 A 53 53 ILE C C 53 174.000 173.705 0.295 1
1 682 . 5 1 1 A 53 53 ILE CA C 53 58.700 58.777 -0.077 1
1 683 . 5 1 1 A 53 53 ILE CB C 53 41.500 41.688 -0.188 1
1 687 . 5 1 1 A 53 53 ILE N N 53 117.600 118.967 -1.367 1
1 688 . 5 1 1 A 54 54 ASN H H 54 9.360 8.129 1.231 1
1 689 . 5 1 1 A 54 54 ASN HA H 54 5.840 5.586 0.254 1
1 694 . 5 1 1 A 54 54 ASN C C 54 174.800 173.913 0.887 1
1 695 . 5 1 1 A 54 54 ASN CA C 54 52.300 51.595 0.705 1
1 696 . 5 1 1 A 54 54 ASN CB C 54 42.200 40.818 1.382 1
1 697 . 5 1 1 A 54 54 ASN N N 54 120.100 120.716 -0.616 1
1 699 . 5 1 1 A 55 55 VAL H H 55 8.900 8.660 0.240 1
1 700 . 5 1 1 A 55 55 VAL HA H 55 4.480 4.554 -0.074 1
1 708 . 5 1 1 A 55 55 VAL C C 55 174.400 176.156 -1.756 1
1 709 . 5 1 1 A 55 55 VAL CA C 55 60.800 60.869 -0.069 1
1 710 . 5 1 1 A 55 55 VAL CB C 55 34.300 34.231 0.069 1
1 713 . 5 1 1 A 55 55 VAL N N 55 124.400 126.156 -1.756 1
1 714 . 5 1 1 A 56 56 ARG H H 56 9.680 9.195 0.485 1
1 715 . 5 1 1 A 56 56 ARG HA H 56 3.880 3.890 -0.010 1
1 722 . 5 1 1 A 56 56 ARG C C 56 175.000 176.165 -1.165 1
1 723 . 5 1 1 A 56 56 ARG CA C 56 57.200 58.787 -1.587 1
1 724 . 5 1 1 A 56 56 ARG CB C 56 28.400 28.800 -0.400 1
1 727 . 5 1 1 A 56 56 ARG N N 56 125.100 122.816 2.284 1
1 728 . 5 1 1 A 57 57 GLY H H 57 8.130 8.322 -0.192 1
1 729 . 5 1 1 A 57 57 GLY HA2 H 57 4.130 4.140 -0.010 1
1 730 . 5 1 1 A 57 57 GLY HA3 H 57 3.610 4.143 -0.533 1
1 731 . 5 1 1 A 57 57 GLY C C 57 174.300 173.172 1.128 1
1 732 . 5 1 1 A 57 57 GLY CA C 57 45.300 45.802 -0.502 1
1 733 . 5 1 1 A 57 57 GLY N N 57 103.500 105.504 -2.004 1
1 734 . 5 1 1 A 58 58 TYR H H 58 8.180 8.026 0.154 1
1 735 . 5 1 1 A 58 58 TYR HA H 58 4.750 4.991 -0.241 1
1 742 . 5 1 1 A 58 58 TYR C C 58 174.500 174.163 0.337 1
1 743 . 5 1 1 A 58 58 TYR CA C 58 56.600 56.563 0.037 1
1 744 . 5 1 1 A 58 58 TYR CB C 58 39.500 42.077 -2.577 1
1 747 . 5 1 1 A 58 58 TYR N N 58 121.300 120.029 1.271 1
1 748 . 5 1 1 A 59 59 GLU H H 59 8.480 8.567 -0.087 1
1 749 . 5 1 1 A 59 59 GLU HA H 59 5.120 4.761 0.359 1
1 754 . 5 1 1 A 59 59 GLU C C 59 178.400 175.228 3.172 1
1 755 . 5 1 1 A 59 59 GLU CA C 59 55.200 56.204 -1.004 1
1 756 . 5 1 1 A 59 59 GLU CB C 59 30.400 30.192 0.208 1
1 758 . 5 1 1 A 59 59 GLU N N 59 122.400 125.520 -3.120 1
1 759 . 5 1 1 A 60 60 LEU H H 60 8.900 9.657 -0.757 1
1 760 . 5 1 1 A 60 60 LEU HA H 60 4.830 5.162 -0.332 1
1 770 . 5 1 1 A 60 60 LEU C C 60 175.100 175.879 -0.779 1
1 771 . 5 1 1 A 60 60 LEU CA C 60 53.800 53.531 0.269 1
1 772 . 5 1 1 A 60 60 LEU CB C 60 46.200 43.605 2.595 1
1 776 . 5 1 1 A 60 60 LEU N N 60 124.600 127.936 -3.336 1
1 777 . 5 1 1 A 61 61 SER H H 61 8.390 8.965 -0.575 1
1 778 . 5 1 1 A 61 61 SER HA H 61 5.150 5.012 0.138 1
1 781 . 5 1 1 A 61 61 SER C C 61 173.300 173.318 -0.018 1
1 782 . 5 1 1 A 61 61 SER CA C 61 56.600 58.185 -1.585 1
1 783 . 5 1 1 A 61 61 SER CB C 61 63.900 63.768 0.132 1
1 784 . 5 1 1 A 61 61 SER N N 61 116.100 121.328 -5.228 1
1 785 . 5 1 1 A 62 62 LEU H H 62 9.190 9.234 -0.044 1
1 786 . 5 1 1 A 62 62 LEU HA H 62 4.700 5.168 -0.468 1
1 796 . 5 1 1 A 62 62 LEU C C 62 175.800 175.106 0.694 1
1 797 . 5 1 1 A 62 62 LEU CA C 62 53.000 53.351 -0.351 1
1 798 . 5 1 1 A 62 62 LEU CB C 62 45.900 45.696 0.204 1
1 802 . 5 1 1 A 62 62 LEU N N 62 126.800 129.201 -2.401 1
1 803 . 5 1 1 A 63 63 ARG H H 63 8.670 8.880 -0.210 1
1 804 . 5 1 1 A 63 63 ARG HA H 63 4.640 4.609 0.031 1
1 811 . 5 1 1 A 63 63 ARG C C 63 176.000 177.457 -1.457 1
1 812 . 5 1 1 A 63 63 ARG CA C 63 53.700 54.540 -0.840 1
1 813 . 5 1 1 A 63 63 ARG CB C 63 29.100 32.334 -3.234 1
1 816 . 5 1 1 A 63 63 ARG N N 63 120.600 124.658 -4.058 1
1 817 . 5 1 1 A 64 64 LYS H H 64 8.900 8.908 -0.008 1
1 818 . 5 1 1 A 64 64 LYS HA H 64 3.800 4.022 -0.222 1
1 827 . 5 1 1 A 64 64 LYS C C 64 177.100 178.380 -1.280 1
1 828 . 5 1 1 A 64 64 LYS CA C 64 60.200 58.878 1.322 1
1 829 . 5 1 1 A 64 64 LYS CB C 64 32.300 31.938 0.362 1
1 833 . 5 1 1 A 64 64 LYS N N 64 124.600 122.035 2.565 1
1 834 . 5 1 1 A 65 65 SER H H 65 8.380 8.014 0.366 1
1 835 . 5 1 1 A 65 65 SER HA H 65 4.130 4.058 0.072 1
1 838 . 5 1 1 A 65 65 SER C C 65 176.000 176.893 -0.893 1
1 839 . 5 1 1 A 65 65 SER CA C 65 60.300 61.992 -1.692 1
1 840 . 5 1 1 A 65 65 SER CB C 65 61.900 62.763 -0.863 1
1 841 . 5 1 1 A 65 65 SER N N 65 110.900 117.245 -6.345 1
1 842 . 5 1 1 A 66 66 ALA H H 66 6.910 7.432 -0.522 1
1 843 . 5 1 1 A 66 66 ALA HA H 66 4.290 4.176 0.114 1
1 847 . 5 1 1 A 66 66 ALA C C 66 178.800 179.735 -0.935 1
1 848 . 5 1 1 A 66 66 ALA CA C 66 54.000 54.944 -0.944 1
1 849 . 5 1 1 A 66 66 ALA CB C 66 18.800 18.444 0.356 1
1 850 . 5 1 1 A 66 66 ALA N N 66 122.600 123.828 -1.228 1
1 851 . 5 1 1 A 67 67 ALA H H 67 8.050 7.919 0.131 1
1 852 . 5 1 1 A 67 67 ALA HA H 67 3.850 4.076 -0.226 1
1 856 . 5 1 1 A 67 67 ALA C C 67 178.800 178.715 0.085 1
1 857 . 5 1 1 A 67 67 ALA CA C 67 54.900 54.584 0.316 1
1 858 . 5 1 1 A 67 67 ALA CB C 67 18.700 18.168 0.532 1
1 859 . 5 1 1 A 67 67 ALA N N 67 118.800 120.329 -1.529 1
1 860 . 5 1 1 A 68 68 GLU H H 68 7.910 7.934 -0.024 1
1 861 . 5 1 1 A 68 68 GLU HA H 68 4.150 4.131 0.019 1
1 866 . 5 1 1 A 68 68 GLU C C 68 175.900 176.943 -1.043 1
1 867 . 5 1 1 A 68 68 GLU CA C 68 57.200 58.090 -0.890 1
1 868 . 5 1 1 A 68 68 GLU CB C 68 29.800 29.720 0.080 1
1 870 . 5 1 1 A 68 68 GLU N N 68 113.100 117.571 -4.471 1
1 871 . 5 1 1 A 69 69 MET H H 69 7.360 8.435 -1.075 1
1 872 . 5 1 1 A 69 69 MET HA H 69 4.590 4.677 -0.087 1
1 880 . 5 1 1 A 69 69 MET C C 69 174.400 175.856 -1.456 1
1 881 . 5 1 1 A 69 69 MET CA C 69 53.800 54.777 -0.977 1
1 882 . 5 1 1 A 69 69 MET CB C 69 32.400 33.836 -1.436 1
1 885 . 5 1 1 A 69 69 MET N N 69 114.100 118.194 -4.094 1
1 886 . 5 1 1 A 70 70 ILE H H 70 7.310 7.088 0.222 1
1 887 . 5 1 1 A 70 70 ILE HA H 70 4.260 4.238 0.022 1
1 897 . 5 1 1 A 70 70 ILE C C 70 174.100 175.089 -0.989 1
1 898 . 5 1 1 A 70 70 ILE CA C 70 60.900 61.050 -0.150 1
1 899 . 5 1 1 A 70 70 ILE CB C 70 38.700 38.725 -0.025 1
1 903 . 5 1 1 A 70 70 ILE N N 70 120.300 121.964 -1.664 1
1 904 . 5 1 1 A 71 71 GLU H H 71 8.910 9.189 -0.279 1
1 905 . 5 1 1 A 71 71 GLU HA H 71 4.750 5.372 -0.622 1
1 910 . 5 1 1 A 71 71 GLU C C 71 177.100 176.435 0.665 1
1 911 . 5 1 1 A 71 71 GLU CA C 71 55.900 55.790 0.110 1
1 912 . 5 1 1 A 71 71 GLU CB C 71 30.600 31.204 -0.604 1
1 914 . 5 1 1 A 71 71 GLU N N 71 129.500 128.163 1.337 1
1 915 . 5 1 1 A 72 72 VAL H H 72 8.880 9.033 -0.153 1
1 916 . 5 1 1 A 72 72 VAL HA H 72 5.520 5.468 0.052 1
1 924 . 5 1 1 A 72 72 VAL C C 72 173.200 174.391 -1.191 1
1 925 . 5 1 1 A 72 72 VAL CA C 72 58.500 58.739 -0.239 1
1 926 . 5 1 1 A 72 72 VAL CB C 72 36.200 36.155 0.045 1
1 929 . 5 1 1 A 72 72 VAL N N 72 119.400 120.486 -1.086 1
1 930 . 5 1 1 A 73 73 GLU H H 73 8.720 8.806 -0.086 1
1 931 . 5 1 1 A 73 73 GLU HA H 73 4.750 4.683 0.067 1
1 936 . 5 1 1 A 73 73 GLU C C 73 175.300 174.694 0.606 1
1 937 . 5 1 1 A 73 73 GLU CA C 73 54.000 54.304 -0.304 1
1 938 . 5 1 1 A 73 73 GLU CB C 73 33.300 33.567 -0.267 1
1 940 . 5 1 1 A 73 73 GLU N N 73 116.600 120.423 -3.823 1
1 941 . 5 1 1 A 74 74 LEU H H 74 8.780 8.328 0.452 1
1 942 . 5 1 1 A 74 74 LEU HA H 74 4.330 4.567 -0.237 1
1 952 . 5 1 1 A 74 74 LEU C C 74 176.400 177.190 -0.790 1
1 953 . 5 1 1 A 74 74 LEU CA C 74 55.400 53.838 1.562 1
1 954 . 5 1 1 A 74 74 LEU CB C 74 42.600 42.584 0.016 1
1 958 . 5 1 1 A 74 74 LEU N N 74 124.100 123.997 0.103 1
1 959 . 5 1 1 A 75 75 GLU H H 75 8.450 9.228 -0.778 1
1 960 . 5 1 1 A 75 75 GLU HA H 75 4.350 4.515 -0.165 1
1 965 . 5 1 1 A 75 75 GLU C C 75 175.700 177.501 -1.801 1
1 966 . 5 1 1 A 75 75 GLU CA C 75 55.800 56.609 -0.809 1
1 967 . 5 1 1 A 75 75 GLU CB C 75 30.500 30.716 -0.216 1
1 969 . 5 1 1 A 75 75 GLU N N 75 123.500 123.025 0.475 1
1 970 . 5 1 1 A 76 76 HIS H H 76 8.500 9.105 -0.605 1
1 971 . 5 1 1 A 76 76 HIS HA H 76 4.590 4.297 0.293 1
1 976 . 5 1 1 A 76 76 HIS C C 76 173.800 174.705 -0.905 1
1 977 . 5 1 1 A 76 76 HIS CA C 76 55.700 56.896 -1.196 1
1 978 . 5 1 1 A 76 76 HIS CB C 76 30.200 28.884 1.316 1
1 981 . 5 1 1 A 76 76 HIS N N 76 120.800 121.215 -0.415 1
1 982 . 5 1 1 A 77 77 HIS H H 77 8.100 7.846 0.254 1
1 983 . 5 1 1 A 77 77 HIS HA H 77 4.610 4.416 0.194 1
1 988 . 5 1 1 A 77 77 HIS C C 77 180.000 174.863 5.137 1
1 989 . 5 1 1 A 77 77 HIS CA C 77 56.400 55.867 0.533 1
1 990 . 5 1 1 A 77 77 HIS CB C 77 29.900 30.690 -0.790 1
1 993 . 5 1 1 A 77 77 HIS N N 77 125.100 116.428 8.672 1
1 994 . 5 1 1 A 78 78 HIS H H 78 8.250 8.769 -0.519 1
1 995 . 5 1 1 A 78 78 HIS HA H 78 4.620 4.435 0.185 1
1 1000 . 5 1 1 A 78 78 HIS C C 78 180.000 173.380 6.620 1
1 1001 . 5 1 1 A 78 78 HIS CA C 78 56.400 56.042 0.358 1
1 1002 . 5 1 1 A 78 78 HIS CB C 78 29.900 28.648 1.252 1
1 1005 . 5 1 1 A 78 78 HIS N N 78 119.400 118.810 0.590 1
1 1006 . 5 1 1 A 79 79 HIS H H 79 8.250 7.835 0.415 1
1 1007 . 5 1 1 A 79 79 HIS HA H 79 4.620 4.371 0.249 1
1 1012 . 5 1 1 A 79 79 HIS C C 79 180.000 174.678 5.322 1
1 1013 . 5 1 1 A 79 79 HIS CA C 79 56.400 55.126 1.274 1
1 1014 . 5 1 1 A 79 79 HIS CB C 79 29.900 29.458 0.442 1
1 1017 . 5 1 1 A 79 79 HIS N N 79 119.400 124.281 -4.881 1
1 1018 . 5 1 1 A 80 80 HIS H H 80 8.250 8.175 0.075 1
1 1019 . 5 1 1 A 80 80 HIS HA H 80 4.620 4.541 0.079 1
1 1024 . 5 1 1 A 80 80 HIS C C 80 180.000 174.245 5.755 1
1 1025 . 5 1 1 A 80 80 HIS CA C 80 56.400 55.783 0.617 1
1 1026 . 5 1 1 A 80 80 HIS CB C 80 29.900 28.031 1.869 1
1 1029 . 5 1 1 A 80 80 HIS N N 80 119.400 124.129 -4.729 1
1 16 . 6 1 1 A 2 2 PHE H H 2 9.360 9.609 -0.249 1
1 17 . 6 1 1 A 2 2 PHE HA H 2 4.960 5.247 -0.287 1
1 25 . 6 1 1 A 2 2 PHE C C 2 173.300 174.325 -1.025 1
1 26 . 6 1 1 A 2 2 PHE CA C 2 56.400 55.735 0.665 1
1 27 . 6 1 1 A 2 2 PHE CB C 2 38.500 41.786 -3.286 1
1 31 . 6 1 1 A 2 2 PHE N N 2 127.300 128.157 -0.857 1
1 32 . 6 1 1 A 3 3 SER H H 3 9.150 8.473 0.677 1
1 33 . 6 1 1 A 3 3 SER HA H 3 5.590 5.269 0.321 1
1 36 . 6 1 1 A 3 3 SER C C 3 176.100 175.227 0.873 1
1 37 . 6 1 1 A 3 3 SER CA C 3 56.500 56.645 -0.145 1
1 38 . 6 1 1 A 3 3 SER CB C 3 68.100 65.804 2.296 1
1 39 . 6 1 1 A 3 3 SER N N 3 124.000 118.949 5.051 1
1 40 . 6 1 1 A 4 4 LEU H H 4 8.540 8.661 -0.121 1
1 41 . 6 1 1 A 4 4 LEU HA H 4 3.770 4.111 -0.341 1
1 51 . 6 1 1 A 4 4 LEU C C 4 177.200 177.941 -0.741 1
1 52 . 6 1 1 A 4 4 LEU CA C 4 57.300 57.518 -0.218 1
1 53 . 6 1 1 A 4 4 LEU CB C 4 41.600 41.921 -0.321 1
1 57 . 6 1 1 A 4 4 LEU N N 4 120.800 123.436 -2.636 1
1 58 . 6 1 1 A 5 5 ARG H H 5 7.150 7.651 -0.501 1
1 59 . 6 1 1 A 5 5 ARG HA H 5 3.830 3.877 -0.047 1
1 66 . 6 1 1 A 5 5 ARG C C 5 175.900 178.470 -2.570 1
1 67 . 6 1 1 A 5 5 ARG CA C 5 57.300 58.913 -1.613 1
1 68 . 6 1 1 A 5 5 ARG CB C 5 29.400 29.831 -0.431 1
1 71 . 6 1 1 A 5 5 ARG N N 5 115.100 119.464 -4.364 1
1 72 . 6 1 1 A 6 6 ASP H H 6 7.600 7.413 0.187 1
1 73 . 6 1 1 A 6 6 ASP HA H 6 4.490 4.349 0.141 1
1 76 . 6 1 1 A 6 6 ASP C C 6 175.700 176.632 -0.932 1
1 77 . 6 1 1 A 6 6 ASP CA C 6 54.700 56.213 -1.513 1
1 78 . 6 1 1 A 6 6 ASP CB C 6 42.000 40.300 1.700 1
1 79 . 6 1 1 A 6 6 ASP N N 6 117.000 117.522 -0.522 1
1 80 . 6 1 1 A 7 7 ALA H H 7 6.990 6.882 0.108 1
1 81 . 6 1 1 A 7 7 ALA HA H 7 4.390 4.518 -0.128 1
1 85 . 6 1 1 A 7 7 ALA C C 7 175.300 177.375 -2.075 1
1 86 . 6 1 1 A 7 7 ALA CA C 7 51.600 52.879 -1.279 1
1 87 . 6 1 1 A 7 7 ALA CB C 7 19.500 19.269 0.231 1
1 88 . 6 1 1 A 7 7 ALA N N 7 122.200 121.830 0.370 1
1 89 . 6 1 1 A 8 8 LYS H H 8 8.270 8.711 -0.441 1
1 90 . 6 1 1 A 8 8 LYS HA H 8 4.480 4.764 -0.284 1
1 99 . 6 1 1 A 8 8 LYS C C 8 175.600 176.152 -0.552 1
1 100 . 6 1 1 A 8 8 LYS CA C 8 53.800 54.372 -0.572 1
1 101 . 6 1 1 A 8 8 LYS CB C 8 34.600 34.989 -0.389 1
1 105 . 6 1 1 A 8 8 LYS N N 8 118.500 119.752 -1.252 1
1 106 . 6 1 1 A 9 9 CYS H H 9 8.400 8.568 -0.168 1
1 107 . 6 1 1 A 9 9 CYS HA H 9 3.630 4.424 -0.794 1
1 110 . 6 1 1 A 9 9 CYS C C 9 175.700 175.318 0.382 1
1 111 . 6 1 1 A 9 9 CYS CA C 9 60.300 60.061 0.239 1
1 112 . 6 1 1 A 9 9 CYS CB C 9 26.700 27.399 -0.699 1
1 113 . 6 1 1 A 9 9 CYS N N 9 117.100 120.891 -3.791 1
1 114 . 6 1 1 A 10 10 GLY H H 10 8.950 9.016 -0.066 1
1 115 . 6 1 1 A 10 10 GLY HA2 H 10 3.790 3.912 -0.122 1
1 116 . 6 1 1 A 10 10 GLY HA3 H 10 4.350 3.941 0.409 1
1 117 . 6 1 1 A 10 10 GLY C C 10 174.600 173.770 0.830 1
1 118 . 6 1 1 A 10 10 GLY CA C 10 44.600 45.197 -0.597 1
1 119 . 6 1 1 A 10 10 GLY N N 10 114.200 112.887 1.313 1
1 120 . 6 1 1 A 11 11 GLN H H 11 7.750 7.269 0.481 1
1 121 . 6 1 1 A 11 11 GLN HA H 11 4.500 4.750 -0.250 1
1 128 . 6 1 1 A 11 11 GLN C C 11 174.200 175.176 -0.976 1
1 129 . 6 1 1 A 11 11 GLN CA C 11 56.000 54.152 1.848 1
1 130 . 6 1 1 A 11 11 GLN CB C 11 29.400 30.918 -1.518 1
1 132 . 6 1 1 A 11 11 GLN N N 11 118.900 119.549 -0.649 1
1 134 . 6 1 1 A 12 12 THR H H 12 8.380 8.582 -0.202 1
1 135 . 6 1 1 A 12 12 THR HA H 12 5.330 5.175 0.155 1
1 140 . 6 1 1 A 12 12 THR C C 12 174.100 174.360 -0.260 1
1 141 . 6 1 1 A 12 12 THR CA C 12 62.100 62.190 -0.090 1
1 142 . 6 1 1 A 12 12 THR CB C 12 69.600 70.563 -0.963 1
1 144 . 6 1 1 A 12 12 THR N N 12 116.600 117.273 -0.673 1
1 145 . 6 1 1 A 13 13 VAL H H 13 9.190 9.460 -0.270 1
1 146 . 6 1 1 A 13 13 VAL HA H 13 5.140 5.313 -0.173 1
1 154 . 6 1 1 A 13 13 VAL C C 13 173.200 174.768 -1.568 1
1 155 . 6 1 1 A 13 13 VAL CA C 13 57.300 59.221 -1.921 1
1 156 . 6 1 1 A 13 13 VAL CB C 13 35.100 36.307 -1.207 1
1 159 . 6 1 1 A 13 13 VAL N N 13 117.500 120.436 -2.936 1
1 160 . 6 1 1 A 14 14 LYS H H 14 9.000 8.575 0.425 1
1 161 . 6 1 1 A 14 14 LYS HA H 14 5.350 5.334 0.016 1
1 170 . 6 1 1 A 14 14 LYS C C 14 176.900 175.652 1.248 1
1 171 . 6 1 1 A 14 14 LYS CA C 14 53.800 54.687 -0.887 1
1 172 . 6 1 1 A 14 14 LYS CB C 14 35.500 36.053 -0.553 1
1 176 . 6 1 1 A 14 14 LYS N N 14 120.300 121.174 -0.874 1
1 177 . 6 1 1 A 15 15 VAL H H 15 8.620 9.170 -0.550 1
1 178 . 6 1 1 A 15 15 VAL HA H 15 3.880 4.064 -0.184 1
1 186 . 6 1 1 A 15 15 VAL C C 15 176.700 176.894 -0.194 1
1 187 . 6 1 1 A 15 15 VAL CA C 15 64.300 63.525 0.775 1
1 188 . 6 1 1 A 15 15 VAL CB C 15 31.500 31.173 0.327 1
1 191 . 6 1 1 A 15 15 VAL N N 15 123.100 124.241 -1.141 1
1 192 . 6 1 1 A 16 16 VAL H H 16 9.580 9.095 0.485 1
1 193 . 6 1 1 A 16 16 VAL HA H 16 4.100 4.402 -0.302 1
1 201 . 6 1 1 A 16 16 VAL C C 16 175.300 176.076 -0.776 1
1 202 . 6 1 1 A 16 16 VAL CA C 16 63.400 62.355 1.045 1
1 203 . 6 1 1 A 16 16 VAL CB C 16 33.700 33.333 0.367 1
1 206 . 6 1 1 A 16 16 VAL N N 16 130.100 122.595 7.505 1
1 207 . 6 1 1 A 17 17 LYS H H 17 7.490 7.560 -0.070 1
1 208 . 6 1 1 A 17 17 LYS HA H 17 4.380 4.743 -0.363 1
1 217 . 6 1 1 A 17 17 LYS C C 17 172.900 175.050 -2.150 1
1 218 . 6 1 1 A 17 17 LYS CA C 17 56.200 54.843 1.357 1
1 219 . 6 1 1 A 17 17 LYS CB C 17 35.500 37.243 -1.743 1
1 223 . 6 1 1 A 17 17 LYS N N 17 116.800 119.972 -3.172 1
1 224 . 6 1 1 A 18 18 LEU H H 18 8.520 8.831 -0.311 1
1 225 . 6 1 1 A 18 18 LEU HA H 18 4.890 4.917 -0.027 1
1 235 . 6 1 1 A 18 18 LEU C C 18 175.600 176.055 -0.455 1
1 236 . 6 1 1 A 18 18 LEU CA C 18 53.800 53.353 0.447 1
1 237 . 6 1 1 A 18 18 LEU CB C 18 42.500 44.276 -1.776 1
1 241 . 6 1 1 A 18 18 LEU N N 18 124.100 121.728 2.372 1
1 242 . 6 1 1 A 19 19 HIS H H 19 8.790 9.649 -0.859 1
1 243 . 6 1 1 A 19 19 HIS HA H 19 4.620 4.810 -0.190 1
1 248 . 6 1 1 A 19 19 HIS C C 19 173.000 175.044 -2.044 1
1 249 . 6 1 1 A 19 19 HIS CA C 19 55.500 55.100 0.400 1
1 250 . 6 1 1 A 19 19 HIS CB C 19 32.800 31.861 0.939 1
1 253 . 6 1 1 A 19 19 HIS N N 19 122.700 122.978 -0.278 1
1 254 . 6 1 1 A 20 20 GLY H H 20 8.100 8.543 -0.443 1
1 255 . 6 1 1 A 20 20 GLY HA2 H 20 3.920 4.122 -0.202 1
1 256 . 6 1 1 A 20 20 GLY HA3 H 20 4.510 4.127 0.383 1
1 257 . 6 1 1 A 20 20 GLY C C 20 174.500 173.912 0.588 1
1 258 . 6 1 1 A 20 20 GLY CA C 20 44.200 44.236 -0.036 1
1 259 . 6 1 1 A 20 20 GLY N N 20 103.400 109.611 -6.211 1
1 260 . 6 1 1 A 21 21 THR H H 21 7.750 8.578 -0.828 1
1 261 . 6 1 1 A 21 21 THR HA H 21 4.450 4.238 0.212 1
1 266 . 6 1 1 A 21 21 THR C C 21 175.400 175.568 -0.168 1
1 267 . 6 1 1 A 21 21 THR CA C 21 60.800 64.045 -3.245 1
1 268 . 6 1 1 A 21 21 THR CB C 21 70.900 68.708 2.192 1
1 270 . 6 1 1 A 21 21 THR N N 21 108.600 112.792 -4.192 1
1 271 . 6 1 1 A 22 22 GLY H H 22 8.780 7.467 1.313 1
1 272 . 6 1 1 A 22 22 GLY HA2 H 22 3.750 3.987 -0.237 1
1 273 . 6 1 1 A 22 22 GLY HA3 H 22 4.030 3.987 0.043 1
1 274 . 6 1 1 A 22 22 GLY C C 22 176.200 174.961 1.239 1
1 275 . 6 1 1 A 22 22 GLY CA C 22 47.300 45.945 1.355 1
1 276 . 6 1 1 A 22 22 GLY N N 22 108.600 108.952 -0.352 1
1 277 . 6 1 1 A 23 23 ALA H H 23 8.480 8.338 0.142 1
1 278 . 6 1 1 A 23 23 ALA HA H 23 4.080 3.986 0.094 1
1 282 . 6 1 1 A 23 23 ALA C C 23 180.100 179.326 0.774 1
1 283 . 6 1 1 A 23 23 ALA CA C 23 54.700 54.718 -0.018 1
1 284 . 6 1 1 A 23 23 ALA CB C 23 18.400 18.502 -0.102 1
1 285 . 6 1 1 A 23 23 ALA N N 23 123.300 124.731 -1.431 1
1 286 . 6 1 1 A 24 24 LEU H H 24 7.830 8.009 -0.179 1
1 287 . 6 1 1 A 24 24 LEU HA H 24 4.120 4.098 0.022 1
1 297 . 6 1 1 A 24 24 LEU C C 24 178.600 178.602 -0.002 1
1 298 . 6 1 1 A 24 24 LEU CA C 24 57.800 57.579 0.221 1
1 299 . 6 1 1 A 24 24 LEU CB C 24 41.100 41.673 -0.573 1
1 303 . 6 1 1 A 24 24 LEU N N 24 120.400 119.650 0.750 1
1 304 . 6 1 1 A 25 25 LYS H H 25 7.960 8.147 -0.187 1
1 305 . 6 1 1 A 25 25 LYS HA H 25 3.750 3.958 -0.208 1
1 314 . 6 1 1 A 25 25 LYS C C 25 178.300 179.237 -0.937 1
1 315 . 6 1 1 A 25 25 LYS CA C 25 60.400 60.318 0.082 1
1 316 . 6 1 1 A 25 25 LYS CB C 25 32.000 32.302 -0.302 1
1 320 . 6 1 1 A 25 25 LYS N N 25 118.000 119.518 -1.518 1
1 321 . 6 1 1 A 26 26 ARG H H 26 7.890 8.168 -0.278 1
1 322 . 6 1 1 A 26 26 ARG HA H 26 3.970 4.008 -0.038 1
1 329 . 6 1 1 A 26 26 ARG C C 26 177.700 178.435 -0.735 1
1 330 . 6 1 1 A 26 26 ARG CA C 26 58.700 59.177 -0.477 1
1 331 . 6 1 1 A 26 26 ARG CB C 26 30.000 29.999 0.001 1
1 334 . 6 1 1 A 26 26 ARG N N 26 117.100 120.026 -2.926 1
1 335 . 6 1 1 A 27 27 ARG H H 27 7.660 8.035 -0.375 1
1 336 . 6 1 1 A 27 27 ARG HA H 27 4.100 4.071 0.029 1
1 343 . 6 1 1 A 27 27 ARG C C 27 179.000 178.764 0.236 1
1 344 . 6 1 1 A 27 27 ARG CA C 27 59.100 58.699 0.401 1
1 345 . 6 1 1 A 27 27 ARG CB C 27 29.800 29.971 -0.171 1
1 348 . 6 1 1 A 27 27 ARG N N 27 118.600 119.554 -0.954 1
1 349 . 6 1 1 A 28 28 ILE H H 28 7.970 7.639 0.331 1
1 350 . 6 1 1 A 28 28 ILE HA H 28 3.740 3.696 0.044 1
1 360 . 6 1 1 A 28 28 ILE C C 28 178.700 178.385 0.315 1
1 361 . 6 1 1 A 28 28 ILE CA C 28 64.800 64.904 -0.104 1
1 362 . 6 1 1 A 28 28 ILE CB C 28 38.100 37.542 0.558 1
1 366 . 6 1 1 A 28 28 ILE N N 28 119.400 119.697 -0.297 1
1 367 . 6 1 1 A 29 29 MET H H 29 8.420 8.281 0.139 1
1 368 . 6 1 1 A 29 29 MET HA H 29 4.370 4.745 -0.375 1
1 376 . 6 1 1 A 29 29 MET C C 29 181.400 178.031 3.369 1
1 377 . 6 1 1 A 29 29 MET CA C 29 59.100 58.229 0.871 1
1 378 . 6 1 1 A 29 29 MET CB C 29 32.800 31.787 1.013 1
1 381 . 6 1 1 A 29 29 MET N N 29 119.900 118.583 1.317 1
1 382 . 6 1 1 A 30 30 ASP H H 30 8.650 8.773 -0.123 1
1 383 . 6 1 1 A 30 30 ASP HA H 30 4.440 4.379 0.061 1
1 386 . 6 1 1 A 30 30 ASP C C 30 178.200 177.868 0.332 1
1 387 . 6 1 1 A 30 30 ASP CA C 30 56.700 57.591 -0.891 1
1 388 . 6 1 1 A 30 30 ASP CB C 30 39.900 42.348 -2.448 1
1 389 . 6 1 1 A 30 30 ASP N N 30 121.800 120.519 1.281 1
1 390 . 6 1 1 A 31 31 MET H H 31 7.570 7.733 -0.163 1
1 391 . 6 1 1 A 31 31 MET HA H 31 4.290 4.425 -0.135 1
1 399 . 6 1 1 A 31 31 MET C C 31 175.700 176.552 -0.852 1
1 400 . 6 1 1 A 31 31 MET CA C 31 56.800 56.310 0.490 1
1 401 . 6 1 1 A 31 31 MET CB C 31 33.300 33.956 -0.656 1
1 404 . 6 1 1 A 31 31 MET N N 31 117.500 116.064 1.436 1
1 405 . 6 1 1 A 32 32 GLY H H 32 7.990 8.127 -0.137 1
1 406 . 6 1 1 A 32 32 GLY HA2 H 32 4.270 3.931 0.339 1
1 407 . 6 1 1 A 32 32 GLY HA3 H 32 3.630 3.934 -0.304 1
1 408 . 6 1 1 A 32 32 GLY C C 32 173.600 174.409 -0.809 1
1 409 . 6 1 1 A 32 32 GLY CA C 32 44.200 44.857 -0.657 1
1 410 . 6 1 1 A 32 32 GLY N N 32 104.400 106.336 -1.936 1
1 411 . 6 1 1 A 33 33 ILE H H 33 7.140 7.444 -0.304 1
1 412 . 6 1 1 A 33 33 ILE HA H 33 4.120 4.086 0.034 1
1 422 . 6 1 1 A 33 33 ILE C C 33 172.400 174.981 -2.581 1
1 423 . 6 1 1 A 33 33 ILE CA C 33 61.700 61.251 0.449 1
1 424 . 6 1 1 A 33 33 ILE CB C 33 37.200 37.390 -0.190 1
1 428 . 6 1 1 A 33 33 ILE N N 33 120.800 123.060 -2.260 1
1 429 . 6 1 1 A 34 34 THR H H 34 6.930 8.855 -1.925 1
1 430 . 6 1 1 A 34 34 THR HA H 34 4.590 4.826 -0.236 1
1 435 . 6 1 1 A 34 34 THR C C 34 174.400 173.084 1.316 1
1 436 . 6 1 1 A 34 34 THR CA C 34 58.300 59.660 -1.360 1
1 437 . 6 1 1 A 34 34 THR CB C 34 72.200 70.940 1.260 1
1 439 . 6 1 1 A 34 34 THR N N 34 113.300 120.432 -7.132 1
1 440 . 6 1 1 A 35 35 ARG H H 35 8.760 8.597 0.163 1
1 441 . 6 1 1 A 35 35 ARG HA H 35 3.520 4.166 -0.646 1
1 448 . 6 1 1 A 35 35 ARG C C 35 176.800 176.972 -0.172 1
1 449 . 6 1 1 A 35 35 ARG CA C 35 58.700 58.451 0.249 1
1 450 . 6 1 1 A 35 35 ARG CB C 35 29.700 29.850 -0.150 1
1 453 . 6 1 1 A 35 35 ARG N N 35 121.300 123.927 -2.627 1
1 454 . 6 1 1 A 36 36 GLY H H 36 8.950 9.420 -0.470 1
1 455 . 6 1 1 A 36 36 GLY HA2 H 36 4.460 3.978 0.482 1
1 456 . 6 1 1 A 36 36 GLY HA3 H 36 3.560 3.981 -0.421 1
1 457 . 6 1 1 A 36 36 GLY C C 36 173.900 174.451 -0.551 1
1 458 . 6 1 1 A 36 36 GLY CA C 36 44.700 45.075 -0.375 1
1 459 . 6 1 1 A 36 36 GLY N N 36 114.200 112.056 2.144 1
1 460 . 6 1 1 A 37 37 CYS H H 37 7.950 7.875 0.075 1
1 461 . 6 1 1 A 37 37 CYS HA H 37 4.550 4.575 -0.025 1
1 464 . 6 1 1 A 37 37 CYS C C 37 172.900 174.457 -1.557 1
1 465 . 6 1 1 A 37 37 CYS CA C 37 59.200 59.118 0.082 1
1 466 . 6 1 1 A 37 37 CYS CB C 37 28.000 28.555 -0.555 1
1 467 . 6 1 1 A 37 37 CYS N N 37 118.400 120.681 -2.281 1
1 468 . 6 1 1 A 38 38 GLU H H 38 8.540 8.583 -0.043 1
1 469 . 6 1 1 A 38 38 GLU HA H 38 5.160 5.004 0.156 1
1 474 . 6 1 1 A 38 38 GLU C C 38 176.000 175.526 0.474 1
1 475 . 6 1 1 A 38 38 GLU CA C 38 55.300 56.044 -0.744 1
1 476 . 6 1 1 A 38 38 GLU CB C 38 31.500 30.977 0.523 1
1 478 . 6 1 1 A 38 38 GLU N N 38 123.100 125.000 -1.900 1
1 479 . 6 1 1 A 39 39 ILE H H 39 9.360 9.756 -0.396 1
1 480 . 6 1 1 A 39 39 ILE HA H 39 4.600 4.700 -0.100 1
1 490 . 6 1 1 A 39 39 ILE C C 39 173.700 174.069 -0.369 1
1 491 . 6 1 1 A 39 39 ILE CA C 39 60.500 60.300 0.200 1
1 492 . 6 1 1 A 39 39 ILE CB C 39 41.300 39.968 1.332 1
1 496 . 6 1 1 A 39 39 ILE N N 39 124.000 124.717 -0.717 1
1 497 . 6 1 1 A 40 40 TYR H H 40 8.540 8.802 -0.262 1
1 498 . 6 1 1 A 40 40 TYR HA H 40 5.340 4.928 0.412 1
1 505 . 6 1 1 A 40 40 TYR C C 40 175.000 174.203 0.797 1
1 506 . 6 1 1 A 40 40 TYR CA C 40 55.900 56.445 -0.545 1
1 507 . 6 1 1 A 40 40 TYR CB C 40 40.900 39.618 1.282 1
1 510 . 6 1 1 A 40 40 TYR N N 40 127.000 128.670 -1.670 1
1 511 . 6 1 1 A 41 41 ILE H H 41 7.850 8.486 -0.636 1
1 512 . 6 1 1 A 41 41 ILE HA H 41 3.910 3.967 -0.057 1
1 522 . 6 1 1 A 41 41 ILE C C 41 173.600 175.768 -2.168 1
1 523 . 6 1 1 A 41 41 ILE CA C 41 61.500 61.483 0.017 1
1 524 . 6 1 1 A 41 41 ILE CB C 41 35.800 36.786 -0.986 1
1 528 . 6 1 1 A 41 41 ILE N N 41 127.800 128.871 -1.071 1
1 529 . 6 1 1 A 42 42 ARG H H 42 8.460 8.992 -0.532 1
1 530 . 6 1 1 A 42 42 ARG HA H 42 4.110 3.952 0.158 1
1 537 . 6 1 1 A 42 42 ARG C C 42 176.500 175.393 1.107 1
1 538 . 6 1 1 A 42 42 ARG CA C 42 57.700 57.309 0.391 1
1 539 . 6 1 1 A 42 42 ARG CB C 42 31.400 31.688 -0.288 1
1 542 . 6 1 1 A 42 42 ARG N N 42 128.100 129.940 -1.840 1
1 543 . 6 1 1 A 43 43 LYS H H 43 7.920 7.536 0.384 1
1 544 . 6 1 1 A 43 43 LYS HA H 43 4.530 4.683 -0.153 1
1 553 . 6 1 1 A 43 43 LYS C C 43 173.100 174.007 -0.907 1
1 554 . 6 1 1 A 43 43 LYS CA C 43 56.400 55.969 0.431 1
1 555 . 6 1 1 A 43 43 LYS CB C 43 36.100 35.956 0.144 1
1 559 . 6 1 1 A 43 43 LYS N N 43 116.400 118.285 -1.885 1
1 560 . 6 1 1 A 44 44 VAL H H 44 8.450 8.829 -0.379 1
1 561 . 6 1 1 A 44 44 VAL HA H 44 4.260 4.634 -0.374 1
1 569 . 6 1 1 A 44 44 VAL C C 44 175.000 175.376 -0.376 1
1 570 . 6 1 1 A 44 44 VAL CA C 44 61.500 60.638 0.862 1
1 571 . 6 1 1 A 44 44 VAL CB C 44 34.200 34.375 -0.175 1
1 574 . 6 1 1 A 44 44 VAL N N 44 123.900 126.660 -2.760 1
1 575 . 6 1 1 A 45 45 ALA H H 45 7.550 8.419 -0.869 1
1 576 . 6 1 1 A 45 45 ALA HA H 45 4.480 4.452 0.028 1
1 580 . 6 1 1 A 45 45 ALA CA C 45 51.500 50.358 1.142 1
1 581 . 6 1 1 A 45 45 ALA CB C 45 17.600 17.922 -0.322 1
1 582 . 6 1 1 A 45 45 ALA N N 45 129.600 129.313 0.287 1
1 583 . 6 1 1 A 46 46 PRO HA H 46 4.290 4.337 -0.047 1
1 590 . 6 1 1 A 46 46 PRO C C 46 177.800 177.819 -0.019 1
1 591 . 6 1 1 A 46 46 PRO CA C 46 65.500 65.076 0.424 1
1 592 . 6 1 1 A 46 46 PRO CB C 46 31.600 31.958 -0.358 1
1 595 . 6 1 1 A 47 47 LEU H H 47 8.330 8.008 0.322 1
1 596 . 6 1 1 A 47 47 LEU HA H 47 4.330 4.400 -0.070 1
1 606 . 6 1 1 A 47 47 LEU C C 47 178.000 176.951 1.049 1
1 607 . 6 1 1 A 47 47 LEU CA C 47 55.300 55.339 -0.039 1
1 608 . 6 1 1 A 47 47 LEU CB C 47 40.300 42.912 -2.612 1
1 612 . 6 1 1 A 47 47 LEU N N 47 115.100 117.151 -2.051 1
1 613 . 6 1 1 A 48 48 GLY H H 48 8.420 8.968 -0.548 1
1 614 . 6 1 1 A 48 48 GLY HA2 H 48 4.090 3.949 0.141 1
1 615 . 6 1 1 A 48 48 GLY HA3 H 48 3.490 3.952 -0.462 1
1 616 . 6 1 1 A 48 48 GLY C C 48 171.900 173.067 -1.167 1
1 617 . 6 1 1 A 48 48 GLY CA C 48 45.500 45.184 0.316 1
1 618 . 6 1 1 A 48 48 GLY N N 48 107.400 108.333 -0.933 1
1 619 . 6 1 1 A 49 49 ASP H H 49 6.850 7.852 -1.002 1
1 620 . 6 1 1 A 49 49 ASP HA H 49 5.050 5.062 -0.012 1
1 623 . 6 1 1 A 49 49 ASP CA C 49 50.200 50.774 -0.574 1
1 624 . 6 1 1 A 49 49 ASP CB C 49 45.300 43.936 1.364 1
1 625 . 6 1 1 A 49 49 ASP N N 49 116.000 121.743 -5.743 1
1 626 . 6 1 1 A 50 50 PRO HA H 50 5.450 4.664 0.786 1
1 633 . 6 1 1 A 50 50 PRO C C 50 174.900 175.393 -0.493 1
1 634 . 6 1 1 A 50 50 PRO CA C 50 63.900 62.249 1.651 1
1 635 . 6 1 1 A 50 50 PRO CB C 50 35.600 33.211 2.389 1
1 638 . 6 1 1 A 51 51 ILE H H 51 8.980 8.497 0.483 1
1 639 . 6 1 1 A 51 51 ILE HA H 51 4.400 4.744 -0.344 1
1 649 . 6 1 1 A 51 51 ILE C C 51 174.500 175.200 -0.700 1
1 650 . 6 1 1 A 51 51 ILE CA C 51 61.100 59.666 1.434 1
1 651 . 6 1 1 A 51 51 ILE CB C 51 40.900 40.350 0.550 1
1 655 . 6 1 1 A 51 51 ILE N N 51 118.100 120.433 -2.333 1
1 656 . 6 1 1 A 52 52 GLN H H 52 9.060 9.187 -0.127 1
1 657 . 6 1 1 A 52 52 GLN HA H 52 5.160 5.150 0.010 1
1 664 . 6 1 1 A 52 52 GLN C C 52 175.800 175.664 0.136 1
1 665 . 6 1 1 A 52 52 GLN CA C 52 54.900 55.506 -0.606 1
1 666 . 6 1 1 A 52 52 GLN CB C 52 29.600 29.499 0.101 1
1 668 . 6 1 1 A 52 52 GLN N N 52 126.100 127.123 -1.023 1
1 670 . 6 1 1 A 53 53 ILE H H 53 9.080 9.247 -0.167 1
1 671 . 6 1 1 A 53 53 ILE HA H 53 5.440 5.010 0.430 1
1 681 . 6 1 1 A 53 53 ILE C C 53 174.000 174.017 -0.017 1
1 682 . 6 1 1 A 53 53 ILE CA C 53 58.700 58.844 -0.144 1
1 683 . 6 1 1 A 53 53 ILE CB C 53 41.500 41.319 0.181 1
1 687 . 6 1 1 A 53 53 ILE N N 53 117.600 118.919 -1.319 1
1 688 . 6 1 1 A 54 54 ASN H H 54 9.360 9.421 -0.061 1
1 689 . 6 1 1 A 54 54 ASN HA H 54 5.840 5.490 0.350 1
1 694 . 6 1 1 A 54 54 ASN C C 54 174.800 174.521 0.279 1
1 695 . 6 1 1 A 54 54 ASN CA C 54 52.300 52.043 0.257 1
1 696 . 6 1 1 A 54 54 ASN CB C 54 42.200 40.189 2.011 1
1 697 . 6 1 1 A 54 54 ASN N N 54 120.100 123.162 -3.062 1
1 699 . 6 1 1 A 55 55 VAL H H 55 8.900 9.443 -0.543 1
1 700 . 6 1 1 A 55 55 VAL HA H 55 4.480 4.567 -0.087 1
1 708 . 6 1 1 A 55 55 VAL C C 55 174.400 176.029 -1.629 1
1 709 . 6 1 1 A 55 55 VAL CA C 55 60.800 61.303 -0.503 1
1 710 . 6 1 1 A 55 55 VAL CB C 55 34.300 34.058 0.242 1
1 713 . 6 1 1 A 55 55 VAL N N 55 124.400 126.599 -2.199 1
1 714 . 6 1 1 A 56 56 ARG H H 56 9.680 9.602 0.078 1
1 715 . 6 1 1 A 56 56 ARG HA H 56 3.880 4.026 -0.146 1
1 722 . 6 1 1 A 56 56 ARG C C 56 175.000 176.302 -1.302 1
1 723 . 6 1 1 A 56 56 ARG CA C 56 57.200 57.278 -0.078 1
1 724 . 6 1 1 A 56 56 ARG CB C 56 28.400 27.875 0.525 1
1 727 . 6 1 1 A 56 56 ARG N N 56 125.100 128.825 -3.725 1
1 728 . 6 1 1 A 57 57 GLY H H 57 8.130 8.394 -0.264 1
1 729 . 6 1 1 A 57 57 GLY HA2 H 57 4.130 3.866 0.264 1
1 730 . 6 1 1 A 57 57 GLY HA3 H 57 3.610 3.880 -0.270 1
1 731 . 6 1 1 A 57 57 GLY C C 57 174.300 173.856 0.444 1
1 732 . 6 1 1 A 57 57 GLY CA C 57 45.300 45.407 -0.107 1
1 733 . 6 1 1 A 57 57 GLY N N 57 103.500 106.043 -2.543 1
1 734 . 6 1 1 A 58 58 TYR H H 58 8.180 8.194 -0.014 1
1 735 . 6 1 1 A 58 58 TYR HA H 58 4.750 4.549 0.201 1
1 742 . 6 1 1 A 58 58 TYR C C 58 174.500 174.827 -0.327 1
1 743 . 6 1 1 A 58 58 TYR CA C 58 56.600 58.112 -1.512 1
1 744 . 6 1 1 A 58 58 TYR CB C 58 39.500 39.114 0.386 1
1 747 . 6 1 1 A 58 58 TYR N N 58 121.300 120.872 0.428 1
1 748 . 6 1 1 A 59 59 GLU H H 59 8.480 8.803 -0.323 1
1 749 . 6 1 1 A 59 59 GLU HA H 59 5.120 5.046 0.074 1
1 754 . 6 1 1 A 59 59 GLU C C 59 178.400 175.469 2.931 1
1 755 . 6 1 1 A 59 59 GLU CA C 59 55.200 55.649 -0.449 1
1 756 . 6 1 1 A 59 59 GLU CB C 59 30.400 31.261 -0.861 1
1 758 . 6 1 1 A 59 59 GLU N N 59 122.400 125.636 -3.236 1
1 759 . 6 1 1 A 60 60 LEU H H 60 8.900 9.851 -0.951 1
1 760 . 6 1 1 A 60 60 LEU HA H 60 4.830 5.208 -0.378 1
1 770 . 6 1 1 A 60 60 LEU C C 60 175.100 176.050 -0.950 1
1 771 . 6 1 1 A 60 60 LEU CA C 60 53.800 53.349 0.451 1
1 772 . 6 1 1 A 60 60 LEU CB C 60 46.200 45.089 1.111 1
1 776 . 6 1 1 A 60 60 LEU N N 60 124.600 129.506 -4.906 1
1 777 . 6 1 1 A 61 61 SER H H 61 8.390 9.049 -0.659 1
1 778 . 6 1 1 A 61 61 SER HA H 61 5.150 5.383 -0.233 1
1 781 . 6 1 1 A 61 61 SER C C 61 173.300 173.633 -0.333 1
1 782 . 6 1 1 A 61 61 SER CA C 61 56.600 58.116 -1.516 1
1 783 . 6 1 1 A 61 61 SER CB C 61 63.900 63.789 0.111 1
1 784 . 6 1 1 A 61 61 SER N N 61 116.100 120.614 -4.514 1
1 785 . 6 1 1 A 62 62 LEU H H 62 9.190 8.951 0.239 1
1 786 . 6 1 1 A 62 62 LEU HA H 62 4.700 4.941 -0.241 1
1 796 . 6 1 1 A 62 62 LEU C C 62 175.800 176.790 -0.990 1
1 797 . 6 1 1 A 62 62 LEU CA C 62 53.000 53.307 -0.307 1
1 798 . 6 1 1 A 62 62 LEU CB C 62 45.900 44.170 1.730 1
1 802 . 6 1 1 A 62 62 LEU N N 62 126.800 127.245 -0.445 1
1 803 . 6 1 1 A 63 63 ARG H H 63 8.670 8.412 0.258 1
1 804 . 6 1 1 A 63 63 ARG HA H 63 4.640 4.589 0.051 1
1 811 . 6 1 1 A 63 63 ARG C C 63 176.000 177.373 -1.373 1
1 812 . 6 1 1 A 63 63 ARG CA C 63 53.700 57.550 -3.850 1
1 813 . 6 1 1 A 63 63 ARG CB C 63 29.100 30.676 -1.576 1
1 816 . 6 1 1 A 63 63 ARG N N 63 120.600 119.656 0.944 1
1 817 . 6 1 1 A 64 64 LYS H H 64 8.900 9.285 -0.385 1
1 818 . 6 1 1 A 64 64 LYS HA H 64 3.800 3.859 -0.059 1
1 827 . 6 1 1 A 64 64 LYS C C 64 177.100 178.282 -1.182 1
1 828 . 6 1 1 A 64 64 LYS CA C 64 60.200 60.111 0.089 1
1 829 . 6 1 1 A 64 64 LYS CB C 64 32.300 31.924 0.376 1
1 833 . 6 1 1 A 64 64 LYS N N 64 124.600 124.545 0.055 1
1 834 . 6 1 1 A 65 65 SER H H 65 8.380 8.116 0.264 1
1 835 . 6 1 1 A 65 65 SER HA H 65 4.130 4.836 -0.706 1
1 838 . 6 1 1 A 65 65 SER C C 65 176.000 176.360 -0.360 1
1 839 . 6 1 1 A 65 65 SER CA C 65 60.300 61.734 -1.434 1
1 840 . 6 1 1 A 65 65 SER CB C 65 61.900 62.861 -0.961 1
1 841 . 6 1 1 A 65 65 SER N N 65 110.900 116.918 -6.018 1
1 842 . 6 1 1 A 66 66 ALA H H 66 6.910 7.823 -0.913 1
1 843 . 6 1 1 A 66 66 ALA HA H 66 4.290 4.174 0.116 1
1 847 . 6 1 1 A 66 66 ALA C C 66 178.800 179.979 -1.179 1
1 848 . 6 1 1 A 66 66 ALA CA C 66 54.000 55.001 -1.001 1
1 849 . 6 1 1 A 66 66 ALA CB C 66 18.800 18.389 0.411 1
1 850 . 6 1 1 A 66 66 ALA N N 66 122.600 123.711 -1.111 1
1 851 . 6 1 1 A 67 67 ALA H H 67 8.050 7.725 0.325 1
1 852 . 6 1 1 A 67 67 ALA HA H 67 3.850 4.005 -0.155 1
1 856 . 6 1 1 A 67 67 ALA C C 67 178.800 179.301 -0.501 1
1 857 . 6 1 1 A 67 67 ALA CA C 67 54.900 54.786 0.114 1
1 858 . 6 1 1 A 67 67 ALA CB C 67 18.700 18.406 0.294 1
1 859 . 6 1 1 A 67 67 ALA N N 67 118.800 120.880 -2.080 1
1 860 . 6 1 1 A 68 68 GLU H H 68 7.910 7.582 0.328 1
1 861 . 6 1 1 A 68 68 GLU HA H 68 4.150 4.035 0.115 1
1 866 . 6 1 1 A 68 68 GLU C C 68 175.900 178.434 -2.534 1
1 867 . 6 1 1 A 68 68 GLU CA C 68 57.200 59.114 -1.914 1
1 868 . 6 1 1 A 68 68 GLU CB C 68 29.800 29.319 0.481 1
1 870 . 6 1 1 A 68 68 GLU N N 68 113.100 118.510 -5.410 1
1 871 . 6 1 1 A 69 69 MET H H 69 7.360 7.731 -0.371 1
1 872 . 6 1 1 A 69 69 MET HA H 69 4.590 4.605 -0.015 1
1 880 . 6 1 1 A 69 69 MET C C 69 174.400 176.485 -2.085 1
1 881 . 6 1 1 A 69 69 MET CA C 69 53.800 56.952 -3.152 1
1 882 . 6 1 1 A 69 69 MET CB C 69 32.400 33.717 -1.317 1
1 885 . 6 1 1 A 69 69 MET N N 69 114.100 117.137 -3.037 1
1 886 . 6 1 1 A 70 70 ILE H H 70 7.310 7.576 -0.266 1
1 887 . 6 1 1 A 70 70 ILE HA H 70 4.260 4.217 0.043 1
1 897 . 6 1 1 A 70 70 ILE C C 70 174.100 175.011 -0.911 1
1 898 . 6 1 1 A 70 70 ILE CA C 70 60.900 61.077 -0.177 1
1 899 . 6 1 1 A 70 70 ILE CB C 70 38.700 37.622 1.078 1
1 903 . 6 1 1 A 70 70 ILE N N 70 120.300 119.796 0.504 1
1 904 . 6 1 1 A 71 71 GLU H H 71 8.910 8.907 0.003 1
1 905 . 6 1 1 A 71 71 GLU HA H 71 4.750 4.864 -0.114 1
1 910 . 6 1 1 A 71 71 GLU C C 71 177.100 176.482 0.618 1
1 911 . 6 1 1 A 71 71 GLU CA C 71 55.900 55.848 0.052 1
1 912 . 6 1 1 A 71 71 GLU CB C 71 30.600 30.858 -0.258 1
1 914 . 6 1 1 A 71 71 GLU N N 71 129.500 128.322 1.178 1
1 915 . 6 1 1 A 72 72 VAL H H 72 8.880 9.175 -0.295 1
1 916 . 6 1 1 A 72 72 VAL HA H 72 5.520 5.468 0.052 1
1 924 . 6 1 1 A 72 72 VAL C C 72 173.200 174.792 -1.592 1
1 925 . 6 1 1 A 72 72 VAL CA C 72 58.500 58.925 -0.425 1
1 926 . 6 1 1 A 72 72 VAL CB C 72 36.200 35.302 0.898 1
1 929 . 6 1 1 A 72 72 VAL N N 72 119.400 121.223 -1.823 1
1 930 . 6 1 1 A 73 73 GLU H H 73 8.720 9.077 -0.357 1
1 931 . 6 1 1 A 73 73 GLU HA H 73 4.750 4.946 -0.196 1
1 936 . 6 1 1 A 73 73 GLU C C 73 175.300 175.428 -0.128 1
1 937 . 6 1 1 A 73 73 GLU CA C 73 54.000 54.970 -0.970 1
1 938 . 6 1 1 A 73 73 GLU CB C 73 33.300 32.420 0.880 1
1 940 . 6 1 1 A 73 73 GLU N N 73 116.600 120.780 -4.180 1
1 941 . 6 1 1 A 74 74 LEU H H 74 8.780 8.249 0.531 1
1 942 . 6 1 1 A 74 74 LEU HA H 74 4.330 4.606 -0.276 1
1 952 . 6 1 1 A 74 74 LEU C C 74 176.400 176.587 -0.187 1
1 953 . 6 1 1 A 74 74 LEU CA C 74 55.400 54.709 0.691 1
1 954 . 6 1 1 A 74 74 LEU CB C 74 42.600 42.433 0.167 1
1 958 . 6 1 1 A 74 74 LEU N N 74 124.100 125.152 -1.052 1
1 959 . 6 1 1 A 75 75 GLU H H 75 8.450 8.104 0.346 1
1 960 . 6 1 1 A 75 75 GLU HA H 75 4.350 4.191 0.159 1
1 965 . 6 1 1 A 75 75 GLU C C 75 175.700 177.106 -1.406 1
1 966 . 6 1 1 A 75 75 GLU CA C 75 55.800 56.836 -1.036 1
1 967 . 6 1 1 A 75 75 GLU CB C 75 30.500 29.883 0.617 1
1 969 . 6 1 1 A 75 75 GLU N N 75 123.500 127.643 -4.143 1
1 970 . 6 1 1 A 76 76 HIS H H 76 8.500 8.388 0.112 1
1 971 . 6 1 1 A 76 76 HIS HA H 76 4.590 4.459 0.131 1
1 976 . 6 1 1 A 76 76 HIS C C 76 173.800 176.252 -2.452 1
1 977 . 6 1 1 A 76 76 HIS CA C 76 55.700 56.924 -1.224 1
1 978 . 6 1 1 A 76 76 HIS CB C 76 30.200 29.455 0.745 1
1 981 . 6 1 1 A 76 76 HIS N N 76 120.800 121.383 -0.583 1
1 982 . 6 1 1 A 77 77 HIS H H 77 8.100 8.826 -0.726 1
1 983 . 6 1 1 A 77 77 HIS HA H 77 4.610 4.756 -0.146 1
1 988 . 6 1 1 A 77 77 HIS C C 77 180.000 175.205 4.795 1
1 989 . 6 1 1 A 77 77 HIS CA C 77 56.400 56.454 -0.054 1
1 990 . 6 1 1 A 77 77 HIS CB C 77 29.900 29.904 -0.004 1
1 993 . 6 1 1 A 77 77 HIS N N 77 125.100 120.634 4.466 1
1 994 . 6 1 1 A 78 78 HIS H H 78 8.250 8.186 0.064 1
1 995 . 6 1 1 A 78 78 HIS HA H 78 4.620 4.591 0.029 1
1 1000 . 6 1 1 A 78 78 HIS C C 78 180.000 175.066 4.934 1
1 1001 . 6 1 1 A 78 78 HIS CA C 78 56.400 57.274 -0.874 1
1 1002 . 6 1 1 A 78 78 HIS CB C 78 29.900 28.638 1.262 1
1 1005 . 6 1 1 A 78 78 HIS N N 78 119.400 114.916 4.484 1
1 1006 . 6 1 1 A 79 79 HIS H H 79 8.250 8.899 -0.649 1
1 1007 . 6 1 1 A 79 79 HIS HA H 79 4.620 4.181 0.439 1
1 1012 . 6 1 1 A 79 79 HIS C C 79 180.000 175.281 4.719 1
1 1013 . 6 1 1 A 79 79 HIS CA C 79 56.400 56.645 -0.245 1
1 1014 . 6 1 1 A 79 79 HIS CB C 79 29.900 28.208 1.692 1
1 1017 . 6 1 1 A 79 79 HIS N N 79 119.400 121.271 -1.871 1
1 1018 . 6 1 1 A 80 80 HIS H H 80 8.250 8.017 0.233 1
1 1019 . 6 1 1 A 80 80 HIS HA H 80 4.620 4.274 0.346 1
1 1024 . 6 1 1 A 80 80 HIS C C 80 180.000 174.610 5.390 1
1 1025 . 6 1 1 A 80 80 HIS CA C 80 56.400 57.334 -0.934 1
1 1026 . 6 1 1 A 80 80 HIS CB C 80 29.900 30.910 -1.010 1
1 1029 . 6 1 1 A 80 80 HIS N N 80 119.400 119.349 0.051 1
1 16 . 7 1 1 A 2 2 PHE H H 2 9.360 9.086 0.274 1
1 17 . 7 1 1 A 2 2 PHE HA H 2 4.960 4.783 0.177 1
1 25 . 7 1 1 A 2 2 PHE C C 2 173.300 174.389 -1.089 1
1 26 . 7 1 1 A 2 2 PHE CA C 2 56.400 56.682 -0.282 1
1 27 . 7 1 1 A 2 2 PHE CB C 2 38.500 39.450 -0.950 1
1 31 . 7 1 1 A 2 2 PHE N N 2 127.300 128.740 -1.440 1
1 32 . 7 1 1 A 3 3 SER H H 3 9.150 8.479 0.671 1
1 33 . 7 1 1 A 3 3 SER HA H 3 5.590 4.863 0.727 1
1 36 . 7 1 1 A 3 3 SER C C 3 176.100 175.121 0.979 1
1 37 . 7 1 1 A 3 3 SER CA C 3 56.500 57.805 -1.305 1
1 38 . 7 1 1 A 3 3 SER CB C 3 68.100 63.760 4.340 1
1 39 . 7 1 1 A 3 3 SER N N 3 124.000 123.386 0.614 1
1 40 . 7 1 1 A 4 4 LEU H H 4 8.540 8.659 -0.119 1
1 41 . 7 1 1 A 4 4 LEU HA H 4 3.770 4.242 -0.472 1
1 51 . 7 1 1 A 4 4 LEU C C 4 177.200 177.862 -0.662 1
1 52 . 7 1 1 A 4 4 LEU CA C 4 57.300 58.045 -0.745 1
1 53 . 7 1 1 A 4 4 LEU CB C 4 41.600 41.730 -0.130 1
1 57 . 7 1 1 A 4 4 LEU N N 4 120.800 129.459 -8.659 1
1 58 . 7 1 1 A 5 5 ARG H H 5 7.150 7.713 -0.563 1
1 59 . 7 1 1 A 5 5 ARG HA H 5 3.830 4.067 -0.237 1
1 66 . 7 1 1 A 5 5 ARG C C 5 175.900 177.605 -1.705 1
1 67 . 7 1 1 A 5 5 ARG CA C 5 57.300 58.560 -1.260 1
1 68 . 7 1 1 A 5 5 ARG CB C 5 29.400 29.955 -0.555 1
1 71 . 7 1 1 A 5 5 ARG N N 5 115.100 119.060 -3.960 1
1 72 . 7 1 1 A 6 6 ASP H H 6 7.600 7.668 -0.068 1
1 73 . 7 1 1 A 6 6 ASP HA H 6 4.490 4.524 -0.034 1
1 76 . 7 1 1 A 6 6 ASP C C 6 175.700 176.060 -0.360 1
1 77 . 7 1 1 A 6 6 ASP CA C 6 54.700 54.857 -0.157 1
1 78 . 7 1 1 A 6 6 ASP CB C 6 42.000 41.367 0.633 1
1 79 . 7 1 1 A 6 6 ASP N N 6 117.000 118.193 -1.193 1
1 80 . 7 1 1 A 7 7 ALA H H 7 6.990 7.027 -0.037 1
1 81 . 7 1 1 A 7 7 ALA HA H 7 4.390 4.465 -0.075 1
1 85 . 7 1 1 A 7 7 ALA C C 7 175.300 177.393 -2.093 1
1 86 . 7 1 1 A 7 7 ALA CA C 7 51.600 52.859 -1.259 1
1 87 . 7 1 1 A 7 7 ALA CB C 7 19.500 19.301 0.199 1
1 88 . 7 1 1 A 7 7 ALA N N 7 122.200 121.381 0.819 1
1 89 . 7 1 1 A 8 8 LYS H H 8 8.270 8.564 -0.294 1
1 90 . 7 1 1 A 8 8 LYS HA H 8 4.480 4.664 -0.184 1
1 99 . 7 1 1 A 8 8 LYS C C 8 175.600 176.220 -0.620 1
1 100 . 7 1 1 A 8 8 LYS CA C 8 53.800 55.027 -1.227 1
1 101 . 7 1 1 A 8 8 LYS CB C 8 34.600 34.406 0.194 1
1 105 . 7 1 1 A 8 8 LYS N N 8 118.500 121.328 -2.828 1
1 106 . 7 1 1 A 9 9 CYS H H 9 8.400 8.661 -0.261 1
1 107 . 7 1 1 A 9 9 CYS HA H 9 3.630 4.234 -0.604 1
1 110 . 7 1 1 A 9 9 CYS C C 9 175.700 175.356 0.344 1
1 111 . 7 1 1 A 9 9 CYS CA C 9 60.300 60.535 -0.235 1
1 112 . 7 1 1 A 9 9 CYS CB C 9 26.700 27.102 -0.402 1
1 113 . 7 1 1 A 9 9 CYS N N 9 117.100 123.210 -6.110 1
1 114 . 7 1 1 A 10 10 GLY H H 10 8.950 9.272 -0.322 1
1 115 . 7 1 1 A 10 10 GLY HA2 H 10 3.790 4.045 -0.255 1
1 116 . 7 1 1 A 10 10 GLY HA3 H 10 4.350 4.084 0.266 1
1 117 . 7 1 1 A 10 10 GLY C C 10 174.600 174.170 0.430 1
1 118 . 7 1 1 A 10 10 GLY CA C 10 44.600 45.063 -0.463 1
1 119 . 7 1 1 A 10 10 GLY N N 10 114.200 113.299 0.901 1
1 120 . 7 1 1 A 11 11 GLN H H 11 7.750 7.600 0.150 1
1 121 . 7 1 1 A 11 11 GLN HA H 11 4.500 4.768 -0.268 1
1 128 . 7 1 1 A 11 11 GLN C C 11 174.200 175.177 -0.977 1
1 129 . 7 1 1 A 11 11 GLN CA C 11 56.000 54.088 1.912 1
1 130 . 7 1 1 A 11 11 GLN CB C 11 29.400 30.855 -1.455 1
1 132 . 7 1 1 A 11 11 GLN N N 11 118.900 119.399 -0.499 1
1 134 . 7 1 1 A 12 12 THR H H 12 8.380 8.405 -0.025 1
1 135 . 7 1 1 A 12 12 THR HA H 12 5.330 5.158 0.172 1
1 140 . 7 1 1 A 12 12 THR C C 12 174.100 174.434 -0.334 1
1 141 . 7 1 1 A 12 12 THR CA C 12 62.100 62.020 0.080 1
1 142 . 7 1 1 A 12 12 THR CB C 12 69.600 70.459 -0.859 1
1 144 . 7 1 1 A 12 12 THR N N 12 116.600 117.571 -0.971 1
1 145 . 7 1 1 A 13 13 VAL H H 13 9.190 9.612 -0.422 1
1 146 . 7 1 1 A 13 13 VAL HA H 13 5.140 5.148 -0.008 1
1 154 . 7 1 1 A 13 13 VAL C C 13 173.200 174.788 -1.588 1
1 155 . 7 1 1 A 13 13 VAL CA C 13 57.300 59.448 -2.148 1
1 156 . 7 1 1 A 13 13 VAL CB C 13 35.100 35.925 -0.825 1
1 159 . 7 1 1 A 13 13 VAL N N 13 117.500 120.704 -3.204 1
1 160 . 7 1 1 A 14 14 LYS H H 14 9.000 8.724 0.276 1
1 161 . 7 1 1 A 14 14 LYS HA H 14 5.350 5.181 0.169 1
1 170 . 7 1 1 A 14 14 LYS C C 14 176.900 175.794 1.106 1
1 171 . 7 1 1 A 14 14 LYS CA C 14 53.800 54.412 -0.612 1
1 172 . 7 1 1 A 14 14 LYS CB C 14 35.500 36.249 -0.749 1
1 176 . 7 1 1 A 14 14 LYS N N 14 120.300 120.464 -0.164 1
1 177 . 7 1 1 A 15 15 VAL H H 15 8.620 9.057 -0.437 1
1 178 . 7 1 1 A 15 15 VAL HA H 15 3.880 4.072 -0.192 1
1 186 . 7 1 1 A 15 15 VAL C C 15 176.700 176.900 -0.200 1
1 187 . 7 1 1 A 15 15 VAL CA C 15 64.300 63.590 0.710 1
1 188 . 7 1 1 A 15 15 VAL CB C 15 31.500 31.312 0.188 1
1 191 . 7 1 1 A 15 15 VAL N N 15 123.100 123.680 -0.580 1
1 192 . 7 1 1 A 16 16 VAL H H 16 9.580 8.981 0.599 1
1 193 . 7 1 1 A 16 16 VAL HA H 16 4.100 4.436 -0.336 1
1 201 . 7 1 1 A 16 16 VAL C C 16 175.300 175.686 -0.386 1
1 202 . 7 1 1 A 16 16 VAL CA C 16 63.400 62.236 1.164 1
1 203 . 7 1 1 A 16 16 VAL CB C 16 33.700 33.459 0.241 1
1 206 . 7 1 1 A 16 16 VAL N N 16 130.100 122.197 7.903 1
1 207 . 7 1 1 A 17 17 LYS H H 17 7.490 7.941 -0.451 1
1 208 . 7 1 1 A 17 17 LYS HA H 17 4.380 4.911 -0.531 1
1 217 . 7 1 1 A 17 17 LYS C C 17 172.900 174.059 -1.159 1
1 218 . 7 1 1 A 17 17 LYS CA C 17 56.200 55.563 0.637 1
1 219 . 7 1 1 A 17 17 LYS CB C 17 35.500 35.902 -0.402 1
1 223 . 7 1 1 A 17 17 LYS N N 17 116.800 121.262 -4.462 1
1 224 . 7 1 1 A 18 18 LEU H H 18 8.520 9.020 -0.500 1
1 225 . 7 1 1 A 18 18 LEU HA H 18 4.890 4.905 -0.015 1
1 235 . 7 1 1 A 18 18 LEU C C 18 175.600 175.903 -0.303 1
1 236 . 7 1 1 A 18 18 LEU CA C 18 53.800 53.801 -0.001 1
1 237 . 7 1 1 A 18 18 LEU CB C 18 42.500 42.768 -0.268 1
1 241 . 7 1 1 A 18 18 LEU N N 18 124.100 127.775 -3.675 1
1 242 . 7 1 1 A 19 19 HIS H H 19 8.790 8.679 0.111 1
1 243 . 7 1 1 A 19 19 HIS HA H 19 4.620 4.846 -0.226 1
1 248 . 7 1 1 A 19 19 HIS C C 19 173.000 174.947 -1.947 1
1 249 . 7 1 1 A 19 19 HIS CA C 19 55.500 54.944 0.556 1
1 250 . 7 1 1 A 19 19 HIS CB C 19 32.800 31.869 0.931 1
1 253 . 7 1 1 A 19 19 HIS N N 19 122.700 123.564 -0.864 1
1 254 . 7 1 1 A 20 20 GLY H H 20 8.100 8.544 -0.444 1
1 255 . 7 1 1 A 20 20 GLY HA2 H 20 3.920 4.105 -0.185 1
1 256 . 7 1 1 A 20 20 GLY HA3 H 20 4.510 4.111 0.399 1
1 257 . 7 1 1 A 20 20 GLY C C 20 174.500 173.983 0.517 1
1 258 . 7 1 1 A 20 20 GLY CA C 20 44.200 44.306 -0.106 1
1 259 . 7 1 1 A 20 20 GLY N N 20 103.400 109.454 -6.054 1
1 260 . 7 1 1 A 21 21 THR H H 21 7.750 8.477 -0.727 1
1 261 . 7 1 1 A 21 21 THR HA H 21 4.450 4.586 -0.136 1
1 266 . 7 1 1 A 21 21 THR C C 21 175.400 175.692 -0.292 1
1 267 . 7 1 1 A 21 21 THR CA C 21 60.800 62.634 -1.834 1
1 268 . 7 1 1 A 21 21 THR CB C 21 70.900 69.953 0.947 1
1 270 . 7 1 1 A 21 21 THR N N 21 108.600 113.608 -5.008 1
1 271 . 7 1 1 A 22 22 GLY H H 22 8.780 7.812 0.968 1
1 272 . 7 1 1 A 22 22 GLY HA2 H 22 3.750 4.003 -0.253 1
1 273 . 7 1 1 A 22 22 GLY HA3 H 22 4.030 4.004 0.026 1
1 274 . 7 1 1 A 22 22 GLY C C 22 176.200 175.651 0.549 1
1 275 . 7 1 1 A 22 22 GLY CA C 22 47.300 45.354 1.946 1
1 276 . 7 1 1 A 22 22 GLY N N 22 108.600 110.443 -1.843 1
1 277 . 7 1 1 A 23 23 ALA H H 23 8.480 8.181 0.299 1
1 278 . 7 1 1 A 23 23 ALA HA H 23 4.080 3.998 0.082 1
1 282 . 7 1 1 A 23 23 ALA C C 23 180.100 179.429 0.671 1
1 283 . 7 1 1 A 23 23 ALA CA C 23 54.700 54.736 -0.036 1
1 284 . 7 1 1 A 23 23 ALA CB C 23 18.400 18.727 -0.327 1
1 285 . 7 1 1 A 23 23 ALA N N 23 123.300 124.133 -0.833 1
1 286 . 7 1 1 A 24 24 LEU H H 24 7.830 8.202 -0.372 1
1 287 . 7 1 1 A 24 24 LEU HA H 24 4.120 4.113 0.007 1
1 297 . 7 1 1 A 24 24 LEU C C 24 178.600 178.789 -0.189 1
1 298 . 7 1 1 A 24 24 LEU CA C 24 57.800 57.633 0.167 1
1 299 . 7 1 1 A 24 24 LEU CB C 24 41.100 41.840 -0.740 1
1 303 . 7 1 1 A 24 24 LEU N N 24 120.400 120.800 -0.400 1
1 304 . 7 1 1 A 25 25 LYS H H 25 7.960 8.343 -0.383 1
1 305 . 7 1 1 A 25 25 LYS HA H 25 3.750 3.926 -0.176 1
1 314 . 7 1 1 A 25 25 LYS C C 25 178.300 179.079 -0.779 1
1 315 . 7 1 1 A 25 25 LYS CA C 25 60.400 60.355 0.045 1
1 316 . 7 1 1 A 25 25 LYS CB C 25 32.000 32.342 -0.342 1
1 320 . 7 1 1 A 25 25 LYS N N 25 118.000 119.229 -1.229 1
1 321 . 7 1 1 A 26 26 ARG H H 26 7.890 8.315 -0.425 1
1 322 . 7 1 1 A 26 26 ARG HA H 26 3.970 3.884 0.086 1
1 329 . 7 1 1 A 26 26 ARG C C 26 177.700 178.626 -0.926 1
1 330 . 7 1 1 A 26 26 ARG CA C 26 58.700 59.294 -0.594 1
1 331 . 7 1 1 A 26 26 ARG CB C 26 30.000 29.826 0.174 1
1 334 . 7 1 1 A 26 26 ARG N N 26 117.100 120.120 -3.020 1
1 335 . 7 1 1 A 27 27 ARG H H 27 7.660 7.781 -0.121 1
1 336 . 7 1 1 A 27 27 ARG HA H 27 4.100 4.171 -0.071 1
1 343 . 7 1 1 A 27 27 ARG C C 27 179.000 178.650 0.350 1
1 344 . 7 1 1 A 27 27 ARG CA C 27 59.100 58.322 0.778 1
1 345 . 7 1 1 A 27 27 ARG CB C 27 29.800 30.057 -0.257 1
1 348 . 7 1 1 A 27 27 ARG N N 27 118.600 119.465 -0.865 1
1 349 . 7 1 1 A 28 28 ILE H H 28 7.970 7.822 0.148 1
1 350 . 7 1 1 A 28 28 ILE HA H 28 3.740 3.745 -0.005 1
1 360 . 7 1 1 A 28 28 ILE C C 28 178.700 178.370 0.330 1
1 361 . 7 1 1 A 28 28 ILE CA C 28 64.800 64.833 -0.033 1
1 362 . 7 1 1 A 28 28 ILE CB C 28 38.100 37.240 0.860 1
1 366 . 7 1 1 A 28 28 ILE N N 28 119.400 119.579 -0.179 1
1 367 . 7 1 1 A 29 29 MET H H 29 8.420 8.537 -0.117 1
1 368 . 7 1 1 A 29 29 MET HA H 29 4.370 4.646 -0.276 1
1 376 . 7 1 1 A 29 29 MET C C 29 181.400 178.039 3.361 1
1 377 . 7 1 1 A 29 29 MET CA C 29 59.100 57.990 1.110 1
1 378 . 7 1 1 A 29 29 MET CB C 29 32.800 31.224 1.576 1
1 381 . 7 1 1 A 29 29 MET N N 29 119.900 118.748 1.152 1
1 382 . 7 1 1 A 30 30 ASP H H 30 8.650 8.305 0.345 1
1 383 . 7 1 1 A 30 30 ASP HA H 30 4.440 4.405 0.035 1
1 386 . 7 1 1 A 30 30 ASP C C 30 178.200 177.757 0.443 1
1 387 . 7 1 1 A 30 30 ASP CA C 30 56.700 57.205 -0.505 1
1 388 . 7 1 1 A 30 30 ASP CB C 30 39.900 41.643 -1.743 1
1 389 . 7 1 1 A 30 30 ASP N N 30 121.800 120.666 1.134 1
1 390 . 7 1 1 A 31 31 MET H H 31 7.570 7.665 -0.095 1
1 391 . 7 1 1 A 31 31 MET HA H 31 4.290 4.496 -0.206 1
1 399 . 7 1 1 A 31 31 MET C C 31 175.700 176.413 -0.713 1
1 400 . 7 1 1 A 31 31 MET CA C 31 56.800 56.009 0.791 1
1 401 . 7 1 1 A 31 31 MET CB C 31 33.300 33.422 -0.122 1
1 404 . 7 1 1 A 31 31 MET N N 31 117.500 116.083 1.417 1
1 405 . 7 1 1 A 32 32 GLY H H 32 7.990 8.123 -0.133 1
1 406 . 7 1 1 A 32 32 GLY HA2 H 32 4.270 3.966 0.304 1
1 407 . 7 1 1 A 32 32 GLY HA3 H 32 3.630 3.970 -0.340 1
1 408 . 7 1 1 A 32 32 GLY C C 32 173.600 174.570 -0.970 1
1 409 . 7 1 1 A 32 32 GLY CA C 32 44.200 44.883 -0.683 1
1 410 . 7 1 1 A 32 32 GLY N N 32 104.400 106.061 -1.661 1
1 411 . 7 1 1 A 33 33 ILE H H 33 7.140 7.319 -0.179 1
1 412 . 7 1 1 A 33 33 ILE HA H 33 4.120 4.062 0.058 1
1 422 . 7 1 1 A 33 33 ILE C C 33 172.400 174.650 -2.250 1
1 423 . 7 1 1 A 33 33 ILE CA C 33 61.700 60.826 0.874 1
1 424 . 7 1 1 A 33 33 ILE CB C 33 37.200 36.776 0.424 1
1 428 . 7 1 1 A 33 33 ILE N N 33 120.800 122.867 -2.067 1
1 429 . 7 1 1 A 34 34 THR H H 34 6.930 8.355 -1.425 1
1 430 . 7 1 1 A 34 34 THR HA H 34 4.590 5.119 -0.529 1
1 435 . 7 1 1 A 34 34 THR C C 34 174.400 173.466 0.934 1
1 436 . 7 1 1 A 34 34 THR CA C 34 58.300 59.228 -0.928 1
1 437 . 7 1 1 A 34 34 THR CB C 34 72.200 71.848 0.352 1
1 439 . 7 1 1 A 34 34 THR N N 34 113.300 117.935 -4.635 1
1 440 . 7 1 1 A 35 35 ARG H H 35 8.760 8.489 0.271 1
1 441 . 7 1 1 A 35 35 ARG HA H 35 3.520 4.372 -0.852 1
1 448 . 7 1 1 A 35 35 ARG C C 35 176.800 176.738 0.062 1
1 449 . 7 1 1 A 35 35 ARG CA C 35 58.700 56.813 1.887 1
1 450 . 7 1 1 A 35 35 ARG CB C 35 29.700 29.862 -0.162 1
1 453 . 7 1 1 A 35 35 ARG N N 35 121.300 121.634 -0.334 1
1 454 . 7 1 1 A 36 36 GLY H H 36 8.950 9.280 -0.330 1
1 455 . 7 1 1 A 36 36 GLY HA2 H 36 4.460 4.007 0.453 1
1 456 . 7 1 1 A 36 36 GLY HA3 H 36 3.560 4.007 -0.447 1
1 457 . 7 1 1 A 36 36 GLY C C 36 173.900 174.548 -0.648 1
1 458 . 7 1 1 A 36 36 GLY CA C 36 44.700 45.057 -0.357 1
1 459 . 7 1 1 A 36 36 GLY N N 36 114.200 111.315 2.885 1
1 460 . 7 1 1 A 37 37 CYS H H 37 7.950 7.939 0.011 1
1 461 . 7 1 1 A 37 37 CYS HA H 37 4.550 4.498 0.052 1
1 464 . 7 1 1 A 37 37 CYS C C 37 172.900 174.750 -1.850 1
1 465 . 7 1 1 A 37 37 CYS CA C 37 59.200 59.376 -0.176 1
1 466 . 7 1 1 A 37 37 CYS CB C 37 28.000 28.624 -0.624 1
1 467 . 7 1 1 A 37 37 CYS N N 37 118.400 119.888 -1.488 1
1 468 . 7 1 1 A 38 38 GLU H H 38 8.540 8.503 0.037 1
1 469 . 7 1 1 A 38 38 GLU HA H 38 5.160 4.891 0.269 1
1 474 . 7 1 1 A 38 38 GLU C C 38 176.000 175.885 0.115 1
1 475 . 7 1 1 A 38 38 GLU CA C 38 55.300 55.843 -0.543 1
1 476 . 7 1 1 A 38 38 GLU CB C 38 31.500 30.552 0.948 1
1 478 . 7 1 1 A 38 38 GLU N N 38 123.100 121.860 1.240 1
1 479 . 7 1 1 A 39 39 ILE H H 39 9.360 9.775 -0.415 1
1 480 . 7 1 1 A 39 39 ILE HA H 39 4.600 4.632 -0.032 1
1 490 . 7 1 1 A 39 39 ILE C C 39 173.700 174.274 -0.574 1
1 491 . 7 1 1 A 39 39 ILE CA C 39 60.500 60.405 0.095 1
1 492 . 7 1 1 A 39 39 ILE CB C 39 41.300 39.734 1.566 1
1 496 . 7 1 1 A 39 39 ILE N N 39 124.000 125.333 -1.333 1
1 497 . 7 1 1 A 40 40 TYR H H 40 8.540 8.717 -0.177 1
1 498 . 7 1 1 A 40 40 TYR HA H 40 5.340 4.720 0.620 1
1 505 . 7 1 1 A 40 40 TYR C C 40 175.000 174.554 0.446 1
1 506 . 7 1 1 A 40 40 TYR CA C 40 55.900 56.682 -0.782 1
1 507 . 7 1 1 A 40 40 TYR CB C 40 40.900 38.880 2.020 1
1 510 . 7 1 1 A 40 40 TYR N N 40 127.000 128.918 -1.918 1
1 511 . 7 1 1 A 41 41 ILE H H 41 7.850 8.732 -0.882 1
1 512 . 7 1 1 A 41 41 ILE HA H 41 3.910 3.905 0.005 1
1 522 . 7 1 1 A 41 41 ILE C C 41 173.600 175.713 -2.113 1
1 523 . 7 1 1 A 41 41 ILE CA C 41 61.500 61.638 -0.138 1
1 524 . 7 1 1 A 41 41 ILE CB C 41 35.800 36.568 -0.768 1
1 528 . 7 1 1 A 41 41 ILE N N 41 127.800 129.207 -1.407 1
1 529 . 7 1 1 A 42 42 ARG H H 42 8.460 8.502 -0.042 1
1 530 . 7 1 1 A 42 42 ARG HA H 42 4.110 3.739 0.371 1
1 537 . 7 1 1 A 42 42 ARG C C 42 176.500 175.568 0.932 1
1 538 . 7 1 1 A 42 42 ARG CA C 42 57.700 57.536 0.164 1
1 539 . 7 1 1 A 42 42 ARG CB C 42 31.400 31.336 0.064 1
1 542 . 7 1 1 A 42 42 ARG N N 42 128.100 129.699 -1.599 1
1 543 . 7 1 1 A 43 43 LYS H H 43 7.920 7.716 0.204 1
1 544 . 7 1 1 A 43 43 LYS HA H 43 4.530 4.624 -0.094 1
1 553 . 7 1 1 A 43 43 LYS C C 43 173.100 173.815 -0.715 1
1 554 . 7 1 1 A 43 43 LYS CA C 43 56.400 55.867 0.533 1
1 555 . 7 1 1 A 43 43 LYS CB C 43 36.100 35.607 0.493 1
1 559 . 7 1 1 A 43 43 LYS N N 43 116.400 118.448 -2.048 1
1 560 . 7 1 1 A 44 44 VAL H H 44 8.450 8.946 -0.496 1
1 561 . 7 1 1 A 44 44 VAL HA H 44 4.260 4.673 -0.413 1
1 569 . 7 1 1 A 44 44 VAL C C 44 175.000 175.661 -0.661 1
1 570 . 7 1 1 A 44 44 VAL CA C 44 61.500 61.200 0.300 1
1 571 . 7 1 1 A 44 44 VAL CB C 44 34.200 32.715 1.485 1
1 574 . 7 1 1 A 44 44 VAL N N 44 123.900 127.127 -3.227 1
1 575 . 7 1 1 A 45 45 ALA H H 45 7.550 8.208 -0.658 1
1 576 . 7 1 1 A 45 45 ALA HA H 45 4.480 4.399 0.081 1
1 580 . 7 1 1 A 45 45 ALA CA C 45 51.500 50.627 0.873 1
1 581 . 7 1 1 A 45 45 ALA CB C 45 17.600 17.811 -0.211 1
1 582 . 7 1 1 A 45 45 ALA N N 45 129.600 131.049 -1.449 1
1 583 . 7 1 1 A 46 46 PRO HA H 46 4.290 4.507 -0.217 1
1 590 . 7 1 1 A 46 46 PRO C C 46 177.800 177.754 0.046 1
1 591 . 7 1 1 A 46 46 PRO CA C 46 65.500 64.215 1.285 1
1 592 . 7 1 1 A 46 46 PRO CB C 46 31.600 31.737 -0.137 1
1 595 . 7 1 1 A 47 47 LEU H H 47 8.330 7.746 0.584 1
1 596 . 7 1 1 A 47 47 LEU HA H 47 4.330 4.282 0.048 1
1 606 . 7 1 1 A 47 47 LEU C C 47 178.000 177.120 0.880 1
1 607 . 7 1 1 A 47 47 LEU CA C 47 55.300 55.314 -0.014 1
1 608 . 7 1 1 A 47 47 LEU CB C 47 40.300 42.841 -2.541 1
1 612 . 7 1 1 A 47 47 LEU N N 47 115.100 116.411 -1.311 1
1 613 . 7 1 1 A 48 48 GLY H H 48 8.420 9.169 -0.749 1
1 614 . 7 1 1 A 48 48 GLY HA2 H 48 4.090 3.937 0.153 1
1 615 . 7 1 1 A 48 48 GLY HA3 H 48 3.490 3.940 -0.450 1
1 616 . 7 1 1 A 48 48 GLY C C 48 171.900 173.072 -1.172 1
1 617 . 7 1 1 A 48 48 GLY CA C 48 45.500 45.348 0.152 1
1 618 . 7 1 1 A 48 48 GLY N N 48 107.400 105.886 1.514 1
1 619 . 7 1 1 A 49 49 ASP H H 49 6.850 7.824 -0.974 1
1 620 . 7 1 1 A 49 49 ASP HA H 49 5.050 5.051 -0.001 1
1 623 . 7 1 1 A 49 49 ASP CA C 49 50.200 50.739 -0.539 1
1 624 . 7 1 1 A 49 49 ASP CB C 49 45.300 44.309 0.991 1
1 625 . 7 1 1 A 49 49 ASP N N 49 116.000 120.385 -4.385 1
1 626 . 7 1 1 A 50 50 PRO HA H 50 5.450 4.681 0.769 1
1 633 . 7 1 1 A 50 50 PRO C C 50 174.900 175.408 -0.508 1
1 634 . 7 1 1 A 50 50 PRO CA C 50 63.900 62.161 1.739 1
1 635 . 7 1 1 A 50 50 PRO CB C 50 35.600 33.200 2.400 1
1 638 . 7 1 1 A 51 51 ILE H H 51 8.980 8.831 0.149 1
1 639 . 7 1 1 A 51 51 ILE HA H 51 4.400 4.473 -0.073 1
1 649 . 7 1 1 A 51 51 ILE C C 51 174.500 174.408 0.092 1
1 650 . 7 1 1 A 51 51 ILE CA C 51 61.100 60.296 0.804 1
1 651 . 7 1 1 A 51 51 ILE CB C 51 40.900 39.194 1.706 1
1 655 . 7 1 1 A 51 51 ILE N N 51 118.100 120.538 -2.438 1
1 656 . 7 1 1 A 52 52 GLN H H 52 9.060 9.381 -0.321 1
1 657 . 7 1 1 A 52 52 GLN HA H 52 5.160 4.791 0.369 1
1 664 . 7 1 1 A 52 52 GLN C C 52 175.800 175.727 0.073 1
1 665 . 7 1 1 A 52 52 GLN CA C 52 54.900 55.139 -0.239 1
1 666 . 7 1 1 A 52 52 GLN CB C 52 29.600 29.966 -0.366 1
1 668 . 7 1 1 A 52 52 GLN N N 52 126.100 127.905 -1.805 1
1 670 . 7 1 1 A 53 53 ILE H H 53 9.080 9.077 0.003 1
1 671 . 7 1 1 A 53 53 ILE HA H 53 5.440 5.077 0.363 1
1 681 . 7 1 1 A 53 53 ILE C C 53 174.000 173.652 0.348 1
1 682 . 7 1 1 A 53 53 ILE CA C 53 58.700 58.882 -0.182 1
1 683 . 7 1 1 A 53 53 ILE CB C 53 41.500 41.600 -0.100 1
1 687 . 7 1 1 A 53 53 ILE N N 53 117.600 121.086 -3.486 1
1 688 . 7 1 1 A 54 54 ASN H H 54 9.360 9.227 0.133 1
1 689 . 7 1 1 A 54 54 ASN HA H 54 5.840 5.430 0.410 1
1 694 . 7 1 1 A 54 54 ASN C C 54 174.800 174.170 0.630 1
1 695 . 7 1 1 A 54 54 ASN CA C 54 52.300 51.928 0.372 1
1 696 . 7 1 1 A 54 54 ASN CB C 54 42.200 40.465 1.735 1
1 697 . 7 1 1 A 54 54 ASN N N 54 120.100 121.555 -1.455 1
1 699 . 7 1 1 A 55 55 VAL H H 55 8.900 9.165 -0.265 1
1 700 . 7 1 1 A 55 55 VAL HA H 55 4.480 4.595 -0.115 1
1 708 . 7 1 1 A 55 55 VAL C C 55 174.400 175.782 -1.382 1
1 709 . 7 1 1 A 55 55 VAL CA C 55 60.800 61.134 -0.334 1
1 710 . 7 1 1 A 55 55 VAL CB C 55 34.300 34.236 0.064 1
1 713 . 7 1 1 A 55 55 VAL N N 55 124.400 126.536 -2.136 1
1 714 . 7 1 1 A 56 56 ARG H H 56 9.680 9.570 0.110 1
1 715 . 7 1 1 A 56 56 ARG HA H 56 3.880 4.016 -0.136 1
1 722 . 7 1 1 A 56 56 ARG C C 56 175.000 176.278 -1.278 1
1 723 . 7 1 1 A 56 56 ARG CA C 56 57.200 57.317 -0.117 1
1 724 . 7 1 1 A 56 56 ARG CB C 56 28.400 28.204 0.196 1
1 727 . 7 1 1 A 56 56 ARG N N 56 125.100 127.970 -2.870 1
1 728 . 7 1 1 A 57 57 GLY H H 57 8.130 8.454 -0.324 1
1 729 . 7 1 1 A 57 57 GLY HA2 H 57 4.130 3.880 0.250 1
1 730 . 7 1 1 A 57 57 GLY HA3 H 57 3.610 3.896 -0.286 1
1 731 . 7 1 1 A 57 57 GLY C C 57 174.300 173.260 1.040 1
1 732 . 7 1 1 A 57 57 GLY CA C 57 45.300 45.428 -0.128 1
1 733 . 7 1 1 A 57 57 GLY N N 57 103.500 105.911 -2.411 1
1 734 . 7 1 1 A 58 58 TYR H H 58 8.180 8.083 0.097 1
1 735 . 7 1 1 A 58 58 TYR HA H 58 4.750 4.811 -0.061 1
1 742 . 7 1 1 A 58 58 TYR C C 58 174.500 174.718 -0.218 1
1 743 . 7 1 1 A 58 58 TYR CA C 58 56.600 56.811 -0.211 1
1 744 . 7 1 1 A 58 58 TYR CB C 58 39.500 40.527 -1.027 1
1 747 . 7 1 1 A 58 58 TYR N N 58 121.300 121.947 -0.647 1
1 748 . 7 1 1 A 59 59 GLU H H 59 8.480 8.086 0.394 1
1 749 . 7 1 1 A 59 59 GLU HA H 59 5.120 4.953 0.167 1
1 754 . 7 1 1 A 59 59 GLU C C 59 178.400 176.221 2.179 1
1 755 . 7 1 1 A 59 59 GLU CA C 59 55.200 55.985 -0.785 1
1 756 . 7 1 1 A 59 59 GLU CB C 59 30.400 30.065 0.335 1
1 758 . 7 1 1 A 59 59 GLU N N 59 122.400 124.452 -2.052 1
1 759 . 7 1 1 A 60 60 LEU H H 60 8.900 9.759 -0.859 1
1 760 . 7 1 1 A 60 60 LEU HA H 60 4.830 5.157 -0.327 1
1 770 . 7 1 1 A 60 60 LEU C C 60 175.100 175.916 -0.816 1
1 771 . 7 1 1 A 60 60 LEU CA C 60 53.800 53.409 0.391 1
1 772 . 7 1 1 A 60 60 LEU CB C 60 46.200 44.926 1.274 1
1 776 . 7 1 1 A 60 60 LEU N N 60 124.600 127.368 -2.768 1
1 777 . 7 1 1 A 61 61 SER H H 61 8.390 9.000 -0.610 1
1 778 . 7 1 1 A 61 61 SER HA H 61 5.150 5.216 -0.066 1
1 781 . 7 1 1 A 61 61 SER C C 61 173.300 173.097 0.203 1
1 782 . 7 1 1 A 61 61 SER CA C 61 56.600 58.018 -1.418 1
1 783 . 7 1 1 A 61 61 SER CB C 61 63.900 63.674 0.226 1
1 784 . 7 1 1 A 61 61 SER N N 61 116.100 121.414 -5.314 1
1 785 . 7 1 1 A 62 62 LEU H H 62 9.190 9.043 0.147 1
1 786 . 7 1 1 A 62 62 LEU HA H 62 4.700 5.192 -0.492 1
1 796 . 7 1 1 A 62 62 LEU C C 62 175.800 176.129 -0.329 1
1 797 . 7 1 1 A 62 62 LEU CA C 62 53.000 53.484 -0.484 1
1 798 . 7 1 1 A 62 62 LEU CB C 62 45.900 44.857 1.043 1
1 802 . 7 1 1 A 62 62 LEU N N 62 126.800 129.557 -2.757 1
1 803 . 7 1 1 A 63 63 ARG H H 63 8.670 8.997 -0.327 1
1 804 . 7 1 1 A 63 63 ARG HA H 63 4.640 4.578 0.062 1
1 811 . 7 1 1 A 63 63 ARG C C 63 176.000 177.531 -1.531 1
1 812 . 7 1 1 A 63 63 ARG CA C 63 53.700 55.888 -2.188 1
1 813 . 7 1 1 A 63 63 ARG CB C 63 29.100 31.265 -2.165 1
1 816 . 7 1 1 A 63 63 ARG N N 63 120.600 125.355 -4.755 1
1 817 . 7 1 1 A 64 64 LYS H H 64 8.900 9.768 -0.868 1
1 818 . 7 1 1 A 64 64 LYS HA H 64 3.800 3.798 0.002 1
1 827 . 7 1 1 A 64 64 LYS C C 64 177.100 178.133 -1.033 1
1 828 . 7 1 1 A 64 64 LYS CA C 64 60.200 60.375 -0.175 1
1 829 . 7 1 1 A 64 64 LYS CB C 64 32.300 32.365 -0.065 1
1 833 . 7 1 1 A 64 64 LYS N N 64 124.600 124.611 -0.011 1
1 834 . 7 1 1 A 65 65 SER H H 65 8.380 8.456 -0.076 1
1 835 . 7 1 1 A 65 65 SER HA H 65 4.130 4.195 -0.065 1
1 838 . 7 1 1 A 65 65 SER C C 65 176.000 177.027 -1.027 1
1 839 . 7 1 1 A 65 65 SER CA C 65 60.300 61.397 -1.097 1
1 840 . 7 1 1 A 65 65 SER CB C 65 61.900 62.082 -0.182 1
1 841 . 7 1 1 A 65 65 SER N N 65 110.900 115.251 -4.351 1
1 842 . 7 1 1 A 66 66 ALA H H 66 6.910 7.934 -1.024 1
1 843 . 7 1 1 A 66 66 ALA HA H 66 4.290 4.114 0.176 1
1 847 . 7 1 1 A 66 66 ALA C C 66 178.800 179.504 -0.704 1
1 848 . 7 1 1 A 66 66 ALA CA C 66 54.000 54.971 -0.971 1
1 849 . 7 1 1 A 66 66 ALA CB C 66 18.800 18.436 0.364 1
1 850 . 7 1 1 A 66 66 ALA N N 66 122.600 123.775 -1.175 1
1 851 . 7 1 1 A 67 67 ALA H H 67 8.050 8.357 -0.307 1
1 852 . 7 1 1 A 67 67 ALA HA H 67 3.850 4.084 -0.234 1
1 856 . 7 1 1 A 67 67 ALA C C 67 178.800 180.071 -1.271 1
1 857 . 7 1 1 A 67 67 ALA CA C 67 54.900 55.109 -0.209 1
1 858 . 7 1 1 A 67 67 ALA CB C 67 18.700 17.850 0.850 1
1 859 . 7 1 1 A 67 67 ALA N N 67 118.800 120.128 -1.328 1
1 860 . 7 1 1 A 68 68 GLU H H 68 7.910 8.215 -0.305 1
1 861 . 7 1 1 A 68 68 GLU HA H 68 4.150 4.566 -0.416 1
1 866 . 7 1 1 A 68 68 GLU C C 68 175.900 178.001 -2.101 1
1 867 . 7 1 1 A 68 68 GLU CA C 68 57.200 58.795 -1.595 1
1 868 . 7 1 1 A 68 68 GLU CB C 68 29.800 29.308 0.492 1
1 870 . 7 1 1 A 68 68 GLU N N 68 113.100 119.359 -6.259 1
1 871 . 7 1 1 A 69 69 MET H H 69 7.360 7.454 -0.094 1
1 872 . 7 1 1 A 69 69 MET HA H 69 4.590 4.425 0.165 1
1 880 . 7 1 1 A 69 69 MET C C 69 174.400 176.031 -1.631 1
1 881 . 7 1 1 A 69 69 MET CA C 69 53.800 56.672 -2.872 1
1 882 . 7 1 1 A 69 69 MET CB C 69 32.400 33.056 -0.656 1
1 885 . 7 1 1 A 69 69 MET N N 69 114.100 118.388 -4.288 1
1 886 . 7 1 1 A 70 70 ILE H H 70 7.310 7.334 -0.024 1
1 887 . 7 1 1 A 70 70 ILE HA H 70 4.260 4.225 0.035 1
1 897 . 7 1 1 A 70 70 ILE C C 70 174.100 175.131 -1.031 1
1 898 . 7 1 1 A 70 70 ILE CA C 70 60.900 61.050 -0.150 1
1 899 . 7 1 1 A 70 70 ILE CB C 70 38.700 38.709 -0.009 1
1 903 . 7 1 1 A 70 70 ILE N N 70 120.300 121.690 -1.390 1
1 904 . 7 1 1 A 71 71 GLU H H 71 8.910 9.041 -0.131 1
1 905 . 7 1 1 A 71 71 GLU HA H 71 4.750 4.966 -0.216 1
1 910 . 7 1 1 A 71 71 GLU C C 71 177.100 176.450 0.650 1
1 911 . 7 1 1 A 71 71 GLU CA C 71 55.900 55.690 0.210 1
1 912 . 7 1 1 A 71 71 GLU CB C 71 30.600 31.030 -0.430 1
1 914 . 7 1 1 A 71 71 GLU N N 71 129.500 127.971 1.529 1
1 915 . 7 1 1 A 72 72 VAL H H 72 8.880 9.669 -0.789 1
1 916 . 7 1 1 A 72 72 VAL HA H 72 5.520 5.385 0.135 1
1 924 . 7 1 1 A 72 72 VAL C C 72 173.200 173.583 -0.383 1
1 925 . 7 1 1 A 72 72 VAL CA C 72 58.500 58.936 -0.436 1
1 926 . 7 1 1 A 72 72 VAL CB C 72 36.200 35.977 0.223 1
1 929 . 7 1 1 A 72 72 VAL N N 72 119.400 120.773 -1.373 1
1 930 . 7 1 1 A 73 73 GLU H H 73 8.720 9.199 -0.479 1
1 931 . 7 1 1 A 73 73 GLU HA H 73 4.750 5.005 -0.255 1
1 936 . 7 1 1 A 73 73 GLU C C 73 175.300 175.102 0.198 1
1 937 . 7 1 1 A 73 73 GLU CA C 73 54.000 54.451 -0.451 1
1 938 . 7 1 1 A 73 73 GLU CB C 73 33.300 32.967 0.333 1
1 940 . 7 1 1 A 73 73 GLU N N 73 116.600 121.187 -4.587 1
1 941 . 7 1 1 A 74 74 LEU H H 74 8.780 8.088 0.692 1
1 942 . 7 1 1 A 74 74 LEU HA H 74 4.330 4.311 0.019 1
1 952 . 7 1 1 A 74 74 LEU C C 74 176.400 175.638 0.762 1
1 953 . 7 1 1 A 74 74 LEU CA C 74 55.400 54.535 0.865 1
1 954 . 7 1 1 A 74 74 LEU CB C 74 42.600 42.204 0.396 1
1 958 . 7 1 1 A 74 74 LEU N N 74 124.100 128.281 -4.181 1
1 959 . 7 1 1 A 75 75 GLU H H 75 8.450 8.323 0.127 1
1 960 . 7 1 1 A 75 75 GLU HA H 75 4.350 4.309 0.041 1
1 965 . 7 1 1 A 75 75 GLU C C 75 175.700 175.488 0.212 1
1 966 . 7 1 1 A 75 75 GLU CA C 75 55.800 56.547 -0.747 1
1 967 . 7 1 1 A 75 75 GLU CB C 75 30.500 29.884 0.616 1
1 969 . 7 1 1 A 75 75 GLU N N 75 123.500 127.421 -3.921 1
1 970 . 7 1 1 A 76 76 HIS H H 76 8.500 8.394 0.106 1
1 971 . 7 1 1 A 76 76 HIS HA H 76 4.590 4.766 -0.176 1
1 976 . 7 1 1 A 76 76 HIS C C 76 173.800 175.601 -1.801 1
1 977 . 7 1 1 A 76 76 HIS CA C 76 55.700 55.631 0.069 1
1 978 . 7 1 1 A 76 76 HIS CB C 76 30.200 28.593 1.607 1
1 981 . 7 1 1 A 76 76 HIS N N 76 120.800 125.405 -4.605 1
1 982 . 7 1 1 A 77 77 HIS H H 77 8.100 7.896 0.204 1
1 983 . 7 1 1 A 77 77 HIS HA H 77 4.610 4.632 -0.022 1
1 988 . 7 1 1 A 77 77 HIS C C 77 180.000 174.195 5.805 1
1 989 . 7 1 1 A 77 77 HIS CA C 77 56.400 55.683 0.717 1
1 990 . 7 1 1 A 77 77 HIS CB C 77 29.900 29.740 0.160 1
1 993 . 7 1 1 A 77 77 HIS N N 77 125.100 119.893 5.207 1
1 994 . 7 1 1 A 78 78 HIS H H 78 8.250 7.383 0.867 1
1 995 . 7 1 1 A 78 78 HIS HA H 78 4.620 5.209 -0.589 1
1 1000 . 7 1 1 A 78 78 HIS C C 78 180.000 172.673 7.327 1
1 1001 . 7 1 1 A 78 78 HIS CA C 78 56.400 54.109 2.291 1
1 1002 . 7 1 1 A 78 78 HIS CB C 78 29.900 32.149 -2.249 1
1 1005 . 7 1 1 A 78 78 HIS N N 78 119.400 114.597 4.803 1
1 1006 . 7 1 1 A 79 79 HIS H H 79 8.250 8.551 -0.301 1
1 1007 . 7 1 1 A 79 79 HIS HA H 79 4.620 5.532 -0.912 1
1 1012 . 7 1 1 A 79 79 HIS C C 79 180.000 175.177 4.823 1
1 1013 . 7 1 1 A 79 79 HIS CA C 79 56.400 53.376 3.024 1
1 1014 . 7 1 1 A 79 79 HIS CB C 79 29.900 33.263 -3.363 1
1 1017 . 7 1 1 A 79 79 HIS N N 79 119.400 117.033 2.367 1
1 1018 . 7 1 1 A 80 80 HIS H H 80 8.250 8.749 -0.499 1
1 1019 . 7 1 1 A 80 80 HIS HA H 80 4.620 4.455 0.165 1
1 1024 . 7 1 1 A 80 80 HIS C C 80 180.000 174.565 5.435 1
1 1025 . 7 1 1 A 80 80 HIS CA C 80 56.400 57.412 -1.012 1
1 1026 . 7 1 1 A 80 80 HIS CB C 80 29.900 31.284 -1.384 1
1 1029 . 7 1 1 A 80 80 HIS N N 80 119.400 119.695 -0.295 1
1 16 . 8 1 1 A 2 2 PHE H H 2 9.360 9.685 -0.325 1
1 17 . 8 1 1 A 2 2 PHE HA H 2 4.960 5.173 -0.213 1
1 25 . 8 1 1 A 2 2 PHE C C 2 173.300 173.702 -0.402 1
1 26 . 8 1 1 A 2 2 PHE CA C 2 56.400 55.987 0.413 1
1 27 . 8 1 1 A 2 2 PHE CB C 2 38.500 41.728 -3.228 1
1 31 . 8 1 1 A 2 2 PHE N N 2 127.300 126.968 0.332 1
1 32 . 8 1 1 A 3 3 SER H H 3 9.150 8.637 0.513 1
1 33 . 8 1 1 A 3 3 SER HA H 3 5.590 5.440 0.150 1
1 36 . 8 1 1 A 3 3 SER C C 3 176.100 175.584 0.516 1
1 37 . 8 1 1 A 3 3 SER CA C 3 56.500 56.190 0.310 1
1 38 . 8 1 1 A 3 3 SER CB C 3 68.100 66.390 1.710 1
1 39 . 8 1 1 A 3 3 SER N N 3 124.000 119.088 4.912 1
1 40 . 8 1 1 A 4 4 LEU H H 4 8.540 8.714 -0.174 1
1 41 . 8 1 1 A 4 4 LEU HA H 4 3.770 4.085 -0.315 1
1 51 . 8 1 1 A 4 4 LEU C C 4 177.200 178.255 -1.055 1
1 52 . 8 1 1 A 4 4 LEU CA C 4 57.300 56.481 0.819 1
1 53 . 8 1 1 A 4 4 LEU CB C 4 41.600 41.527 0.073 1
1 57 . 8 1 1 A 4 4 LEU N N 4 120.800 121.020 -0.220 1
1 58 . 8 1 1 A 5 5 ARG H H 5 7.150 7.757 -0.607 1
1 59 . 8 1 1 A 5 5 ARG HA H 5 3.830 3.999 -0.169 1
1 66 . 8 1 1 A 5 5 ARG C C 5 175.900 177.919 -2.019 1
1 67 . 8 1 1 A 5 5 ARG CA C 5 57.300 58.986 -1.686 1
1 68 . 8 1 1 A 5 5 ARG CB C 5 29.400 30.044 -0.644 1
1 71 . 8 1 1 A 5 5 ARG N N 5 115.100 120.012 -4.912 1
1 72 . 8 1 1 A 6 6 ASP H H 6 7.600 7.173 0.427 1
1 73 . 8 1 1 A 6 6 ASP HA H 6 4.490 4.373 0.117 1
1 76 . 8 1 1 A 6 6 ASP C C 6 175.700 176.231 -0.531 1
1 77 . 8 1 1 A 6 6 ASP CA C 6 54.700 56.015 -1.315 1
1 78 . 8 1 1 A 6 6 ASP CB C 6 42.000 40.857 1.143 1
1 79 . 8 1 1 A 6 6 ASP N N 6 117.000 117.374 -0.374 1
1 80 . 8 1 1 A 7 7 ALA H H 7 6.990 7.245 -0.255 1
1 81 . 8 1 1 A 7 7 ALA HA H 7 4.390 4.345 0.045 1
1 85 . 8 1 1 A 7 7 ALA C C 7 175.300 176.643 -1.343 1
1 86 . 8 1 1 A 7 7 ALA CA C 7 51.600 52.658 -1.058 1
1 87 . 8 1 1 A 7 7 ALA CB C 7 19.500 19.257 0.243 1
1 88 . 8 1 1 A 7 7 ALA N N 7 122.200 121.796 0.404 1
1 89 . 8 1 1 A 8 8 LYS H H 8 8.270 8.537 -0.267 1
1 90 . 8 1 1 A 8 8 LYS HA H 8 4.480 4.902 -0.422 1
1 99 . 8 1 1 A 8 8 LYS C C 8 175.600 176.274 -0.674 1
1 100 . 8 1 1 A 8 8 LYS CA C 8 53.800 54.403 -0.603 1
1 101 . 8 1 1 A 8 8 LYS CB C 8 34.600 35.263 -0.663 1
1 105 . 8 1 1 A 8 8 LYS N N 8 118.500 121.824 -3.324 1
1 106 . 8 1 1 A 9 9 CYS H H 9 8.400 8.640 -0.240 1
1 107 . 8 1 1 A 9 9 CYS HA H 9 3.630 4.327 -0.697 1
1 110 . 8 1 1 A 9 9 CYS C C 9 175.700 175.312 0.388 1
1 111 . 8 1 1 A 9 9 CYS CA C 9 60.300 60.599 -0.299 1
1 112 . 8 1 1 A 9 9 CYS CB C 9 26.700 27.428 -0.728 1
1 113 . 8 1 1 A 9 9 CYS N N 9 117.100 123.799 -6.699 1
1 114 . 8 1 1 A 10 10 GLY H H 10 8.950 9.378 -0.428 1
1 115 . 8 1 1 A 10 10 GLY HA2 H 10 3.790 4.078 -0.288 1
1 116 . 8 1 1 A 10 10 GLY HA3 H 10 4.350 4.126 0.224 1
1 117 . 8 1 1 A 10 10 GLY C C 10 174.600 174.287 0.313 1
1 118 . 8 1 1 A 10 10 GLY CA C 10 44.600 45.207 -0.607 1
1 119 . 8 1 1 A 10 10 GLY N N 10 114.200 113.216 0.984 1
1 120 . 8 1 1 A 11 11 GLN H H 11 7.750 7.877 -0.127 1
1 121 . 8 1 1 A 11 11 GLN HA H 11 4.500 4.472 0.028 1
1 128 . 8 1 1 A 11 11 GLN C C 11 174.200 175.610 -1.410 1
1 129 . 8 1 1 A 11 11 GLN CA C 11 56.000 56.971 -0.971 1
1 130 . 8 1 1 A 11 11 GLN CB C 11 29.400 29.713 -0.313 1
1 132 . 8 1 1 A 11 11 GLN N N 11 118.900 121.028 -2.128 1
1 134 . 8 1 1 A 12 12 THR H H 12 8.380 8.936 -0.556 1
1 135 . 8 1 1 A 12 12 THR HA H 12 5.330 4.901 0.429 1
1 140 . 8 1 1 A 12 12 THR C C 12 174.100 174.322 -0.222 1
1 141 . 8 1 1 A 12 12 THR CA C 12 62.100 62.186 -0.086 1
1 142 . 8 1 1 A 12 12 THR CB C 12 69.600 69.133 0.467 1
1 144 . 8 1 1 A 12 12 THR N N 12 116.600 118.191 -1.591 1
1 145 . 8 1 1 A 13 13 VAL H H 13 9.190 9.554 -0.364 1
1 146 . 8 1 1 A 13 13 VAL HA H 13 5.140 5.417 -0.277 1
1 154 . 8 1 1 A 13 13 VAL C C 13 173.200 174.811 -1.611 1
1 155 . 8 1 1 A 13 13 VAL CA C 13 57.300 59.631 -2.331 1
1 156 . 8 1 1 A 13 13 VAL CB C 13 35.100 35.259 -0.159 1
1 159 . 8 1 1 A 13 13 VAL N N 13 117.500 120.823 -3.323 1
1 160 . 8 1 1 A 14 14 LYS H H 14 9.000 8.770 0.230 1
1 161 . 8 1 1 A 14 14 LYS HA H 14 5.350 5.208 0.142 1
1 170 . 8 1 1 A 14 14 LYS C C 14 176.900 175.858 1.042 1
1 171 . 8 1 1 A 14 14 LYS CA C 14 53.800 54.262 -0.462 1
1 172 . 8 1 1 A 14 14 LYS CB C 14 35.500 36.355 -0.855 1
1 176 . 8 1 1 A 14 14 LYS N N 14 120.300 120.906 -0.606 1
1 177 . 8 1 1 A 15 15 VAL H H 15 8.620 8.967 -0.347 1
1 178 . 8 1 1 A 15 15 VAL HA H 15 3.880 4.051 -0.171 1
1 186 . 8 1 1 A 15 15 VAL C C 15 176.700 176.775 -0.075 1
1 187 . 8 1 1 A 15 15 VAL CA C 15 64.300 63.714 0.586 1
1 188 . 8 1 1 A 15 15 VAL CB C 15 31.500 31.641 -0.141 1
1 191 . 8 1 1 A 15 15 VAL N N 15 123.100 123.207 -0.107 1
1 192 . 8 1 1 A 16 16 VAL H H 16 9.580 9.073 0.507 1
1 193 . 8 1 1 A 16 16 VAL HA H 16 4.100 4.451 -0.351 1
1 201 . 8 1 1 A 16 16 VAL C C 16 175.300 175.601 -0.301 1
1 202 . 8 1 1 A 16 16 VAL CA C 16 63.400 62.089 1.311 1
1 203 . 8 1 1 A 16 16 VAL CB C 16 33.700 33.566 0.134 1
1 206 . 8 1 1 A 16 16 VAL N N 16 130.100 121.060 9.040 1
1 207 . 8 1 1 A 17 17 LYS H H 17 7.490 7.672 -0.182 1
1 208 . 8 1 1 A 17 17 LYS HA H 17 4.380 4.944 -0.564 1
1 217 . 8 1 1 A 17 17 LYS C C 17 172.900 174.109 -1.209 1
1 218 . 8 1 1 A 17 17 LYS CA C 17 56.200 55.474 0.726 1
1 219 . 8 1 1 A 17 17 LYS CB C 17 35.500 36.061 -0.561 1
1 223 . 8 1 1 A 17 17 LYS N N 17 116.800 121.475 -4.675 1
1 224 . 8 1 1 A 18 18 LEU H H 18 8.520 9.005 -0.485 1
1 225 . 8 1 1 A 18 18 LEU HA H 18 4.890 4.970 -0.080 1
1 235 . 8 1 1 A 18 18 LEU C C 18 175.600 176.573 -0.973 1
1 236 . 8 1 1 A 18 18 LEU CA C 18 53.800 53.315 0.485 1
1 237 . 8 1 1 A 18 18 LEU CB C 18 42.500 43.494 -0.994 1
1 241 . 8 1 1 A 18 18 LEU N N 18 124.100 126.221 -2.121 1
1 242 . 8 1 1 A 19 19 HIS H H 19 8.790 9.198 -0.408 1
1 243 . 8 1 1 A 19 19 HIS HA H 19 4.620 4.506 0.114 1
1 248 . 8 1 1 A 19 19 HIS C C 19 173.000 176.039 -3.039 1
1 249 . 8 1 1 A 19 19 HIS CA C 19 55.500 57.694 -2.194 1
1 250 . 8 1 1 A 19 19 HIS CB C 19 32.800 29.727 3.073 1
1 253 . 8 1 1 A 19 19 HIS N N 19 122.700 123.332 -0.632 1
1 254 . 8 1 1 A 20 20 GLY H H 20 8.100 8.102 -0.002 1
1 255 . 8 1 1 A 20 20 GLY HA2 H 20 3.920 3.999 -0.079 1
1 256 . 8 1 1 A 20 20 GLY HA3 H 20 4.510 4.006 0.504 1
1 257 . 8 1 1 A 20 20 GLY C C 20 174.500 175.307 -0.807 1
1 258 . 8 1 1 A 20 20 GLY CA C 20 44.200 45.578 -1.378 1
1 259 . 8 1 1 A 20 20 GLY N N 20 103.400 107.332 -3.932 1
1 260 . 8 1 1 A 21 21 THR H H 21 7.750 8.730 -0.980 1
1 261 . 8 1 1 A 21 21 THR HA H 21 4.450 4.093 0.357 1
1 266 . 8 1 1 A 21 21 THR C C 21 175.400 176.158 -0.758 1
1 267 . 8 1 1 A 21 21 THR CA C 21 60.800 64.971 -4.171 1
1 268 . 8 1 1 A 21 21 THR CB C 21 70.900 67.854 3.046 1
1 270 . 8 1 1 A 21 21 THR N N 21 108.600 115.357 -6.757 1
1 271 . 8 1 1 A 22 22 GLY H H 22 8.780 7.880 0.900 1
1 272 . 8 1 1 A 22 22 GLY HA2 H 22 3.750 4.042 -0.292 1
1 273 . 8 1 1 A 22 22 GLY HA3 H 22 4.030 4.043 -0.013 1
1 274 . 8 1 1 A 22 22 GLY C C 22 176.200 174.814 1.386 1
1 275 . 8 1 1 A 22 22 GLY CA C 22 47.300 46.158 1.142 1
1 276 . 8 1 1 A 22 22 GLY N N 22 108.600 110.515 -1.915 1
1 277 . 8 1 1 A 23 23 ALA H H 23 8.480 8.300 0.180 1
1 278 . 8 1 1 A 23 23 ALA HA H 23 4.080 4.041 0.039 1
1 282 . 8 1 1 A 23 23 ALA C C 23 180.100 180.221 -0.121 1
1 283 . 8 1 1 A 23 23 ALA CA C 23 54.700 54.609 0.091 1
1 284 . 8 1 1 A 23 23 ALA CB C 23 18.400 18.339 0.061 1
1 285 . 8 1 1 A 23 23 ALA N N 23 123.300 124.560 -1.260 1
1 286 . 8 1 1 A 24 24 LEU H H 24 7.830 8.133 -0.303 1
1 287 . 8 1 1 A 24 24 LEU HA H 24 4.120 3.913 0.207 1
1 297 . 8 1 1 A 24 24 LEU C C 24 178.600 179.391 -0.791 1
1 298 . 8 1 1 A 24 24 LEU CA C 24 57.800 58.102 -0.302 1
1 299 . 8 1 1 A 24 24 LEU CB C 24 41.100 41.618 -0.518 1
1 303 . 8 1 1 A 24 24 LEU N N 24 120.400 118.687 1.713 1
1 304 . 8 1 1 A 25 25 LYS H H 25 7.960 8.238 -0.278 1
1 305 . 8 1 1 A 25 25 LYS HA H 25 3.750 3.898 -0.148 1
1 314 . 8 1 1 A 25 25 LYS C C 25 178.300 178.982 -0.682 1
1 315 . 8 1 1 A 25 25 LYS CA C 25 60.400 60.340 0.060 1
1 316 . 8 1 1 A 25 25 LYS CB C 25 32.000 32.388 -0.388 1
1 320 . 8 1 1 A 25 25 LYS N N 25 118.000 117.548 0.452 1
1 321 . 8 1 1 A 26 26 ARG H H 26 7.890 7.865 0.025 1
1 322 . 8 1 1 A 26 26 ARG HA H 26 3.970 3.876 0.094 1
1 329 . 8 1 1 A 26 26 ARG C C 26 177.700 178.682 -0.982 1
1 330 . 8 1 1 A 26 26 ARG CA C 26 58.700 59.276 -0.576 1
1 331 . 8 1 1 A 26 26 ARG CB C 26 30.000 30.008 -0.008 1
1 334 . 8 1 1 A 26 26 ARG N N 26 117.100 119.713 -2.613 1
1 335 . 8 1 1 A 27 27 ARG H H 27 7.660 7.848 -0.188 1
1 336 . 8 1 1 A 27 27 ARG HA H 27 4.100 4.071 0.029 1
1 343 . 8 1 1 A 27 27 ARG C C 27 179.000 178.887 0.113 1
1 344 . 8 1 1 A 27 27 ARG CA C 27 59.100 58.848 0.252 1
1 345 . 8 1 1 A 27 27 ARG CB C 27 29.800 29.806 -0.006 1
1 348 . 8 1 1 A 27 27 ARG N N 27 118.600 119.648 -1.048 1
1 349 . 8 1 1 A 28 28 ILE H H 28 7.970 8.039 -0.069 1
1 350 . 8 1 1 A 28 28 ILE HA H 28 3.740 3.656 0.084 1
1 360 . 8 1 1 A 28 28 ILE C C 28 178.700 178.080 0.620 1
1 361 . 8 1 1 A 28 28 ILE CA C 28 64.800 65.022 -0.222 1
1 362 . 8 1 1 A 28 28 ILE CB C 28 38.100 38.021 0.079 1
1 366 . 8 1 1 A 28 28 ILE N N 28 119.400 119.707 -0.307 1
1 367 . 8 1 1 A 29 29 MET H H 29 8.420 8.192 0.228 1
1 368 . 8 1 1 A 29 29 MET HA H 29 4.370 4.678 -0.308 1
1 376 . 8 1 1 A 29 29 MET C C 29 181.400 177.957 3.443 1
1 377 . 8 1 1 A 29 29 MET CA C 29 59.100 58.120 0.980 1
1 378 . 8 1 1 A 29 29 MET CB C 29 32.800 31.265 1.535 1
1 381 . 8 1 1 A 29 29 MET N N 29 119.900 118.477 1.423 1
1 382 . 8 1 1 A 30 30 ASP H H 30 8.650 8.781 -0.131 1
1 383 . 8 1 1 A 30 30 ASP HA H 30 4.440 4.365 0.075 1
1 386 . 8 1 1 A 30 30 ASP C C 30 178.200 178.182 0.018 1
1 387 . 8 1 1 A 30 30 ASP CA C 30 56.700 57.642 -0.942 1
1 388 . 8 1 1 A 30 30 ASP CB C 30 39.900 41.319 -1.419 1
1 389 . 8 1 1 A 30 30 ASP N N 30 121.800 120.676 1.124 1
1 390 . 8 1 1 A 31 31 MET H H 31 7.570 7.551 0.019 1
1 391 . 8 1 1 A 31 31 MET HA H 31 4.290 4.479 -0.189 1
1 399 . 8 1 1 A 31 31 MET C C 31 175.700 176.006 -0.306 1
1 400 . 8 1 1 A 31 31 MET CA C 31 56.800 55.989 0.811 1
1 401 . 8 1 1 A 31 31 MET CB C 31 33.300 32.503 0.797 1
1 404 . 8 1 1 A 31 31 MET N N 31 117.500 116.169 1.331 1
1 405 . 8 1 1 A 32 32 GLY H H 32 7.990 7.887 0.103 1
1 406 . 8 1 1 A 32 32 GLY HA2 H 32 4.270 4.031 0.239 1
1 407 . 8 1 1 A 32 32 GLY HA3 H 32 3.630 4.039 -0.409 1
1 408 . 8 1 1 A 32 32 GLY C C 32 173.600 174.286 -0.686 1
1 409 . 8 1 1 A 32 32 GLY CA C 32 44.200 45.029 -0.829 1
1 410 . 8 1 1 A 32 32 GLY N N 32 104.400 105.178 -0.778 1
1 411 . 8 1 1 A 33 33 ILE H H 33 7.140 7.816 -0.676 1
1 412 . 8 1 1 A 33 33 ILE HA H 33 4.120 4.192 -0.072 1
1 422 . 8 1 1 A 33 33 ILE C C 33 172.400 174.768 -2.368 1
1 423 . 8 1 1 A 33 33 ILE CA C 33 61.700 60.790 0.910 1
1 424 . 8 1 1 A 33 33 ILE CB C 33 37.200 37.444 -0.244 1
1 428 . 8 1 1 A 33 33 ILE N N 33 120.800 122.907 -2.107 1
1 429 . 8 1 1 A 34 34 THR H H 34 6.930 8.864 -1.934 1
1 430 . 8 1 1 A 34 34 THR HA H 34 4.590 5.059 -0.469 1
1 435 . 8 1 1 A 34 34 THR C C 34 174.400 172.892 1.508 1
1 436 . 8 1 1 A 34 34 THR CA C 34 58.300 59.486 -1.186 1
1 437 . 8 1 1 A 34 34 THR CB C 34 72.200 71.899 0.301 1
1 439 . 8 1 1 A 34 34 THR N N 34 113.300 120.898 -7.598 1
1 440 . 8 1 1 A 35 35 ARG H H 35 8.760 8.513 0.247 1
1 441 . 8 1 1 A 35 35 ARG HA H 35 3.520 4.233 -0.713 1
1 448 . 8 1 1 A 35 35 ARG C C 35 176.800 176.580 0.220 1
1 449 . 8 1 1 A 35 35 ARG CA C 35 58.700 56.343 2.357 1
1 450 . 8 1 1 A 35 35 ARG CB C 35 29.700 30.569 -0.869 1
1 453 . 8 1 1 A 35 35 ARG N N 35 121.300 122.735 -1.435 1
1 454 . 8 1 1 A 36 36 GLY H H 36 8.950 9.348 -0.398 1
1 455 . 8 1 1 A 36 36 GLY HA2 H 36 4.460 4.013 0.447 1
1 456 . 8 1 1 A 36 36 GLY HA3 H 36 3.560 4.016 -0.456 1
1 457 . 8 1 1 A 36 36 GLY C C 36 173.900 174.609 -0.709 1
1 458 . 8 1 1 A 36 36 GLY CA C 36 44.700 45.044 -0.344 1
1 459 . 8 1 1 A 36 36 GLY N N 36 114.200 110.695 3.505 1
1 460 . 8 1 1 A 37 37 CYS H H 37 7.950 7.619 0.331 1
1 461 . 8 1 1 A 37 37 CYS HA H 37 4.550 4.634 -0.084 1
1 464 . 8 1 1 A 37 37 CYS C C 37 172.900 175.483 -2.583 1
1 465 . 8 1 1 A 37 37 CYS CA C 37 59.200 59.555 -0.355 1
1 466 . 8 1 1 A 37 37 CYS CB C 37 28.000 28.616 -0.616 1
1 467 . 8 1 1 A 37 37 CYS N N 37 118.400 119.880 -1.480 1
1 468 . 8 1 1 A 38 38 GLU H H 38 8.540 8.521 0.019 1
1 469 . 8 1 1 A 38 38 GLU HA H 38 5.160 4.734 0.426 1
1 474 . 8 1 1 A 38 38 GLU C C 38 176.000 176.372 -0.372 1
1 475 . 8 1 1 A 38 38 GLU CA C 38 55.300 55.916 -0.616 1
1 476 . 8 1 1 A 38 38 GLU CB C 38 31.500 30.359 1.141 1
1 478 . 8 1 1 A 38 38 GLU N N 38 123.100 122.177 0.923 1
1 479 . 8 1 1 A 39 39 ILE H H 39 9.360 9.692 -0.332 1
1 480 . 8 1 1 A 39 39 ILE HA H 39 4.600 4.789 -0.189 1
1 490 . 8 1 1 A 39 39 ILE C C 39 173.700 174.373 -0.673 1
1 491 . 8 1 1 A 39 39 ILE CA C 39 60.500 60.417 0.083 1
1 492 . 8 1 1 A 39 39 ILE CB C 39 41.300 40.875 0.425 1
1 496 . 8 1 1 A 39 39 ILE N N 39 124.000 125.317 -1.317 1
1 497 . 8 1 1 A 40 40 TYR H H 40 8.540 8.984 -0.444 1
1 498 . 8 1 1 A 40 40 TYR HA H 40 5.340 6.165 -0.825 1
1 505 . 8 1 1 A 40 40 TYR C C 40 175.000 174.742 0.258 1
1 506 . 8 1 1 A 40 40 TYR CA C 40 55.900 55.486 0.414 1
1 507 . 8 1 1 A 40 40 TYR CB C 40 40.900 41.342 -0.442 1
1 510 . 8 1 1 A 40 40 TYR N N 40 127.000 124.906 2.094 1
1 511 . 8 1 1 A 41 41 ILE H H 41 7.850 8.739 -0.889 1
1 512 . 8 1 1 A 41 41 ILE HA H 41 3.910 4.027 -0.117 1
1 522 . 8 1 1 A 41 41 ILE C C 41 173.600 176.004 -2.404 1
1 523 . 8 1 1 A 41 41 ILE CA C 41 61.500 62.100 -0.600 1
1 524 . 8 1 1 A 41 41 ILE CB C 41 35.800 36.896 -1.096 1
1 528 . 8 1 1 A 41 41 ILE N N 41 127.800 125.165 2.635 1
1 529 . 8 1 1 A 42 42 ARG H H 42 8.460 8.648 -0.188 1
1 530 . 8 1 1 A 42 42 ARG HA H 42 4.110 4.346 -0.236 1
1 537 . 8 1 1 A 42 42 ARG C C 42 176.500 175.486 1.014 1
1 538 . 8 1 1 A 42 42 ARG CA C 42 57.700 57.669 0.031 1
1 539 . 8 1 1 A 42 42 ARG CB C 42 31.400 31.155 0.245 1
1 542 . 8 1 1 A 42 42 ARG N N 42 128.100 129.992 -1.892 1
1 543 . 8 1 1 A 43 43 LYS H H 43 7.920 8.017 -0.097 1
1 544 . 8 1 1 A 43 43 LYS HA H 43 4.530 4.801 -0.271 1
1 553 . 8 1 1 A 43 43 LYS C C 43 173.100 173.917 -0.817 1
1 554 . 8 1 1 A 43 43 LYS CA C 43 56.400 55.585 0.815 1
1 555 . 8 1 1 A 43 43 LYS CB C 43 36.100 35.665 0.435 1
1 559 . 8 1 1 A 43 43 LYS N N 43 116.400 118.441 -2.041 1
1 560 . 8 1 1 A 44 44 VAL H H 44 8.450 9.077 -0.627 1
1 561 . 8 1 1 A 44 44 VAL HA H 44 4.260 4.686 -0.426 1
1 569 . 8 1 1 A 44 44 VAL C C 44 175.000 175.466 -0.466 1
1 570 . 8 1 1 A 44 44 VAL CA C 44 61.500 60.861 0.639 1
1 571 . 8 1 1 A 44 44 VAL CB C 44 34.200 33.809 0.391 1
1 574 . 8 1 1 A 44 44 VAL N N 44 123.900 127.184 -3.284 1
1 575 . 8 1 1 A 45 45 ALA H H 45 7.550 8.299 -0.749 1
1 576 . 8 1 1 A 45 45 ALA HA H 45 4.480 4.462 0.018 1
1 580 . 8 1 1 A 45 45 ALA CA C 45 51.500 50.486 1.014 1
1 581 . 8 1 1 A 45 45 ALA CB C 45 17.600 17.896 -0.296 1
1 582 . 8 1 1 A 45 45 ALA N N 45 129.600 130.175 -0.575 1
1 583 . 8 1 1 A 46 46 PRO HA H 46 4.290 4.323 -0.033 1
1 590 . 8 1 1 A 46 46 PRO C C 46 177.800 178.068 -0.268 1
1 591 . 8 1 1 A 46 46 PRO CA C 46 65.500 65.772 -0.272 1
1 592 . 8 1 1 A 46 46 PRO CB C 46 31.600 31.787 -0.187 1
1 595 . 8 1 1 A 47 47 LEU H H 47 8.330 8.177 0.153 1
1 596 . 8 1 1 A 47 47 LEU HA H 47 4.330 4.250 0.080 1
1 606 . 8 1 1 A 47 47 LEU C C 47 178.000 176.933 1.067 1
1 607 . 8 1 1 A 47 47 LEU CA C 47 55.300 56.252 -0.952 1
1 608 . 8 1 1 A 47 47 LEU CB C 47 40.300 43.035 -2.735 1
1 612 . 8 1 1 A 47 47 LEU N N 47 115.100 117.371 -2.271 1
1 613 . 8 1 1 A 48 48 GLY H H 48 8.420 8.179 0.241 1
1 614 . 8 1 1 A 48 48 GLY HA2 H 48 4.090 4.025 0.065 1
1 615 . 8 1 1 A 48 48 GLY HA3 H 48 3.490 4.027 -0.537 1
1 616 . 8 1 1 A 48 48 GLY C C 48 171.900 173.254 -1.354 1
1 617 . 8 1 1 A 48 48 GLY CA C 48 45.500 44.996 0.504 1
1 618 . 8 1 1 A 48 48 GLY N N 48 107.400 107.276 0.124 1
1 619 . 8 1 1 A 49 49 ASP H H 49 6.850 7.847 -0.997 1
1 620 . 8 1 1 A 49 49 ASP HA H 49 5.050 5.141 -0.091 1
1 623 . 8 1 1 A 49 49 ASP CA C 49 50.200 50.693 -0.493 1
1 624 . 8 1 1 A 49 49 ASP CB C 49 45.300 43.951 1.349 1
1 625 . 8 1 1 A 49 49 ASP N N 49 116.000 121.126 -5.126 1
1 626 . 8 1 1 A 50 50 PRO HA H 50 5.450 4.641 0.809 1
1 633 . 8 1 1 A 50 50 PRO C C 50 174.900 175.407 -0.507 1
1 634 . 8 1 1 A 50 50 PRO CA C 50 63.900 62.164 1.736 1
1 635 . 8 1 1 A 50 50 PRO CB C 50 35.600 33.196 2.404 1
1 638 . 8 1 1 A 51 51 ILE H H 51 8.980 8.797 0.183 1
1 639 . 8 1 1 A 51 51 ILE HA H 51 4.400 4.649 -0.249 1
1 649 . 8 1 1 A 51 51 ILE C C 51 174.500 174.387 0.113 1
1 650 . 8 1 1 A 51 51 ILE CA C 51 61.100 59.880 1.220 1
1 651 . 8 1 1 A 51 51 ILE CB C 51 40.900 39.709 1.191 1
1 655 . 8 1 1 A 51 51 ILE N N 51 118.100 120.385 -2.285 1
1 656 . 8 1 1 A 52 52 GLN H H 52 9.060 9.535 -0.475 1
1 657 . 8 1 1 A 52 52 GLN HA H 52 5.160 5.165 -0.005 1
1 664 . 8 1 1 A 52 52 GLN C C 52 175.800 175.453 0.347 1
1 665 . 8 1 1 A 52 52 GLN CA C 52 54.900 54.808 0.092 1
1 666 . 8 1 1 A 52 52 GLN CB C 52 29.600 30.560 -0.960 1
1 668 . 8 1 1 A 52 52 GLN N N 52 126.100 127.533 -1.433 1
1 670 . 8 1 1 A 53 53 ILE H H 53 9.080 9.128 -0.048 1
1 671 . 8 1 1 A 53 53 ILE HA H 53 5.440 4.796 0.644 1
1 681 . 8 1 1 A 53 53 ILE C C 53 174.000 173.717 0.283 1
1 682 . 8 1 1 A 53 53 ILE CA C 53 58.700 58.696 0.004 1
1 683 . 8 1 1 A 53 53 ILE CB C 53 41.500 41.239 0.261 1
1 687 . 8 1 1 A 53 53 ILE N N 53 117.600 121.226 -3.626 1
1 688 . 8 1 1 A 54 54 ASN H H 54 9.360 8.032 1.328 1
1 689 . 8 1 1 A 54 54 ASN HA H 54 5.840 4.888 0.952 1
1 694 . 8 1 1 A 54 54 ASN C C 54 174.800 174.262 0.538 1
1 695 . 8 1 1 A 54 54 ASN CA C 54 52.300 51.894 0.406 1
1 696 . 8 1 1 A 54 54 ASN CB C 54 42.200 39.388 2.812 1
1 697 . 8 1 1 A 54 54 ASN N N 54 120.100 122.351 -2.251 1
1 699 . 8 1 1 A 55 55 VAL H H 55 8.900 9.207 -0.307 1
1 700 . 8 1 1 A 55 55 VAL HA H 55 4.480 4.536 -0.056 1
1 708 . 8 1 1 A 55 55 VAL C C 55 174.400 175.805 -1.405 1
1 709 . 8 1 1 A 55 55 VAL CA C 55 60.800 61.164 -0.364 1
1 710 . 8 1 1 A 55 55 VAL CB C 55 34.300 33.945 0.355 1
1 713 . 8 1 1 A 55 55 VAL N N 55 124.400 126.820 -2.420 1
1 714 . 8 1 1 A 56 56 ARG H H 56 9.680 9.586 0.094 1
1 715 . 8 1 1 A 56 56 ARG HA H 56 3.880 4.040 -0.160 1
1 722 . 8 1 1 A 56 56 ARG C C 56 175.000 176.292 -1.292 1
1 723 . 8 1 1 A 56 56 ARG CA C 56 57.200 57.333 -0.133 1
1 724 . 8 1 1 A 56 56 ARG CB C 56 28.400 28.276 0.124 1
1 727 . 8 1 1 A 56 56 ARG N N 56 125.100 128.152 -3.052 1
1 728 . 8 1 1 A 57 57 GLY H H 57 8.130 8.476 -0.346 1
1 729 . 8 1 1 A 57 57 GLY HA2 H 57 4.130 3.946 0.184 1
1 730 . 8 1 1 A 57 57 GLY HA3 H 57 3.610 3.955 -0.345 1
1 731 . 8 1 1 A 57 57 GLY C C 57 174.300 173.306 0.994 1
1 732 . 8 1 1 A 57 57 GLY CA C 57 45.300 45.447 -0.147 1
1 733 . 8 1 1 A 57 57 GLY N N 57 103.500 105.893 -2.393 1
1 734 . 8 1 1 A 58 58 TYR H H 58 8.180 8.035 0.145 1
1 735 . 8 1 1 A 58 58 TYR HA H 58 4.750 4.799 -0.049 1
1 742 . 8 1 1 A 58 58 TYR C C 58 174.500 174.798 -0.298 1
1 743 . 8 1 1 A 58 58 TYR CA C 58 56.600 56.682 -0.082 1
1 744 . 8 1 1 A 58 58 TYR CB C 58 39.500 40.488 -0.988 1
1 747 . 8 1 1 A 58 58 TYR N N 58 121.300 121.957 -0.657 1
1 748 . 8 1 1 A 59 59 GLU H H 59 8.480 8.000 0.480 1
1 749 . 8 1 1 A 59 59 GLU HA H 59 5.120 4.563 0.557 1
1 754 . 8 1 1 A 59 59 GLU C C 59 178.400 176.029 2.371 1
1 755 . 8 1 1 A 59 59 GLU CA C 59 55.200 55.934 -0.734 1
1 756 . 8 1 1 A 59 59 GLU CB C 59 30.400 29.973 0.427 1
1 758 . 8 1 1 A 59 59 GLU N N 59 122.400 124.387 -1.987 1
1 759 . 8 1 1 A 60 60 LEU H H 60 8.900 9.585 -0.685 1
1 760 . 8 1 1 A 60 60 LEU HA H 60 4.830 5.092 -0.262 1
1 770 . 8 1 1 A 60 60 LEU C C 60 175.100 175.379 -0.279 1
1 771 . 8 1 1 A 60 60 LEU CA C 60 53.800 53.376 0.424 1
1 772 . 8 1 1 A 60 60 LEU CB C 60 46.200 45.294 0.906 1
1 776 . 8 1 1 A 60 60 LEU N N 60 124.600 127.001 -2.401 1
1 777 . 8 1 1 A 61 61 SER H H 61 8.390 9.187 -0.797 1
1 778 . 8 1 1 A 61 61 SER HA H 61 5.150 4.984 0.166 1
1 781 . 8 1 1 A 61 61 SER C C 61 173.300 172.897 0.403 1
1 782 . 8 1 1 A 61 61 SER CA C 61 56.600 56.676 -0.076 1
1 783 . 8 1 1 A 61 61 SER CB C 61 63.900 64.430 -0.530 1
1 784 . 8 1 1 A 61 61 SER N N 61 116.100 118.197 -2.097 1
1 785 . 8 1 1 A 62 62 LEU H H 62 9.190 8.851 0.339 1
1 786 . 8 1 1 A 62 62 LEU HA H 62 4.700 4.917 -0.217 1
1 796 . 8 1 1 A 62 62 LEU C C 62 175.800 176.766 -0.966 1
1 797 . 8 1 1 A 62 62 LEU CA C 62 53.000 53.349 -0.349 1
1 798 . 8 1 1 A 62 62 LEU CB C 62 45.900 44.382 1.518 1
1 802 . 8 1 1 A 62 62 LEU N N 62 126.800 128.897 -2.097 1
1 803 . 8 1 1 A 63 63 ARG H H 63 8.670 8.895 -0.225 1
1 804 . 8 1 1 A 63 63 ARG HA H 63 4.640 4.506 0.134 1
1 811 . 8 1 1 A 63 63 ARG C C 63 176.000 177.754 -1.754 1
1 812 . 8 1 1 A 63 63 ARG CA C 63 53.700 55.976 -2.276 1
1 813 . 8 1 1 A 63 63 ARG CB C 63 29.100 31.193 -2.093 1
1 816 . 8 1 1 A 63 63 ARG N N 63 120.600 121.619 -1.019 1
1 817 . 8 1 1 A 64 64 LYS H H 64 8.900 9.484 -0.584 1
1 818 . 8 1 1 A 64 64 LYS HA H 64 3.800 3.993 -0.193 1
1 827 . 8 1 1 A 64 64 LYS C C 64 177.100 178.255 -1.155 1
1 828 . 8 1 1 A 64 64 LYS CA C 64 60.200 58.993 1.207 1
1 829 . 8 1 1 A 64 64 LYS CB C 64 32.300 31.981 0.319 1
1 833 . 8 1 1 A 64 64 LYS N N 64 124.600 122.563 2.037 1
1 834 . 8 1 1 A 65 65 SER H H 65 8.380 8.064 0.316 1
1 835 . 8 1 1 A 65 65 SER HA H 65 4.130 4.290 -0.160 1
1 838 . 8 1 1 A 65 65 SER C C 65 176.000 176.703 -0.703 1
1 839 . 8 1 1 A 65 65 SER CA C 65 60.300 61.972 -1.672 1
1 840 . 8 1 1 A 65 65 SER CB C 65 61.900 62.811 -0.911 1
1 841 . 8 1 1 A 65 65 SER N N 65 110.900 117.153 -6.253 1
1 842 . 8 1 1 A 66 66 ALA H H 66 6.910 7.816 -0.906 1
1 843 . 8 1 1 A 66 66 ALA HA H 66 4.290 4.155 0.135 1
1 847 . 8 1 1 A 66 66 ALA C C 66 178.800 179.782 -0.982 1
1 848 . 8 1 1 A 66 66 ALA CA C 66 54.000 54.991 -0.991 1
1 849 . 8 1 1 A 66 66 ALA CB C 66 18.800 18.353 0.447 1
1 850 . 8 1 1 A 66 66 ALA N N 66 122.600 123.561 -0.961 1
1 851 . 8 1 1 A 67 67 ALA H H 67 8.050 7.763 0.287 1
1 852 . 8 1 1 A 67 67 ALA HA H 67 3.850 4.031 -0.181 1
1 856 . 8 1 1 A 67 67 ALA C C 67 178.800 179.415 -0.615 1
1 857 . 8 1 1 A 67 67 ALA CA C 67 54.900 54.906 -0.006 1
1 858 . 8 1 1 A 67 67 ALA CB C 67 18.700 18.332 0.368 1
1 859 . 8 1 1 A 67 67 ALA N N 67 118.800 120.579 -1.779 1
1 860 . 8 1 1 A 68 68 GLU H H 68 7.910 8.304 -0.394 1
1 861 . 8 1 1 A 68 68 GLU HA H 68 4.150 4.133 0.017 1
1 866 . 8 1 1 A 68 68 GLU C C 68 175.900 177.686 -1.786 1
1 867 . 8 1 1 A 68 68 GLU CA C 68 57.200 58.354 -1.154 1
1 868 . 8 1 1 A 68 68 GLU CB C 68 29.800 29.328 0.472 1
1 870 . 8 1 1 A 68 68 GLU N N 68 113.100 118.063 -4.963 1
1 871 . 8 1 1 A 69 69 MET H H 69 7.360 7.914 -0.554 1
1 872 . 8 1 1 A 69 69 MET HA H 69 4.590 4.333 0.257 1
1 880 . 8 1 1 A 69 69 MET C C 69 174.400 175.342 -0.942 1
1 881 . 8 1 1 A 69 69 MET CA C 69 53.800 55.032 -1.232 1
1 882 . 8 1 1 A 69 69 MET CB C 69 32.400 32.776 -0.376 1
1 885 . 8 1 1 A 69 69 MET N N 69 114.100 115.066 -0.966 1
1 886 . 8 1 1 A 70 70 ILE H H 70 7.310 7.253 0.057 1
1 887 . 8 1 1 A 70 70 ILE HA H 70 4.260 4.340 -0.080 1
1 897 . 8 1 1 A 70 70 ILE C C 70 174.100 174.806 -0.706 1
1 898 . 8 1 1 A 70 70 ILE CA C 70 60.900 60.897 0.003 1
1 899 . 8 1 1 A 70 70 ILE CB C 70 38.700 38.422 0.278 1
1 903 . 8 1 1 A 70 70 ILE N N 70 120.300 121.342 -1.042 1
1 904 . 8 1 1 A 71 71 GLU H H 71 8.910 9.309 -0.399 1
1 905 . 8 1 1 A 71 71 GLU HA H 71 4.750 4.963 -0.213 1
1 910 . 8 1 1 A 71 71 GLU C C 71 177.100 176.382 0.718 1
1 911 . 8 1 1 A 71 71 GLU CA C 71 55.900 55.754 0.146 1
1 912 . 8 1 1 A 71 71 GLU CB C 71 30.600 31.317 -0.717 1
1 914 . 8 1 1 A 71 71 GLU N N 71 129.500 128.419 1.081 1
1 915 . 8 1 1 A 72 72 VAL H H 72 8.880 9.227 -0.347 1
1 916 . 8 1 1 A 72 72 VAL HA H 72 5.520 5.466 0.054 1
1 924 . 8 1 1 A 72 72 VAL C C 72 173.200 174.480 -1.280 1
1 925 . 8 1 1 A 72 72 VAL CA C 72 58.500 58.807 -0.307 1
1 926 . 8 1 1 A 72 72 VAL CB C 72 36.200 35.717 0.483 1
1 929 . 8 1 1 A 72 72 VAL N N 72 119.400 120.748 -1.348 1
1 930 . 8 1 1 A 73 73 GLU H H 73 8.720 9.185 -0.465 1
1 931 . 8 1 1 A 73 73 GLU HA H 73 4.750 4.962 -0.212 1
1 936 . 8 1 1 A 73 73 GLU C C 73 175.300 174.901 0.399 1
1 937 . 8 1 1 A 73 73 GLU CA C 73 54.000 54.328 -0.328 1
1 938 . 8 1 1 A 73 73 GLU CB C 73 33.300 33.604 -0.304 1
1 940 . 8 1 1 A 73 73 GLU N N 73 116.600 120.677 -4.077 1
1 941 . 8 1 1 A 74 74 LEU H H 74 8.780 8.846 -0.066 1
1 942 . 8 1 1 A 74 74 LEU HA H 74 4.330 4.567 -0.237 1
1 952 . 8 1 1 A 74 74 LEU C C 74 176.400 177.310 -0.910 1
1 953 . 8 1 1 A 74 74 LEU CA C 74 55.400 54.508 0.892 1
1 954 . 8 1 1 A 74 74 LEU CB C 74 42.600 41.525 1.075 1
1 958 . 8 1 1 A 74 74 LEU N N 74 124.100 123.929 0.171 1
1 959 . 8 1 1 A 75 75 GLU H H 75 8.450 9.081 -0.631 1
1 960 . 8 1 1 A 75 75 GLU HA H 75 4.350 4.063 0.287 1
1 965 . 8 1 1 A 75 75 GLU C C 75 175.700 176.447 -0.747 1
1 966 . 8 1 1 A 75 75 GLU CA C 75 55.800 59.282 -3.482 1
1 967 . 8 1 1 A 75 75 GLU CB C 75 30.500 29.614 0.886 1
1 969 . 8 1 1 A 75 75 GLU N N 75 123.500 126.034 -2.534 1
1 970 . 8 1 1 A 76 76 HIS H H 76 8.500 8.120 0.380 1
1 971 . 8 1 1 A 76 76 HIS HA H 76 4.590 4.949 -0.359 1
1 976 . 8 1 1 A 76 76 HIS C C 76 173.800 174.539 -0.739 1
1 977 . 8 1 1 A 76 76 HIS CA C 76 55.700 54.192 1.508 1
1 978 . 8 1 1 A 76 76 HIS CB C 76 30.200 29.955 0.245 1
1 981 . 8 1 1 A 76 76 HIS N N 76 120.800 116.400 4.400 1
1 982 . 8 1 1 A 77 77 HIS H H 77 8.100 8.865 -0.765 1
1 983 . 8 1 1 A 77 77 HIS HA H 77 4.610 4.530 0.080 1
1 988 . 8 1 1 A 77 77 HIS C C 77 180.000 175.056 4.944 1
1 989 . 8 1 1 A 77 77 HIS CA C 77 56.400 55.864 0.536 1
1 990 . 8 1 1 A 77 77 HIS CB C 77 29.900 30.432 -0.532 1
1 993 . 8 1 1 A 77 77 HIS N N 77 125.100 122.752 2.348 1
1 994 . 8 1 1 A 78 78 HIS H H 78 8.250 8.926 -0.676 1
1 995 . 8 1 1 A 78 78 HIS HA H 78 4.620 4.574 0.046 1
1 1000 . 8 1 1 A 78 78 HIS C C 78 180.000 174.714 5.286 1
1 1001 . 8 1 1 A 78 78 HIS CA C 78 56.400 56.066 0.334 1
1 1002 . 8 1 1 A 78 78 HIS CB C 78 29.900 29.281 0.619 1
1 1005 . 8 1 1 A 78 78 HIS N N 78 119.400 121.456 -2.056 1
1 1006 . 8 1 1 A 79 79 HIS H H 79 8.250 8.805 -0.555 1
1 1007 . 8 1 1 A 79 79 HIS HA H 79 4.620 4.706 -0.086 1
1 1012 . 8 1 1 A 79 79 HIS C C 79 180.000 173.928 6.072 1
1 1013 . 8 1 1 A 79 79 HIS CA C 79 56.400 54.919 1.481 1
1 1014 . 8 1 1 A 79 79 HIS CB C 79 29.900 29.184 0.716 1
1 1017 . 8 1 1 A 79 79 HIS N N 79 119.400 124.873 -5.473 1
1 1018 . 8 1 1 A 80 80 HIS H H 80 8.250 8.610 -0.360 1
1 1019 . 8 1 1 A 80 80 HIS HA H 80 4.620 4.780 -0.160 1
1 1024 . 8 1 1 A 80 80 HIS C C 80 180.000 173.742 6.258 1
1 1025 . 8 1 1 A 80 80 HIS CA C 80 56.400 54.934 1.466 1
1 1026 . 8 1 1 A 80 80 HIS CB C 80 29.900 29.312 0.588 1
1 1029 . 8 1 1 A 80 80 HIS N N 80 119.400 128.092 -8.692 1
1 16 . 9 1 1 A 2 2 PHE H H 2 9.360 9.093 0.267 1
1 17 . 9 1 1 A 2 2 PHE HA H 2 4.960 4.748 0.212 1
1 25 . 9 1 1 A 2 2 PHE C C 2 173.300 174.385 -1.085 1
1 26 . 9 1 1 A 2 2 PHE CA C 2 56.400 56.729 -0.329 1
1 27 . 9 1 1 A 2 2 PHE CB C 2 38.500 39.711 -1.211 1
1 31 . 9 1 1 A 2 2 PHE N N 2 127.300 124.750 2.550 1
1 32 . 9 1 1 A 3 3 SER H H 3 9.150 8.450 0.700 1
1 33 . 9 1 1 A 3 3 SER HA H 3 5.590 4.735 0.855 1
1 36 . 9 1 1 A 3 3 SER C C 3 176.100 174.758 1.342 1
1 37 . 9 1 1 A 3 3 SER CA C 3 56.500 56.665 -0.165 1
1 38 . 9 1 1 A 3 3 SER CB C 3 68.100 64.473 3.627 1
1 39 . 9 1 1 A 3 3 SER N N 3 124.000 123.447 0.553 1
1 40 . 9 1 1 A 4 4 LEU H H 4 8.540 8.338 0.202 1
1 41 . 9 1 1 A 4 4 LEU HA H 4 3.770 4.062 -0.292 1
1 51 . 9 1 1 A 4 4 LEU C C 4 177.200 178.242 -1.042 1
1 52 . 9 1 1 A 4 4 LEU CA C 4 57.300 57.665 -0.365 1
1 53 . 9 1 1 A 4 4 LEU CB C 4 41.600 41.857 -0.257 1
1 57 . 9 1 1 A 4 4 LEU N N 4 120.800 129.714 -8.914 1
1 58 . 9 1 1 A 5 5 ARG H H 5 7.150 8.736 -1.586 1
1 59 . 9 1 1 A 5 5 ARG HA H 5 3.830 4.096 -0.266 1
1 66 . 9 1 1 A 5 5 ARG C C 5 175.900 177.610 -1.710 1
1 67 . 9 1 1 A 5 5 ARG CA C 5 57.300 57.825 -0.525 1
1 68 . 9 1 1 A 5 5 ARG CB C 5 29.400 29.183 0.217 1
1 71 . 9 1 1 A 5 5 ARG N N 5 115.100 117.449 -2.349 1
1 72 . 9 1 1 A 6 6 ASP H H 6 7.600 7.460 0.140 1
1 73 . 9 1 1 A 6 6 ASP HA H 6 4.490 4.569 -0.079 1
1 76 . 9 1 1 A 6 6 ASP C C 6 175.700 176.187 -0.487 1
1 77 . 9 1 1 A 6 6 ASP CA C 6 54.700 55.071 -0.371 1
1 78 . 9 1 1 A 6 6 ASP CB C 6 42.000 41.236 0.764 1
1 79 . 9 1 1 A 6 6 ASP N N 6 117.000 119.248 -2.248 1
1 80 . 9 1 1 A 7 7 ALA H H 7 6.990 7.300 -0.310 1
1 81 . 9 1 1 A 7 7 ALA HA H 7 4.390 4.322 0.068 1
1 85 . 9 1 1 A 7 7 ALA C C 7 175.300 177.455 -2.155 1
1 86 . 9 1 1 A 7 7 ALA CA C 7 51.600 53.033 -1.433 1
1 87 . 9 1 1 A 7 7 ALA CB C 7 19.500 19.176 0.324 1
1 88 . 9 1 1 A 7 7 ALA N N 7 122.200 121.432 0.768 1
1 89 . 9 1 1 A 8 8 LYS H H 8 8.270 8.610 -0.340 1
1 90 . 9 1 1 A 8 8 LYS HA H 8 4.480 4.790 -0.310 1
1 99 . 9 1 1 A 8 8 LYS C C 8 175.600 176.054 -0.454 1
1 100 . 9 1 1 A 8 8 LYS CA C 8 53.800 54.507 -0.707 1
1 101 . 9 1 1 A 8 8 LYS CB C 8 34.600 35.380 -0.780 1
1 105 . 9 1 1 A 8 8 LYS N N 8 118.500 119.385 -0.885 1
1 106 . 9 1 1 A 9 9 CYS H H 9 8.400 8.588 -0.188 1
1 107 . 9 1 1 A 9 9 CYS HA H 9 3.630 4.438 -0.808 1
1 110 . 9 1 1 A 9 9 CYS C C 9 175.700 175.404 0.296 1
1 111 . 9 1 1 A 9 9 CYS CA C 9 60.300 60.575 -0.275 1
1 112 . 9 1 1 A 9 9 CYS CB C 9 26.700 27.124 -0.424 1
1 113 . 9 1 1 A 9 9 CYS N N 9 117.100 120.948 -3.848 1
1 114 . 9 1 1 A 10 10 GLY H H 10 8.950 9.274 -0.324 1
1 115 . 9 1 1 A 10 10 GLY HA2 H 10 3.790 3.797 -0.007 1
1 116 . 9 1 1 A 10 10 GLY HA3 H 10 4.350 3.934 0.416 1
1 117 . 9 1 1 A 10 10 GLY C C 10 174.600 174.569 0.031 1
1 118 . 9 1 1 A 10 10 GLY CA C 10 44.600 44.965 -0.365 1
1 119 . 9 1 1 A 10 10 GLY N N 10 114.200 113.484 0.716 1
1 120 . 9 1 1 A 11 11 GLN H H 11 7.750 7.710 0.040 1
1 121 . 9 1 1 A 11 11 GLN HA H 11 4.500 4.417 0.083 1
1 128 . 9 1 1 A 11 11 GLN C C 11 174.200 174.592 -0.392 1
1 129 . 9 1 1 A 11 11 GLN CA C 11 56.000 55.410 0.590 1
1 130 . 9 1 1 A 11 11 GLN CB C 11 29.400 29.867 -0.467 1
1 132 . 9 1 1 A 11 11 GLN N N 11 118.900 119.547 -0.647 1
1 134 . 9 1 1 A 12 12 THR H H 12 8.380 8.603 -0.223 1
1 135 . 9 1 1 A 12 12 THR HA H 12 5.330 5.190 0.140 1
1 140 . 9 1 1 A 12 12 THR C C 12 174.100 174.474 -0.374 1
1 141 . 9 1 1 A 12 12 THR CA C 12 62.100 62.009 0.091 1
1 142 . 9 1 1 A 12 12 THR CB C 12 69.600 70.458 -0.858 1
1 144 . 9 1 1 A 12 12 THR N N 12 116.600 117.218 -0.618 1
1 145 . 9 1 1 A 13 13 VAL H H 13 9.190 9.377 -0.187 1
1 146 . 9 1 1 A 13 13 VAL HA H 13 5.140 5.245 -0.105 1
1 154 . 9 1 1 A 13 13 VAL C C 13 173.200 173.499 -0.299 1
1 155 . 9 1 1 A 13 13 VAL CA C 13 57.300 58.983 -1.683 1
1 156 . 9 1 1 A 13 13 VAL CB C 13 35.100 35.951 -0.851 1
1 159 . 9 1 1 A 13 13 VAL N N 13 117.500 120.299 -2.799 1
1 160 . 9 1 1 A 14 14 LYS H H 14 9.000 9.119 -0.119 1
1 161 . 9 1 1 A 14 14 LYS HA H 14 5.350 5.160 0.190 1
1 170 . 9 1 1 A 14 14 LYS C C 14 176.900 175.789 1.111 1
1 171 . 9 1 1 A 14 14 LYS CA C 14 53.800 54.601 -0.801 1
1 172 . 9 1 1 A 14 14 LYS CB C 14 35.500 35.350 0.150 1
1 176 . 9 1 1 A 14 14 LYS N N 14 120.300 122.447 -2.147 1
1 177 . 9 1 1 A 15 15 VAL H H 15 8.620 8.686 -0.066 1
1 178 . 9 1 1 A 15 15 VAL HA H 15 3.880 4.085 -0.205 1
1 186 . 9 1 1 A 15 15 VAL C C 15 176.700 176.900 -0.200 1
1 187 . 9 1 1 A 15 15 VAL CA C 15 64.300 63.641 0.659 1
1 188 . 9 1 1 A 15 15 VAL CB C 15 31.500 31.925 -0.425 1
1 191 . 9 1 1 A 15 15 VAL N N 15 123.100 127.320 -4.220 1
1 192 . 9 1 1 A 16 16 VAL H H 16 9.580 9.179 0.401 1
1 193 . 9 1 1 A 16 16 VAL HA H 16 4.100 4.451 -0.351 1
1 201 . 9 1 1 A 16 16 VAL C C 16 175.300 176.168 -0.868 1
1 202 . 9 1 1 A 16 16 VAL CA C 16 63.400 62.250 1.150 1
1 203 . 9 1 1 A 16 16 VAL CB C 16 33.700 33.424 0.276 1
1 206 . 9 1 1 A 16 16 VAL N N 16 130.100 121.081 9.019 1
1 207 . 9 1 1 A 17 17 LYS H H 17 7.490 7.621 -0.131 1
1 208 . 9 1 1 A 17 17 LYS HA H 17 4.380 4.737 -0.357 1
1 217 . 9 1 1 A 17 17 LYS C C 17 172.900 175.167 -2.267 1
1 218 . 9 1 1 A 17 17 LYS CA C 17 56.200 54.858 1.342 1
1 219 . 9 1 1 A 17 17 LYS CB C 17 35.500 36.901 -1.401 1
1 223 . 9 1 1 A 17 17 LYS N N 17 116.800 120.041 -3.241 1
1 224 . 9 1 1 A 18 18 LEU H H 18 8.520 8.893 -0.373 1
1 225 . 9 1 1 A 18 18 LEU HA H 18 4.890 5.128 -0.238 1
1 235 . 9 1 1 A 18 18 LEU C C 18 175.600 175.982 -0.382 1
1 236 . 9 1 1 A 18 18 LEU CA C 18 53.800 53.399 0.401 1
1 237 . 9 1 1 A 18 18 LEU CB C 18 42.500 44.810 -2.310 1
1 241 . 9 1 1 A 18 18 LEU N N 18 124.100 121.948 2.152 1
1 242 . 9 1 1 A 19 19 HIS H H 19 8.790 9.084 -0.294 1
1 243 . 9 1 1 A 19 19 HIS HA H 19 4.620 4.758 -0.138 1
1 248 . 9 1 1 A 19 19 HIS C C 19 173.000 175.020 -2.020 1
1 249 . 9 1 1 A 19 19 HIS CA C 19 55.500 55.394 0.106 1
1 250 . 9 1 1 A 19 19 HIS CB C 19 32.800 31.471 1.329 1
1 253 . 9 1 1 A 19 19 HIS N N 19 122.700 123.263 -0.563 1
1 254 . 9 1 1 A 20 20 GLY H H 20 8.100 8.506 -0.406 1
1 255 . 9 1 1 A 20 20 GLY HA2 H 20 3.920 4.097 -0.177 1
1 256 . 9 1 1 A 20 20 GLY HA3 H 20 4.510 4.101 0.409 1
1 257 . 9 1 1 A 20 20 GLY C C 20 174.500 173.955 0.545 1
1 258 . 9 1 1 A 20 20 GLY CA C 20 44.200 43.905 0.295 1
1 259 . 9 1 1 A 20 20 GLY N N 20 103.400 108.930 -5.530 1
1 260 . 9 1 1 A 21 21 THR H H 21 7.750 8.408 -0.658 1
1 261 . 9 1 1 A 21 21 THR HA H 21 4.450 4.252 0.198 1
1 266 . 9 1 1 A 21 21 THR C C 21 175.400 175.737 -0.337 1
1 267 . 9 1 1 A 21 21 THR CA C 21 60.800 64.035 -3.235 1
1 268 . 9 1 1 A 21 21 THR CB C 21 70.900 68.321 2.579 1
1 270 . 9 1 1 A 21 21 THR N N 21 108.600 112.804 -4.204 1
1 271 . 9 1 1 A 22 22 GLY H H 22 8.780 7.579 1.201 1
1 272 . 9 1 1 A 22 22 GLY HA2 H 22 3.750 4.026 -0.276 1
1 273 . 9 1 1 A 22 22 GLY HA3 H 22 4.030 4.026 0.004 1
1 274 . 9 1 1 A 22 22 GLY C C 22 176.200 174.907 1.293 1
1 275 . 9 1 1 A 22 22 GLY CA C 22 47.300 46.054 1.246 1
1 276 . 9 1 1 A 22 22 GLY N N 22 108.600 108.698 -0.098 1
1 277 . 9 1 1 A 23 23 ALA H H 23 8.480 8.318 0.162 1
1 278 . 9 1 1 A 23 23 ALA HA H 23 4.080 4.049 0.031 1
1 282 . 9 1 1 A 23 23 ALA C C 23 180.100 179.660 0.440 1
1 283 . 9 1 1 A 23 23 ALA CA C 23 54.700 54.582 0.118 1
1 284 . 9 1 1 A 23 23 ALA CB C 23 18.400 18.435 -0.035 1
1 285 . 9 1 1 A 23 23 ALA N N 23 123.300 124.554 -1.254 1
1 286 . 9 1 1 A 24 24 LEU H H 24 7.830 8.164 -0.334 1
1 287 . 9 1 1 A 24 24 LEU HA H 24 4.120 4.106 0.014 1
1 297 . 9 1 1 A 24 24 LEU C C 24 178.600 178.642 -0.042 1
1 298 . 9 1 1 A 24 24 LEU CA C 24 57.800 57.690 0.110 1
1 299 . 9 1 1 A 24 24 LEU CB C 24 41.100 41.748 -0.648 1
1 303 . 9 1 1 A 24 24 LEU N N 24 120.400 120.707 -0.307 1
1 304 . 9 1 1 A 25 25 LYS H H 25 7.960 8.191 -0.231 1
1 305 . 9 1 1 A 25 25 LYS HA H 25 3.750 3.911 -0.161 1
1 314 . 9 1 1 A 25 25 LYS C C 25 178.300 179.087 -0.787 1
1 315 . 9 1 1 A 25 25 LYS CA C 25 60.400 60.379 0.021 1
1 316 . 9 1 1 A 25 25 LYS CB C 25 32.000 32.183 -0.183 1
1 320 . 9 1 1 A 25 25 LYS N N 25 118.000 118.962 -0.962 1
1 321 . 9 1 1 A 26 26 ARG H H 26 7.890 7.775 0.115 1
1 322 . 9 1 1 A 26 26 ARG HA H 26 3.970 3.903 0.067 1
1 329 . 9 1 1 A 26 26 ARG C C 26 177.700 178.771 -1.071 1
1 330 . 9 1 1 A 26 26 ARG CA C 26 58.700 59.541 -0.841 1
1 331 . 9 1 1 A 26 26 ARG CB C 26 30.000 29.996 0.004 1
1 334 . 9 1 1 A 26 26 ARG N N 26 117.100 120.076 -2.976 1
1 335 . 9 1 1 A 27 27 ARG H H 27 7.660 7.948 -0.288 1
1 336 . 9 1 1 A 27 27 ARG HA H 27 4.100 4.061 0.039 1
1 343 . 9 1 1 A 27 27 ARG C C 27 179.000 178.919 0.081 1
1 344 . 9 1 1 A 27 27 ARG CA C 27 59.100 58.843 0.257 1
1 345 . 9 1 1 A 27 27 ARG CB C 27 29.800 29.872 -0.072 1
1 348 . 9 1 1 A 27 27 ARG N N 27 118.600 119.090 -0.490 1
1 349 . 9 1 1 A 28 28 ILE H H 28 7.970 8.230 -0.260 1
1 350 . 9 1 1 A 28 28 ILE HA H 28 3.740 3.673 0.067 1
1 360 . 9 1 1 A 28 28 ILE C C 28 178.700 178.313 0.387 1
1 361 . 9 1 1 A 28 28 ILE CA C 28 64.800 65.120 -0.320 1
1 362 . 9 1 1 A 28 28 ILE CB C 28 38.100 37.598 0.502 1
1 366 . 9 1 1 A 28 28 ILE N N 28 119.400 119.723 -0.323 1
1 367 . 9 1 1 A 29 29 MET H H 29 8.420 8.432 -0.012 1
1 368 . 9 1 1 A 29 29 MET HA H 29 4.370 4.357 0.013 1
1 376 . 9 1 1 A 29 29 MET C C 29 181.400 177.955 3.445 1
1 377 . 9 1 1 A 29 29 MET CA C 29 59.100 58.861 0.239 1
1 378 . 9 1 1 A 29 29 MET CB C 29 32.800 32.473 0.327 1
1 381 . 9 1 1 A 29 29 MET N N 29 119.900 118.752 1.148 1
1 382 . 9 1 1 A 30 30 ASP H H 30 8.650 8.692 -0.042 1
1 383 . 9 1 1 A 30 30 ASP HA H 30 4.440 4.362 0.078 1
1 386 . 9 1 1 A 30 30 ASP C C 30 178.200 178.187 0.013 1
1 387 . 9 1 1 A 30 30 ASP CA C 30 56.700 57.526 -0.826 1
1 388 . 9 1 1 A 30 30 ASP CB C 30 39.900 41.657 -1.757 1
1 389 . 9 1 1 A 30 30 ASP N N 30 121.800 120.578 1.222 1
1 390 . 9 1 1 A 31 31 MET H H 31 7.570 7.610 -0.040 1
1 391 . 9 1 1 A 31 31 MET HA H 31 4.290 4.424 -0.134 1
1 399 . 9 1 1 A 31 31 MET C C 31 175.700 176.214 -0.514 1
1 400 . 9 1 1 A 31 31 MET CA C 31 56.800 56.315 0.485 1
1 401 . 9 1 1 A 31 31 MET CB C 31 33.300 33.123 0.177 1
1 404 . 9 1 1 A 31 31 MET N N 31 117.500 118.068 -0.568 1
1 405 . 9 1 1 A 32 32 GLY H H 32 7.990 7.843 0.147 1
1 406 . 9 1 1 A 32 32 GLY HA2 H 32 4.270 4.068 0.202 1
1 407 . 9 1 1 A 32 32 GLY HA3 H 32 3.630 4.078 -0.448 1
1 408 . 9 1 1 A 32 32 GLY C C 32 173.600 174.423 -0.823 1
1 409 . 9 1 1 A 32 32 GLY CA C 32 44.200 45.133 -0.933 1
1 410 . 9 1 1 A 32 32 GLY N N 32 104.400 107.058 -2.658 1
1 411 . 9 1 1 A 33 33 ILE H H 33 7.140 7.548 -0.408 1
1 412 . 9 1 1 A 33 33 ILE HA H 33 4.120 4.069 0.051 1
1 422 . 9 1 1 A 33 33 ILE C C 33 172.400 175.266 -2.866 1
1 423 . 9 1 1 A 33 33 ILE CA C 33 61.700 61.217 0.483 1
1 424 . 9 1 1 A 33 33 ILE CB C 33 37.200 37.134 0.066 1
1 428 . 9 1 1 A 33 33 ILE N N 33 120.800 122.068 -1.268 1
1 429 . 9 1 1 A 34 34 THR H H 34 6.930 8.867 -1.937 1
1 430 . 9 1 1 A 34 34 THR HA H 34 4.590 5.157 -0.567 1
1 435 . 9 1 1 A 34 34 THR C C 34 174.400 173.477 0.923 1
1 436 . 9 1 1 A 34 34 THR CA C 34 58.300 59.372 -1.072 1
1 437 . 9 1 1 A 34 34 THR CB C 34 72.200 71.689 0.511 1
1 439 . 9 1 1 A 34 34 THR N N 34 113.300 117.434 -4.134 1
1 440 . 9 1 1 A 35 35 ARG H H 35 8.760 8.589 0.171 1
1 441 . 9 1 1 A 35 35 ARG HA H 35 3.520 4.130 -0.610 1
1 448 . 9 1 1 A 35 35 ARG C C 35 176.800 176.907 -0.107 1
1 449 . 9 1 1 A 35 35 ARG CA C 35 58.700 58.056 0.644 1
1 450 . 9 1 1 A 35 35 ARG CB C 35 29.700 29.594 0.106 1
1 453 . 9 1 1 A 35 35 ARG N N 35 121.300 121.786 -0.486 1
1 454 . 9 1 1 A 36 36 GLY H H 36 8.950 9.225 -0.275 1
1 455 . 9 1 1 A 36 36 GLY HA2 H 36 4.460 3.990 0.470 1
1 456 . 9 1 1 A 36 36 GLY HA3 H 36 3.560 3.993 -0.433 1
1 457 . 9 1 1 A 36 36 GLY C C 36 173.900 174.320 -0.420 1
1 458 . 9 1 1 A 36 36 GLY CA C 36 44.700 45.043 -0.343 1
1 459 . 9 1 1 A 36 36 GLY N N 36 114.200 112.079 2.121 1
1 460 . 9 1 1 A 37 37 CYS H H 37 7.950 7.628 0.322 1
1 461 . 9 1 1 A 37 37 CYS HA H 37 4.550 4.649 -0.099 1
1 464 . 9 1 1 A 37 37 CYS C C 37 172.900 174.581 -1.681 1
1 465 . 9 1 1 A 37 37 CYS CA C 37 59.200 59.311 -0.111 1
1 466 . 9 1 1 A 37 37 CYS CB C 37 28.000 28.991 -0.991 1
1 467 . 9 1 1 A 37 37 CYS N N 37 118.400 119.508 -1.108 1
1 468 . 9 1 1 A 38 38 GLU H H 38 8.540 8.529 0.011 1
1 469 . 9 1 1 A 38 38 GLU HA H 38 5.160 4.716 0.444 1
1 474 . 9 1 1 A 38 38 GLU C C 38 176.000 175.731 0.269 1
1 475 . 9 1 1 A 38 38 GLU CA C 38 55.300 56.253 -0.953 1
1 476 . 9 1 1 A 38 38 GLU CB C 38 31.500 30.572 0.928 1
1 478 . 9 1 1 A 38 38 GLU N N 38 123.100 123.259 -0.159 1
1 479 . 9 1 1 A 39 39 ILE H H 39 9.360 9.773 -0.413 1
1 480 . 9 1 1 A 39 39 ILE HA H 39 4.600 4.671 -0.071 1
1 490 . 9 1 1 A 39 39 ILE C C 39 173.700 174.286 -0.586 1
1 491 . 9 1 1 A 39 39 ILE CA C 39 60.500 60.149 0.351 1
1 492 . 9 1 1 A 39 39 ILE CB C 39 41.300 39.120 2.180 1
1 496 . 9 1 1 A 39 39 ILE N N 39 124.000 126.023 -2.023 1
1 497 . 9 1 1 A 40 40 TYR H H 40 8.540 8.645 -0.105 1
1 498 . 9 1 1 A 40 40 TYR HA H 40 5.340 4.814 0.526 1
1 505 . 9 1 1 A 40 40 TYR C C 40 175.000 174.182 0.818 1
1 506 . 9 1 1 A 40 40 TYR CA C 40 55.900 56.682 -0.782 1
1 507 . 9 1 1 A 40 40 TYR CB C 40 40.900 39.670 1.230 1
1 510 . 9 1 1 A 40 40 TYR N N 40 127.000 128.706 -1.706 1
1 511 . 9 1 1 A 41 41 ILE H H 41 7.850 8.721 -0.871 1
1 512 . 9 1 1 A 41 41 ILE HA H 41 3.910 4.138 -0.228 1
1 522 . 9 1 1 A 41 41 ILE C C 41 173.600 176.494 -2.894 1
1 523 . 9 1 1 A 41 41 ILE CA C 41 61.500 60.906 0.594 1
1 524 . 9 1 1 A 41 41 ILE CB C 41 35.800 37.053 -1.253 1
1 528 . 9 1 1 A 41 41 ILE N N 41 127.800 128.977 -1.177 1
1 529 . 9 1 1 A 42 42 ARG H H 42 8.460 8.956 -0.496 1
1 530 . 9 1 1 A 42 42 ARG HA H 42 4.110 4.559 -0.449 1
1 537 . 9 1 1 A 42 42 ARG C C 42 176.500 176.072 0.428 1
1 538 . 9 1 1 A 42 42 ARG CA C 42 57.700 56.901 0.799 1
1 539 . 9 1 1 A 42 42 ARG CB C 42 31.400 32.008 -0.608 1
1 542 . 9 1 1 A 42 42 ARG N N 42 128.100 124.688 3.412 1
1 543 . 9 1 1 A 43 43 LYS H H 43 7.920 7.283 0.637 1
1 544 . 9 1 1 A 43 43 LYS HA H 43 4.530 4.870 -0.340 1
1 553 . 9 1 1 A 43 43 LYS C C 43 173.100 173.912 -0.812 1
1 554 . 9 1 1 A 43 43 LYS CA C 43 56.400 55.848 0.552 1
1 555 . 9 1 1 A 43 43 LYS CB C 43 36.100 35.975 0.125 1
1 559 . 9 1 1 A 43 43 LYS N N 43 116.400 119.177 -2.777 1
1 560 . 9 1 1 A 44 44 VAL H H 44 8.450 8.995 -0.545 1
1 561 . 9 1 1 A 44 44 VAL HA H 44 4.260 4.638 -0.378 1
1 569 . 9 1 1 A 44 44 VAL C C 44 175.000 174.985 0.015 1
1 570 . 9 1 1 A 44 44 VAL CA C 44 61.500 60.672 0.828 1
1 571 . 9 1 1 A 44 44 VAL CB C 44 34.200 34.746 -0.546 1
1 574 . 9 1 1 A 44 44 VAL N N 44 123.900 126.320 -2.420 1
1 575 . 9 1 1 A 45 45 ALA H H 45 7.550 8.128 -0.578 1
1 576 . 9 1 1 A 45 45 ALA HA H 45 4.480 4.492 -0.012 1
1 580 . 9 1 1 A 45 45 ALA CA C 45 51.500 50.561 0.939 1
1 581 . 9 1 1 A 45 45 ALA CB C 45 17.600 17.865 -0.265 1
1 582 . 9 1 1 A 45 45 ALA N N 45 129.600 130.330 -0.730 1
1 583 . 9 1 1 A 46 46 PRO HA H 46 4.290 4.366 -0.076 1
1 590 . 9 1 1 A 46 46 PRO C C 46 177.800 177.022 0.778 1
1 591 . 9 1 1 A 46 46 PRO CA C 46 65.500 64.997 0.503 1
1 592 . 9 1 1 A 46 46 PRO CB C 46 31.600 31.944 -0.344 1
1 595 . 9 1 1 A 47 47 LEU H H 47 8.330 7.567 0.763 1
1 596 . 9 1 1 A 47 47 LEU HA H 47 4.330 4.326 0.004 1
1 606 . 9 1 1 A 47 47 LEU C C 47 178.000 178.019 -0.019 1
1 607 . 9 1 1 A 47 47 LEU CA C 47 55.300 54.042 1.258 1
1 608 . 9 1 1 A 47 47 LEU CB C 47 40.300 41.615 -1.315 1
1 612 . 9 1 1 A 47 47 LEU N N 47 115.100 114.435 0.665 1
1 613 . 9 1 1 A 48 48 GLY H H 48 8.420 8.649 -0.229 1
1 614 . 9 1 1 A 48 48 GLY HA2 H 48 4.090 3.962 0.128 1
1 615 . 9 1 1 A 48 48 GLY HA3 H 48 3.490 3.963 -0.473 1
1 616 . 9 1 1 A 48 48 GLY C C 48 171.900 173.203 -1.303 1
1 617 . 9 1 1 A 48 48 GLY CA C 48 45.500 45.173 0.327 1
1 618 . 9 1 1 A 48 48 GLY N N 48 107.400 109.925 -2.525 1
1 619 . 9 1 1 A 49 49 ASP H H 49 6.850 7.905 -1.055 1
1 620 . 9 1 1 A 49 49 ASP HA H 49 5.050 4.984 0.066 1
1 623 . 9 1 1 A 49 49 ASP CA C 49 50.200 50.722 -0.522 1
1 624 . 9 1 1 A 49 49 ASP CB C 49 45.300 42.995 2.305 1
1 625 . 9 1 1 A 49 49 ASP N N 49 116.000 121.976 -5.976 1
1 626 . 9 1 1 A 50 50 PRO HA H 50 5.450 4.724 0.726 1
1 633 . 9 1 1 A 50 50 PRO C C 50 174.900 175.489 -0.589 1
1 634 . 9 1 1 A 50 50 PRO CA C 50 63.900 62.269 1.631 1
1 635 . 9 1 1 A 50 50 PRO CB C 50 35.600 33.053 2.547 1
1 638 . 9 1 1 A 51 51 ILE H H 51 8.980 8.428 0.552 1
1 639 . 9 1 1 A 51 51 ILE HA H 51 4.400 4.701 -0.301 1
1 649 . 9 1 1 A 51 51 ILE C C 51 174.500 174.586 -0.086 1
1 650 . 9 1 1 A 51 51 ILE CA C 51 61.100 59.755 1.345 1
1 651 . 9 1 1 A 51 51 ILE CB C 51 40.900 39.590 1.310 1
1 655 . 9 1 1 A 51 51 ILE N N 51 118.100 120.105 -2.005 1
1 656 . 9 1 1 A 52 52 GLN H H 52 9.060 9.428 -0.368 1
1 657 . 9 1 1 A 52 52 GLN HA H 52 5.160 5.079 0.081 1
1 664 . 9 1 1 A 52 52 GLN C C 52 175.800 175.379 0.421 1
1 665 . 9 1 1 A 52 52 GLN CA C 52 54.900 54.560 0.340 1
1 666 . 9 1 1 A 52 52 GLN CB C 52 29.600 30.764 -1.164 1
1 668 . 9 1 1 A 52 52 GLN N N 52 126.100 126.922 -0.822 1
1 670 . 9 1 1 A 53 53 ILE H H 53 9.080 9.169 -0.089 1
1 671 . 9 1 1 A 53 53 ILE HA H 53 5.440 5.090 0.350 1
1 681 . 9 1 1 A 53 53 ILE C C 53 174.000 174.098 -0.098 1
1 682 . 9 1 1 A 53 53 ILE CA C 53 58.700 59.014 -0.314 1
1 683 . 9 1 1 A 53 53 ILE CB C 53 41.500 41.181 0.319 1
1 687 . 9 1 1 A 53 53 ILE N N 53 117.600 121.562 -3.962 1
1 688 . 9 1 1 A 54 54 ASN H H 54 9.360 9.029 0.331 1
1 689 . 9 1 1 A 54 54 ASN HA H 54 5.840 5.631 0.209 1
1 694 . 9 1 1 A 54 54 ASN C C 54 174.800 174.374 0.426 1
1 695 . 9 1 1 A 54 54 ASN CA C 54 52.300 52.801 -0.501 1
1 696 . 9 1 1 A 54 54 ASN CB C 54 42.200 39.582 2.618 1
1 697 . 9 1 1 A 54 54 ASN N N 54 120.100 121.899 -1.799 1
1 699 . 9 1 1 A 55 55 VAL H H 55 8.900 8.961 -0.061 1
1 700 . 9 1 1 A 55 55 VAL HA H 55 4.480 4.572 -0.092 1
1 708 . 9 1 1 A 55 55 VAL C C 55 174.400 175.820 -1.420 1
1 709 . 9 1 1 A 55 55 VAL CA C 55 60.800 61.182 -0.382 1
1 710 . 9 1 1 A 55 55 VAL CB C 55 34.300 34.402 -0.102 1
1 713 . 9 1 1 A 55 55 VAL N N 55 124.400 124.031 0.369 1
1 714 . 9 1 1 A 56 56 ARG H H 56 9.680 9.545 0.135 1
1 715 . 9 1 1 A 56 56 ARG HA H 56 3.880 3.985 -0.105 1
1 722 . 9 1 1 A 56 56 ARG C C 56 175.000 176.124 -1.124 1
1 723 . 9 1 1 A 56 56 ARG CA C 56 57.200 57.254 -0.054 1
1 724 . 9 1 1 A 56 56 ARG CB C 56 28.400 28.102 0.298 1
1 727 . 9 1 1 A 56 56 ARG N N 56 125.100 128.040 -2.940 1
1 728 . 9 1 1 A 57 57 GLY H H 57 8.130 8.394 -0.264 1
1 729 . 9 1 1 A 57 57 GLY HA2 H 57 4.130 3.586 0.544 1
1 730 . 9 1 1 A 57 57 GLY HA3 H 57 3.610 3.717 -0.107 1
1 731 . 9 1 1 A 57 57 GLY C C 57 174.300 173.598 0.702 1
1 732 . 9 1 1 A 57 57 GLY CA C 57 45.300 45.109 0.191 1
1 733 . 9 1 1 A 57 57 GLY N N 57 103.500 105.579 -2.079 1
1 734 . 9 1 1 A 58 58 TYR H H 58 8.180 7.982 0.198 1
1 735 . 9 1 1 A 58 58 TYR HA H 58 4.750 4.591 0.159 1
1 742 . 9 1 1 A 58 58 TYR C C 58 174.500 175.107 -0.607 1
1 743 . 9 1 1 A 58 58 TYR CA C 58 56.600 57.892 -1.292 1
1 744 . 9 1 1 A 58 58 TYR CB C 58 39.500 40.165 -0.665 1
1 747 . 9 1 1 A 58 58 TYR N N 58 121.300 120.129 1.171 1
1 748 . 9 1 1 A 59 59 GLU H H 59 8.480 8.985 -0.505 1
1 749 . 9 1 1 A 59 59 GLU HA H 59 5.120 5.095 0.025 1
1 754 . 9 1 1 A 59 59 GLU C C 59 178.400 175.431 2.969 1
1 755 . 9 1 1 A 59 59 GLU CA C 59 55.200 55.520 -0.320 1
1 756 . 9 1 1 A 59 59 GLU CB C 59 30.400 30.848 -0.448 1
1 758 . 9 1 1 A 59 59 GLU N N 59 122.400 120.621 1.779 1
1 759 . 9 1 1 A 60 60 LEU H H 60 8.900 9.960 -1.060 1
1 760 . 9 1 1 A 60 60 LEU HA H 60 4.830 5.080 -0.250 1
1 770 . 9 1 1 A 60 60 LEU C C 60 175.100 175.369 -0.269 1
1 771 . 9 1 1 A 60 60 LEU CA C 60 53.800 53.488 0.312 1
1 772 . 9 1 1 A 60 60 LEU CB C 60 46.200 43.280 2.920 1
1 776 . 9 1 1 A 60 60 LEU N N 60 124.600 127.465 -2.865 1
1 777 . 9 1 1 A 61 61 SER H H 61 8.390 8.864 -0.474 1
1 778 . 9 1 1 A 61 61 SER HA H 61 5.150 5.092 0.058 1
1 781 . 9 1 1 A 61 61 SER C C 61 173.300 173.061 0.239 1
1 782 . 9 1 1 A 61 61 SER CA C 61 56.600 56.974 -0.374 1
1 783 . 9 1 1 A 61 61 SER CB C 61 63.900 64.252 -0.352 1
1 784 . 9 1 1 A 61 61 SER N N 61 116.100 119.098 -2.998 1
1 785 . 9 1 1 A 62 62 LEU H H 62 9.190 9.113 0.077 1
1 786 . 9 1 1 A 62 62 LEU HA H 62 4.700 5.069 -0.369 1
1 796 . 9 1 1 A 62 62 LEU C C 62 175.800 175.927 -0.127 1
1 797 . 9 1 1 A 62 62 LEU CA C 62 53.000 53.460 -0.460 1
1 798 . 9 1 1 A 62 62 LEU CB C 62 45.900 44.776 1.124 1
1 802 . 9 1 1 A 62 62 LEU N N 62 126.800 127.856 -1.056 1
1 803 . 9 1 1 A 63 63 ARG H H 63 8.670 8.475 0.195 1
1 804 . 9 1 1 A 63 63 ARG HA H 63 4.640 4.575 0.065 1
1 811 . 9 1 1 A 63 63 ARG C C 63 176.000 177.257 -1.257 1
1 812 . 9 1 1 A 63 63 ARG CA C 63 53.700 57.018 -3.318 1
1 813 . 9 1 1 A 63 63 ARG CB C 63 29.100 30.989 -1.889 1
1 816 . 9 1 1 A 63 63 ARG N N 63 120.600 125.987 -5.387 1
1 817 . 9 1 1 A 64 64 LYS H H 64 8.900 9.060 -0.160 1
1 818 . 9 1 1 A 64 64 LYS HA H 64 3.800 4.024 -0.224 1
1 827 . 9 1 1 A 64 64 LYS C C 64 177.100 178.589 -1.489 1
1 828 . 9 1 1 A 64 64 LYS CA C 64 60.200 59.048 1.152 1
1 829 . 9 1 1 A 64 64 LYS CB C 64 32.300 31.941 0.359 1
1 833 . 9 1 1 A 64 64 LYS N N 64 124.600 125.190 -0.590 1
1 834 . 9 1 1 A 65 65 SER H H 65 8.380 7.889 0.491 1
1 835 . 9 1 1 A 65 65 SER HA H 65 4.130 4.152 -0.022 1
1 838 . 9 1 1 A 65 65 SER C C 65 176.000 177.086 -1.086 1
1 839 . 9 1 1 A 65 65 SER CA C 65 60.300 61.472 -1.172 1
1 840 . 9 1 1 A 65 65 SER CB C 65 61.900 63.078 -1.178 1
1 841 . 9 1 1 A 65 65 SER N N 65 110.900 114.970 -4.070 1
1 842 . 9 1 1 A 66 66 ALA H H 66 6.910 7.839 -0.929 1
1 843 . 9 1 1 A 66 66 ALA HA H 66 4.290 4.150 0.140 1
1 847 . 9 1 1 A 66 66 ALA C C 66 178.800 179.375 -0.575 1
1 848 . 9 1 1 A 66 66 ALA CA C 66 54.000 54.834 -0.834 1
1 849 . 9 1 1 A 66 66 ALA CB C 66 18.800 18.347 0.453 1
1 850 . 9 1 1 A 66 66 ALA N N 66 122.600 122.464 0.136 1
1 851 . 9 1 1 A 67 67 ALA H H 67 8.050 7.935 0.115 1
1 852 . 9 1 1 A 67 67 ALA HA H 67 3.850 3.982 -0.132 1
1 856 . 9 1 1 A 67 67 ALA C C 67 178.800 179.737 -0.937 1
1 857 . 9 1 1 A 67 67 ALA CA C 67 54.900 55.144 -0.244 1
1 858 . 9 1 1 A 67 67 ALA CB C 67 18.700 18.540 0.160 1
1 859 . 9 1 1 A 67 67 ALA N N 67 118.800 119.883 -1.083 1
1 860 . 9 1 1 A 68 68 GLU H H 68 7.910 8.552 -0.642 1
1 861 . 9 1 1 A 68 68 GLU HA H 68 4.150 5.053 -0.903 1
1 866 . 9 1 1 A 68 68 GLU C C 68 175.900 176.700 -0.800 1
1 867 . 9 1 1 A 68 68 GLU CA C 68 57.200 57.687 -0.487 1
1 868 . 9 1 1 A 68 68 GLU CB C 68 29.800 28.528 1.272 1
1 870 . 9 1 1 A 68 68 GLU N N 68 113.100 115.329 -2.229 1
1 871 . 9 1 1 A 69 69 MET H H 69 7.360 8.195 -0.835 1
1 872 . 9 1 1 A 69 69 MET HA H 69 4.590 4.511 0.079 1
1 880 . 9 1 1 A 69 69 MET C C 69 174.400 175.714 -1.314 1
1 881 . 9 1 1 A 69 69 MET CA C 69 53.800 54.778 -0.978 1
1 882 . 9 1 1 A 69 69 MET CB C 69 32.400 33.622 -1.222 1
1 885 . 9 1 1 A 69 69 MET N N 69 114.100 118.153 -4.053 1
1 886 . 9 1 1 A 70 70 ILE H H 70 7.310 7.375 -0.065 1
1 887 . 9 1 1 A 70 70 ILE HA H 70 4.260 4.429 -0.169 1
1 897 . 9 1 1 A 70 70 ILE C C 70 174.100 174.711 -0.611 1
1 898 . 9 1 1 A 70 70 ILE CA C 70 60.900 60.244 0.656 1
1 899 . 9 1 1 A 70 70 ILE CB C 70 38.700 39.060 -0.360 1
1 903 . 9 1 1 A 70 70 ILE N N 70 120.300 121.192 -0.892 1
1 904 . 9 1 1 A 71 71 GLU H H 71 8.910 9.182 -0.272 1
1 905 . 9 1 1 A 71 71 GLU HA H 71 4.750 5.033 -0.283 1
1 910 . 9 1 1 A 71 71 GLU C C 71 177.100 176.220 0.880 1
1 911 . 9 1 1 A 71 71 GLU CA C 71 55.900 55.479 0.421 1
1 912 . 9 1 1 A 71 71 GLU CB C 71 30.600 31.445 -0.845 1
1 914 . 9 1 1 A 71 71 GLU N N 71 129.500 128.000 1.500 1
1 915 . 9 1 1 A 72 72 VAL H H 72 8.880 9.226 -0.346 1
1 916 . 9 1 1 A 72 72 VAL HA H 72 5.520 5.311 0.209 1
1 924 . 9 1 1 A 72 72 VAL C C 72 173.200 173.759 -0.559 1
1 925 . 9 1 1 A 72 72 VAL CA C 72 58.500 58.984 -0.484 1
1 926 . 9 1 1 A 72 72 VAL CB C 72 36.200 36.387 -0.187 1
1 929 . 9 1 1 A 72 72 VAL N N 72 119.400 120.437 -1.037 1
1 930 . 9 1 1 A 73 73 GLU H H 73 8.720 8.820 -0.100 1
1 931 . 9 1 1 A 73 73 GLU HA H 73 4.750 4.837 -0.087 1
1 936 . 9 1 1 A 73 73 GLU C C 73 175.300 175.112 0.188 1
1 937 . 9 1 1 A 73 73 GLU CA C 73 54.000 54.582 -0.582 1
1 938 . 9 1 1 A 73 73 GLU CB C 73 33.300 33.627 -0.327 1
1 940 . 9 1 1 A 73 73 GLU N N 73 116.600 121.274 -4.674 1
1 941 . 9 1 1 A 74 74 LEU H H 74 8.780 7.940 0.840 1
1 942 . 9 1 1 A 74 74 LEU HA H 74 4.330 4.447 -0.117 1
1 952 . 9 1 1 A 74 74 LEU C C 74 176.400 175.767 0.633 1
1 953 . 9 1 1 A 74 74 LEU CA C 74 55.400 55.204 0.196 1
1 954 . 9 1 1 A 74 74 LEU CB C 74 42.600 42.209 0.391 1
1 958 . 9 1 1 A 74 74 LEU N N 74 124.100 127.033 -2.933 1
1 959 . 9 1 1 A 75 75 GLU H H 75 8.450 8.711 -0.261 1
1 960 . 9 1 1 A 75 75 GLU HA H 75 4.350 4.374 -0.024 1
1 965 . 9 1 1 A 75 75 GLU C C 75 175.700 175.708 -0.008 1
1 966 . 9 1 1 A 75 75 GLU CA C 75 55.800 56.480 -0.680 1
1 967 . 9 1 1 A 75 75 GLU CB C 75 30.500 30.105 0.395 1
1 969 . 9 1 1 A 75 75 GLU N N 75 123.500 127.138 -3.638 1
1 970 . 9 1 1 A 76 76 HIS H H 76 8.500 7.680 0.820 1
1 971 . 9 1 1 A 76 76 HIS HA H 76 4.590 4.496 0.094 1
1 976 . 9 1 1 A 76 76 HIS C C 76 173.800 175.026 -1.226 1
1 977 . 9 1 1 A 76 76 HIS CA C 76 55.700 57.000 -1.300 1
1 978 . 9 1 1 A 76 76 HIS CB C 76 30.200 29.951 0.249 1
1 981 . 9 1 1 A 76 76 HIS N N 76 120.800 124.880 -4.080 1
1 982 . 9 1 1 A 77 77 HIS H H 77 8.100 8.509 -0.409 1
1 983 . 9 1 1 A 77 77 HIS HA H 77 4.610 5.210 -0.600 1
1 988 . 9 1 1 A 77 77 HIS C C 77 180.000 174.577 5.423 1
1 989 . 9 1 1 A 77 77 HIS CA C 77 56.400 54.121 2.279 1
1 990 . 9 1 1 A 77 77 HIS CB C 77 29.900 30.345 -0.445 1
1 993 . 9 1 1 A 77 77 HIS N N 77 125.100 120.497 4.603 1
1 994 . 9 1 1 A 78 78 HIS H H 78 8.250 9.047 -0.797 1
1 995 . 9 1 1 A 78 78 HIS HA H 78 4.620 4.739 -0.119 1
1 1000 . 9 1 1 A 78 78 HIS C C 78 180.000 175.277 4.723 1
1 1001 . 9 1 1 A 78 78 HIS CA C 78 56.400 57.837 -1.437 1
1 1002 . 9 1 1 A 78 78 HIS CB C 78 29.900 31.992 -2.092 1
1 1005 . 9 1 1 A 78 78 HIS N N 78 119.400 123.278 -3.878 1
1 1006 . 9 1 1 A 79 79 HIS H H 79 8.250 8.244 0.006 1
1 1007 . 9 1 1 A 79 79 HIS HA H 79 4.620 4.138 0.482 1
1 1012 . 9 1 1 A 79 79 HIS C C 79 180.000 174.127 5.873 1
1 1013 . 9 1 1 A 79 79 HIS CA C 79 56.400 57.128 -0.728 1
1 1014 . 9 1 1 A 79 79 HIS CB C 79 29.900 28.424 1.476 1
1 1017 . 9 1 1 A 79 79 HIS N N 79 119.400 117.877 1.523 1
1 1018 . 9 1 1 A 80 80 HIS H H 80 8.250 7.835 0.415 1
1 1019 . 9 1 1 A 80 80 HIS HA H 80 4.620 4.833 -0.213 1
1 1024 . 9 1 1 A 80 80 HIS C C 80 180.000 172.879 7.121 1
1 1025 . 9 1 1 A 80 80 HIS CA C 80 56.400 56.203 0.197 1
1 1026 . 9 1 1 A 80 80 HIS CB C 80 29.900 32.881 -2.981 1
1 1029 . 9 1 1 A 80 80 HIS N N 80 119.400 117.660 1.740 1
1 16 . 10 1 1 A 2 2 PHE H H 2 9.360 9.313 0.047 1
1 17 . 10 1 1 A 2 2 PHE HA H 2 4.960 5.325 -0.365 1
1 25 . 10 1 1 A 2 2 PHE C C 2 173.300 174.119 -0.819 1
1 26 . 10 1 1 A 2 2 PHE CA C 2 56.400 55.424 0.976 1
1 27 . 10 1 1 A 2 2 PHE CB C 2 38.500 41.116 -2.616 1
1 31 . 10 1 1 A 2 2 PHE N N 2 127.300 128.163 -0.863 1
1 32 . 10 1 1 A 3 3 SER H H 3 9.150 8.768 0.382 1
1 33 . 10 1 1 A 3 3 SER HA H 3 5.590 4.824 0.766 1
1 36 . 10 1 1 A 3 3 SER C C 3 176.100 175.296 0.804 1
1 37 . 10 1 1 A 3 3 SER CA C 3 56.500 57.728 -1.228 1
1 38 . 10 1 1 A 3 3 SER CB C 3 68.100 64.211 3.889 1
1 39 . 10 1 1 A 3 3 SER N N 3 124.000 123.351 0.649 1
1 40 . 10 1 1 A 4 4 LEU H H 4 8.540 8.675 -0.135 1
1 41 . 10 1 1 A 4 4 LEU HA H 4 3.770 4.052 -0.282 1
1 51 . 10 1 1 A 4 4 LEU C C 4 177.200 177.742 -0.542 1
1 52 . 10 1 1 A 4 4 LEU CA C 4 57.300 57.988 -0.688 1
1 53 . 10 1 1 A 4 4 LEU CB C 4 41.600 41.735 -0.135 1
1 57 . 10 1 1 A 4 4 LEU N N 4 120.800 127.887 -7.087 1
1 58 . 10 1 1 A 5 5 ARG H H 5 7.150 8.054 -0.904 1
1 59 . 10 1 1 A 5 5 ARG HA H 5 3.830 3.832 -0.002 1
1 66 . 10 1 1 A 5 5 ARG C C 5 175.900 177.667 -1.767 1
1 67 . 10 1 1 A 5 5 ARG CA C 5 57.300 59.403 -2.103 1
1 68 . 10 1 1 A 5 5 ARG CB C 5 29.400 29.766 -0.366 1
1 71 . 10 1 1 A 5 5 ARG N N 5 115.100 119.117 -4.017 1
1 72 . 10 1 1 A 6 6 ASP H H 6 7.600 7.648 -0.048 1
1 73 . 10 1 1 A 6 6 ASP HA H 6 4.490 4.523 -0.033 1
1 76 . 10 1 1 A 6 6 ASP C C 6 175.700 175.748 -0.048 1
1 77 . 10 1 1 A 6 6 ASP CA C 6 54.700 54.419 0.281 1
1 78 . 10 1 1 A 6 6 ASP CB C 6 42.000 40.947 1.053 1
1 79 . 10 1 1 A 6 6 ASP N N 6 117.000 116.420 0.580 1
1 80 . 10 1 1 A 7 7 ALA H H 7 6.990 7.272 -0.282 1
1 81 . 10 1 1 A 7 7 ALA HA H 7 4.390 4.439 -0.049 1
1 85 . 10 1 1 A 7 7 ALA C C 7 175.300 177.242 -1.942 1
1 86 . 10 1 1 A 7 7 ALA CA C 7 51.600 52.373 -0.773 1
1 87 . 10 1 1 A 7 7 ALA CB C 7 19.500 19.567 -0.067 1
1 88 . 10 1 1 A 7 7 ALA N N 7 122.200 122.842 -0.642 1
1 89 . 10 1 1 A 8 8 LYS H H 8 8.270 8.918 -0.648 1
1 90 . 10 1 1 A 8 8 LYS HA H 8 4.480 4.736 -0.256 1
1 99 . 10 1 1 A 8 8 LYS C C 8 175.600 176.089 -0.489 1
1 100 . 10 1 1 A 8 8 LYS CA C 8 53.800 54.500 -0.700 1
1 101 . 10 1 1 A 8 8 LYS CB C 8 34.600 34.414 0.186 1
1 105 . 10 1 1 A 8 8 LYS N N 8 118.500 121.120 -2.620 1
1 106 . 10 1 1 A 9 9 CYS H H 9 8.400 8.615 -0.215 1
1 107 . 10 1 1 A 9 9 CYS HA H 9 3.630 4.255 -0.625 1
1 110 . 10 1 1 A 9 9 CYS C C 9 175.700 175.333 0.367 1
1 111 . 10 1 1 A 9 9 CYS CA C 9 60.300 60.640 -0.340 1
1 112 . 10 1 1 A 9 9 CYS CB C 9 26.700 27.150 -0.450 1
1 113 . 10 1 1 A 9 9 CYS N N 9 117.100 121.333 -4.233 1
1 114 . 10 1 1 A 10 10 GLY H H 10 8.950 8.985 -0.035 1
1 115 . 10 1 1 A 10 10 GLY HA2 H 10 3.790 3.821 -0.031 1
1 116 . 10 1 1 A 10 10 GLY HA3 H 10 4.350 3.905 0.445 1
1 117 . 10 1 1 A 10 10 GLY C C 10 174.600 173.477 1.123 1
1 118 . 10 1 1 A 10 10 GLY CA C 10 44.600 45.054 -0.454 1
1 119 . 10 1 1 A 10 10 GLY N N 10 114.200 113.245 0.955 1
1 120 . 10 1 1 A 11 11 GLN H H 11 7.750 7.229 0.521 1
1 121 . 10 1 1 A 11 11 GLN HA H 11 4.500 4.676 -0.176 1
1 128 . 10 1 1 A 11 11 GLN C C 11 174.200 174.406 -0.206 1
1 129 . 10 1 1 A 11 11 GLN CA C 11 56.000 53.679 2.321 1
1 130 . 10 1 1 A 11 11 GLN CB C 11 29.400 31.433 -2.033 1
1 132 . 10 1 1 A 11 11 GLN N N 11 118.900 118.756 0.144 1
1 134 . 10 1 1 A 12 12 THR H H 12 8.380 8.547 -0.167 1
1 135 . 10 1 1 A 12 12 THR HA H 12 5.330 5.069 0.261 1
1 140 . 10 1 1 A 12 12 THR C C 12 174.100 174.080 0.020 1
1 141 . 10 1 1 A 12 12 THR CA C 12 62.100 61.821 0.279 1
1 142 . 10 1 1 A 12 12 THR CB C 12 69.600 70.356 -0.756 1
1 144 . 10 1 1 A 12 12 THR N N 12 116.600 116.868 -0.268 1
1 145 . 10 1 1 A 13 13 VAL H H 13 9.190 9.060 0.130 1
1 146 . 10 1 1 A 13 13 VAL HA H 13 5.140 5.079 0.061 1
1 154 . 10 1 1 A 13 13 VAL C C 13 173.200 174.523 -1.323 1
1 155 . 10 1 1 A 13 13 VAL CA C 13 57.300 58.894 -1.594 1
1 156 . 10 1 1 A 13 13 VAL CB C 13 35.100 35.253 -0.153 1
1 159 . 10 1 1 A 13 13 VAL N N 13 117.500 120.814 -3.314 1
1 160 . 10 1 1 A 14 14 LYS H H 14 9.000 9.474 -0.474 1
1 161 . 10 1 1 A 14 14 LYS HA H 14 5.350 5.280 0.070 1
1 170 . 10 1 1 A 14 14 LYS C C 14 176.900 175.807 1.093 1
1 171 . 10 1 1 A 14 14 LYS CA C 14 53.800 54.423 -0.623 1
1 172 . 10 1 1 A 14 14 LYS CB C 14 35.500 35.377 0.123 1
1 176 . 10 1 1 A 14 14 LYS N N 14 120.300 121.506 -1.206 1
1 177 . 10 1 1 A 15 15 VAL H H 15 8.620 9.310 -0.690 1
1 178 . 10 1 1 A 15 15 VAL HA H 15 3.880 4.051 -0.171 1
1 186 . 10 1 1 A 15 15 VAL C C 15 176.700 176.915 -0.215 1
1 187 . 10 1 1 A 15 15 VAL CA C 15 64.300 63.549 0.751 1
1 188 . 10 1 1 A 15 15 VAL CB C 15 31.500 31.824 -0.324 1
1 191 . 10 1 1 A 15 15 VAL N N 15 123.100 123.356 -0.256 1
1 192 . 10 1 1 A 16 16 VAL H H 16 9.580 9.078 0.502 1
1 193 . 10 1 1 A 16 16 VAL HA H 16 4.100 4.439 -0.339 1
1 201 . 10 1 1 A 16 16 VAL C C 16 175.300 175.578 -0.278 1
1 202 . 10 1 1 A 16 16 VAL CA C 16 63.400 62.271 1.129 1
1 203 . 10 1 1 A 16 16 VAL CB C 16 33.700 33.451 0.249 1
1 206 . 10 1 1 A 16 16 VAL N N 16 130.100 121.134 8.966 1
1 207 . 10 1 1 A 17 17 LYS H H 17 7.490 7.613 -0.123 1
1 208 . 10 1 1 A 17 17 LYS HA H 17 4.380 4.778 -0.398 1
1 217 . 10 1 1 A 17 17 LYS C C 17 172.900 174.081 -1.181 1
1 218 . 10 1 1 A 17 17 LYS CA C 17 56.200 55.149 1.051 1
1 219 . 10 1 1 A 17 17 LYS CB C 17 35.500 35.796 -0.296 1
1 223 . 10 1 1 A 17 17 LYS N N 17 116.800 121.414 -4.614 1
1 224 . 10 1 1 A 18 18 LEU H H 18 8.520 8.902 -0.382 1
1 225 . 10 1 1 A 18 18 LEU HA H 18 4.890 5.060 -0.170 1
1 235 . 10 1 1 A 18 18 LEU C C 18 175.600 175.759 -0.159 1
1 236 . 10 1 1 A 18 18 LEU CA C 18 53.800 53.379 0.421 1
1 237 . 10 1 1 A 18 18 LEU CB C 18 42.500 42.887 -0.387 1
1 241 . 10 1 1 A 18 18 LEU N N 18 124.100 128.560 -4.460 1
1 242 . 10 1 1 A 19 19 HIS H H 19 8.790 9.154 -0.364 1
1 243 . 10 1 1 A 19 19 HIS HA H 19 4.620 4.873 -0.253 1
1 248 . 10 1 1 A 19 19 HIS C C 19 173.000 175.303 -2.303 1
1 249 . 10 1 1 A 19 19 HIS CA C 19 55.500 54.951 0.549 1
1 250 . 10 1 1 A 19 19 HIS CB C 19 32.800 31.951 0.849 1
1 253 . 10 1 1 A 19 19 HIS N N 19 122.700 122.874 -0.174 1
1 254 . 10 1 1 A 20 20 GLY H H 20 8.100 8.480 -0.380 1
1 255 . 10 1 1 A 20 20 GLY HA2 H 20 3.920 4.056 -0.136 1
1 256 . 10 1 1 A 20 20 GLY HA3 H 20 4.510 4.058 0.452 1
1 257 . 10 1 1 A 20 20 GLY C C 20 174.500 173.409 1.091 1
1 258 . 10 1 1 A 20 20 GLY CA C 20 44.200 43.938 0.262 1
1 259 . 10 1 1 A 20 20 GLY N N 20 103.400 109.814 -6.414 1
1 260 . 10 1 1 A 21 21 THR H H 21 7.750 8.202 -0.452 1
1 261 . 10 1 1 A 21 21 THR HA H 21 4.450 4.604 -0.154 1
1 266 . 10 1 1 A 21 21 THR C C 21 175.400 176.416 -1.016 1
1 267 . 10 1 1 A 21 21 THR CA C 21 60.800 61.185 -0.385 1
1 268 . 10 1 1 A 21 21 THR CB C 21 70.900 71.521 -0.621 1
1 270 . 10 1 1 A 21 21 THR N N 21 108.600 111.419 -2.819 1
1 271 . 10 1 1 A 22 22 GLY H H 22 8.780 8.835 -0.055 1
1 272 . 10 1 1 A 22 22 GLY HA2 H 22 3.750 3.805 -0.055 1
1 273 . 10 1 1 A 22 22 GLY HA3 H 22 4.030 3.805 0.225 1
1 274 . 10 1 1 A 22 22 GLY C C 22 176.200 176.242 -0.042 1
1 275 . 10 1 1 A 22 22 GLY CA C 22 47.300 47.315 -0.015 1
1 276 . 10 1 1 A 22 22 GLY N N 22 108.600 109.057 -0.457 1
1 277 . 10 1 1 A 23 23 ALA H H 23 8.480 8.001 0.479 1
1 278 . 10 1 1 A 23 23 ALA HA H 23 4.080 4.043 0.037 1
1 282 . 10 1 1 A 23 23 ALA C C 23 180.100 179.912 0.188 1
1 283 . 10 1 1 A 23 23 ALA CA C 23 54.700 54.704 -0.004 1
1 284 . 10 1 1 A 23 23 ALA CB C 23 18.400 18.664 -0.264 1
1 285 . 10 1 1 A 23 23 ALA N N 23 123.300 124.805 -1.505 1
1 286 . 10 1 1 A 24 24 LEU H H 24 7.830 8.195 -0.365 1
1 287 . 10 1 1 A 24 24 LEU HA H 24 4.120 4.027 0.093 1
1 297 . 10 1 1 A 24 24 LEU C C 24 178.600 179.123 -0.523 1
1 298 . 10 1 1 A 24 24 LEU CA C 24 57.800 57.584 0.216 1
1 299 . 10 1 1 A 24 24 LEU CB C 24 41.100 41.263 -0.163 1
1 303 . 10 1 1 A 24 24 LEU N N 24 120.400 118.860 1.540 1
1 304 . 10 1 1 A 25 25 LYS H H 25 7.960 8.418 -0.458 1
1 305 . 10 1 1 A 25 25 LYS HA H 25 3.750 3.881 -0.131 1
1 314 . 10 1 1 A 25 25 LYS C C 25 178.300 179.979 -1.679 1
1 315 . 10 1 1 A 25 25 LYS CA C 25 60.400 60.368 0.032 1
1 316 . 10 1 1 A 25 25 LYS CB C 25 32.000 32.059 -0.059 1
1 320 . 10 1 1 A 25 25 LYS N N 25 118.000 118.000 0.000 1
1 321 . 10 1 1 A 26 26 ARG H H 26 7.890 8.454 -0.564 1
1 322 . 10 1 1 A 26 26 ARG HA H 26 3.970 4.067 -0.097 1
1 329 . 10 1 1 A 26 26 ARG C C 26 177.700 178.911 -1.211 1
1 330 . 10 1 1 A 26 26 ARG CA C 26 58.700 59.708 -1.008 1
1 331 . 10 1 1 A 26 26 ARG CB C 26 30.000 29.877 0.123 1
1 334 . 10 1 1 A 26 26 ARG N N 26 117.100 119.346 -2.246 1
1 335 . 10 1 1 A 27 27 ARG H H 27 7.660 7.606 0.054 1
1 336 . 10 1 1 A 27 27 ARG HA H 27 4.100 4.065 0.035 1
1 343 . 10 1 1 A 27 27 ARG C C 27 179.000 178.955 0.045 1
1 344 . 10 1 1 A 27 27 ARG CA C 27 59.100 58.831 0.269 1
1 345 . 10 1 1 A 27 27 ARG CB C 27 29.800 29.859 -0.059 1
1 348 . 10 1 1 A 27 27 ARG N N 27 118.600 119.271 -0.671 1
1 349 . 10 1 1 A 28 28 ILE H H 28 7.970 8.180 -0.210 1
1 350 . 10 1 1 A 28 28 ILE HA H 28 3.740 3.664 0.076 1
1 360 . 10 1 1 A 28 28 ILE C C 28 178.700 178.162 0.538 1
1 361 . 10 1 1 A 28 28 ILE CA C 28 64.800 65.057 -0.257 1
1 362 . 10 1 1 A 28 28 ILE CB C 28 38.100 37.877 0.223 1
1 366 . 10 1 1 A 28 28 ILE N N 28 119.400 119.671 -0.271 1
1 367 . 10 1 1 A 29 29 MET H H 29 8.420 8.344 0.076 1
1 368 . 10 1 1 A 29 29 MET HA H 29 4.370 4.504 -0.134 1
1 376 . 10 1 1 A 29 29 MET C C 29 181.400 177.934 3.466 1
1 377 . 10 1 1 A 29 29 MET CA C 29 59.100 58.369 0.731 1
1 378 . 10 1 1 A 29 29 MET CB C 29 32.800 32.096 0.704 1
1 381 . 10 1 1 A 29 29 MET N N 29 119.900 118.509 1.391 1
1 382 . 10 1 1 A 30 30 ASP H H 30 8.650 8.720 -0.070 1
1 383 . 10 1 1 A 30 30 ASP HA H 30 4.440 4.357 0.083 1
1 386 . 10 1 1 A 30 30 ASP C C 30 178.200 178.140 0.060 1
1 387 . 10 1 1 A 30 30 ASP CA C 30 56.700 57.905 -1.205 1
1 388 . 10 1 1 A 30 30 ASP CB C 30 39.900 41.828 -1.928 1
1 389 . 10 1 1 A 30 30 ASP N N 30 121.800 120.597 1.203 1
1 390 . 10 1 1 A 31 31 MET H H 31 7.570 7.725 -0.155 1
1 391 . 10 1 1 A 31 31 MET HA H 31 4.290 4.426 -0.136 1
1 399 . 10 1 1 A 31 31 MET C C 31 175.700 176.198 -0.498 1
1 400 . 10 1 1 A 31 31 MET CA C 31 56.800 55.862 0.938 1
1 401 . 10 1 1 A 31 31 MET CB C 31 33.300 32.348 0.952 1
1 404 . 10 1 1 A 31 31 MET N N 31 117.500 116.085 1.415 1
1 405 . 10 1 1 A 32 32 GLY H H 32 7.990 7.495 0.495 1
1 406 . 10 1 1 A 32 32 GLY HA2 H 32 4.270 4.085 0.185 1
1 407 . 10 1 1 A 32 32 GLY HA3 H 32 3.630 4.098 -0.468 1
1 408 . 10 1 1 A 32 32 GLY C C 32 173.600 174.213 -0.613 1
1 409 . 10 1 1 A 32 32 GLY CA C 32 44.200 44.897 -0.697 1
1 410 . 10 1 1 A 32 32 GLY N N 32 104.400 105.442 -1.042 1
1 411 . 10 1 1 A 33 33 ILE H H 33 7.140 8.029 -0.889 1
1 412 . 10 1 1 A 33 33 ILE HA H 33 4.120 4.212 -0.092 1
1 422 . 10 1 1 A 33 33 ILE C C 33 172.400 174.878 -2.478 1
1 423 . 10 1 1 A 33 33 ILE CA C 33 61.700 60.710 0.990 1
1 424 . 10 1 1 A 33 33 ILE CB C 33 37.200 38.443 -1.243 1
1 428 . 10 1 1 A 33 33 ILE N N 33 120.800 122.557 -1.757 1
1 429 . 10 1 1 A 34 34 THR H H 34 6.930 8.423 -1.493 1
1 430 . 10 1 1 A 34 34 THR HA H 34 4.590 5.145 -0.555 1
1 435 . 10 1 1 A 34 34 THR C C 34 174.400 173.858 0.542 1
1 436 . 10 1 1 A 34 34 THR CA C 34 58.300 59.715 -1.415 1
1 437 . 10 1 1 A 34 34 THR CB C 34 72.200 71.677 0.523 1
1 439 . 10 1 1 A 34 34 THR N N 34 113.300 117.919 -4.619 1
1 440 . 10 1 1 A 35 35 ARG H H 35 8.760 8.485 0.275 1
1 441 . 10 1 1 A 35 35 ARG HA H 35 3.520 4.252 -0.732 1
1 448 . 10 1 1 A 35 35 ARG C C 35 176.800 176.620 0.180 1
1 449 . 10 1 1 A 35 35 ARG CA C 35 58.700 56.202 2.498 1
1 450 . 10 1 1 A 35 35 ARG CB C 35 29.700 30.453 -0.753 1
1 453 . 10 1 1 A 35 35 ARG N N 35 121.300 120.707 0.593 1
1 454 . 10 1 1 A 36 36 GLY H H 36 8.950 9.550 -0.600 1
1 455 . 10 1 1 A 36 36 GLY HA2 H 36 4.460 4.017 0.443 1
1 456 . 10 1 1 A 36 36 GLY HA3 H 36 3.560 4.023 -0.463 1
1 457 . 10 1 1 A 36 36 GLY C C 36 173.900 174.423 -0.523 1
1 458 . 10 1 1 A 36 36 GLY CA C 36 44.700 45.056 -0.356 1
1 459 . 10 1 1 A 36 36 GLY N N 36 114.200 110.841 3.359 1
1 460 . 10 1 1 A 37 37 CYS H H 37 7.950 7.631 0.319 1
1 461 . 10 1 1 A 37 37 CYS HA H 37 4.550 4.628 -0.078 1
1 464 . 10 1 1 A 37 37 CYS C C 37 172.900 175.050 -2.150 1
1 465 . 10 1 1 A 37 37 CYS CA C 37 59.200 59.500 -0.300 1
1 466 . 10 1 1 A 37 37 CYS CB C 37 28.000 28.746 -0.746 1
1 467 . 10 1 1 A 37 37 CYS N N 37 118.400 119.775 -1.375 1
1 468 . 10 1 1 A 38 38 GLU H H 38 8.540 8.700 -0.160 1
1 469 . 10 1 1 A 38 38 GLU HA H 38 5.160 5.223 -0.063 1
1 474 . 10 1 1 A 38 38 GLU C C 38 176.000 175.880 0.120 1
1 475 . 10 1 1 A 38 38 GLU CA C 38 55.300 55.504 -0.204 1
1 476 . 10 1 1 A 38 38 GLU CB C 38 31.500 31.290 0.210 1
1 478 . 10 1 1 A 38 38 GLU N N 38 123.100 121.778 1.322 1
1 479 . 10 1 1 A 39 39 ILE H H 39 9.360 9.777 -0.417 1
1 480 . 10 1 1 A 39 39 ILE HA H 39 4.600 4.797 -0.197 1
1 490 . 10 1 1 A 39 39 ILE C C 39 173.700 174.199 -0.499 1
1 491 . 10 1 1 A 39 39 ILE CA C 39 60.500 60.321 0.179 1
1 492 . 10 1 1 A 39 39 ILE CB C 39 41.300 40.629 0.671 1
1 496 . 10 1 1 A 39 39 ILE N N 39 124.000 125.197 -1.197 1
1 497 . 10 1 1 A 40 40 TYR H H 40 8.540 8.791 -0.251 1
1 498 . 10 1 1 A 40 40 TYR HA H 40 5.340 4.802 0.538 1
1 505 . 10 1 1 A 40 40 TYR C C 40 175.000 174.383 0.617 1
1 506 . 10 1 1 A 40 40 TYR CA C 40 55.900 56.410 -0.510 1
1 507 . 10 1 1 A 40 40 TYR CB C 40 40.900 39.261 1.639 1
1 510 . 10 1 1 A 40 40 TYR N N 40 127.000 128.659 -1.659 1
1 511 . 10 1 1 A 41 41 ILE H H 41 7.850 8.332 -0.482 1
1 512 . 10 1 1 A 41 41 ILE HA H 41 3.910 4.100 -0.190 1
1 522 . 10 1 1 A 41 41 ILE C C 41 173.600 175.965 -2.365 1
1 523 . 10 1 1 A 41 41 ILE CA C 41 61.500 62.040 -0.540 1
1 524 . 10 1 1 A 41 41 ILE CB C 41 35.800 37.243 -1.443 1
1 528 . 10 1 1 A 41 41 ILE N N 41 127.800 128.964 -1.164 1
1 529 . 10 1 1 A 42 42 ARG H H 42 8.460 9.287 -0.827 1
1 530 . 10 1 1 A 42 42 ARG HA H 42 4.110 4.449 -0.339 1
1 537 . 10 1 1 A 42 42 ARG C C 42 176.500 175.490 1.010 1
1 538 . 10 1 1 A 42 42 ARG CA C 42 57.700 57.440 0.260 1
1 539 . 10 1 1 A 42 42 ARG CB C 42 31.400 31.601 -0.201 1
1 542 . 10 1 1 A 42 42 ARG N N 42 128.100 129.714 -1.614 1
1 543 . 10 1 1 A 43 43 LYS H H 43 7.920 7.858 0.062 1
1 544 . 10 1 1 A 43 43 LYS HA H 43 4.530 4.818 -0.288 1
1 553 . 10 1 1 A 43 43 LYS C C 43 173.100 174.091 -0.991 1
1 554 . 10 1 1 A 43 43 LYS CA C 43 56.400 55.651 0.749 1
1 555 . 10 1 1 A 43 43 LYS CB C 43 36.100 35.727 0.373 1
1 559 . 10 1 1 A 43 43 LYS N N 43 116.400 118.574 -2.174 1
1 560 . 10 1 1 A 44 44 VAL H H 44 8.450 8.949 -0.499 1
1 561 . 10 1 1 A 44 44 VAL HA H 44 4.260 4.619 -0.359 1
1 569 . 10 1 1 A 44 44 VAL C C 44 175.000 174.644 0.356 1
1 570 . 10 1 1 A 44 44 VAL CA C 44 61.500 61.019 0.481 1
1 571 . 10 1 1 A 44 44 VAL CB C 44 34.200 33.783 0.417 1
1 574 . 10 1 1 A 44 44 VAL N N 44 123.900 127.560 -3.660 1
1 575 . 10 1 1 A 45 45 ALA H H 45 7.550 8.641 -1.091 1
1 576 . 10 1 1 A 45 45 ALA HA H 45 4.480 4.634 -0.154 1
1 580 . 10 1 1 A 45 45 ALA CA C 45 51.500 50.233 1.267 1
1 581 . 10 1 1 A 45 45 ALA CB C 45 17.600 18.803 -1.203 1
1 582 . 10 1 1 A 45 45 ALA N N 45 129.600 129.164 0.436 1
1 583 . 10 1 1 A 46 46 PRO HA H 46 4.290 4.335 -0.045 1
1 590 . 10 1 1 A 46 46 PRO C C 46 177.800 178.118 -0.318 1
1 591 . 10 1 1 A 46 46 PRO CA C 46 65.500 64.610 0.890 1
1 592 . 10 1 1 A 46 46 PRO CB C 46 31.600 32.020 -0.420 1
1 595 . 10 1 1 A 47 47 LEU H H 47 8.330 7.715 0.615 1
1 596 . 10 1 1 A 47 47 LEU HA H 47 4.330 4.228 0.102 1
1 606 . 10 1 1 A 47 47 LEU C C 47 178.000 176.996 1.004 1
1 607 . 10 1 1 A 47 47 LEU CA C 47 55.300 55.523 -0.223 1
1 608 . 10 1 1 A 47 47 LEU CB C 47 40.300 42.669 -2.369 1
1 612 . 10 1 1 A 47 47 LEU N N 47 115.100 116.322 -1.222 1
1 613 . 10 1 1 A 48 48 GLY H H 48 8.420 8.909 -0.489 1
1 614 . 10 1 1 A 48 48 GLY HA2 H 48 4.090 3.924 0.166 1
1 615 . 10 1 1 A 48 48 GLY HA3 H 48 3.490 3.927 -0.437 1
1 616 . 10 1 1 A 48 48 GLY C C 48 171.900 173.105 -1.205 1
1 617 . 10 1 1 A 48 48 GLY CA C 48 45.500 45.262 0.238 1
1 618 . 10 1 1 A 48 48 GLY N N 48 107.400 105.841 1.559 1
1 619 . 10 1 1 A 49 49 ASP H H 49 6.850 7.654 -0.804 1
1 620 . 10 1 1 A 49 49 ASP HA H 49 5.050 5.203 -0.153 1
1 623 . 10 1 1 A 49 49 ASP CA C 49 50.200 51.506 -1.306 1
1 624 . 10 1 1 A 49 49 ASP CB C 49 45.300 43.376 1.924 1
1 625 . 10 1 1 A 49 49 ASP N N 49 116.000 115.659 0.341 1
1 626 . 10 1 1 A 50 50 PRO HA H 50 5.450 4.769 0.681 1
1 633 . 10 1 1 A 50 50 PRO C C 50 174.900 175.638 -0.738 1
1 634 . 10 1 1 A 50 50 PRO CA C 50 63.900 62.248 1.652 1
1 635 . 10 1 1 A 50 50 PRO CB C 50 35.600 32.564 3.036 1
1 638 . 10 1 1 A 51 51 ILE H H 51 8.980 9.113 -0.133 1
1 639 . 10 1 1 A 51 51 ILE HA H 51 4.400 4.652 -0.252 1
1 649 . 10 1 1 A 51 51 ILE C C 51 174.500 175.502 -1.002 1
1 650 . 10 1 1 A 51 51 ILE CA C 51 61.100 60.329 0.771 1
1 651 . 10 1 1 A 51 51 ILE CB C 51 40.900 38.895 2.005 1
1 655 . 10 1 1 A 51 51 ILE N N 51 118.100 121.520 -3.420 1
1 656 . 10 1 1 A 52 52 GLN H H 52 9.060 9.322 -0.262 1
1 657 . 10 1 1 A 52 52 GLN HA H 52 5.160 5.049 0.111 1
1 664 . 10 1 1 A 52 52 GLN C C 52 175.800 175.729 0.071 1
1 665 . 10 1 1 A 52 52 GLN CA C 52 54.900 55.871 -0.971 1
1 666 . 10 1 1 A 52 52 GLN CB C 52 29.600 29.640 -0.040 1
1 668 . 10 1 1 A 52 52 GLN N N 52 126.100 126.923 -0.823 1
1 670 . 10 1 1 A 53 53 ILE H H 53 9.080 9.304 -0.224 1
1 671 . 10 1 1 A 53 53 ILE HA H 53 5.440 4.961 0.479 1
1 681 . 10 1 1 A 53 53 ILE C C 53 174.000 174.155 -0.155 1
1 682 . 10 1 1 A 53 53 ILE CA C 53 58.700 58.934 -0.234 1
1 683 . 10 1 1 A 53 53 ILE CB C 53 41.500 41.155 0.345 1
1 687 . 10 1 1 A 53 53 ILE N N 53 117.600 119.456 -1.856 1
1 688 . 10 1 1 A 54 54 ASN H H 54 9.360 9.205 0.155 1
1 689 . 10 1 1 A 54 54 ASN HA H 54 5.840 5.061 0.779 1
1 694 . 10 1 1 A 54 54 ASN C C 54 174.800 174.305 0.495 1
1 695 . 10 1 1 A 54 54 ASN CA C 54 52.300 52.196 0.104 1
1 696 . 10 1 1 A 54 54 ASN CB C 54 42.200 39.401 2.799 1
1 697 . 10 1 1 A 54 54 ASN N N 54 120.100 123.389 -3.289 1
1 699 . 10 1 1 A 55 55 VAL H H 55 8.900 9.263 -0.363 1
1 700 . 10 1 1 A 55 55 VAL HA H 55 4.480 4.563 -0.083 1
1 708 . 10 1 1 A 55 55 VAL C C 55 174.400 175.930 -1.530 1
1 709 . 10 1 1 A 55 55 VAL CA C 55 60.800 61.294 -0.494 1
1 710 . 10 1 1 A 55 55 VAL CB C 55 34.300 33.956 0.344 1
1 713 . 10 1 1 A 55 55 VAL N N 55 124.400 127.218 -2.818 1
1 714 . 10 1 1 A 56 56 ARG H H 56 9.680 9.582 0.098 1
1 715 . 10 1 1 A 56 56 ARG HA H 56 3.880 4.024 -0.144 1
1 722 . 10 1 1 A 56 56 ARG C C 56 175.000 176.255 -1.255 1
1 723 . 10 1 1 A 56 56 ARG CA C 56 57.200 57.279 -0.079 1
1 724 . 10 1 1 A 56 56 ARG CB C 56 28.400 27.990 0.410 1
1 727 . 10 1 1 A 56 56 ARG N N 56 125.100 128.977 -3.877 1
1 728 . 10 1 1 A 57 57 GLY H H 57 8.130 8.458 -0.328 1
1 729 . 10 1 1 A 57 57 GLY HA2 H 57 4.130 3.830 0.300 1
1 730 . 10 1 1 A 57 57 GLY HA3 H 57 3.610 3.853 -0.243 1
1 731 . 10 1 1 A 57 57 GLY C C 57 174.300 172.964 1.336 1
1 732 . 10 1 1 A 57 57 GLY CA C 57 45.300 45.342 -0.042 1
1 733 . 10 1 1 A 57 57 GLY N N 57 103.500 105.757 -2.257 1
1 734 . 10 1 1 A 58 58 TYR H H 58 8.180 7.834 0.346 1
1 735 . 10 1 1 A 58 58 TYR HA H 58 4.750 4.788 -0.038 1
1 742 . 10 1 1 A 58 58 TYR C C 58 174.500 174.187 0.313 1
1 743 . 10 1 1 A 58 58 TYR CA C 58 56.600 56.773 -0.173 1
1 744 . 10 1 1 A 58 58 TYR CB C 58 39.500 40.756 -1.256 1
1 747 . 10 1 1 A 58 58 TYR N N 58 121.300 120.992 0.308 1
1 748 . 10 1 1 A 59 59 GLU H H 59 8.480 8.168 0.312 1
1 749 . 10 1 1 A 59 59 GLU HA H 59 5.120 4.717 0.403 1
1 754 . 10 1 1 A 59 59 GLU C C 59 178.400 175.453 2.947 1
1 755 . 10 1 1 A 59 59 GLU CA C 59 55.200 55.722 -0.522 1
1 756 . 10 1 1 A 59 59 GLU CB C 59 30.400 29.797 0.603 1
1 758 . 10 1 1 A 59 59 GLU N N 59 122.400 124.722 -2.322 1
1 759 . 10 1 1 A 60 60 LEU H H 60 8.900 9.868 -0.968 1
1 760 . 10 1 1 A 60 60 LEU HA H 60 4.830 5.003 -0.173 1
1 770 . 10 1 1 A 60 60 LEU C C 60 175.100 175.725 -0.625 1
1 771 . 10 1 1 A 60 60 LEU CA C 60 53.800 53.622 0.178 1
1 772 . 10 1 1 A 60 60 LEU CB C 60 46.200 43.378 2.822 1
1 776 . 10 1 1 A 60 60 LEU N N 60 124.600 127.556 -2.956 1
1 777 . 10 1 1 A 61 61 SER H H 61 8.390 8.860 -0.470 1
1 778 . 10 1 1 A 61 61 SER HA H 61 5.150 4.998 0.152 1
1 781 . 10 1 1 A 61 61 SER C C 61 173.300 173.191 0.109 1
1 782 . 10 1 1 A 61 61 SER CA C 61 56.600 57.135 -0.535 1
1 783 . 10 1 1 A 61 61 SER CB C 61 63.900 64.379 -0.479 1
1 784 . 10 1 1 A 61 61 SER N N 61 116.100 119.122 -3.022 1
1 785 . 10 1 1 A 62 62 LEU H H 62 9.190 9.441 -0.251 1
1 786 . 10 1 1 A 62 62 LEU HA H 62 4.700 5.211 -0.511 1
1 796 . 10 1 1 A 62 62 LEU C C 62 175.800 175.722 0.078 1
1 797 . 10 1 1 A 62 62 LEU CA C 62 53.000 53.397 -0.397 1
1 798 . 10 1 1 A 62 62 LEU CB C 62 45.900 45.440 0.460 1
1 802 . 10 1 1 A 62 62 LEU N N 62 126.800 127.907 -1.107 1
1 803 . 10 1 1 A 63 63 ARG H H 63 8.670 9.022 -0.352 1
1 804 . 10 1 1 A 63 63 ARG HA H 63 4.640 4.507 0.133 1
1 811 . 10 1 1 A 63 63 ARG C C 63 176.000 177.730 -1.730 1
1 812 . 10 1 1 A 63 63 ARG CA C 63 53.700 55.469 -1.769 1
1 813 . 10 1 1 A 63 63 ARG CB C 63 29.100 31.207 -2.107 1
1 816 . 10 1 1 A 63 63 ARG N N 63 120.600 126.236 -5.636 1
1 817 . 10 1 1 A 64 64 LYS H H 64 8.900 8.878 0.022 1
1 818 . 10 1 1 A 64 64 LYS HA H 64 3.800 4.000 -0.200 1
1 827 . 10 1 1 A 64 64 LYS C C 64 177.100 178.372 -1.272 1
1 828 . 10 1 1 A 64 64 LYS CA C 64 60.200 58.950 1.250 1
1 829 . 10 1 1 A 64 64 LYS CB C 64 32.300 32.097 0.203 1
1 833 . 10 1 1 A 64 64 LYS N N 64 124.600 122.140 2.460 1
1 834 . 10 1 1 A 65 65 SER H H 65 8.380 8.003 0.377 1
1 835 . 10 1 1 A 65 65 SER HA H 65 4.130 4.062 0.068 1
1 838 . 10 1 1 A 65 65 SER C C 65 176.000 176.887 -0.887 1
1 839 . 10 1 1 A 65 65 SER CA C 65 60.300 61.984 -1.684 1
1 840 . 10 1 1 A 65 65 SER CB C 65 61.900 62.709 -0.809 1
1 841 . 10 1 1 A 65 65 SER N N 65 110.900 117.018 -6.118 1
1 842 . 10 1 1 A 66 66 ALA H H 66 6.910 7.843 -0.933 1
1 843 . 10 1 1 A 66 66 ALA HA H 66 4.290 4.160 0.130 1
1 847 . 10 1 1 A 66 66 ALA C C 66 178.800 179.660 -0.860 1
1 848 . 10 1 1 A 66 66 ALA CA C 66 54.000 54.964 -0.964 1
1 849 . 10 1 1 A 66 66 ALA CB C 66 18.800 18.406 0.394 1
1 850 . 10 1 1 A 66 66 ALA N N 66 122.600 123.832 -1.232 1
1 851 . 10 1 1 A 67 67 ALA H H 67 8.050 7.838 0.212 1
1 852 . 10 1 1 A 67 67 ALA HA H 67 3.850 4.004 -0.154 1
1 856 . 10 1 1 A 67 67 ALA C C 67 178.800 178.701 0.099 1
1 857 . 10 1 1 A 67 67 ALA CA C 67 54.900 54.883 0.017 1
1 858 . 10 1 1 A 67 67 ALA CB C 67 18.700 18.221 0.479 1
1 859 . 10 1 1 A 67 67 ALA N N 67 118.800 120.508 -1.708 1
1 860 . 10 1 1 A 68 68 GLU H H 68 7.910 7.914 -0.004 1
1 861 . 10 1 1 A 68 68 GLU HA H 68 4.150 4.132 0.018 1
1 866 . 10 1 1 A 68 68 GLU C C 68 175.900 177.573 -1.673 1
1 867 . 10 1 1 A 68 68 GLU CA C 68 57.200 58.933 -1.733 1
1 868 . 10 1 1 A 68 68 GLU CB C 68 29.800 29.205 0.595 1
1 870 . 10 1 1 A 68 68 GLU N N 68 113.100 118.258 -5.158 1
1 871 . 10 1 1 A 69 69 MET H H 69 7.360 7.756 -0.396 1
1 872 . 10 1 1 A 69 69 MET HA H 69 4.590 4.588 0.002 1
1 880 . 10 1 1 A 69 69 MET C C 69 174.400 175.574 -1.174 1
1 881 . 10 1 1 A 69 69 MET CA C 69 53.800 56.171 -2.371 1
1 882 . 10 1 1 A 69 69 MET CB C 69 32.400 32.517 -0.117 1
1 885 . 10 1 1 A 69 69 MET N N 69 114.100 116.785 -2.685 1
1 886 . 10 1 1 A 70 70 ILE H H 70 7.310 7.114 0.196 1
1 887 . 10 1 1 A 70 70 ILE HA H 70 4.260 4.372 -0.112 1
1 897 . 10 1 1 A 70 70 ILE C C 70 174.100 174.905 -0.805 1
1 898 . 10 1 1 A 70 70 ILE CA C 70 60.900 61.076 -0.176 1
1 899 . 10 1 1 A 70 70 ILE CB C 70 38.700 38.258 0.442 1
1 903 . 10 1 1 A 70 70 ILE N N 70 120.300 118.611 1.689 1
1 904 . 10 1 1 A 71 71 GLU H H 71 8.910 9.293 -0.383 1
1 905 . 10 1 1 A 71 71 GLU HA H 71 4.750 4.887 -0.137 1
1 910 . 10 1 1 A 71 71 GLU C C 71 177.100 176.620 0.480 1
1 911 . 10 1 1 A 71 71 GLU CA C 71 55.900 56.113 -0.213 1
1 912 . 10 1 1 A 71 71 GLU CB C 71 30.600 30.489 0.111 1
1 914 . 10 1 1 A 71 71 GLU N N 71 129.500 128.621 0.879 1
1 915 . 10 1 1 A 72 72 VAL H H 72 8.880 9.141 -0.261 1
1 916 . 10 1 1 A 72 72 VAL HA H 72 5.520 5.254 0.266 1
1 924 . 10 1 1 A 72 72 VAL C C 72 173.200 173.856 -0.656 1
1 925 . 10 1 1 A 72 72 VAL CA C 72 58.500 58.990 -0.490 1
1 926 . 10 1 1 A 72 72 VAL CB C 72 36.200 35.405 0.795 1
1 929 . 10 1 1 A 72 72 VAL N N 72 119.400 120.838 -1.438 1
1 930 . 10 1 1 A 73 73 GLU H H 73 8.720 9.429 -0.709 1
1 931 . 10 1 1 A 73 73 GLU HA H 73 4.750 5.105 -0.355 1
1 936 . 10 1 1 A 73 73 GLU C C 73 175.300 175.546 -0.246 1
1 937 . 10 1 1 A 73 73 GLU CA C 73 54.000 54.451 -0.451 1
1 938 . 10 1 1 A 73 73 GLU CB C 73 33.300 33.484 -0.184 1
1 940 . 10 1 1 A 73 73 GLU N N 73 116.600 121.479 -4.879 1
1 941 . 10 1 1 A 74 74 LEU H H 74 8.780 8.361 0.419 1
1 942 . 10 1 1 A 74 74 LEU HA H 74 4.330 4.276 0.054 1
1 952 . 10 1 1 A 74 74 LEU C C 74 176.400 177.036 -0.636 1
1 953 . 10 1 1 A 74 74 LEU CA C 74 55.400 54.660 0.740 1
1 954 . 10 1 1 A 74 74 LEU CB C 74 42.600 42.192 0.408 1
1 958 . 10 1 1 A 74 74 LEU N N 74 124.100 126.395 -2.295 1
1 959 . 10 1 1 A 75 75 GLU H H 75 8.450 8.426 0.024 1
1 960 . 10 1 1 A 75 75 GLU HA H 75 4.350 4.233 0.117 1
1 965 . 10 1 1 A 75 75 GLU C C 75 175.700 176.505 -0.805 1
1 966 . 10 1 1 A 75 75 GLU CA C 75 55.800 55.410 0.390 1
1 967 . 10 1 1 A 75 75 GLU CB C 75 30.500 30.332 0.168 1
1 969 . 10 1 1 A 75 75 GLU N N 75 123.500 120.494 3.006 1
1 970 . 10 1 1 A 76 76 HIS H H 76 8.500 8.926 -0.426 1
1 971 . 10 1 1 A 76 76 HIS HA H 76 4.590 5.181 -0.591 1
1 976 . 10 1 1 A 76 76 HIS C C 76 173.800 176.164 -2.364 1
1 977 . 10 1 1 A 76 76 HIS CA C 76 55.700 55.341 0.359 1
1 978 . 10 1 1 A 76 76 HIS CB C 76 30.200 29.785 0.415 1
1 981 . 10 1 1 A 76 76 HIS N N 76 120.800 117.299 3.501 1
1 982 . 10 1 1 A 77 77 HIS H H 77 8.100 8.057 0.043 1
1 983 . 10 1 1 A 77 77 HIS HA H 77 4.610 4.246 0.364 1
1 988 . 10 1 1 A 77 77 HIS C C 77 180.000 177.531 2.469 1
1 989 . 10 1 1 A 77 77 HIS CA C 77 56.400 58.987 -2.587 1
1 990 . 10 1 1 A 77 77 HIS CB C 77 29.900 30.149 -0.249 1
1 993 . 10 1 1 A 77 77 HIS N N 77 125.100 120.160 4.940 1
1 994 . 10 1 1 A 78 78 HIS H H 78 8.250 8.043 0.207 1
1 995 . 10 1 1 A 78 78 HIS HA H 78 4.620 4.335 0.285 1
1 1000 . 10 1 1 A 78 78 HIS C C 78 180.000 175.633 4.367 1
1 1001 . 10 1 1 A 78 78 HIS CA C 78 56.400 57.221 -0.821 1
1 1002 . 10 1 1 A 78 78 HIS CB C 78 29.900 29.998 -0.098 1
1 1005 . 10 1 1 A 78 78 HIS N N 78 119.400 118.340 1.060 1
1 1006 . 10 1 1 A 79 79 HIS H H 79 8.250 8.014 0.236 1
1 1007 . 10 1 1 A 79 79 HIS HA H 79 4.620 4.506 0.114 1
1 1012 . 10 1 1 A 79 79 HIS C C 79 180.000 175.293 4.707 1
1 1013 . 10 1 1 A 79 79 HIS CA C 79 56.400 57.216 -0.816 1
1 1014 . 10 1 1 A 79 79 HIS CB C 79 29.900 31.246 -1.346 1
1 1017 . 10 1 1 A 79 79 HIS N N 79 119.400 116.514 2.886 1
1 1018 . 10 1 1 A 80 80 HIS H H 80 8.250 8.700 -0.450 1
1 1019 . 10 1 1 A 80 80 HIS HA H 80 4.620 4.159 0.461 1
1 1024 . 10 1 1 A 80 80 HIS C C 80 180.000 174.347 5.653 1
1 1025 . 10 1 1 A 80 80 HIS CA C 80 56.400 57.144 -0.744 1
1 1026 . 10 1 1 A 80 80 HIS CB C 80 29.900 28.397 1.503 1
1 1029 . 10 1 1 A 80 80 HIS N N 80 119.400 117.326 2.074 1
1 16 . 11 1 1 A 2 2 PHE H H 2 9.360 9.615 -0.255 1
1 17 . 11 1 1 A 2 2 PHE HA H 2 4.960 5.362 -0.402 1
1 25 . 11 1 1 A 2 2 PHE C C 2 173.300 174.425 -1.125 1
1 26 . 11 1 1 A 2 2 PHE CA C 2 56.400 55.218 1.182 1
1 27 . 11 1 1 A 2 2 PHE CB C 2 38.500 41.655 -3.155 1
1 31 . 11 1 1 A 2 2 PHE N N 2 127.300 127.154 0.146 1
1 32 . 11 1 1 A 3 3 SER H H 3 9.150 8.448 0.702 1
1 33 . 11 1 1 A 3 3 SER HA H 3 5.590 5.427 0.163 1
1 36 . 11 1 1 A 3 3 SER C C 3 176.100 175.110 0.990 1
1 37 . 11 1 1 A 3 3 SER CA C 3 56.500 57.068 -0.568 1
1 38 . 11 1 1 A 3 3 SER CB C 3 68.100 64.953 3.147 1
1 39 . 11 1 1 A 3 3 SER N N 3 124.000 118.508 5.492 1
1 40 . 11 1 1 A 4 4 LEU H H 4 8.540 8.330 0.210 1
1 41 . 11 1 1 A 4 4 LEU HA H 4 3.770 4.130 -0.360 1
1 51 . 11 1 1 A 4 4 LEU C C 4 177.200 177.882 -0.682 1
1 52 . 11 1 1 A 4 4 LEU CA C 4 57.300 57.953 -0.653 1
1 53 . 11 1 1 A 4 4 LEU CB C 4 41.600 41.848 -0.248 1
1 57 . 11 1 1 A 4 4 LEU N N 4 120.800 124.107 -3.307 1
1 58 . 11 1 1 A 5 5 ARG H H 5 7.150 7.614 -0.464 1
1 59 . 11 1 1 A 5 5 ARG HA H 5 3.830 3.980 -0.150 1
1 66 . 11 1 1 A 5 5 ARG C C 5 175.900 177.632 -1.732 1
1 67 . 11 1 1 A 5 5 ARG CA C 5 57.300 58.971 -1.671 1
1 68 . 11 1 1 A 5 5 ARG CB C 5 29.400 29.603 -0.203 1
1 71 . 11 1 1 A 5 5 ARG N N 5 115.100 119.367 -4.267 1
1 72 . 11 1 1 A 6 6 ASP H H 6 7.600 7.437 0.163 1
1 73 . 11 1 1 A 6 6 ASP HA H 6 4.490 4.548 -0.058 1
1 76 . 11 1 1 A 6 6 ASP C C 6 175.700 176.277 -0.577 1
1 77 . 11 1 1 A 6 6 ASP CA C 6 54.700 54.587 0.113 1
1 78 . 11 1 1 A 6 6 ASP CB C 6 42.000 40.985 1.015 1
1 79 . 11 1 1 A 6 6 ASP N N 6 117.000 117.817 -0.817 1
1 80 . 11 1 1 A 7 7 ALA H H 7 6.990 7.091 -0.101 1
1 81 . 11 1 1 A 7 7 ALA HA H 7 4.390 4.404 -0.014 1
1 85 . 11 1 1 A 7 7 ALA C C 7 175.300 177.307 -2.007 1
1 86 . 11 1 1 A 7 7 ALA CA C 7 51.600 52.671 -1.071 1
1 87 . 11 1 1 A 7 7 ALA CB C 7 19.500 19.440 0.060 1
1 88 . 11 1 1 A 7 7 ALA N N 7 122.200 121.225 0.975 1
1 89 . 11 1 1 A 8 8 LYS H H 8 8.270 8.760 -0.490 1
1 90 . 11 1 1 A 8 8 LYS HA H 8 4.480 4.729 -0.249 1
1 99 . 11 1 1 A 8 8 LYS C C 8 175.600 175.994 -0.394 1
1 100 . 11 1 1 A 8 8 LYS CA C 8 53.800 54.447 -0.647 1
1 101 . 11 1 1 A 8 8 LYS CB C 8 34.600 34.494 0.106 1
1 105 . 11 1 1 A 8 8 LYS N N 8 118.500 121.278 -2.778 1
1 106 . 11 1 1 A 9 9 CYS H H 9 8.400 8.608 -0.208 1
1 107 . 11 1 1 A 9 9 CYS HA H 9 3.630 4.218 -0.588 1
1 110 . 11 1 1 A 9 9 CYS C C 9 175.700 175.343 0.357 1
1 111 . 11 1 1 A 9 9 CYS CA C 9 60.300 60.501 -0.201 1
1 112 . 11 1 1 A 9 9 CYS CB C 9 26.700 27.164 -0.464 1
1 113 . 11 1 1 A 9 9 CYS N N 9 117.100 121.227 -4.127 1
1 114 . 11 1 1 A 10 10 GLY H H 10 8.950 8.916 0.034 1
1 115 . 11 1 1 A 10 10 GLY HA2 H 10 3.790 3.877 -0.087 1
1 116 . 11 1 1 A 10 10 GLY HA3 H 10 4.350 3.954 0.396 1
1 117 . 11 1 1 A 10 10 GLY C C 10 174.600 174.092 0.508 1
1 118 . 11 1 1 A 10 10 GLY CA C 10 44.600 44.929 -0.329 1
1 119 . 11 1 1 A 10 10 GLY N N 10 114.200 113.242 0.958 1
1 120 . 11 1 1 A 11 11 GLN H H 11 7.750 7.380 0.370 1
1 121 . 11 1 1 A 11 11 GLN HA H 11 4.500 4.768 -0.268 1
1 128 . 11 1 1 A 11 11 GLN C C 11 174.200 174.991 -0.791 1
1 129 . 11 1 1 A 11 11 GLN CA C 11 56.000 54.226 1.774 1
1 130 . 11 1 1 A 11 11 GLN CB C 11 29.400 30.978 -1.578 1
1 132 . 11 1 1 A 11 11 GLN N N 11 118.900 119.264 -0.364 1
1 134 . 11 1 1 A 12 12 THR H H 12 8.380 8.795 -0.415 1
1 135 . 11 1 1 A 12 12 THR HA H 12 5.330 5.481 -0.151 1
1 140 . 11 1 1 A 12 12 THR C C 12 174.100 174.349 -0.249 1
1 141 . 11 1 1 A 12 12 THR CA C 12 62.100 61.970 0.130 1
1 142 . 11 1 1 A 12 12 THR CB C 12 69.600 70.682 -1.082 1
1 144 . 11 1 1 A 12 12 THR N N 12 116.600 116.137 0.463 1
1 145 . 11 1 1 A 13 13 VAL H H 13 9.190 9.499 -0.309 1
1 146 . 11 1 1 A 13 13 VAL HA H 13 5.140 5.305 -0.165 1
1 154 . 11 1 1 A 13 13 VAL C C 13 173.200 173.661 -0.461 1
1 155 . 11 1 1 A 13 13 VAL CA C 13 57.300 59.535 -2.235 1
1 156 . 11 1 1 A 13 13 VAL CB C 13 35.100 35.313 -0.213 1
1 159 . 11 1 1 A 13 13 VAL N N 13 117.500 121.283 -3.783 1
1 160 . 11 1 1 A 14 14 LYS H H 14 9.000 8.892 0.108 1
1 161 . 11 1 1 A 14 14 LYS HA H 14 5.350 5.231 0.119 1
1 170 . 11 1 1 A 14 14 LYS C C 14 176.900 175.196 1.704 1
1 171 . 11 1 1 A 14 14 LYS CA C 14 53.800 54.474 -0.674 1
1 172 . 11 1 1 A 14 14 LYS CB C 14 35.500 36.029 -0.529 1
1 176 . 11 1 1 A 14 14 LYS N N 14 120.300 121.608 -1.308 1
1 177 . 11 1 1 A 15 15 VAL H H 15 8.620 9.304 -0.684 1
1 178 . 11 1 1 A 15 15 VAL HA H 15 3.880 4.059 -0.179 1
1 186 . 11 1 1 A 15 15 VAL C C 15 176.700 176.824 -0.124 1
1 187 . 11 1 1 A 15 15 VAL CA C 15 64.300 63.449 0.851 1
1 188 . 11 1 1 A 15 15 VAL CB C 15 31.500 31.127 0.373 1
1 191 . 11 1 1 A 15 15 VAL N N 15 123.100 127.210 -4.110 1
1 192 . 11 1 1 A 16 16 VAL H H 16 9.580 8.857 0.723 1
1 193 . 11 1 1 A 16 16 VAL HA H 16 4.100 4.410 -0.310 1
1 201 . 11 1 1 A 16 16 VAL C C 16 175.300 175.900 -0.600 1
1 202 . 11 1 1 A 16 16 VAL CA C 16 63.400 62.252 1.148 1
1 203 . 11 1 1 A 16 16 VAL CB C 16 33.700 33.328 0.372 1
1 206 . 11 1 1 A 16 16 VAL N N 16 130.100 122.525 7.575 1
1 207 . 11 1 1 A 17 17 LYS H H 17 7.490 7.741 -0.251 1
1 208 . 11 1 1 A 17 17 LYS HA H 17 4.380 4.915 -0.535 1
1 217 . 11 1 1 A 17 17 LYS C C 17 172.900 174.220 -1.320 1
1 218 . 11 1 1 A 17 17 LYS CA C 17 56.200 55.540 0.660 1
1 219 . 11 1 1 A 17 17 LYS CB C 17 35.500 36.210 -0.710 1
1 223 . 11 1 1 A 17 17 LYS N N 17 116.800 121.048 -4.248 1
1 224 . 11 1 1 A 18 18 LEU H H 18 8.520 8.887 -0.367 1
1 225 . 11 1 1 A 18 18 LEU HA H 18 4.890 5.031 -0.141 1
1 235 . 11 1 1 A 18 18 LEU C C 18 175.600 176.273 -0.673 1
1 236 . 11 1 1 A 18 18 LEU CA C 18 53.800 53.627 0.173 1
1 237 . 11 1 1 A 18 18 LEU CB C 18 42.500 44.620 -2.120 1
1 241 . 11 1 1 A 18 18 LEU N N 18 124.100 125.116 -1.016 1
1 242 . 11 1 1 A 19 19 HIS H H 19 8.790 8.741 0.049 1
1 243 . 11 1 1 A 19 19 HIS HA H 19 4.620 4.324 0.296 1
1 248 . 11 1 1 A 19 19 HIS C C 19 173.000 175.934 -2.934 1
1 249 . 11 1 1 A 19 19 HIS CA C 19 55.500 58.919 -3.419 1
1 250 . 11 1 1 A 19 19 HIS CB C 19 32.800 30.496 2.304 1
1 253 . 11 1 1 A 19 19 HIS N N 19 122.700 122.551 0.149 1
1 254 . 11 1 1 A 20 20 GLY H H 20 8.100 7.913 0.187 1
1 255 . 11 1 1 A 20 20 GLY HA2 H 20 3.920 3.853 0.067 1
1 256 . 11 1 1 A 20 20 GLY HA3 H 20 4.510 3.855 0.655 1
1 257 . 11 1 1 A 20 20 GLY C C 20 174.500 174.694 -0.194 1
1 258 . 11 1 1 A 20 20 GLY CA C 20 44.200 46.458 -2.258 1
1 259 . 11 1 1 A 20 20 GLY N N 20 103.400 106.809 -3.409 1
1 260 . 11 1 1 A 21 21 THR H H 21 7.750 8.599 -0.849 1
1 261 . 11 1 1 A 21 21 THR HA H 21 4.450 4.560 -0.110 1
1 266 . 11 1 1 A 21 21 THR C C 21 175.400 175.486 -0.086 1
1 267 . 11 1 1 A 21 21 THR CA C 21 60.800 60.827 -0.027 1
1 268 . 11 1 1 A 21 21 THR CB C 21 70.900 69.323 1.577 1
1 270 . 11 1 1 A 21 21 THR N N 21 108.600 117.955 -9.355 1
1 271 . 11 1 1 A 22 22 GLY H H 22 8.780 7.891 0.889 1
1 272 . 11 1 1 A 22 22 GLY HA2 H 22 3.750 4.002 -0.252 1
1 273 . 11 1 1 A 22 22 GLY HA3 H 22 4.030 4.003 0.027 1
1 274 . 11 1 1 A 22 22 GLY C C 22 176.200 175.472 0.728 1
1 275 . 11 1 1 A 22 22 GLY CA C 22 47.300 45.926 1.374 1
1 276 . 11 1 1 A 22 22 GLY N N 22 108.600 111.103 -2.503 1
1 277 . 11 1 1 A 23 23 ALA H H 23 8.480 7.946 0.534 1
1 278 . 11 1 1 A 23 23 ALA HA H 23 4.080 3.988 0.092 1
1 282 . 11 1 1 A 23 23 ALA C C 23 180.100 179.714 0.386 1
1 283 . 11 1 1 A 23 23 ALA CA C 23 54.700 54.566 0.134 1
1 284 . 11 1 1 A 23 23 ALA CB C 23 18.400 18.364 0.036 1
1 285 . 11 1 1 A 23 23 ALA N N 23 123.300 123.812 -0.512 1
1 286 . 11 1 1 A 24 24 LEU H H 24 7.830 8.073 -0.243 1
1 287 . 11 1 1 A 24 24 LEU HA H 24 4.120 4.112 0.008 1
1 297 . 11 1 1 A 24 24 LEU C C 24 178.600 178.867 -0.267 1
1 298 . 11 1 1 A 24 24 LEU CA C 24 57.800 57.308 0.492 1
1 299 . 11 1 1 A 24 24 LEU CB C 24 41.100 41.720 -0.620 1
1 303 . 11 1 1 A 24 24 LEU N N 24 120.400 120.867 -0.467 1
1 304 . 11 1 1 A 25 25 LYS H H 25 7.960 8.084 -0.124 1
1 305 . 11 1 1 A 25 25 LYS HA H 25 3.750 3.901 -0.151 1
1 314 . 11 1 1 A 25 25 LYS C C 25 178.300 179.032 -0.732 1
1 315 . 11 1 1 A 25 25 LYS CA C 25 60.400 60.346 0.054 1
1 316 . 11 1 1 A 25 25 LYS CB C 25 32.000 32.286 -0.286 1
1 320 . 11 1 1 A 25 25 LYS N N 25 118.000 119.798 -1.798 1
1 321 . 11 1 1 A 26 26 ARG H H 26 7.890 7.620 0.270 1
1 322 . 11 1 1 A 26 26 ARG HA H 26 3.970 3.934 0.036 1
1 329 . 11 1 1 A 26 26 ARG C C 26 177.700 178.650 -0.950 1
1 330 . 11 1 1 A 26 26 ARG CA C 26 58.700 59.326 -0.626 1
1 331 . 11 1 1 A 26 26 ARG CB C 26 30.000 29.626 0.374 1
1 334 . 11 1 1 A 26 26 ARG N N 26 117.100 120.054 -2.954 1
1 335 . 11 1 1 A 27 27 ARG H H 27 7.660 7.110 0.550 1
1 336 . 11 1 1 A 27 27 ARG HA H 27 4.100 4.114 -0.014 1
1 343 . 11 1 1 A 27 27 ARG C C 27 179.000 178.831 0.169 1
1 344 . 11 1 1 A 27 27 ARG CA C 27 59.100 57.818 1.282 1
1 345 . 11 1 1 A 27 27 ARG CB C 27 29.800 30.064 -0.264 1
1 348 . 11 1 1 A 27 27 ARG N N 27 118.600 119.795 -1.195 1
1 349 . 11 1 1 A 28 28 ILE H H 28 7.970 7.982 -0.012 1
1 350 . 11 1 1 A 28 28 ILE HA H 28 3.740 3.638 0.102 1
1 360 . 11 1 1 A 28 28 ILE C C 28 178.700 178.100 0.600 1
1 361 . 11 1 1 A 28 28 ILE CA C 28 64.800 65.187 -0.387 1
1 362 . 11 1 1 A 28 28 ILE CB C 28 38.100 37.815 0.285 1
1 366 . 11 1 1 A 28 28 ILE N N 28 119.400 119.772 -0.372 1
1 367 . 11 1 1 A 29 29 MET H H 29 8.420 8.286 0.134 1
1 368 . 11 1 1 A 29 29 MET HA H 29 4.370 4.754 -0.384 1
1 376 . 11 1 1 A 29 29 MET C C 29 181.400 178.019 3.381 1
1 377 . 11 1 1 A 29 29 MET CA C 29 59.100 58.301 0.799 1
1 378 . 11 1 1 A 29 29 MET CB C 29 32.800 31.903 0.897 1
1 381 . 11 1 1 A 29 29 MET N N 29 119.900 118.570 1.330 1
1 382 . 11 1 1 A 30 30 ASP H H 30 8.650 8.399 0.251 1
1 383 . 11 1 1 A 30 30 ASP HA H 30 4.440 4.356 0.084 1
1 386 . 11 1 1 A 30 30 ASP C C 30 178.200 178.020 0.180 1
1 387 . 11 1 1 A 30 30 ASP CA C 30 56.700 57.673 -0.973 1
1 388 . 11 1 1 A 30 30 ASP CB C 30 39.900 42.536 -2.636 1
1 389 . 11 1 1 A 30 30 ASP N N 30 121.800 120.528 1.272 1
1 390 . 11 1 1 A 31 31 MET H H 31 7.570 7.693 -0.123 1
1 391 . 11 1 1 A 31 31 MET HA H 31 4.290 4.451 -0.161 1
1 399 . 11 1 1 A 31 31 MET C C 31 175.700 176.366 -0.666 1
1 400 . 11 1 1 A 31 31 MET CA C 31 56.800 55.899 0.901 1
1 401 . 11 1 1 A 31 31 MET CB C 31 33.300 33.401 -0.101 1
1 404 . 11 1 1 A 31 31 MET N N 31 117.500 116.190 1.310 1
1 405 . 11 1 1 A 32 32 GLY H H 32 7.990 8.196 -0.206 1
1 406 . 11 1 1 A 32 32 GLY HA2 H 32 4.270 3.966 0.304 1
1 407 . 11 1 1 A 32 32 GLY HA3 H 32 3.630 3.968 -0.338 1
1 408 . 11 1 1 A 32 32 GLY C C 32 173.600 174.169 -0.569 1
1 409 . 11 1 1 A 32 32 GLY CA C 32 44.200 44.843 -0.643 1
1 410 . 11 1 1 A 32 32 GLY N N 32 104.400 106.117 -1.717 1
1 411 . 11 1 1 A 33 33 ILE H H 33 7.140 7.529 -0.389 1
1 412 . 11 1 1 A 33 33 ILE HA H 33 4.120 4.171 -0.051 1
1 422 . 11 1 1 A 33 33 ILE C C 33 172.400 174.737 -2.337 1
1 423 . 11 1 1 A 33 33 ILE CA C 33 61.700 60.802 0.898 1
1 424 . 11 1 1 A 33 33 ILE CB C 33 37.200 38.146 -0.946 1
1 428 . 11 1 1 A 33 33 ILE N N 33 120.800 122.875 -2.075 1
1 429 . 11 1 1 A 34 34 THR H H 34 6.930 8.895 -1.965 1
1 430 . 11 1 1 A 34 34 THR HA H 34 4.590 4.964 -0.374 1
1 435 . 11 1 1 A 34 34 THR C C 34 174.400 173.043 1.357 1
1 436 . 11 1 1 A 34 34 THR CA C 34 58.300 59.535 -1.235 1
1 437 . 11 1 1 A 34 34 THR CB C 34 72.200 71.596 0.604 1
1 439 . 11 1 1 A 34 34 THR N N 34 113.300 120.699 -7.399 1
1 440 . 11 1 1 A 35 35 ARG H H 35 8.760 8.539 0.221 1
1 441 . 11 1 1 A 35 35 ARG HA H 35 3.520 4.132 -0.612 1
1 448 . 11 1 1 A 35 35 ARG C C 35 176.800 176.935 -0.135 1
1 449 . 11 1 1 A 35 35 ARG CA C 35 58.700 58.014 0.686 1
1 450 . 11 1 1 A 35 35 ARG CB C 35 29.700 29.521 0.179 1
1 453 . 11 1 1 A 35 35 ARG N N 35 121.300 123.814 -2.514 1
1 454 . 11 1 1 A 36 36 GLY H H 36 8.950 9.415 -0.465 1
1 455 . 11 1 1 A 36 36 GLY HA2 H 36 4.460 3.996 0.464 1
1 456 . 11 1 1 A 36 36 GLY HA3 H 36 3.560 4.002 -0.442 1
1 457 . 11 1 1 A 36 36 GLY C C 36 173.900 174.820 -0.920 1
1 458 . 11 1 1 A 36 36 GLY CA C 36 44.700 45.015 -0.315 1
1 459 . 11 1 1 A 36 36 GLY N N 36 114.200 112.179 2.021 1
1 460 . 11 1 1 A 37 37 CYS H H 37 7.950 7.609 0.341 1
1 461 . 11 1 1 A 37 37 CYS HA H 37 4.550 4.656 -0.106 1
1 464 . 11 1 1 A 37 37 CYS C C 37 172.900 175.188 -2.288 1
1 465 . 11 1 1 A 37 37 CYS CA C 37 59.200 59.135 0.065 1
1 466 . 11 1 1 A 37 37 CYS CB C 37 28.000 28.948 -0.948 1
1 467 . 11 1 1 A 37 37 CYS N N 37 118.400 119.377 -0.977 1
1 468 . 11 1 1 A 38 38 GLU H H 38 8.540 8.656 -0.116 1
1 469 . 11 1 1 A 38 38 GLU HA H 38 5.160 4.968 0.192 1
1 474 . 11 1 1 A 38 38 GLU C C 38 176.000 175.588 0.412 1
1 475 . 11 1 1 A 38 38 GLU CA C 38 55.300 55.620 -0.320 1
1 476 . 11 1 1 A 38 38 GLU CB C 38 31.500 31.040 0.460 1
1 478 . 11 1 1 A 38 38 GLU N N 38 123.100 121.393 1.707 1
1 479 . 11 1 1 A 39 39 ILE H H 39 9.360 9.494 -0.134 1
1 480 . 11 1 1 A 39 39 ILE HA H 39 4.600 4.748 -0.148 1
1 490 . 11 1 1 A 39 39 ILE C C 39 173.700 173.968 -0.268 1
1 491 . 11 1 1 A 39 39 ILE CA C 39 60.500 60.321 0.179 1
1 492 . 11 1 1 A 39 39 ILE CB C 39 41.300 41.033 0.267 1
1 496 . 11 1 1 A 39 39 ILE N N 39 124.000 124.435 -0.435 1
1 497 . 11 1 1 A 40 40 TYR H H 40 8.540 8.634 -0.094 1
1 498 . 11 1 1 A 40 40 TYR HA H 40 5.340 4.947 0.393 1
1 505 . 11 1 1 A 40 40 TYR C C 40 175.000 174.340 0.660 1
1 506 . 11 1 1 A 40 40 TYR CA C 40 55.900 56.442 -0.542 1
1 507 . 11 1 1 A 40 40 TYR CB C 40 40.900 39.754 1.146 1
1 510 . 11 1 1 A 40 40 TYR N N 40 127.000 128.888 -1.888 1
1 511 . 11 1 1 A 41 41 ILE H H 41 7.850 8.555 -0.705 1
1 512 . 11 1 1 A 41 41 ILE HA H 41 3.910 3.967 -0.057 1
1 522 . 11 1 1 A 41 41 ILE C C 41 173.600 175.319 -1.719 1
1 523 . 11 1 1 A 41 41 ILE CA C 41 61.500 61.200 0.300 1
1 524 . 11 1 1 A 41 41 ILE CB C 41 35.800 37.217 -1.417 1
1 528 . 11 1 1 A 41 41 ILE N N 41 127.800 128.661 -0.861 1
1 529 . 11 1 1 A 42 42 ARG H H 42 8.460 9.410 -0.950 1
1 530 . 11 1 1 A 42 42 ARG HA H 42 4.110 4.233 -0.123 1
1 537 . 11 1 1 A 42 42 ARG C C 42 176.500 176.305 0.195 1
1 538 . 11 1 1 A 42 42 ARG CA C 42 57.700 57.499 0.201 1
1 539 . 11 1 1 A 42 42 ARG CB C 42 31.400 31.151 0.249 1
1 542 . 11 1 1 A 42 42 ARG N N 42 128.100 127.212 0.888 1
1 543 . 11 1 1 A 43 43 LYS H H 43 7.920 7.202 0.718 1
1 544 . 11 1 1 A 43 43 LYS HA H 43 4.530 4.760 -0.230 1
1 553 . 11 1 1 A 43 43 LYS C C 43 173.100 173.970 -0.870 1
1 554 . 11 1 1 A 43 43 LYS CA C 43 56.400 55.937 0.463 1
1 555 . 11 1 1 A 43 43 LYS CB C 43 36.100 35.950 0.150 1
1 559 . 11 1 1 A 43 43 LYS N N 43 116.400 117.572 -1.172 1
1 560 . 11 1 1 A 44 44 VAL H H 44 8.450 8.963 -0.513 1
1 561 . 11 1 1 A 44 44 VAL HA H 44 4.260 4.679 -0.419 1
1 569 . 11 1 1 A 44 44 VAL C C 44 175.000 174.743 0.257 1
1 570 . 11 1 1 A 44 44 VAL CA C 44 61.500 60.510 0.990 1
1 571 . 11 1 1 A 44 44 VAL CB C 44 34.200 34.846 -0.646 1
1 574 . 11 1 1 A 44 44 VAL N N 44 123.900 126.618 -2.718 1
1 575 . 11 1 1 A 45 45 ALA H H 45 7.550 8.151 -0.601 1
1 576 . 11 1 1 A 45 45 ALA HA H 45 4.480 4.569 -0.089 1
1 580 . 11 1 1 A 45 45 ALA CA C 45 51.500 50.495 1.005 1
1 581 . 11 1 1 A 45 45 ALA CB C 45 17.600 18.264 -0.664 1
1 582 . 11 1 1 A 45 45 ALA N N 45 129.600 128.290 1.310 1
1 583 . 11 1 1 A 46 46 PRO HA H 46 4.290 4.356 -0.066 1
1 590 . 11 1 1 A 46 46 PRO C C 46 177.800 176.978 0.822 1
1 591 . 11 1 1 A 46 46 PRO CA C 46 65.500 64.458 1.042 1
1 592 . 11 1 1 A 46 46 PRO CB C 46 31.600 32.018 -0.418 1
1 595 . 11 1 1 A 47 47 LEU H H 47 8.330 7.665 0.665 1
1 596 . 11 1 1 A 47 47 LEU HA H 47 4.330 4.341 -0.011 1
1 606 . 11 1 1 A 47 47 LEU C C 47 178.000 176.996 1.004 1
1 607 . 11 1 1 A 47 47 LEU CA C 47 55.300 54.062 1.238 1
1 608 . 11 1 1 A 47 47 LEU CB C 47 40.300 41.949 -1.649 1
1 612 . 11 1 1 A 47 47 LEU N N 47 115.100 115.068 0.032 1
1 613 . 11 1 1 A 48 48 GLY H H 48 8.420 7.836 0.584 1
1 614 . 11 1 1 A 48 48 GLY HA2 H 48 4.090 4.027 0.063 1
1 615 . 11 1 1 A 48 48 GLY HA3 H 48 3.490 4.031 -0.541 1
1 616 . 11 1 1 A 48 48 GLY C C 48 171.900 173.112 -1.212 1
1 617 . 11 1 1 A 48 48 GLY CA C 48 45.500 45.580 -0.080 1
1 618 . 11 1 1 A 48 48 GLY N N 48 107.400 108.358 -0.958 1
1 619 . 11 1 1 A 49 49 ASP H H 49 6.850 8.242 -1.392 1
1 620 . 11 1 1 A 49 49 ASP HA H 49 5.050 5.120 -0.070 1
1 623 . 11 1 1 A 49 49 ASP CA C 49 50.200 51.427 -1.227 1
1 624 . 11 1 1 A 49 49 ASP CB C 49 45.300 42.065 3.235 1
1 625 . 11 1 1 A 49 49 ASP N N 49 116.000 122.615 -6.615 1
1 626 . 11 1 1 A 50 50 PRO HA H 50 5.450 4.650 0.800 1
1 633 . 11 1 1 A 50 50 PRO C C 50 174.900 175.790 -0.890 1
1 634 . 11 1 1 A 50 50 PRO CA C 50 63.900 62.339 1.561 1
1 635 . 11 1 1 A 50 50 PRO CB C 50 35.600 32.755 2.845 1
1 638 . 11 1 1 A 51 51 ILE H H 51 8.980 8.968 0.012 1
1 639 . 11 1 1 A 51 51 ILE HA H 51 4.400 4.373 0.027 1
1 649 . 11 1 1 A 51 51 ILE C C 51 174.500 175.545 -1.045 1
1 650 . 11 1 1 A 51 51 ILE CA C 51 61.100 60.357 0.743 1
1 651 . 11 1 1 A 51 51 ILE CB C 51 40.900 38.180 2.720 1
1 655 . 11 1 1 A 51 51 ILE N N 51 118.100 123.225 -5.125 1
1 656 . 11 1 1 A 52 52 GLN H H 52 9.060 8.961 0.099 1
1 657 . 11 1 1 A 52 52 GLN HA H 52 5.160 4.874 0.286 1
1 664 . 11 1 1 A 52 52 GLN C C 52 175.800 175.742 0.058 1
1 665 . 11 1 1 A 52 52 GLN CA C 52 54.900 55.886 -0.986 1
1 666 . 11 1 1 A 52 52 GLN CB C 52 29.600 29.309 0.291 1
1 668 . 11 1 1 A 52 52 GLN N N 52 126.100 126.767 -0.667 1
1 670 . 11 1 1 A 53 53 ILE H H 53 9.080 9.157 -0.077 1
1 671 . 11 1 1 A 53 53 ILE HA H 53 5.440 4.937 0.503 1
1 681 . 11 1 1 A 53 53 ILE C C 53 174.000 174.067 -0.067 1
1 682 . 11 1 1 A 53 53 ILE CA C 53 58.700 59.091 -0.391 1
1 683 . 11 1 1 A 53 53 ILE CB C 53 41.500 41.120 0.380 1
1 687 . 11 1 1 A 53 53 ILE N N 53 117.600 119.379 -1.779 1
1 688 . 11 1 1 A 54 54 ASN H H 54 9.360 9.016 0.344 1
1 689 . 11 1 1 A 54 54 ASN HA H 54 5.840 5.597 0.243 1
1 694 . 11 1 1 A 54 54 ASN C C 54 174.800 174.338 0.462 1
1 695 . 11 1 1 A 54 54 ASN CA C 54 52.300 52.020 0.280 1
1 696 . 11 1 1 A 54 54 ASN CB C 54 42.200 40.324 1.876 1
1 697 . 11 1 1 A 54 54 ASN N N 54 120.100 124.052 -3.952 1
1 699 . 11 1 1 A 55 55 VAL H H 55 8.900 8.785 0.115 1
1 700 . 11 1 1 A 55 55 VAL HA H 55 4.480 4.592 -0.112 1
1 708 . 11 1 1 A 55 55 VAL C C 55 174.400 175.783 -1.383 1
1 709 . 11 1 1 A 55 55 VAL CA C 55 60.800 61.166 -0.366 1
1 710 . 11 1 1 A 55 55 VAL CB C 55 34.300 34.554 -0.254 1
1 713 . 11 1 1 A 55 55 VAL N N 55 124.400 126.212 -1.812 1
1 714 . 11 1 1 A 56 56 ARG H H 56 9.680 9.520 0.160 1
1 715 . 11 1 1 A 56 56 ARG HA H 56 3.880 4.000 -0.120 1
1 722 . 11 1 1 A 56 56 ARG C C 56 175.000 176.155 -1.155 1
1 723 . 11 1 1 A 56 56 ARG CA C 56 57.200 57.330 -0.130 1
1 724 . 11 1 1 A 56 56 ARG CB C 56 28.400 28.249 0.151 1
1 727 . 11 1 1 A 56 56 ARG N N 56 125.100 127.853 -2.753 1
1 728 . 11 1 1 A 57 57 GLY H H 57 8.130 8.422 -0.292 1
1 729 . 11 1 1 A 57 57 GLY HA2 H 57 4.130 3.678 0.452 1
1 730 . 11 1 1 A 57 57 GLY HA3 H 57 3.610 3.787 -0.177 1
1 731 . 11 1 1 A 57 57 GLY C C 57 174.300 173.933 0.367 1
1 732 . 11 1 1 A 57 57 GLY CA C 57 45.300 45.154 0.146 1
1 733 . 11 1 1 A 57 57 GLY N N 57 103.500 105.577 -2.077 1
1 734 . 11 1 1 A 58 58 TYR H H 58 8.180 7.909 0.271 1
1 735 . 11 1 1 A 58 58 TYR HA H 58 4.750 4.474 0.276 1
1 742 . 11 1 1 A 58 58 TYR C C 58 174.500 175.466 -0.966 1
1 743 . 11 1 1 A 58 58 TYR CA C 58 56.600 58.531 -1.931 1
1 744 . 11 1 1 A 58 58 TYR CB C 58 39.500 38.960 0.540 1
1 747 . 11 1 1 A 58 58 TYR N N 58 121.300 120.044 1.256 1
1 748 . 11 1 1 A 59 59 GLU H H 59 8.480 8.751 -0.271 1
1 749 . 11 1 1 A 59 59 GLU HA H 59 5.120 4.702 0.418 1
1 754 . 11 1 1 A 59 59 GLU C C 59 178.400 175.732 2.668 1
1 755 . 11 1 1 A 59 59 GLU CA C 59 55.200 55.746 -0.546 1
1 756 . 11 1 1 A 59 59 GLU CB C 59 30.400 30.163 0.237 1
1 758 . 11 1 1 A 59 59 GLU N N 59 122.400 121.819 0.581 1
1 759 . 11 1 1 A 60 60 LEU H H 60 8.900 9.699 -0.799 1
1 760 . 11 1 1 A 60 60 LEU HA H 60 4.830 5.051 -0.221 1
1 770 . 11 1 1 A 60 60 LEU C C 60 175.100 175.673 -0.573 1
1 771 . 11 1 1 A 60 60 LEU CA C 60 53.800 53.324 0.476 1
1 772 . 11 1 1 A 60 60 LEU CB C 60 46.200 43.562 2.638 1
1 776 . 11 1 1 A 60 60 LEU N N 60 124.600 127.375 -2.775 1
1 777 . 11 1 1 A 61 61 SER H H 61 8.390 8.951 -0.561 1
1 778 . 11 1 1 A 61 61 SER HA H 61 5.150 5.013 0.137 1
1 781 . 11 1 1 A 61 61 SER C C 61 173.300 173.089 0.211 1
1 782 . 11 1 1 A 61 61 SER CA C 61 56.600 58.063 -1.463 1
1 783 . 11 1 1 A 61 61 SER CB C 61 63.900 63.663 0.237 1
1 784 . 11 1 1 A 61 61 SER N N 61 116.100 121.507 -5.407 1
1 785 . 11 1 1 A 62 62 LEU H H 62 9.190 9.241 -0.051 1
1 786 . 11 1 1 A 62 62 LEU HA H 62 4.700 5.030 -0.330 1
1 796 . 11 1 1 A 62 62 LEU C C 62 175.800 176.012 -0.212 1
1 797 . 11 1 1 A 62 62 LEU CA C 62 53.000 53.591 -0.591 1
1 798 . 11 1 1 A 62 62 LEU CB C 62 45.900 44.708 1.192 1
1 802 . 11 1 1 A 62 62 LEU N N 62 126.800 129.565 -2.765 1
1 803 . 11 1 1 A 63 63 ARG H H 63 8.670 8.860 -0.190 1
1 804 . 11 1 1 A 63 63 ARG HA H 63 4.640 4.289 0.351 1
1 811 . 11 1 1 A 63 63 ARG C C 63 176.000 177.675 -1.675 1
1 812 . 11 1 1 A 63 63 ARG CA C 63 53.700 56.557 -2.857 1
1 813 . 11 1 1 A 63 63 ARG CB C 63 29.100 30.806 -1.706 1
1 816 . 11 1 1 A 63 63 ARG N N 63 120.600 125.622 -5.022 1
1 817 . 11 1 1 A 64 64 LYS H H 64 8.900 8.726 0.174 1
1 818 . 11 1 1 A 64 64 LYS HA H 64 3.800 4.023 -0.223 1
1 827 . 11 1 1 A 64 64 LYS C C 64 177.100 178.331 -1.231 1
1 828 . 11 1 1 A 64 64 LYS CA C 64 60.200 58.789 1.411 1
1 829 . 11 1 1 A 64 64 LYS CB C 64 32.300 31.958 0.342 1
1 833 . 11 1 1 A 64 64 LYS N N 64 124.600 123.510 1.090 1
1 834 . 11 1 1 A 65 65 SER H H 65 8.380 7.954 0.426 1
1 835 . 11 1 1 A 65 65 SER HA H 65 4.130 4.114 0.016 1
1 838 . 11 1 1 A 65 65 SER C C 65 176.000 176.522 -0.522 1
1 839 . 11 1 1 A 65 65 SER CA C 65 60.300 61.768 -1.468 1
1 840 . 11 1 1 A 65 65 SER CB C 65 61.900 63.005 -1.105 1
1 841 . 11 1 1 A 65 65 SER N N 65 110.900 117.511 -6.611 1
1 842 . 11 1 1 A 66 66 ALA H H 66 6.910 7.653 -0.743 1
1 843 . 11 1 1 A 66 66 ALA HA H 66 4.290 4.176 0.114 1
1 847 . 11 1 1 A 66 66 ALA C C 66 178.800 179.303 -0.503 1
1 848 . 11 1 1 A 66 66 ALA CA C 66 54.000 54.750 -0.750 1
1 849 . 11 1 1 A 66 66 ALA CB C 66 18.800 18.818 -0.018 1
1 850 . 11 1 1 A 66 66 ALA N N 66 122.600 123.200 -0.600 1
1 851 . 11 1 1 A 67 67 ALA H H 67 8.050 7.833 0.217 1
1 852 . 11 1 1 A 67 67 ALA HA H 67 3.850 3.958 -0.108 1
1 856 . 11 1 1 A 67 67 ALA C C 67 178.800 179.162 -0.362 1
1 857 . 11 1 1 A 67 67 ALA CA C 67 54.900 55.133 -0.233 1
1 858 . 11 1 1 A 67 67 ALA CB C 67 18.700 18.195 0.505 1
1 859 . 11 1 1 A 67 67 ALA N N 67 118.800 119.809 -1.009 1
1 860 . 11 1 1 A 68 68 GLU H H 68 7.910 8.399 -0.489 1
1 861 . 11 1 1 A 68 68 GLU HA H 68 4.150 4.105 0.045 1
1 866 . 11 1 1 A 68 68 GLU C C 68 175.900 177.737 -1.837 1
1 867 . 11 1 1 A 68 68 GLU CA C 68 57.200 58.234 -1.034 1
1 868 . 11 1 1 A 68 68 GLU CB C 68 29.800 29.509 0.291 1
1 870 . 11 1 1 A 68 68 GLU N N 68 113.100 117.390 -4.290 1
1 871 . 11 1 1 A 69 69 MET H H 69 7.360 7.772 -0.412 1
1 872 . 11 1 1 A 69 69 MET HA H 69 4.590 4.606 -0.016 1
1 880 . 11 1 1 A 69 69 MET C C 69 174.400 175.570 -1.170 1
1 881 . 11 1 1 A 69 69 MET CA C 69 53.800 54.419 -0.619 1
1 882 . 11 1 1 A 69 69 MET CB C 69 32.400 33.166 -0.766 1
1 885 . 11 1 1 A 69 69 MET N N 69 114.100 116.777 -2.677 1
1 886 . 11 1 1 A 70 70 ILE H H 70 7.310 7.192 0.118 1
1 887 . 11 1 1 A 70 70 ILE HA H 70 4.260 4.163 0.097 1
1 897 . 11 1 1 A 70 70 ILE C C 70 174.100 175.101 -1.001 1
1 898 . 11 1 1 A 70 70 ILE CA C 70 60.900 61.279 -0.379 1
1 899 . 11 1 1 A 70 70 ILE CB C 70 38.700 38.913 -0.213 1
1 903 . 11 1 1 A 70 70 ILE N N 70 120.300 120.654 -0.354 1
1 904 . 11 1 1 A 71 71 GLU H H 71 8.910 8.781 0.129 1
1 905 . 11 1 1 A 71 71 GLU HA H 71 4.750 5.031 -0.281 1
1 910 . 11 1 1 A 71 71 GLU C C 71 177.100 176.097 1.003 1
1 911 . 11 1 1 A 71 71 GLU CA C 71 55.900 55.283 0.617 1
1 912 . 11 1 1 A 71 71 GLU CB C 71 30.600 30.893 -0.293 1
1 914 . 11 1 1 A 71 71 GLU N N 71 129.500 127.425 2.075 1
1 915 . 11 1 1 A 72 72 VAL H H 72 8.880 9.190 -0.310 1
1 916 . 11 1 1 A 72 72 VAL HA H 72 5.520 5.383 0.137 1
1 924 . 11 1 1 A 72 72 VAL C C 72 173.200 174.474 -1.274 1
1 925 . 11 1 1 A 72 72 VAL CA C 72 58.500 58.941 -0.441 1
1 926 . 11 1 1 A 72 72 VAL CB C 72 36.200 35.574 0.626 1
1 929 . 11 1 1 A 72 72 VAL N N 72 119.400 121.094 -1.694 1
1 930 . 11 1 1 A 73 73 GLU H H 73 8.720 8.922 -0.202 1
1 931 . 11 1 1 A 73 73 GLU HA H 73 4.750 4.879 -0.129 1
1 936 . 11 1 1 A 73 73 GLU C C 73 175.300 174.783 0.517 1
1 937 . 11 1 1 A 73 73 GLU CA C 73 54.000 54.747 -0.747 1
1 938 . 11 1 1 A 73 73 GLU CB C 73 33.300 32.779 0.521 1
1 940 . 11 1 1 A 73 73 GLU N N 73 116.600 120.956 -4.356 1
1 941 . 11 1 1 A 74 74 LEU H H 74 8.780 8.421 0.359 1
1 942 . 11 1 1 A 74 74 LEU HA H 74 4.330 4.385 -0.055 1
1 952 . 11 1 1 A 74 74 LEU C C 74 176.400 176.223 0.177 1
1 953 . 11 1 1 A 74 74 LEU CA C 74 55.400 53.436 1.964 1
1 954 . 11 1 1 A 74 74 LEU CB C 74 42.600 40.296 2.304 1
1 958 . 11 1 1 A 74 74 LEU N N 74 124.100 125.310 -1.210 1
1 959 . 11 1 1 A 75 75 GLU H H 75 8.450 8.177 0.273 1
1 960 . 11 1 1 A 75 75 GLU HA H 75 4.350 4.072 0.278 1
1 965 . 11 1 1 A 75 75 GLU C C 75 175.700 175.942 -0.242 1
1 966 . 11 1 1 A 75 75 GLU CA C 75 55.800 57.352 -1.552 1
1 967 . 11 1 1 A 75 75 GLU CB C 75 30.500 28.204 2.296 1
1 969 . 11 1 1 A 75 75 GLU N N 75 123.500 122.322 1.178 1
1 970 . 11 1 1 A 76 76 HIS H H 76 8.500 8.729 -0.229 1
1 971 . 11 1 1 A 76 76 HIS HA H 76 4.590 4.849 -0.259 1
1 976 . 11 1 1 A 76 76 HIS C C 76 173.800 174.855 -1.055 1
1 977 . 11 1 1 A 76 76 HIS CA C 76 55.700 56.685 -0.985 1
1 978 . 11 1 1 A 76 76 HIS CB C 76 30.200 32.980 -2.780 1
1 981 . 11 1 1 A 76 76 HIS N N 76 120.800 124.570 -3.770 1
1 982 . 11 1 1 A 77 77 HIS H H 77 8.100 8.710 -0.610 1
1 983 . 11 1 1 A 77 77 HIS HA H 77 4.610 4.505 0.105 1
1 988 . 11 1 1 A 77 77 HIS C C 77 180.000 175.113 4.887 1
1 989 . 11 1 1 A 77 77 HIS CA C 77 56.400 54.787 1.613 1
1 990 . 11 1 1 A 77 77 HIS CB C 77 29.900 28.602 1.298 1
1 993 . 11 1 1 A 77 77 HIS N N 77 125.100 118.042 7.058 1
1 994 . 11 1 1 A 78 78 HIS H H 78 8.250 8.305 -0.055 1
1 995 . 11 1 1 A 78 78 HIS HA H 78 4.620 4.039 0.581 1
1 1000 . 11 1 1 A 78 78 HIS C C 78 180.000 174.615 5.385 1
1 1001 . 11 1 1 A 78 78 HIS CA C 78 56.400 56.705 -0.305 1
1 1002 . 11 1 1 A 78 78 HIS CB C 78 29.900 27.898 2.002 1
1 1005 . 11 1 1 A 78 78 HIS N N 78 119.400 123.141 -3.741 1
1 1006 . 11 1 1 A 79 79 HIS H H 79 8.250 7.806 0.444 1
1 1007 . 11 1 1 A 79 79 HIS HA H 79 4.620 4.704 -0.084 1
1 1012 . 11 1 1 A 79 79 HIS C C 79 180.000 173.379 6.621 1
1 1013 . 11 1 1 A 79 79 HIS CA C 79 56.400 53.967 2.433 1
1 1014 . 11 1 1 A 79 79 HIS CB C 79 29.900 30.465 -0.565 1
1 1017 . 11 1 1 A 79 79 HIS N N 79 119.400 120.592 -1.192 1
1 1018 . 11 1 1 A 80 80 HIS H H 80 8.250 8.784 -0.534 1
1 1019 . 11 1 1 A 80 80 HIS HA H 80 4.620 4.494 0.126 1
1 1024 . 11 1 1 A 80 80 HIS C C 80 180.000 174.114 5.886 1
1 1025 . 11 1 1 A 80 80 HIS CA C 80 56.400 57.578 -1.178 1
1 1026 . 11 1 1 A 80 80 HIS CB C 80 29.900 30.574 -0.674 1
1 1029 . 11 1 1 A 80 80 HIS N N 80 119.400 127.027 -7.627 1
1 16 . 12 1 1 A 2 2 PHE H H 2 9.360 8.966 0.394 1
1 17 . 12 1 1 A 2 2 PHE HA H 2 4.960 5.204 -0.244 1
1 25 . 12 1 1 A 2 2 PHE C C 2 173.300 174.822 -1.522 1
1 26 . 12 1 1 A 2 2 PHE CA C 2 56.400 55.902 0.498 1
1 27 . 12 1 1 A 2 2 PHE CB C 2 38.500 40.948 -2.448 1
1 31 . 12 1 1 A 2 2 PHE N N 2 127.300 128.591 -1.291 1
1 32 . 12 1 1 A 3 3 SER H H 3 9.150 9.066 0.084 1
1 33 . 12 1 1 A 3 3 SER HA H 3 5.590 5.287 0.303 1
1 36 . 12 1 1 A 3 3 SER C C 3 176.100 175.355 0.745 1
1 37 . 12 1 1 A 3 3 SER CA C 3 56.500 56.272 0.228 1
1 38 . 12 1 1 A 3 3 SER CB C 3 68.100 66.298 1.802 1
1 39 . 12 1 1 A 3 3 SER N N 3 124.000 119.174 4.826 1
1 40 . 12 1 1 A 4 4 LEU H H 4 8.540 8.897 -0.357 1
1 41 . 12 1 1 A 4 4 LEU HA H 4 3.770 4.204 -0.434 1
1 51 . 12 1 1 A 4 4 LEU C C 4 177.200 177.867 -0.667 1
1 52 . 12 1 1 A 4 4 LEU CA C 4 57.300 57.548 -0.248 1
1 53 . 12 1 1 A 4 4 LEU CB C 4 41.600 41.923 -0.323 1
1 57 . 12 1 1 A 4 4 LEU N N 4 120.800 123.016 -2.216 1
1 58 . 12 1 1 A 5 5 ARG H H 5 7.150 7.939 -0.789 1
1 59 . 12 1 1 A 5 5 ARG HA H 5 3.830 4.084 -0.254 1
1 66 . 12 1 1 A 5 5 ARG C C 5 175.900 177.992 -2.092 1
1 67 . 12 1 1 A 5 5 ARG CA C 5 57.300 58.711 -1.411 1
1 68 . 12 1 1 A 5 5 ARG CB C 5 29.400 29.739 -0.339 1
1 71 . 12 1 1 A 5 5 ARG N N 5 115.100 119.439 -4.339 1
1 72 . 12 1 1 A 6 6 ASP H H 6 7.600 7.640 -0.040 1
1 73 . 12 1 1 A 6 6 ASP HA H 6 4.490 4.382 0.108 1
1 76 . 12 1 1 A 6 6 ASP C C 6 175.700 176.218 -0.518 1
1 77 . 12 1 1 A 6 6 ASP CA C 6 54.700 55.137 -0.437 1
1 78 . 12 1 1 A 6 6 ASP CB C 6 42.000 40.595 1.405 1
1 79 . 12 1 1 A 6 6 ASP N N 6 117.000 117.387 -0.387 1
1 80 . 12 1 1 A 7 7 ALA H H 7 6.990 7.483 -0.493 1
1 81 . 12 1 1 A 7 7 ALA HA H 7 4.390 4.571 -0.181 1
1 85 . 12 1 1 A 7 7 ALA C C 7 175.300 176.850 -1.550 1
1 86 . 12 1 1 A 7 7 ALA CA C 7 51.600 52.516 -0.916 1
1 87 . 12 1 1 A 7 7 ALA CB C 7 19.500 20.261 -0.761 1
1 88 . 12 1 1 A 7 7 ALA N N 7 122.200 121.385 0.815 1
1 89 . 12 1 1 A 8 8 LYS H H 8 8.270 9.136 -0.866 1
1 90 . 12 1 1 A 8 8 LYS HA H 8 4.480 4.837 -0.357 1
1 99 . 12 1 1 A 8 8 LYS C C 8 175.600 176.184 -0.584 1
1 100 . 12 1 1 A 8 8 LYS CA C 8 53.800 54.568 -0.768 1
1 101 . 12 1 1 A 8 8 LYS CB C 8 34.600 35.388 -0.788 1
1 105 . 12 1 1 A 8 8 LYS N N 8 118.500 119.317 -0.817 1
1 106 . 12 1 1 A 9 9 CYS H H 9 8.400 8.614 -0.214 1
1 107 . 12 1 1 A 9 9 CYS HA H 9 3.630 4.686 -1.056 1
1 110 . 12 1 1 A 9 9 CYS C C 9 175.700 175.355 0.345 1
1 111 . 12 1 1 A 9 9 CYS CA C 9 60.300 60.532 -0.232 1
1 112 . 12 1 1 A 9 9 CYS CB C 9 26.700 27.320 -0.620 1
1 113 . 12 1 1 A 9 9 CYS N N 9 117.100 120.642 -3.542 1
1 114 . 12 1 1 A 10 10 GLY H H 10 8.950 9.348 -0.398 1
1 115 . 12 1 1 A 10 10 GLY HA2 H 10 3.790 4.072 -0.282 1
1 116 . 12 1 1 A 10 10 GLY HA3 H 10 4.350 4.137 0.213 1
1 117 . 12 1 1 A 10 10 GLY C C 10 174.600 174.089 0.511 1
1 118 . 12 1 1 A 10 10 GLY CA C 10 44.600 45.111 -0.511 1
1 119 . 12 1 1 A 10 10 GLY N N 10 114.200 113.244 0.956 1
1 120 . 12 1 1 A 11 11 GLN H H 11 7.750 7.598 0.152 1
1 121 . 12 1 1 A 11 11 GLN HA H 11 4.500 4.507 -0.007 1
1 128 . 12 1 1 A 11 11 GLN C C 11 174.200 175.502 -1.302 1
1 129 . 12 1 1 A 11 11 GLN CA C 11 56.000 55.381 0.619 1
1 130 . 12 1 1 A 11 11 GLN CB C 11 29.400 29.623 -0.223 1
1 132 . 12 1 1 A 11 11 GLN N N 11 118.900 119.913 -1.013 1
1 134 . 12 1 1 A 12 12 THR H H 12 8.380 8.696 -0.316 1
1 135 . 12 1 1 A 12 12 THR HA H 12 5.330 4.864 0.466 1
1 140 . 12 1 1 A 12 12 THR C C 12 174.100 174.725 -0.625 1
1 141 . 12 1 1 A 12 12 THR CA C 12 62.100 62.347 -0.247 1
1 142 . 12 1 1 A 12 12 THR CB C 12 69.600 69.281 0.319 1
1 144 . 12 1 1 A 12 12 THR N N 12 116.600 118.962 -2.362 1
1 145 . 12 1 1 A 13 13 VAL H H 13 9.190 9.705 -0.515 1
1 146 . 12 1 1 A 13 13 VAL HA H 13 5.140 5.288 -0.148 1
1 154 . 12 1 1 A 13 13 VAL C C 13 173.200 173.538 -0.338 1
1 155 . 12 1 1 A 13 13 VAL CA C 13 57.300 59.230 -1.930 1
1 156 . 12 1 1 A 13 13 VAL CB C 13 35.100 35.240 -0.140 1
1 159 . 12 1 1 A 13 13 VAL N N 13 117.500 122.002 -4.502 1
1 160 . 12 1 1 A 14 14 LYS H H 14 9.000 9.433 -0.433 1
1 161 . 12 1 1 A 14 14 LYS HA H 14 5.350 5.199 0.151 1
1 170 . 12 1 1 A 14 14 LYS C C 14 176.900 175.945 0.955 1
1 171 . 12 1 1 A 14 14 LYS CA C 14 53.800 54.401 -0.601 1
1 172 . 12 1 1 A 14 14 LYS CB C 14 35.500 35.651 -0.151 1
1 176 . 12 1 1 A 14 14 LYS N N 14 120.300 122.050 -1.750 1
1 177 . 12 1 1 A 15 15 VAL H H 15 8.620 9.356 -0.736 1
1 178 . 12 1 1 A 15 15 VAL HA H 15 3.880 4.110 -0.230 1
1 186 . 12 1 1 A 15 15 VAL C C 15 176.700 176.953 -0.253 1
1 187 . 12 1 1 A 15 15 VAL CA C 15 64.300 63.718 0.582 1
1 188 . 12 1 1 A 15 15 VAL CB C 15 31.500 31.670 -0.170 1
1 191 . 12 1 1 A 15 15 VAL N N 15 123.100 127.218 -4.118 1
1 192 . 12 1 1 A 16 16 VAL H H 16 9.580 9.227 0.353 1
1 193 . 12 1 1 A 16 16 VAL HA H 16 4.100 4.462 -0.362 1
1 201 . 12 1 1 A 16 16 VAL C C 16 175.300 176.104 -0.804 1
1 202 . 12 1 1 A 16 16 VAL CA C 16 63.400 62.094 1.306 1
1 203 . 12 1 1 A 16 16 VAL CB C 16 33.700 33.601 0.099 1
1 206 . 12 1 1 A 16 16 VAL N N 16 130.100 121.026 9.074 1
1 207 . 12 1 1 A 17 17 LYS H H 17 7.490 7.633 -0.143 1
1 208 . 12 1 1 A 17 17 LYS HA H 17 4.380 4.730 -0.350 1
1 217 . 12 1 1 A 17 17 LYS C C 17 172.900 174.921 -2.021 1
1 218 . 12 1 1 A 17 17 LYS CA C 17 56.200 54.969 1.231 1
1 219 . 12 1 1 A 17 17 LYS CB C 17 35.500 36.258 -0.758 1
1 223 . 12 1 1 A 17 17 LYS N N 17 116.800 120.051 -3.251 1
1 224 . 12 1 1 A 18 18 LEU H H 18 8.520 8.961 -0.441 1
1 225 . 12 1 1 A 18 18 LEU HA H 18 4.890 4.857 0.033 1
1 235 . 12 1 1 A 18 18 LEU C C 18 175.600 175.912 -0.312 1
1 236 . 12 1 1 A 18 18 LEU CA C 18 53.800 53.768 0.032 1
1 237 . 12 1 1 A 18 18 LEU CB C 18 42.500 42.856 -0.356 1
1 241 . 12 1 1 A 18 18 LEU N N 18 124.100 124.445 -0.345 1
1 242 . 12 1 1 A 19 19 HIS H H 19 8.790 9.059 -0.269 1
1 243 . 12 1 1 A 19 19 HIS HA H 19 4.620 4.354 0.266 1
1 248 . 12 1 1 A 19 19 HIS C C 19 173.000 175.881 -2.881 1
1 249 . 12 1 1 A 19 19 HIS CA C 19 55.500 58.878 -3.378 1
1 250 . 12 1 1 A 19 19 HIS CB C 19 32.800 30.495 2.305 1
1 253 . 12 1 1 A 19 19 HIS N N 19 122.700 123.912 -1.212 1
1 254 . 12 1 1 A 20 20 GLY H H 20 8.100 7.910 0.190 1
1 255 . 12 1 1 A 20 20 GLY HA2 H 20 3.920 3.899 0.021 1
1 256 . 12 1 1 A 20 20 GLY HA3 H 20 4.510 3.900 0.610 1
1 257 . 12 1 1 A 20 20 GLY C C 20 174.500 174.327 0.173 1
1 258 . 12 1 1 A 20 20 GLY CA C 20 44.200 45.720 -1.520 1
1 259 . 12 1 1 A 20 20 GLY N N 20 103.400 106.784 -3.384 1
1 260 . 12 1 1 A 21 21 THR H H 21 7.750 8.606 -0.856 1
1 261 . 12 1 1 A 21 21 THR HA H 21 4.450 4.635 -0.185 1
1 266 . 12 1 1 A 21 21 THR C C 21 175.400 174.572 0.828 1
1 267 . 12 1 1 A 21 21 THR CA C 21 60.800 61.517 -0.717 1
1 268 . 12 1 1 A 21 21 THR CB C 21 70.900 69.288 1.612 1
1 270 . 12 1 1 A 21 21 THR N N 21 108.600 117.017 -8.417 1
1 271 . 12 1 1 A 22 22 GLY H H 22 8.780 7.903 0.877 1
1 272 . 12 1 1 A 22 22 GLY HA2 H 22 3.750 4.027 -0.277 1
1 273 . 12 1 1 A 22 22 GLY HA3 H 22 4.030 4.028 0.002 1
1 274 . 12 1 1 A 22 22 GLY C C 22 176.200 175.544 0.656 1
1 275 . 12 1 1 A 22 22 GLY CA C 22 47.300 45.709 1.591 1
1 276 . 12 1 1 A 22 22 GLY N N 22 108.600 109.912 -1.312 1
1 277 . 12 1 1 A 23 23 ALA H H 23 8.480 8.191 0.289 1
1 278 . 12 1 1 A 23 23 ALA HA H 23 4.080 3.974 0.106 1
1 282 . 12 1 1 A 23 23 ALA C C 23 180.100 179.946 0.154 1
1 283 . 12 1 1 A 23 23 ALA CA C 23 54.700 54.794 -0.094 1
1 284 . 12 1 1 A 23 23 ALA CB C 23 18.400 18.703 -0.303 1
1 285 . 12 1 1 A 23 23 ALA N N 23 123.300 123.401 -0.101 1
1 286 . 12 1 1 A 24 24 LEU H H 24 7.830 8.131 -0.301 1
1 287 . 12 1 1 A 24 24 LEU HA H 24 4.120 3.965 0.155 1
1 297 . 12 1 1 A 24 24 LEU C C 24 178.600 179.415 -0.815 1
1 298 . 12 1 1 A 24 24 LEU CA C 24 57.800 57.734 0.066 1
1 299 . 12 1 1 A 24 24 LEU CB C 24 41.100 41.330 -0.230 1
1 303 . 12 1 1 A 24 24 LEU N N 24 120.400 118.995 1.405 1
1 304 . 12 1 1 A 25 25 LYS H H 25 7.960 7.975 -0.015 1
1 305 . 12 1 1 A 25 25 LYS HA H 25 3.750 3.879 -0.129 1
1 314 . 12 1 1 A 25 25 LYS C C 25 178.300 179.016 -0.716 1
1 315 . 12 1 1 A 25 25 LYS CA C 25 60.400 60.424 -0.024 1
1 316 . 12 1 1 A 25 25 LYS CB C 25 32.000 32.270 -0.270 1
1 320 . 12 1 1 A 25 25 LYS N N 25 118.000 118.198 -0.198 1
1 321 . 12 1 1 A 26 26 ARG H H 26 7.890 7.592 0.298 1
1 322 . 12 1 1 A 26 26 ARG HA H 26 3.970 3.954 0.016 1
1 329 . 12 1 1 A 26 26 ARG C C 26 177.700 179.018 -1.318 1
1 330 . 12 1 1 A 26 26 ARG CA C 26 58.700 59.700 -1.000 1
1 331 . 12 1 1 A 26 26 ARG CB C 26 30.000 29.960 0.040 1
1 334 . 12 1 1 A 26 26 ARG N N 26 117.100 119.748 -2.648 1
1 335 . 12 1 1 A 27 27 ARG H H 27 7.660 7.700 -0.040 1
1 336 . 12 1 1 A 27 27 ARG HA H 27 4.100 4.023 0.077 1
1 343 . 12 1 1 A 27 27 ARG C C 27 179.000 178.805 0.195 1
1 344 . 12 1 1 A 27 27 ARG CA C 27 59.100 59.027 0.073 1
1 345 . 12 1 1 A 27 27 ARG CB C 27 29.800 29.910 -0.110 1
1 348 . 12 1 1 A 27 27 ARG N N 27 118.600 118.681 -0.081 1
1 349 . 12 1 1 A 28 28 ILE H H 28 7.970 8.144 -0.174 1
1 350 . 12 1 1 A 28 28 ILE HA H 28 3.740 3.694 0.046 1
1 360 . 12 1 1 A 28 28 ILE C C 28 178.700 178.949 -0.249 1
1 361 . 12 1 1 A 28 28 ILE CA C 28 64.800 64.475 0.325 1
1 362 . 12 1 1 A 28 28 ILE CB C 28 38.100 37.279 0.821 1
1 366 . 12 1 1 A 28 28 ILE N N 28 119.400 120.822 -1.422 1
1 367 . 12 1 1 A 29 29 MET H H 29 8.420 8.168 0.252 1
1 368 . 12 1 1 A 29 29 MET HA H 29 4.370 4.418 -0.048 1
1 376 . 12 1 1 A 29 29 MET C C 29 181.400 178.173 3.227 1
1 377 . 12 1 1 A 29 29 MET CA C 29 59.100 58.848 0.252 1
1 378 . 12 1 1 A 29 29 MET CB C 29 32.800 32.985 -0.185 1
1 381 . 12 1 1 A 29 29 MET N N 29 119.900 119.428 0.472 1
1 382 . 12 1 1 A 30 30 ASP H H 30 8.650 8.447 0.203 1
1 383 . 12 1 1 A 30 30 ASP HA H 30 4.440 4.444 -0.004 1
1 386 . 12 1 1 A 30 30 ASP C C 30 178.200 179.161 -0.961 1
1 387 . 12 1 1 A 30 30 ASP CA C 30 56.700 57.012 -0.312 1
1 388 . 12 1 1 A 30 30 ASP CB C 30 39.900 40.110 -0.210 1
1 389 . 12 1 1 A 30 30 ASP N N 30 121.800 119.081 2.719 1
1 390 . 12 1 1 A 31 31 MET H H 31 7.570 7.670 -0.100 1
1 391 . 12 1 1 A 31 31 MET HA H 31 4.290 4.381 -0.091 1
1 399 . 12 1 1 A 31 31 MET C C 31 175.700 176.274 -0.574 1
1 400 . 12 1 1 A 31 31 MET CA C 31 56.800 55.743 1.057 1
1 401 . 12 1 1 A 31 31 MET CB C 31 33.300 32.241 1.059 1
1 404 . 12 1 1 A 31 31 MET N N 31 117.500 116.107 1.393 1
1 405 . 12 1 1 A 32 32 GLY H H 32 7.990 7.963 0.027 1
1 406 . 12 1 1 A 32 32 GLY HA2 H 32 4.270 4.031 0.239 1
1 407 . 12 1 1 A 32 32 GLY HA3 H 32 3.630 4.036 -0.406 1
1 408 . 12 1 1 A 32 32 GLY C C 32 173.600 174.235 -0.635 1
1 409 . 12 1 1 A 32 32 GLY CA C 32 44.200 44.873 -0.673 1
1 410 . 12 1 1 A 32 32 GLY N N 32 104.400 105.733 -1.333 1
1 411 . 12 1 1 A 33 33 ILE H H 33 7.140 7.694 -0.554 1
1 412 . 12 1 1 A 33 33 ILE HA H 33 4.120 4.152 -0.032 1
1 422 . 12 1 1 A 33 33 ILE C C 33 172.400 174.970 -2.570 1
1 423 . 12 1 1 A 33 33 ILE CA C 33 61.700 61.042 0.658 1
1 424 . 12 1 1 A 33 33 ILE CB C 33 37.200 38.135 -0.935 1
1 428 . 12 1 1 A 33 33 ILE N N 33 120.800 122.760 -1.960 1
1 429 . 12 1 1 A 34 34 THR H H 34 6.930 8.495 -1.565 1
1 430 . 12 1 1 A 34 34 THR HA H 34 4.590 5.076 -0.486 1
1 435 . 12 1 1 A 34 34 THR C C 34 174.400 173.746 0.654 1
1 436 . 12 1 1 A 34 34 THR CA C 34 58.300 59.470 -1.170 1
1 437 . 12 1 1 A 34 34 THR CB C 34 72.200 71.829 0.371 1
1 439 . 12 1 1 A 34 34 THR N N 34 113.300 117.603 -4.303 1
1 440 . 12 1 1 A 35 35 ARG H H 35 8.760 8.591 0.169 1
1 441 . 12 1 1 A 35 35 ARG HA H 35 3.520 3.903 -0.383 1
1 448 . 12 1 1 A 35 35 ARG C C 35 176.800 176.947 -0.147 1
1 449 . 12 1 1 A 35 35 ARG CA C 35 58.700 58.033 0.667 1
1 450 . 12 1 1 A 35 35 ARG CB C 35 29.700 29.539 0.161 1
1 453 . 12 1 1 A 35 35 ARG N N 35 121.300 121.688 -0.388 1
1 454 . 12 1 1 A 36 36 GLY H H 36 8.950 9.409 -0.459 1
1 455 . 12 1 1 A 36 36 GLY HA2 H 36 4.460 3.985 0.475 1
1 456 . 12 1 1 A 36 36 GLY HA3 H 36 3.560 3.991 -0.431 1
1 457 . 12 1 1 A 36 36 GLY C C 36 173.900 174.193 -0.293 1
1 458 . 12 1 1 A 36 36 GLY CA C 36 44.700 45.062 -0.362 1
1 459 . 12 1 1 A 36 36 GLY N N 36 114.200 112.155 2.045 1
1 460 . 12 1 1 A 37 37 CYS H H 37 7.950 7.551 0.399 1
1 461 . 12 1 1 A 37 37 CYS HA H 37 4.550 4.708 -0.158 1
1 464 . 12 1 1 A 37 37 CYS C C 37 172.900 174.670 -1.770 1
1 465 . 12 1 1 A 37 37 CYS CA C 37 59.200 58.605 0.595 1
1 466 . 12 1 1 A 37 37 CYS CB C 37 28.000 29.308 -1.308 1
1 467 . 12 1 1 A 37 37 CYS N N 37 118.400 119.910 -1.510 1
1 468 . 12 1 1 A 38 38 GLU H H 38 8.540 8.569 -0.029 1
1 469 . 12 1 1 A 38 38 GLU HA H 38 5.160 4.992 0.168 1
1 474 . 12 1 1 A 38 38 GLU C C 38 176.000 176.030 -0.030 1
1 475 . 12 1 1 A 38 38 GLU CA C 38 55.300 56.359 -1.059 1
1 476 . 12 1 1 A 38 38 GLU CB C 38 31.500 31.290 0.210 1
1 478 . 12 1 1 A 38 38 GLU N N 38 123.100 122.962 0.138 1
1 479 . 12 1 1 A 39 39 ILE H H 39 9.360 9.385 -0.025 1
1 480 . 12 1 1 A 39 39 ILE HA H 39 4.600 5.000 -0.400 1
1 490 . 12 1 1 A 39 39 ILE C C 39 173.700 174.804 -1.104 1
1 491 . 12 1 1 A 39 39 ILE CA C 39 60.500 60.393 0.107 1
1 492 . 12 1 1 A 39 39 ILE CB C 39 41.300 41.419 -0.119 1
1 496 . 12 1 1 A 39 39 ILE N N 39 124.000 123.516 0.484 1
1 497 . 12 1 1 A 40 40 TYR H H 40 8.540 8.981 -0.441 1
1 498 . 12 1 1 A 40 40 TYR HA H 40 5.340 6.052 -0.712 1
1 505 . 12 1 1 A 40 40 TYR C C 40 175.000 174.853 0.147 1
1 506 . 12 1 1 A 40 40 TYR CA C 40 55.900 55.262 0.638 1
1 507 . 12 1 1 A 40 40 TYR CB C 40 40.900 41.773 -0.873 1
1 510 . 12 1 1 A 40 40 TYR N N 40 127.000 124.086 2.914 1
1 511 . 12 1 1 A 41 41 ILE H H 41 7.850 8.665 -0.815 1
1 512 . 12 1 1 A 41 41 ILE HA H 41 3.910 3.891 0.019 1
1 522 . 12 1 1 A 41 41 ILE C C 41 173.600 176.008 -2.408 1
1 523 . 12 1 1 A 41 41 ILE CA C 41 61.500 62.144 -0.644 1
1 524 . 12 1 1 A 41 41 ILE CB C 41 35.800 37.337 -1.537 1
1 528 . 12 1 1 A 41 41 ILE N N 41 127.800 124.616 3.184 1
1 529 . 12 1 1 A 42 42 ARG H H 42 8.460 8.781 -0.321 1
1 530 . 12 1 1 A 42 42 ARG HA H 42 4.110 4.091 0.019 1
1 537 . 12 1 1 A 42 42 ARG C C 42 176.500 175.456 1.044 1
1 538 . 12 1 1 A 42 42 ARG CA C 42 57.700 57.865 -0.165 1
1 539 . 12 1 1 A 42 42 ARG CB C 42 31.400 31.131 0.269 1
1 542 . 12 1 1 A 42 42 ARG N N 42 128.100 129.783 -1.683 1
1 543 . 12 1 1 A 43 43 LYS H H 43 7.920 7.765 0.155 1
1 544 . 12 1 1 A 43 43 LYS HA H 43 4.530 4.886 -0.356 1
1 553 . 12 1 1 A 43 43 LYS C C 43 173.100 174.600 -1.500 1
1 554 . 12 1 1 A 43 43 LYS CA C 43 56.400 55.337 1.063 1
1 555 . 12 1 1 A 43 43 LYS CB C 43 36.100 36.526 -0.426 1
1 559 . 12 1 1 A 43 43 LYS N N 43 116.400 116.749 -0.349 1
1 560 . 12 1 1 A 44 44 VAL H H 44 8.450 8.921 -0.471 1
1 561 . 12 1 1 A 44 44 VAL HA H 44 4.260 4.731 -0.471 1
1 569 . 12 1 1 A 44 44 VAL C C 44 175.000 175.570 -0.570 1
1 570 . 12 1 1 A 44 44 VAL CA C 44 61.500 60.820 0.680 1
1 571 . 12 1 1 A 44 44 VAL CB C 44 34.200 34.133 0.067 1
1 574 . 12 1 1 A 44 44 VAL N N 44 123.900 123.046 0.854 1
1 575 . 12 1 1 A 45 45 ALA H H 45 7.550 8.347 -0.797 1
1 576 . 12 1 1 A 45 45 ALA HA H 45 4.480 4.395 0.085 1
1 580 . 12 1 1 A 45 45 ALA CA C 45 51.500 50.660 0.840 1
1 581 . 12 1 1 A 45 45 ALA CB C 45 17.600 17.592 0.008 1
1 582 . 12 1 1 A 45 45 ALA N N 45 129.600 130.157 -0.557 1
1 583 . 12 1 1 A 46 46 PRO HA H 46 4.290 4.373 -0.083 1
1 590 . 12 1 1 A 46 46 PRO C C 46 177.800 176.984 0.816 1
1 591 . 12 1 1 A 46 46 PRO CA C 46 65.500 64.668 0.832 1
1 592 . 12 1 1 A 46 46 PRO CB C 46 31.600 32.021 -0.421 1
1 595 . 12 1 1 A 47 47 LEU H H 47 8.330 7.602 0.728 1
1 596 . 12 1 1 A 47 47 LEU HA H 47 4.330 4.361 -0.031 1
1 606 . 12 1 1 A 47 47 LEU C C 47 178.000 177.940 0.060 1
1 607 . 12 1 1 A 47 47 LEU CA C 47 55.300 53.962 1.338 1
1 608 . 12 1 1 A 47 47 LEU CB C 47 40.300 41.793 -1.493 1
1 612 . 12 1 1 A 47 47 LEU N N 47 115.100 114.369 0.731 1
1 613 . 12 1 1 A 48 48 GLY H H 48 8.420 9.239 -0.819 1
1 614 . 12 1 1 A 48 48 GLY HA2 H 48 4.090 3.930 0.160 1
1 615 . 12 1 1 A 48 48 GLY HA3 H 48 3.490 3.931 -0.441 1
1 616 . 12 1 1 A 48 48 GLY C C 48 171.900 173.051 -1.151 1
1 617 . 12 1 1 A 48 48 GLY CA C 48 45.500 45.406 0.094 1
1 618 . 12 1 1 A 48 48 GLY N N 48 107.400 110.434 -3.034 1
1 619 . 12 1 1 A 49 49 ASP H H 49 6.850 7.884 -1.034 1
1 620 . 12 1 1 A 49 49 ASP HA H 49 5.050 5.021 0.029 1
1 623 . 12 1 1 A 49 49 ASP CA C 49 50.200 50.590 -0.390 1
1 624 . 12 1 1 A 49 49 ASP CB C 49 45.300 43.606 1.694 1
1 625 . 12 1 1 A 49 49 ASP N N 49 116.000 121.812 -5.812 1
1 626 . 12 1 1 A 50 50 PRO HA H 50 5.450 4.656 0.794 1
1 633 . 12 1 1 A 50 50 PRO C C 50 174.900 176.172 -1.272 1
1 634 . 12 1 1 A 50 50 PRO CA C 50 63.900 62.257 1.643 1
1 635 . 12 1 1 A 50 50 PRO CB C 50 35.600 33.197 2.403 1
1 638 . 12 1 1 A 51 51 ILE H H 51 8.980 8.641 0.339 1
1 639 . 12 1 1 A 51 51 ILE HA H 51 4.400 4.819 -0.419 1
1 649 . 12 1 1 A 51 51 ILE C C 51 174.500 174.364 0.136 1
1 650 . 12 1 1 A 51 51 ILE CA C 51 61.100 58.594 2.506 1
1 651 . 12 1 1 A 51 51 ILE CB C 51 40.900 40.856 0.044 1
1 655 . 12 1 1 A 51 51 ILE N N 51 118.100 116.545 1.555 1
1 656 . 12 1 1 A 52 52 GLN H H 52 9.060 9.132 -0.072 1
1 657 . 12 1 1 A 52 52 GLN HA H 52 5.160 4.994 0.166 1
1 664 . 12 1 1 A 52 52 GLN C C 52 175.800 175.555 0.245 1
1 665 . 12 1 1 A 52 52 GLN CA C 52 54.900 55.406 -0.506 1
1 666 . 12 1 1 A 52 52 GLN CB C 52 29.600 30.013 -0.413 1
1 668 . 12 1 1 A 52 52 GLN N N 52 126.100 122.975 3.125 1
1 670 . 12 1 1 A 53 53 ILE H H 53 9.080 9.705 -0.625 1
1 671 . 12 1 1 A 53 53 ILE HA H 53 5.440 4.873 0.567 1
1 681 . 12 1 1 A 53 53 ILE C C 53 174.000 173.510 0.490 1
1 682 . 12 1 1 A 53 53 ILE CA C 53 58.700 58.748 -0.048 1
1 683 . 12 1 1 A 53 53 ILE CB C 53 41.500 41.730 -0.230 1
1 687 . 12 1 1 A 53 53 ILE N N 53 117.600 119.257 -1.657 1
1 688 . 12 1 1 A 54 54 ASN H H 54 9.360 8.231 1.129 1
1 689 . 12 1 1 A 54 54 ASN HA H 54 5.840 5.508 0.332 1
1 694 . 12 1 1 A 54 54 ASN C C 54 174.800 174.135 0.665 1
1 695 . 12 1 1 A 54 54 ASN CA C 54 52.300 51.729 0.571 1
1 696 . 12 1 1 A 54 54 ASN CB C 54 42.200 40.705 1.495 1
1 697 . 12 1 1 A 54 54 ASN N N 54 120.100 121.533 -1.433 1
1 699 . 12 1 1 A 55 55 VAL H H 55 8.900 9.104 -0.204 1
1 700 . 12 1 1 A 55 55 VAL HA H 55 4.480 4.597 -0.117 1
1 708 . 12 1 1 A 55 55 VAL C C 55 174.400 175.740 -1.340 1
1 709 . 12 1 1 A 55 55 VAL CA C 55 60.800 61.138 -0.338 1
1 710 . 12 1 1 A 55 55 VAL CB C 55 34.300 34.546 -0.246 1
1 713 . 12 1 1 A 55 55 VAL N N 55 124.400 125.628 -1.228 1
1 714 . 12 1 1 A 56 56 ARG H H 56 9.680 9.547 0.133 1
1 715 . 12 1 1 A 56 56 ARG HA H 56 3.880 4.060 -0.180 1
1 722 . 12 1 1 A 56 56 ARG C C 56 175.000 176.334 -1.334 1
1 723 . 12 1 1 A 56 56 ARG CA C 56 57.200 57.394 -0.194 1
1 724 . 12 1 1 A 56 56 ARG CB C 56 28.400 28.327 0.073 1
1 727 . 12 1 1 A 56 56 ARG N N 56 125.100 127.467 -2.367 1
1 728 . 12 1 1 A 57 57 GLY H H 57 8.130 8.533 -0.403 1
1 729 . 12 1 1 A 57 57 GLY HA2 H 57 4.130 3.707 0.423 1
1 730 . 12 1 1 A 57 57 GLY HA3 H 57 3.610 3.783 -0.173 1
1 731 . 12 1 1 A 57 57 GLY C C 57 174.300 173.342 0.958 1
1 732 . 12 1 1 A 57 57 GLY CA C 57 45.300 45.239 0.061 1
1 733 . 12 1 1 A 57 57 GLY N N 57 103.500 105.570 -2.070 1
1 734 . 12 1 1 A 58 58 TYR H H 58 8.180 8.237 -0.057 1
1 735 . 12 1 1 A 58 58 TYR HA H 58 4.750 4.686 0.064 1
1 742 . 12 1 1 A 58 58 TYR C C 58 174.500 174.822 -0.322 1
1 743 . 12 1 1 A 58 58 TYR CA C 58 56.600 57.645 -1.045 1
1 744 . 12 1 1 A 58 58 TYR CB C 58 39.500 40.393 -0.893 1
1 747 . 12 1 1 A 58 58 TYR N N 58 121.300 119.484 1.816 1
1 748 . 12 1 1 A 59 59 GLU H H 59 8.480 8.861 -0.381 1
1 749 . 12 1 1 A 59 59 GLU HA H 59 5.120 5.000 0.120 1
1 754 . 12 1 1 A 59 59 GLU C C 59 178.400 175.816 2.584 1
1 755 . 12 1 1 A 59 59 GLU CA C 59 55.200 55.675 -0.475 1
1 756 . 12 1 1 A 59 59 GLU CB C 59 30.400 30.150 0.250 1
1 758 . 12 1 1 A 59 59 GLU N N 59 122.400 121.989 0.411 1
1 759 . 12 1 1 A 60 60 LEU H H 60 8.900 9.460 -0.560 1
1 760 . 12 1 1 A 60 60 LEU HA H 60 4.830 5.103 -0.273 1
1 770 . 12 1 1 A 60 60 LEU C C 60 175.100 175.724 -0.624 1
1 771 . 12 1 1 A 60 60 LEU CA C 60 53.800 53.359 0.441 1
1 772 . 12 1 1 A 60 60 LEU CB C 60 46.200 45.150 1.050 1
1 776 . 12 1 1 A 60 60 LEU N N 60 124.600 127.205 -2.605 1
1 777 . 12 1 1 A 61 61 SER H H 61 8.390 9.010 -0.620 1
1 778 . 12 1 1 A 61 61 SER HA H 61 5.150 5.443 -0.293 1
1 781 . 12 1 1 A 61 61 SER C C 61 173.300 172.914 0.386 1
1 782 . 12 1 1 A 61 61 SER CA C 61 56.600 56.666 -0.066 1
1 783 . 12 1 1 A 61 61 SER CB C 61 63.900 64.887 -0.987 1
1 784 . 12 1 1 A 61 61 SER N N 61 116.100 118.674 -2.574 1
1 785 . 12 1 1 A 62 62 LEU H H 62 9.190 9.073 0.117 1
1 786 . 12 1 1 A 62 62 LEU HA H 62 4.700 4.913 -0.213 1
1 796 . 12 1 1 A 62 62 LEU C C 62 175.800 176.775 -0.975 1
1 797 . 12 1 1 A 62 62 LEU CA C 62 53.000 53.302 -0.302 1
1 798 . 12 1 1 A 62 62 LEU CB C 62 45.900 44.308 1.592 1
1 802 . 12 1 1 A 62 62 LEU N N 62 126.800 129.139 -2.339 1
1 803 . 12 1 1 A 63 63 ARG H H 63 8.670 8.881 -0.211 1
1 804 . 12 1 1 A 63 63 ARG HA H 63 4.640 4.341 0.299 1
1 811 . 12 1 1 A 63 63 ARG C C 63 176.000 177.738 -1.738 1
1 812 . 12 1 1 A 63 63 ARG CA C 63 53.700 56.383 -2.683 1
1 813 . 12 1 1 A 63 63 ARG CB C 63 29.100 31.046 -1.946 1
1 816 . 12 1 1 A 63 63 ARG N N 63 120.600 121.909 -1.309 1
1 817 . 12 1 1 A 64 64 LYS H H 64 8.900 8.786 0.114 1
1 818 . 12 1 1 A 64 64 LYS HA H 64 3.800 4.019 -0.219 1
1 827 . 12 1 1 A 64 64 LYS C C 64 177.100 178.307 -1.207 1
1 828 . 12 1 1 A 64 64 LYS CA C 64 60.200 58.962 1.238 1
1 829 . 12 1 1 A 64 64 LYS CB C 64 32.300 31.945 0.355 1
1 833 . 12 1 1 A 64 64 LYS N N 64 124.600 122.684 1.916 1
1 834 . 12 1 1 A 65 65 SER H H 65 8.380 8.049 0.331 1
1 835 . 12 1 1 A 65 65 SER HA H 65 4.130 4.126 0.004 1
1 838 . 12 1 1 A 65 65 SER C C 65 176.000 176.496 -0.496 1
1 839 . 12 1 1 A 65 65 SER CA C 65 60.300 61.838 -1.538 1
1 840 . 12 1 1 A 65 65 SER CB C 65 61.900 62.714 -0.814 1
1 841 . 12 1 1 A 65 65 SER N N 65 110.900 117.369 -6.469 1
1 842 . 12 1 1 A 66 66 ALA H H 66 6.910 7.672 -0.762 1
1 843 . 12 1 1 A 66 66 ALA HA H 66 4.290 4.158 0.132 1
1 847 . 12 1 1 A 66 66 ALA C C 66 178.800 179.406 -0.606 1
1 848 . 12 1 1 A 66 66 ALA CA C 66 54.000 54.949 -0.949 1
1 849 . 12 1 1 A 66 66 ALA CB C 66 18.800 18.398 0.402 1
1 850 . 12 1 1 A 66 66 ALA N N 66 122.600 123.501 -0.901 1
1 851 . 12 1 1 A 67 67 ALA H H 67 8.050 7.844 0.206 1
1 852 . 12 1 1 A 67 67 ALA HA H 67 3.850 3.969 -0.119 1
1 856 . 12 1 1 A 67 67 ALA C C 67 178.800 179.726 -0.926 1
1 857 . 12 1 1 A 67 67 ALA CA C 67 54.900 55.198 -0.298 1
1 858 . 12 1 1 A 67 67 ALA CB C 67 18.700 18.666 0.034 1
1 859 . 12 1 1 A 67 67 ALA N N 67 118.800 120.518 -1.718 1
1 860 . 12 1 1 A 68 68 GLU H H 68 7.910 8.327 -0.417 1
1 861 . 12 1 1 A 68 68 GLU HA H 68 4.150 4.117 0.033 1
1 866 . 12 1 1 A 68 68 GLU C C 68 175.900 177.221 -1.321 1
1 867 . 12 1 1 A 68 68 GLU CA C 68 57.200 58.200 -1.000 1
1 868 . 12 1 1 A 68 68 GLU CB C 68 29.800 28.352 1.448 1
1 870 . 12 1 1 A 68 68 GLU N N 68 113.100 115.864 -2.764 1
1 871 . 12 1 1 A 69 69 MET H H 69 7.360 7.639 -0.279 1
1 872 . 12 1 1 A 69 69 MET HA H 69 4.590 4.587 0.003 1
1 880 . 12 1 1 A 69 69 MET C C 69 174.400 175.501 -1.101 1
1 881 . 12 1 1 A 69 69 MET CA C 69 53.800 55.344 -1.544 1
1 882 . 12 1 1 A 69 69 MET CB C 69 32.400 32.611 -0.211 1
1 885 . 12 1 1 A 69 69 MET N N 69 114.100 117.727 -3.627 1
1 886 . 12 1 1 A 70 70 ILE H H 70 7.310 7.363 -0.053 1
1 887 . 12 1 1 A 70 70 ILE HA H 70 4.260 4.361 -0.101 1
1 897 . 12 1 1 A 70 70 ILE C C 70 174.100 174.932 -0.832 1
1 898 . 12 1 1 A 70 70 ILE CA C 70 60.900 61.114 -0.214 1
1 899 . 12 1 1 A 70 70 ILE CB C 70 38.700 38.970 -0.270 1
1 903 . 12 1 1 A 70 70 ILE N N 70 120.300 118.655 1.645 1
1 904 . 12 1 1 A 71 71 GLU H H 71 8.910 9.331 -0.421 1
1 905 . 12 1 1 A 71 71 GLU HA H 71 4.750 5.212 -0.462 1
1 910 . 12 1 1 A 71 71 GLU C C 71 177.100 176.008 1.092 1
1 911 . 12 1 1 A 71 71 GLU CA C 71 55.900 55.379 0.521 1
1 912 . 12 1 1 A 71 71 GLU CB C 71 30.600 31.895 -1.295 1
1 914 . 12 1 1 A 71 71 GLU N N 71 129.500 127.946 1.554 1
1 915 . 12 1 1 A 72 72 VAL H H 72 8.880 9.082 -0.202 1
1 916 . 12 1 1 A 72 72 VAL HA H 72 5.520 5.317 0.203 1
1 924 . 12 1 1 A 72 72 VAL C C 72 173.200 173.672 -0.472 1
1 925 . 12 1 1 A 72 72 VAL CA C 72 58.500 58.828 -0.328 1
1 926 . 12 1 1 A 72 72 VAL CB C 72 36.200 36.356 -0.156 1
1 929 . 12 1 1 A 72 72 VAL N N 72 119.400 120.056 -0.656 1
1 930 . 12 1 1 A 73 73 GLU H H 73 8.720 8.873 -0.153 1
1 931 . 12 1 1 A 73 73 GLU HA H 73 4.750 4.776 -0.026 1
1 936 . 12 1 1 A 73 73 GLU C C 73 175.300 175.119 0.181 1
1 937 . 12 1 1 A 73 73 GLU CA C 73 54.000 54.570 -0.570 1
1 938 . 12 1 1 A 73 73 GLU CB C 73 33.300 33.674 -0.374 1
1 940 . 12 1 1 A 73 73 GLU N N 73 116.600 120.758 -4.158 1
1 941 . 12 1 1 A 74 74 LEU H H 74 8.780 8.438 0.342 1
1 942 . 12 1 1 A 74 74 LEU HA H 74 4.330 4.341 -0.011 1
1 952 . 12 1 1 A 74 74 LEU C C 74 176.400 176.956 -0.556 1
1 953 . 12 1 1 A 74 74 LEU CA C 74 55.400 55.167 0.233 1
1 954 . 12 1 1 A 74 74 LEU CB C 74 42.600 41.811 0.789 1
1 958 . 12 1 1 A 74 74 LEU N N 74 124.100 126.164 -2.064 1
1 959 . 12 1 1 A 75 75 GLU H H 75 8.450 8.882 -0.432 1
1 960 . 12 1 1 A 75 75 GLU HA H 75 4.350 4.582 -0.232 1
1 965 . 12 1 1 A 75 75 GLU C C 75 175.700 175.556 0.144 1
1 966 . 12 1 1 A 75 75 GLU CA C 75 55.800 56.574 -0.774 1
1 967 . 12 1 1 A 75 75 GLU CB C 75 30.500 29.630 0.870 1
1 969 . 12 1 1 A 75 75 GLU N N 75 123.500 124.894 -1.394 1
1 970 . 12 1 1 A 76 76 HIS H H 76 8.500 8.002 0.498 1
1 971 . 12 1 1 A 76 76 HIS HA H 76 4.590 4.696 -0.106 1
1 976 . 12 1 1 A 76 76 HIS C C 76 173.800 173.537 0.263 1
1 977 . 12 1 1 A 76 76 HIS CA C 76 55.700 55.531 0.169 1
1 978 . 12 1 1 A 76 76 HIS CB C 76 30.200 30.282 -0.082 1
1 981 . 12 1 1 A 76 76 HIS N N 76 120.800 126.402 -5.602 1
1 982 . 12 1 1 A 77 77 HIS H H 77 8.100 8.581 -0.481 1
1 983 . 12 1 1 A 77 77 HIS HA H 77 4.610 4.215 0.395 1
1 988 . 12 1 1 A 77 77 HIS C C 77 180.000 173.587 6.413 1
1 989 . 12 1 1 A 77 77 HIS CA C 77 56.400 57.556 -1.156 1
1 990 . 12 1 1 A 77 77 HIS CB C 77 29.900 30.173 -0.273 1
1 993 . 12 1 1 A 77 77 HIS N N 77 125.100 125.628 -0.528 1
1 994 . 12 1 1 A 78 78 HIS H H 78 8.250 8.750 -0.500 1
1 995 . 12 1 1 A 78 78 HIS HA H 78 4.620 4.704 -0.084 1
1 1000 . 12 1 1 A 78 78 HIS C C 78 180.000 174.478 5.522 1
1 1001 . 12 1 1 A 78 78 HIS CA C 78 56.400 54.191 2.209 1
1 1002 . 12 1 1 A 78 78 HIS CB C 78 29.900 33.526 -3.626 1
1 1005 . 12 1 1 A 78 78 HIS N N 78 119.400 125.087 -5.687 1
1 1006 . 12 1 1 A 79 79 HIS H H 79 8.250 8.701 -0.451 1
1 1007 . 12 1 1 A 79 79 HIS HA H 79 4.620 5.000 -0.380 1
1 1012 . 12 1 1 A 79 79 HIS C C 79 180.000 174.052 5.948 1
1 1013 . 12 1 1 A 79 79 HIS CA C 79 56.400 54.432 1.968 1
1 1014 . 12 1 1 A 79 79 HIS CB C 79 29.900 31.424 -1.524 1
1 1017 . 12 1 1 A 79 79 HIS N N 79 119.400 118.658 0.742 1
1 1018 . 12 1 1 A 80 80 HIS H H 80 8.250 8.653 -0.403 1
1 1019 . 12 1 1 A 80 80 HIS HA H 80 4.620 4.797 -0.177 1
1 1024 . 12 1 1 A 80 80 HIS C C 80 180.000 173.102 6.898 1
1 1025 . 12 1 1 A 80 80 HIS CA C 80 56.400 55.818 0.582 1
1 1026 . 12 1 1 A 80 80 HIS CB C 80 29.900 33.527 -3.627 1
1 1029 . 12 1 1 A 80 80 HIS N N 80 119.400 121.954 -2.554 1
1 16 . 13 1 1 A 2 2 PHE H H 2 9.360 9.067 0.293 1
1 17 . 13 1 1 A 2 2 PHE HA H 2 4.960 5.236 -0.276 1
1 25 . 13 1 1 A 2 2 PHE C C 2 173.300 173.747 -0.447 1
1 26 . 13 1 1 A 2 2 PHE CA C 2 56.400 55.797 0.603 1
1 27 . 13 1 1 A 2 2 PHE CB C 2 38.500 41.192 -2.692 1
1 31 . 13 1 1 A 2 2 PHE N N 2 127.300 122.972 4.328 1
1 32 . 13 1 1 A 3 3 SER H H 3 9.150 8.913 0.237 1
1 33 . 13 1 1 A 3 3 SER HA H 3 5.590 4.614 0.976 1
1 36 . 13 1 1 A 3 3 SER C C 3 176.100 175.204 0.896 1
1 37 . 13 1 1 A 3 3 SER CA C 3 56.500 56.998 -0.498 1
1 38 . 13 1 1 A 3 3 SER CB C 3 68.100 65.908 2.192 1
1 39 . 13 1 1 A 3 3 SER N N 3 124.000 123.586 0.414 1
1 40 . 13 1 1 A 4 4 LEU H H 4 8.540 9.012 -0.472 1
1 41 . 13 1 1 A 4 4 LEU HA H 4 3.770 4.006 -0.236 1
1 51 . 13 1 1 A 4 4 LEU C C 4 177.200 178.269 -1.069 1
1 52 . 13 1 1 A 4 4 LEU CA C 4 57.300 57.743 -0.443 1
1 53 . 13 1 1 A 4 4 LEU CB C 4 41.600 41.743 -0.143 1
1 57 . 13 1 1 A 4 4 LEU N N 4 120.800 126.789 -5.989 1
1 58 . 13 1 1 A 5 5 ARG H H 5 7.150 8.544 -1.394 1
1 59 . 13 1 1 A 5 5 ARG HA H 5 3.830 4.099 -0.269 1
1 66 . 13 1 1 A 5 5 ARG C C 5 175.900 176.906 -1.006 1
1 67 . 13 1 1 A 5 5 ARG CA C 5 57.300 57.842 -0.542 1
1 68 . 13 1 1 A 5 5 ARG CB C 5 29.400 29.234 0.166 1
1 71 . 13 1 1 A 5 5 ARG N N 5 115.100 117.487 -2.387 1
1 72 . 13 1 1 A 6 6 ASP H H 6 7.600 7.966 -0.366 1
1 73 . 13 1 1 A 6 6 ASP HA H 6 4.490 4.553 -0.063 1
1 76 . 13 1 1 A 6 6 ASP C C 6 175.700 176.055 -0.355 1
1 77 . 13 1 1 A 6 6 ASP CA C 6 54.700 54.748 -0.048 1
1 78 . 13 1 1 A 6 6 ASP CB C 6 42.000 41.455 0.545 1
1 79 . 13 1 1 A 6 6 ASP N N 6 117.000 118.415 -1.415 1
1 80 . 13 1 1 A 7 7 ALA H H 7 6.990 7.325 -0.335 1
1 81 . 13 1 1 A 7 7 ALA HA H 7 4.390 4.357 0.033 1
1 85 . 13 1 1 A 7 7 ALA C C 7 175.300 176.956 -1.656 1
1 86 . 13 1 1 A 7 7 ALA CA C 7 51.600 51.749 -0.149 1
1 87 . 13 1 1 A 7 7 ALA CB C 7 19.500 20.570 -1.070 1
1 88 . 13 1 1 A 7 7 ALA N N 7 122.200 121.182 1.018 1
1 89 . 13 1 1 A 8 8 LYS H H 8 8.270 8.278 -0.008 1
1 90 . 13 1 1 A 8 8 LYS HA H 8 4.480 4.701 -0.221 1
1 99 . 13 1 1 A 8 8 LYS C C 8 175.600 175.998 -0.398 1
1 100 . 13 1 1 A 8 8 LYS CA C 8 53.800 54.271 -0.471 1
1 101 . 13 1 1 A 8 8 LYS CB C 8 34.600 34.905 -0.305 1
1 105 . 13 1 1 A 8 8 LYS N N 8 118.500 116.561 1.939 1
1 106 . 13 1 1 A 9 9 CYS H H 9 8.400 8.609 -0.209 1
1 107 . 13 1 1 A 9 9 CYS HA H 9 3.630 4.135 -0.505 1
1 110 . 13 1 1 A 9 9 CYS C C 9 175.700 176.073 -0.373 1
1 111 . 13 1 1 A 9 9 CYS CA C 9 60.300 60.552 -0.252 1
1 112 . 13 1 1 A 9 9 CYS CB C 9 26.700 27.969 -1.269 1
1 113 . 13 1 1 A 9 9 CYS N N 9 117.100 119.576 -2.476 1
1 114 . 13 1 1 A 10 10 GLY H H 10 8.950 8.578 0.372 1
1 115 . 13 1 1 A 10 10 GLY HA2 H 10 3.790 3.484 0.306 1
1 116 . 13 1 1 A 10 10 GLY HA3 H 10 4.350 3.832 0.518 1
1 117 . 13 1 1 A 10 10 GLY C C 10 174.600 173.852 0.748 1
1 118 . 13 1 1 A 10 10 GLY CA C 10 44.600 45.375 -0.775 1
1 119 . 13 1 1 A 10 10 GLY N N 10 114.200 112.230 1.970 1
1 120 . 13 1 1 A 11 11 GLN H H 11 7.750 7.651 0.099 1
1 121 . 13 1 1 A 11 11 GLN HA H 11 4.500 4.472 0.028 1
1 128 . 13 1 1 A 11 11 GLN C C 11 174.200 174.993 -0.793 1
1 129 . 13 1 1 A 11 11 GLN CA C 11 56.000 55.238 0.762 1
1 130 . 13 1 1 A 11 11 GLN CB C 11 29.400 29.804 -0.404 1
1 132 . 13 1 1 A 11 11 GLN N N 11 118.900 119.475 -0.575 1
1 134 . 13 1 1 A 12 12 THR H H 12 8.380 8.634 -0.254 1
1 135 . 13 1 1 A 12 12 THR HA H 12 5.330 5.059 0.271 1
1 140 . 13 1 1 A 12 12 THR C C 12 174.100 174.284 -0.184 1
1 141 . 13 1 1 A 12 12 THR CA C 12 62.100 62.104 -0.004 1
1 142 . 13 1 1 A 12 12 THR CB C 12 69.600 69.409 0.191 1
1 144 . 13 1 1 A 12 12 THR N N 12 116.600 117.974 -1.374 1
1 145 . 13 1 1 A 13 13 VAL H H 13 9.190 9.137 0.053 1
1 146 . 13 1 1 A 13 13 VAL HA H 13 5.140 5.168 -0.028 1
1 154 . 13 1 1 A 13 13 VAL C C 13 173.200 174.674 -1.474 1
1 155 . 13 1 1 A 13 13 VAL CA C 13 57.300 59.096 -1.796 1
1 156 . 13 1 1 A 13 13 VAL CB C 13 35.100 34.754 0.346 1
1 159 . 13 1 1 A 13 13 VAL N N 13 117.500 121.249 -3.749 1
1 160 . 13 1 1 A 14 14 LYS H H 14 9.000 9.189 -0.189 1
1 161 . 13 1 1 A 14 14 LYS HA H 14 5.350 5.197 0.153 1
1 170 . 13 1 1 A 14 14 LYS C C 14 176.900 175.718 1.182 1
1 171 . 13 1 1 A 14 14 LYS CA C 14 53.800 54.546 -0.746 1
1 172 . 13 1 1 A 14 14 LYS CB C 14 35.500 35.396 0.104 1
1 176 . 13 1 1 A 14 14 LYS N N 14 120.300 121.532 -1.232 1
1 177 . 13 1 1 A 15 15 VAL H H 15 8.620 8.645 -0.025 1
1 178 . 13 1 1 A 15 15 VAL HA H 15 3.880 4.062 -0.182 1
1 186 . 13 1 1 A 15 15 VAL C C 15 176.700 176.900 -0.200 1
1 187 . 13 1 1 A 15 15 VAL CA C 15 64.300 63.554 0.746 1
1 188 . 13 1 1 A 15 15 VAL CB C 15 31.500 31.963 -0.463 1
1 191 . 13 1 1 A 15 15 VAL N N 15 123.100 123.379 -0.279 1
1 192 . 13 1 1 A 16 16 VAL H H 16 9.580 9.375 0.205 1
1 193 . 13 1 1 A 16 16 VAL HA H 16 4.100 4.451 -0.351 1
1 201 . 13 1 1 A 16 16 VAL C C 16 175.300 176.151 -0.851 1
1 202 . 13 1 1 A 16 16 VAL CA C 16 63.400 62.213 1.187 1
1 203 . 13 1 1 A 16 16 VAL CB C 16 33.700 33.512 0.188 1
1 206 . 13 1 1 A 16 16 VAL N N 16 130.100 120.707 9.393 1
1 207 . 13 1 1 A 17 17 LYS H H 17 7.490 7.505 -0.015 1
1 208 . 13 1 1 A 17 17 LYS HA H 17 4.380 4.790 -0.410 1
1 217 . 13 1 1 A 17 17 LYS C C 17 172.900 175.033 -2.133 1
1 218 . 13 1 1 A 17 17 LYS CA C 17 56.200 54.991 1.209 1
1 219 . 13 1 1 A 17 17 LYS CB C 17 35.500 37.549 -2.049 1
1 223 . 13 1 1 A 17 17 LYS N N 17 116.800 120.043 -3.243 1
1 224 . 13 1 1 A 18 18 LEU H H 18 8.520 8.871 -0.351 1
1 225 . 13 1 1 A 18 18 LEU HA H 18 4.890 5.028 -0.138 1
1 235 . 13 1 1 A 18 18 LEU C C 18 175.600 175.843 -0.243 1
1 236 . 13 1 1 A 18 18 LEU CA C 18 53.800 53.694 0.106 1
1 237 . 13 1 1 A 18 18 LEU CB C 18 42.500 44.820 -2.320 1
1 241 . 13 1 1 A 18 18 LEU N N 18 124.100 121.680 2.420 1
1 242 . 13 1 1 A 19 19 HIS H H 19 8.790 9.849 -1.059 1
1 243 . 13 1 1 A 19 19 HIS HA H 19 4.620 4.781 -0.161 1
1 248 . 13 1 1 A 19 19 HIS C C 19 173.000 174.876 -1.876 1
1 249 . 13 1 1 A 19 19 HIS CA C 19 55.500 55.397 0.103 1
1 250 . 13 1 1 A 19 19 HIS CB C 19 32.800 31.349 1.451 1
1 253 . 13 1 1 A 19 19 HIS N N 19 122.700 123.139 -0.439 1
1 254 . 13 1 1 A 20 20 GLY H H 20 8.100 8.578 -0.478 1
1 255 . 13 1 1 A 20 20 GLY HA2 H 20 3.920 4.119 -0.199 1
1 256 . 13 1 1 A 20 20 GLY HA3 H 20 4.510 4.123 0.387 1
1 257 . 13 1 1 A 20 20 GLY C C 20 174.500 174.039 0.461 1
1 258 . 13 1 1 A 20 20 GLY CA C 20 44.200 44.191 0.009 1
1 259 . 13 1 1 A 20 20 GLY N N 20 103.400 109.174 -5.774 1
1 260 . 13 1 1 A 21 21 THR H H 21 7.750 8.448 -0.698 1
1 261 . 13 1 1 A 21 21 THR HA H 21 4.450 4.630 -0.180 1
1 266 . 13 1 1 A 21 21 THR C C 21 175.400 175.808 -0.408 1
1 267 . 13 1 1 A 21 21 THR CA C 21 60.800 61.897 -1.097 1
1 268 . 13 1 1 A 21 21 THR CB C 21 70.900 69.061 1.839 1
1 270 . 13 1 1 A 21 21 THR N N 21 108.600 112.161 -3.561 1
1 271 . 13 1 1 A 22 22 GLY H H 22 8.780 7.870 0.910 1
1 272 . 13 1 1 A 22 22 GLY HA2 H 22 3.750 3.998 -0.248 1
1 273 . 13 1 1 A 22 22 GLY HA3 H 22 4.030 3.998 0.032 1
1 274 . 13 1 1 A 22 22 GLY C C 22 176.200 175.576 0.624 1
1 275 . 13 1 1 A 22 22 GLY CA C 22 47.300 45.672 1.628 1
1 276 . 13 1 1 A 22 22 GLY N N 22 108.600 111.125 -2.525 1
1 277 . 13 1 1 A 23 23 ALA H H 23 8.480 8.005 0.475 1
1 278 . 13 1 1 A 23 23 ALA HA H 23 4.080 3.981 0.099 1
1 282 . 13 1 1 A 23 23 ALA C C 23 180.100 179.680 0.420 1
1 283 . 13 1 1 A 23 23 ALA CA C 23 54.700 54.783 -0.083 1
1 284 . 13 1 1 A 23 23 ALA CB C 23 18.400 18.647 -0.247 1
1 285 . 13 1 1 A 23 23 ALA N N 23 123.300 124.270 -0.970 1
1 286 . 13 1 1 A 24 24 LEU H H 24 7.830 8.138 -0.308 1
1 287 . 13 1 1 A 24 24 LEU HA H 24 4.120 3.964 0.156 1
1 297 . 13 1 1 A 24 24 LEU C C 24 178.600 179.304 -0.704 1
1 298 . 13 1 1 A 24 24 LEU CA C 24 57.800 57.939 -0.139 1
1 299 . 13 1 1 A 24 24 LEU CB C 24 41.100 41.276 -0.176 1
1 303 . 13 1 1 A 24 24 LEU N N 24 120.400 118.823 1.577 1
1 304 . 13 1 1 A 25 25 LYS H H 25 7.960 8.289 -0.329 1
1 305 . 13 1 1 A 25 25 LYS HA H 25 3.750 3.847 -0.097 1
1 314 . 13 1 1 A 25 25 LYS C C 25 178.300 179.077 -0.777 1
1 315 . 13 1 1 A 25 25 LYS CA C 25 60.400 60.401 -0.001 1
1 316 . 13 1 1 A 25 25 LYS CB C 25 32.000 32.215 -0.215 1
1 320 . 13 1 1 A 25 25 LYS N N 25 118.000 117.215 0.785 1
1 321 . 13 1 1 A 26 26 ARG H H 26 7.890 8.221 -0.331 1
1 322 . 13 1 1 A 26 26 ARG HA H 26 3.970 3.955 0.015 1
1 329 . 13 1 1 A 26 26 ARG C C 26 177.700 178.800 -1.100 1
1 330 . 13 1 1 A 26 26 ARG CA C 26 58.700 59.698 -0.998 1
1 331 . 13 1 1 A 26 26 ARG CB C 26 30.000 29.942 0.058 1
1 334 . 13 1 1 A 26 26 ARG N N 26 117.100 119.581 -2.481 1
1 335 . 13 1 1 A 27 27 ARG H H 27 7.660 7.836 -0.176 1
1 336 . 13 1 1 A 27 27 ARG HA H 27 4.100 4.076 0.024 1
1 343 . 13 1 1 A 27 27 ARG C C 27 179.000 178.797 0.203 1
1 344 . 13 1 1 A 27 27 ARG CA C 27 59.100 58.759 0.341 1
1 345 . 13 1 1 A 27 27 ARG CB C 27 29.800 29.747 0.053 1
1 348 . 13 1 1 A 27 27 ARG N N 27 118.600 119.016 -0.416 1
1 349 . 13 1 1 A 28 28 ILE H H 28 7.970 8.624 -0.654 1
1 350 . 13 1 1 A 28 28 ILE HA H 28 3.740 3.627 0.113 1
1 360 . 13 1 1 A 28 28 ILE C C 28 178.700 177.951 0.749 1
1 361 . 13 1 1 A 28 28 ILE CA C 28 64.800 65.032 -0.232 1
1 362 . 13 1 1 A 28 28 ILE CB C 28 38.100 37.795 0.305 1
1 366 . 13 1 1 A 28 28 ILE N N 28 119.400 119.712 -0.312 1
1 367 . 13 1 1 A 29 29 MET H H 29 8.420 8.420 0.000 1
1 368 . 13 1 1 A 29 29 MET HA H 29 4.370 4.467 -0.097 1
1 376 . 13 1 1 A 29 29 MET C C 29 181.400 178.079 3.321 1
1 377 . 13 1 1 A 29 29 MET CA C 29 59.100 58.950 0.150 1
1 378 . 13 1 1 A 29 29 MET CB C 29 32.800 32.826 -0.026 1
1 381 . 13 1 1 A 29 29 MET N N 29 119.900 118.551 1.349 1
1 382 . 13 1 1 A 30 30 ASP H H 30 8.650 9.122 -0.472 1
1 383 . 13 1 1 A 30 30 ASP HA H 30 4.440 4.437 0.003 1
1 386 . 13 1 1 A 30 30 ASP C C 30 178.200 177.949 0.251 1
1 387 . 13 1 1 A 30 30 ASP CA C 30 56.700 57.239 -0.539 1
1 388 . 13 1 1 A 30 30 ASP CB C 30 39.900 41.581 -1.681 1
1 389 . 13 1 1 A 30 30 ASP N N 30 121.800 120.454 1.346 1
1 390 . 13 1 1 A 31 31 MET H H 31 7.570 7.793 -0.223 1
1 391 . 13 1 1 A 31 31 MET HA H 31 4.290 4.520 -0.230 1
1 399 . 13 1 1 A 31 31 MET C C 31 175.700 176.282 -0.582 1
1 400 . 13 1 1 A 31 31 MET CA C 31 56.800 55.950 0.850 1
1 401 . 13 1 1 A 31 31 MET CB C 31 33.300 33.260 0.040 1
1 404 . 13 1 1 A 31 31 MET N N 31 117.500 116.120 1.380 1
1 405 . 13 1 1 A 32 32 GLY H H 32 7.990 8.150 -0.160 1
1 406 . 13 1 1 A 32 32 GLY HA2 H 32 4.270 4.028 0.242 1
1 407 . 13 1 1 A 32 32 GLY HA3 H 32 3.630 4.035 -0.405 1
1 408 . 13 1 1 A 32 32 GLY C C 32 173.600 174.414 -0.814 1
1 409 . 13 1 1 A 32 32 GLY CA C 32 44.200 44.892 -0.692 1
1 410 . 13 1 1 A 32 32 GLY N N 32 104.400 106.062 -1.662 1
1 411 . 13 1 1 A 33 33 ILE H H 33 7.140 7.774 -0.634 1
1 412 . 13 1 1 A 33 33 ILE HA H 33 4.120 4.130 -0.010 1
1 422 . 13 1 1 A 33 33 ILE C C 33 172.400 174.622 -2.222 1
1 423 . 13 1 1 A 33 33 ILE CA C 33 61.700 60.536 1.164 1
1 424 . 13 1 1 A 33 33 ILE CB C 33 37.200 36.715 0.485 1
1 428 . 13 1 1 A 33 33 ILE N N 33 120.800 122.942 -2.142 1
1 429 . 13 1 1 A 34 34 THR H H 34 6.930 8.711 -1.781 1
1 430 . 13 1 1 A 34 34 THR HA H 34 4.590 5.167 -0.577 1
1 435 . 13 1 1 A 34 34 THR C C 34 174.400 173.859 0.541 1
1 436 . 13 1 1 A 34 34 THR CA C 34 58.300 59.232 -0.932 1
1 437 . 13 1 1 A 34 34 THR CB C 34 72.200 71.189 1.011 1
1 439 . 13 1 1 A 34 34 THR N N 34 113.300 118.087 -4.787 1
1 440 . 13 1 1 A 35 35 ARG H H 35 8.760 8.526 0.234 1
1 441 . 13 1 1 A 35 35 ARG HA H 35 3.520 4.011 -0.491 1
1 448 . 13 1 1 A 35 35 ARG C C 35 176.800 176.922 -0.122 1
1 449 . 13 1 1 A 35 35 ARG CA C 35 58.700 57.908 0.792 1
1 450 . 13 1 1 A 35 35 ARG CB C 35 29.700 29.380 0.320 1
1 453 . 13 1 1 A 35 35 ARG N N 35 121.300 121.374 -0.074 1
1 454 . 13 1 1 A 36 36 GLY H H 36 8.950 8.828 0.122 1
1 455 . 13 1 1 A 36 36 GLY HA2 H 36 4.460 4.021 0.439 1
1 456 . 13 1 1 A 36 36 GLY HA3 H 36 3.560 4.024 -0.464 1
1 457 . 13 1 1 A 36 36 GLY C C 36 173.900 174.630 -0.730 1
1 458 . 13 1 1 A 36 36 GLY CA C 36 44.700 45.109 -0.409 1
1 459 . 13 1 1 A 36 36 GLY N N 36 114.200 112.175 2.025 1
1 460 . 13 1 1 A 37 37 CYS H H 37 7.950 7.704 0.246 1
1 461 . 13 1 1 A 37 37 CYS HA H 37 4.550 4.495 0.055 1
1 464 . 13 1 1 A 37 37 CYS C C 37 172.900 174.393 -1.493 1
1 465 . 13 1 1 A 37 37 CYS CA C 37 59.200 59.406 -0.206 1
1 466 . 13 1 1 A 37 37 CYS CB C 37 28.000 28.582 -0.582 1
1 467 . 13 1 1 A 37 37 CYS N N 37 118.400 120.294 -1.894 1
1 468 . 13 1 1 A 38 38 GLU H H 38 8.540 8.524 0.016 1
1 469 . 13 1 1 A 38 38 GLU HA H 38 5.160 4.716 0.444 1
1 474 . 13 1 1 A 38 38 GLU C C 38 176.000 175.387 0.613 1
1 475 . 13 1 1 A 38 38 GLU CA C 38 55.300 56.026 -0.726 1
1 476 . 13 1 1 A 38 38 GLU CB C 38 31.500 30.524 0.976 1
1 478 . 13 1 1 A 38 38 GLU N N 38 123.100 124.037 -0.937 1
1 479 . 13 1 1 A 39 39 ILE H H 39 9.360 9.700 -0.340 1
1 480 . 13 1 1 A 39 39 ILE HA H 39 4.600 4.713 -0.113 1
1 490 . 13 1 1 A 39 39 ILE C C 39 173.700 174.326 -0.626 1
1 491 . 13 1 1 A 39 39 ILE CA C 39 60.500 60.064 0.436 1
1 492 . 13 1 1 A 39 39 ILE CB C 39 41.300 38.901 2.399 1
1 496 . 13 1 1 A 39 39 ILE N N 39 124.000 126.494 -2.494 1
1 497 . 13 1 1 A 40 40 TYR H H 40 8.540 8.569 -0.029 1
1 498 . 13 1 1 A 40 40 TYR HA H 40 5.340 4.774 0.566 1
1 505 . 13 1 1 A 40 40 TYR C C 40 175.000 174.635 0.365 1
1 506 . 13 1 1 A 40 40 TYR CA C 40 55.900 56.599 -0.699 1
1 507 . 13 1 1 A 40 40 TYR CB C 40 40.900 39.053 1.847 1
1 510 . 13 1 1 A 40 40 TYR N N 40 127.000 128.776 -1.776 1
1 511 . 13 1 1 A 41 41 ILE H H 41 7.850 8.845 -0.995 1
1 512 . 13 1 1 A 41 41 ILE HA H 41 3.910 3.923 -0.013 1
1 522 . 13 1 1 A 41 41 ILE C C 41 173.600 175.672 -2.072 1
1 523 . 13 1 1 A 41 41 ILE CA C 41 61.500 61.293 0.207 1
1 524 . 13 1 1 A 41 41 ILE CB C 41 35.800 36.890 -1.090 1
1 528 . 13 1 1 A 41 41 ILE N N 41 127.800 128.468 -0.668 1
1 529 . 13 1 1 A 42 42 ARG H H 42 8.460 9.068 -0.608 1
1 530 . 13 1 1 A 42 42 ARG HA H 42 4.110 4.148 -0.038 1
1 537 . 13 1 1 A 42 42 ARG C C 42 176.500 175.314 1.186 1
1 538 . 13 1 1 A 42 42 ARG CA C 42 57.700 57.795 -0.095 1
1 539 . 13 1 1 A 42 42 ARG CB C 42 31.400 31.199 0.201 1
1 542 . 13 1 1 A 42 42 ARG N N 42 128.100 129.702 -1.602 1
1 543 . 13 1 1 A 43 43 LYS H H 43 7.920 7.633 0.287 1
1 544 . 13 1 1 A 43 43 LYS HA H 43 4.530 4.721 -0.191 1
1 553 . 13 1 1 A 43 43 LYS C C 43 173.100 174.773 -1.673 1
1 554 . 13 1 1 A 43 43 LYS CA C 43 56.400 55.063 1.337 1
1 555 . 13 1 1 A 43 43 LYS CB C 43 36.100 36.363 -0.263 1
1 559 . 13 1 1 A 43 43 LYS N N 43 116.400 117.193 -0.793 1
1 560 . 13 1 1 A 44 44 VAL H H 44 8.450 8.678 -0.228 1
1 561 . 13 1 1 A 44 44 VAL HA H 44 4.260 4.570 -0.310 1
1 569 . 13 1 1 A 44 44 VAL C C 44 175.000 175.074 -0.074 1
1 570 . 13 1 1 A 44 44 VAL CA C 44 61.500 60.607 0.893 1
1 571 . 13 1 1 A 44 44 VAL CB C 44 34.200 34.365 -0.165 1
1 574 . 13 1 1 A 44 44 VAL N N 44 123.900 123.110 0.790 1
1 575 . 13 1 1 A 45 45 ALA H H 45 7.550 8.094 -0.544 1
1 576 . 13 1 1 A 45 45 ALA HA H 45 4.480 4.481 -0.001 1
1 580 . 13 1 1 A 45 45 ALA CA C 45 51.500 50.567 0.933 1
1 581 . 13 1 1 A 45 45 ALA CB C 45 17.600 17.854 -0.254 1
1 582 . 13 1 1 A 45 45 ALA N N 45 129.600 130.163 -0.563 1
1 583 . 13 1 1 A 46 46 PRO HA H 46 4.290 4.353 -0.063 1
1 590 . 13 1 1 A 46 46 PRO C C 46 177.800 177.008 0.792 1
1 591 . 13 1 1 A 46 46 PRO CA C 46 65.500 64.583 0.917 1
1 592 . 13 1 1 A 46 46 PRO CB C 46 31.600 32.024 -0.424 1
1 595 . 13 1 1 A 47 47 LEU H H 47 8.330 7.603 0.727 1
1 596 . 13 1 1 A 47 47 LEU HA H 47 4.330 4.237 0.093 1
1 606 . 13 1 1 A 47 47 LEU C C 47 178.000 177.843 0.157 1
1 607 . 13 1 1 A 47 47 LEU CA C 47 55.300 54.146 1.154 1
1 608 . 13 1 1 A 47 47 LEU CB C 47 40.300 41.329 -1.029 1
1 612 . 13 1 1 A 47 47 LEU N N 47 115.100 114.875 0.225 1
1 613 . 13 1 1 A 48 48 GLY H H 48 8.420 8.485 -0.065 1
1 614 . 13 1 1 A 48 48 GLY HA2 H 48 4.090 3.952 0.138 1
1 615 . 13 1 1 A 48 48 GLY HA3 H 48 3.490 3.955 -0.465 1
1 616 . 13 1 1 A 48 48 GLY C C 48 171.900 173.474 -1.574 1
1 617 . 13 1 1 A 48 48 GLY CA C 48 45.500 46.056 -0.556 1
1 618 . 13 1 1 A 48 48 GLY N N 48 107.400 109.768 -2.368 1
1 619 . 13 1 1 A 49 49 ASP H H 49 6.850 7.957 -1.107 1
1 620 . 13 1 1 A 49 49 ASP HA H 49 5.050 5.153 -0.103 1
1 623 . 13 1 1 A 49 49 ASP CA C 49 50.200 51.444 -1.244 1
1 624 . 13 1 1 A 49 49 ASP CB C 49 45.300 42.297 3.003 1
1 625 . 13 1 1 A 49 49 ASP N N 49 116.000 121.416 -5.416 1
1 626 . 13 1 1 A 50 50 PRO HA H 50 5.450 4.736 0.714 1
1 633 . 13 1 1 A 50 50 PRO C C 50 174.900 175.616 -0.716 1
1 634 . 13 1 1 A 50 50 PRO CA C 50 63.900 62.432 1.468 1
1 635 . 13 1 1 A 50 50 PRO CB C 50 35.600 32.425 3.175 1
1 638 . 13 1 1 A 51 51 ILE H H 51 8.980 8.890 0.090 1
1 639 . 13 1 1 A 51 51 ILE HA H 51 4.400 4.577 -0.177 1
1 649 . 13 1 1 A 51 51 ILE C C 51 174.500 175.174 -0.674 1
1 650 . 13 1 1 A 51 51 ILE CA C 51 61.100 60.332 0.768 1
1 651 . 13 1 1 A 51 51 ILE CB C 51 40.900 38.843 2.057 1
1 655 . 13 1 1 A 51 51 ILE N N 51 118.100 121.601 -3.501 1
1 656 . 13 1 1 A 52 52 GLN H H 52 9.060 9.239 -0.179 1
1 657 . 13 1 1 A 52 52 GLN HA H 52 5.160 4.991 0.169 1
1 664 . 13 1 1 A 52 52 GLN C C 52 175.800 175.495 0.305 1
1 665 . 13 1 1 A 52 52 GLN CA C 52 54.900 55.474 -0.574 1
1 666 . 13 1 1 A 52 52 GLN CB C 52 29.600 29.907 -0.307 1
1 668 . 13 1 1 A 52 52 GLN N N 52 126.100 127.020 -0.920 1
1 670 . 13 1 1 A 53 53 ILE H H 53 9.080 9.362 -0.282 1
1 671 . 13 1 1 A 53 53 ILE HA H 53 5.440 4.985 0.455 1
1 681 . 13 1 1 A 53 53 ILE C C 53 174.000 173.880 0.120 1
1 682 . 13 1 1 A 53 53 ILE CA C 53 58.700 58.796 -0.096 1
1 683 . 13 1 1 A 53 53 ILE CB C 53 41.500 41.429 0.071 1
1 687 . 13 1 1 A 53 53 ILE N N 53 117.600 119.147 -1.547 1
1 688 . 13 1 1 A 54 54 ASN H H 54 9.360 9.525 -0.165 1
1 689 . 13 1 1 A 54 54 ASN HA H 54 5.840 5.278 0.562 1
1 694 . 13 1 1 A 54 54 ASN C C 54 174.800 174.129 0.671 1
1 695 . 13 1 1 A 54 54 ASN CA C 54 52.300 51.977 0.323 1
1 696 . 13 1 1 A 54 54 ASN CB C 54 42.200 40.157 2.043 1
1 697 . 13 1 1 A 54 54 ASN N N 54 120.100 122.079 -1.979 1
1 699 . 13 1 1 A 55 55 VAL H H 55 8.900 8.919 -0.019 1
1 700 . 13 1 1 A 55 55 VAL HA H 55 4.480 4.584 -0.104 1
1 708 . 13 1 1 A 55 55 VAL C C 55 174.400 176.140 -1.740 1
1 709 . 13 1 1 A 55 55 VAL CA C 55 60.800 61.063 -0.263 1
1 710 . 13 1 1 A 55 55 VAL CB C 55 34.300 33.825 0.475 1
1 713 . 13 1 1 A 55 55 VAL N N 55 124.400 127.269 -2.869 1
1 714 . 13 1 1 A 56 56 ARG H H 56 9.680 8.877 0.803 1
1 715 . 13 1 1 A 56 56 ARG HA H 56 3.880 3.905 -0.025 1
1 722 . 13 1 1 A 56 56 ARG C C 56 175.000 176.528 -1.528 1
1 723 . 13 1 1 A 56 56 ARG CA C 56 57.200 58.598 -1.398 1
1 724 . 13 1 1 A 56 56 ARG CB C 56 28.400 28.829 -0.429 1
1 727 . 13 1 1 A 56 56 ARG N N 56 125.100 123.112 1.988 1
1 728 . 13 1 1 A 57 57 GLY H H 57 8.130 8.368 -0.238 1
1 729 . 13 1 1 A 57 57 GLY HA2 H 57 4.130 4.120 0.010 1
1 730 . 13 1 1 A 57 57 GLY HA3 H 57 3.610 4.130 -0.520 1
1 731 . 13 1 1 A 57 57 GLY C C 57 174.300 172.994 1.306 1
1 732 . 13 1 1 A 57 57 GLY CA C 57 45.300 45.747 -0.447 1
1 733 . 13 1 1 A 57 57 GLY N N 57 103.500 106.467 -2.967 1
1 734 . 13 1 1 A 58 58 TYR H H 58 8.180 8.116 0.064 1
1 735 . 13 1 1 A 58 58 TYR HA H 58 4.750 4.946 -0.196 1
1 742 . 13 1 1 A 58 58 TYR C C 58 174.500 174.014 0.486 1
1 743 . 13 1 1 A 58 58 TYR CA C 58 56.600 56.532 0.068 1
1 744 . 13 1 1 A 58 58 TYR CB C 58 39.500 41.762 -2.262 1
1 747 . 13 1 1 A 58 58 TYR N N 58 121.300 120.568 0.732 1
1 748 . 13 1 1 A 59 59 GLU H H 59 8.480 8.639 -0.159 1
1 749 . 13 1 1 A 59 59 GLU HA H 59 5.120 4.953 0.167 1
1 754 . 13 1 1 A 59 59 GLU C C 59 178.400 175.569 2.831 1
1 755 . 13 1 1 A 59 59 GLU CA C 59 55.200 56.357 -1.157 1
1 756 . 13 1 1 A 59 59 GLU CB C 59 30.400 31.105 -0.705 1
1 758 . 13 1 1 A 59 59 GLU N N 59 122.400 125.423 -3.023 1
1 759 . 13 1 1 A 60 60 LEU H H 60 8.900 9.957 -1.057 1
1 760 . 13 1 1 A 60 60 LEU HA H 60 4.830 5.072 -0.242 1
1 770 . 13 1 1 A 60 60 LEU C C 60 175.100 175.034 0.066 1
1 771 . 13 1 1 A 60 60 LEU CA C 60 53.800 53.389 0.411 1
1 772 . 13 1 1 A 60 60 LEU CB C 60 46.200 43.628 2.572 1
1 776 . 13 1 1 A 60 60 LEU N N 60 124.600 126.628 -2.028 1
1 777 . 13 1 1 A 61 61 SER H H 61 8.390 8.759 -0.369 1
1 778 . 13 1 1 A 61 61 SER HA H 61 5.150 4.932 0.218 1
1 781 . 13 1 1 A 61 61 SER C C 61 173.300 173.450 -0.150 1
1 782 . 13 1 1 A 61 61 SER CA C 61 56.600 56.685 -0.085 1
1 783 . 13 1 1 A 61 61 SER CB C 61 63.900 64.163 -0.263 1
1 784 . 13 1 1 A 61 61 SER N N 61 116.100 120.304 -4.204 1
1 785 . 13 1 1 A 62 62 LEU H H 62 9.190 9.060 0.130 1
1 786 . 13 1 1 A 62 62 LEU HA H 62 4.700 4.921 -0.221 1
1 796 . 13 1 1 A 62 62 LEU C C 62 175.800 176.689 -0.889 1
1 797 . 13 1 1 A 62 62 LEU CA C 62 53.000 53.346 -0.346 1
1 798 . 13 1 1 A 62 62 LEU CB C 62 45.900 44.420 1.480 1
1 802 . 13 1 1 A 62 62 LEU N N 62 126.800 128.973 -2.173 1
1 803 . 13 1 1 A 63 63 ARG H H 63 8.670 8.984 -0.314 1
1 804 . 13 1 1 A 63 63 ARG HA H 63 4.640 4.462 0.178 1
1 811 . 13 1 1 A 63 63 ARG C C 63 176.000 178.063 -2.063 1
1 812 . 13 1 1 A 63 63 ARG CA C 63 53.700 55.520 -1.820 1
1 813 . 13 1 1 A 63 63 ARG CB C 63 29.100 31.220 -2.120 1
1 816 . 13 1 1 A 63 63 ARG N N 63 120.600 121.718 -1.118 1
1 817 . 13 1 1 A 64 64 LYS H H 64 8.900 8.966 -0.066 1
1 818 . 13 1 1 A 64 64 LYS HA H 64 3.800 3.854 -0.054 1
1 827 . 13 1 1 A 64 64 LYS C C 64 177.100 178.238 -1.138 1
1 828 . 13 1 1 A 64 64 LYS CA C 64 60.200 59.322 0.878 1
1 829 . 13 1 1 A 64 64 LYS CB C 64 32.300 32.112 0.188 1
1 833 . 13 1 1 A 64 64 LYS N N 64 124.600 124.443 0.157 1
1 834 . 13 1 1 A 65 65 SER H H 65 8.380 8.083 0.297 1
1 835 . 13 1 1 A 65 65 SER HA H 65 4.130 4.102 0.028 1
1 838 . 13 1 1 A 65 65 SER C C 65 176.000 176.632 -0.632 1
1 839 . 13 1 1 A 65 65 SER CA C 65 60.300 62.043 -1.743 1
1 840 . 13 1 1 A 65 65 SER CB C 65 61.900 62.819 -0.919 1
1 841 . 13 1 1 A 65 65 SER N N 65 110.900 117.260 -6.360 1
1 842 . 13 1 1 A 66 66 ALA H H 66 6.910 7.666 -0.756 1
1 843 . 13 1 1 A 66 66 ALA HA H 66 4.290 4.169 0.121 1
1 847 . 13 1 1 A 66 66 ALA C C 66 178.800 179.520 -0.720 1
1 848 . 13 1 1 A 66 66 ALA CA C 66 54.000 54.942 -0.942 1
1 849 . 13 1 1 A 66 66 ALA CB C 66 18.800 18.343 0.457 1
1 850 . 13 1 1 A 66 66 ALA N N 66 122.600 123.617 -1.017 1
1 851 . 13 1 1 A 67 67 ALA H H 67 8.050 7.816 0.234 1
1 852 . 13 1 1 A 67 67 ALA HA H 67 3.850 3.994 -0.144 1
1 856 . 13 1 1 A 67 67 ALA C C 67 178.800 179.027 -0.227 1
1 857 . 13 1 1 A 67 67 ALA CA C 67 54.900 55.029 -0.129 1
1 858 . 13 1 1 A 67 67 ALA CB C 67 18.700 18.298 0.402 1
1 859 . 13 1 1 A 67 67 ALA N N 67 118.800 120.365 -1.565 1
1 860 . 13 1 1 A 68 68 GLU H H 68 7.910 8.036 -0.126 1
1 861 . 13 1 1 A 68 68 GLU HA H 68 4.150 4.084 0.066 1
1 866 . 13 1 1 A 68 68 GLU C C 68 175.900 176.988 -1.088 1
1 867 . 13 1 1 A 68 68 GLU CA C 68 57.200 57.136 0.064 1
1 868 . 13 1 1 A 68 68 GLU CB C 68 29.800 29.316 0.484 1
1 870 . 13 1 1 A 68 68 GLU N N 68 113.100 115.240 -2.140 1
1 871 . 13 1 1 A 69 69 MET H H 69 7.360 7.822 -0.462 1
1 872 . 13 1 1 A 69 69 MET HA H 69 4.590 4.532 0.058 1
1 880 . 13 1 1 A 69 69 MET C C 69 174.400 176.260 -1.860 1
1 881 . 13 1 1 A 69 69 MET CA C 69 53.800 56.105 -2.305 1
1 882 . 13 1 1 A 69 69 MET CB C 69 32.400 33.849 -1.449 1
1 885 . 13 1 1 A 69 69 MET N N 69 114.100 117.216 -3.116 1
1 886 . 13 1 1 A 70 70 ILE H H 70 7.310 7.241 0.069 1
1 887 . 13 1 1 A 70 70 ILE HA H 70 4.260 4.291 -0.031 1
1 897 . 13 1 1 A 70 70 ILE C C 70 174.100 175.108 -1.008 1
1 898 . 13 1 1 A 70 70 ILE CA C 70 60.900 61.034 -0.134 1
1 899 . 13 1 1 A 70 70 ILE CB C 70 38.700 36.781 1.919 1
1 903 . 13 1 1 A 70 70 ILE N N 70 120.300 119.686 0.614 1
1 904 . 13 1 1 A 71 71 GLU H H 71 8.910 8.933 -0.023 1
1 905 . 13 1 1 A 71 71 GLU HA H 71 4.750 4.698 0.052 1
1 910 . 13 1 1 A 71 71 GLU C C 71 177.100 176.426 0.674 1
1 911 . 13 1 1 A 71 71 GLU CA C 71 55.900 56.526 -0.626 1
1 912 . 13 1 1 A 71 71 GLU CB C 71 30.600 30.595 0.005 1
1 914 . 13 1 1 A 71 71 GLU N N 71 129.500 128.717 0.783 1
1 915 . 13 1 1 A 72 72 VAL H H 72 8.880 9.004 -0.124 1
1 916 . 13 1 1 A 72 72 VAL HA H 72 5.520 5.412 0.108 1
1 924 . 13 1 1 A 72 72 VAL C C 72 173.200 173.935 -0.735 1
1 925 . 13 1 1 A 72 72 VAL CA C 72 58.500 59.097 -0.597 1
1 926 . 13 1 1 A 72 72 VAL CB C 72 36.200 36.315 -0.115 1
1 929 . 13 1 1 A 72 72 VAL N N 72 119.400 120.265 -0.865 1
1 930 . 13 1 1 A 73 73 GLU H H 73 8.720 8.841 -0.121 1
1 931 . 13 1 1 A 73 73 GLU HA H 73 4.750 5.092 -0.342 1
1 936 . 13 1 1 A 73 73 GLU C C 73 175.300 173.916 1.384 1
1 937 . 13 1 1 A 73 73 GLU CA C 73 54.000 55.244 -1.244 1
1 938 . 13 1 1 A 73 73 GLU CB C 73 33.300 33.623 -0.323 1
1 940 . 13 1 1 A 73 73 GLU N N 73 116.600 121.408 -4.808 1
1 941 . 13 1 1 A 74 74 LEU H H 74 8.780 8.958 -0.178 1
1 942 . 13 1 1 A 74 74 LEU HA H 74 4.330 4.988 -0.658 1
1 952 . 13 1 1 A 74 74 LEU C C 74 176.400 176.192 0.208 1
1 953 . 13 1 1 A 74 74 LEU CA C 74 55.400 53.749 1.651 1
1 954 . 13 1 1 A 74 74 LEU CB C 74 42.600 44.481 -1.881 1
1 958 . 13 1 1 A 74 74 LEU N N 74 124.100 128.288 -4.188 1
1 959 . 13 1 1 A 75 75 GLU H H 75 8.450 8.649 -0.199 1
1 960 . 13 1 1 A 75 75 GLU HA H 75 4.350 4.424 -0.074 1
1 965 . 13 1 1 A 75 75 GLU C C 75 175.700 175.449 0.251 1
1 966 . 13 1 1 A 75 75 GLU CA C 75 55.800 56.772 -0.972 1
1 967 . 13 1 1 A 75 75 GLU CB C 75 30.500 30.748 -0.248 1
1 969 . 13 1 1 A 75 75 GLU N N 75 123.500 127.550 -4.050 1
1 970 . 13 1 1 A 76 76 HIS H H 76 8.500 8.845 -0.345 1
1 971 . 13 1 1 A 76 76 HIS HA H 76 4.590 4.960 -0.370 1
1 976 . 13 1 1 A 76 76 HIS C C 76 173.800 175.476 -1.676 1
1 977 . 13 1 1 A 76 76 HIS CA C 76 55.700 53.937 1.763 1
1 978 . 13 1 1 A 76 76 HIS CB C 76 30.200 33.049 -2.849 1
1 981 . 13 1 1 A 76 76 HIS N N 76 120.800 124.680 -3.880 1
1 982 . 13 1 1 A 77 77 HIS H H 77 8.100 8.753 -0.653 1
1 983 . 13 1 1 A 77 77 HIS HA H 77 4.610 4.351 0.259 1
1 988 . 13 1 1 A 77 77 HIS C C 77 180.000 174.669 5.331 1
1 989 . 13 1 1 A 77 77 HIS CA C 77 56.400 58.826 -2.426 1
1 990 . 13 1 1 A 77 77 HIS CB C 77 29.900 30.560 -0.660 1
1 993 . 13 1 1 A 77 77 HIS N N 77 125.100 122.772 2.328 1
1 994 . 13 1 1 A 78 78 HIS H H 78 8.250 7.919 0.331 1
1 995 . 13 1 1 A 78 78 HIS HA H 78 4.620 4.947 -0.327 1
1 1000 . 13 1 1 A 78 78 HIS C C 78 180.000 172.970 7.030 1
1 1001 . 13 1 1 A 78 78 HIS CA C 78 56.400 54.649 1.751 1
1 1002 . 13 1 1 A 78 78 HIS CB C 78 29.900 31.408 -1.508 1
1 1005 . 13 1 1 A 78 78 HIS N N 78 119.400 116.836 2.564 1
1 1006 . 13 1 1 A 79 79 HIS H H 79 8.250 9.049 -0.799 1
1 1007 . 13 1 1 A 79 79 HIS HA H 79 4.620 5.045 -0.425 1
1 1012 . 13 1 1 A 79 79 HIS C C 79 180.000 173.761 6.239 1
1 1013 . 13 1 1 A 79 79 HIS CA C 79 56.400 53.830 2.570 1
1 1014 . 13 1 1 A 79 79 HIS CB C 79 29.900 29.728 0.172 1
1 1017 . 13 1 1 A 79 79 HIS N N 79 119.400 128.479 -9.079 1
1 1018 . 13 1 1 A 80 80 HIS H H 80 8.250 7.966 0.284 1
1 1019 . 13 1 1 A 80 80 HIS HA H 80 4.620 4.679 -0.059 1
1 1024 . 13 1 1 A 80 80 HIS C C 80 180.000 173.971 6.029 1
1 1025 . 13 1 1 A 80 80 HIS CA C 80 56.400 56.078 0.322 1
1 1026 . 13 1 1 A 80 80 HIS CB C 80 29.900 32.930 -3.030 1
1 1029 . 13 1 1 A 80 80 HIS N N 80 119.400 124.113 -4.713 1
1 16 . 14 1 1 A 2 2 PHE H H 2 9.360 8.639 0.721 1
1 17 . 14 1 1 A 2 2 PHE HA H 2 4.960 5.295 -0.335 1
1 25 . 14 1 1 A 2 2 PHE C C 2 173.300 173.893 -0.593 1
1 26 . 14 1 1 A 2 2 PHE CA C 2 56.400 56.273 0.127 1
1 27 . 14 1 1 A 2 2 PHE CB C 2 38.500 41.702 -3.202 1
1 31 . 14 1 1 A 2 2 PHE N N 2 127.300 128.114 -0.814 1
1 32 . 14 1 1 A 3 3 SER H H 3 9.150 8.308 0.842 1
1 33 . 14 1 1 A 3 3 SER HA H 3 5.590 4.918 0.672 1
1 36 . 14 1 1 A 3 3 SER C C 3 176.100 174.996 1.104 1
1 37 . 14 1 1 A 3 3 SER CA C 3 56.500 57.312 -0.812 1
1 38 . 14 1 1 A 3 3 SER CB C 3 68.100 65.065 3.035 1
1 39 . 14 1 1 A 3 3 SER N N 3 124.000 124.243 -0.243 1
1 40 . 14 1 1 A 4 4 LEU H H 4 8.540 9.106 -0.566 1
1 41 . 14 1 1 A 4 4 LEU HA H 4 3.770 4.126 -0.356 1
1 51 . 14 1 1 A 4 4 LEU C C 4 177.200 177.809 -0.609 1
1 52 . 14 1 1 A 4 4 LEU CA C 4 57.300 58.008 -0.708 1
1 53 . 14 1 1 A 4 4 LEU CB C 4 41.600 41.836 -0.236 1
1 57 . 14 1 1 A 4 4 LEU N N 4 120.800 127.978 -7.178 1
1 58 . 14 1 1 A 5 5 ARG H H 5 7.150 7.795 -0.645 1
1 59 . 14 1 1 A 5 5 ARG HA H 5 3.830 4.003 -0.173 1
1 66 . 14 1 1 A 5 5 ARG C C 5 175.900 177.197 -1.297 1
1 67 . 14 1 1 A 5 5 ARG CA C 5 57.300 58.788 -1.488 1
1 68 . 14 1 1 A 5 5 ARG CB C 5 29.400 29.703 -0.303 1
1 71 . 14 1 1 A 5 5 ARG N N 5 115.100 119.436 -4.336 1
1 72 . 14 1 1 A 6 6 ASP H H 6 7.600 7.861 -0.261 1
1 73 . 14 1 1 A 6 6 ASP HA H 6 4.490 4.698 -0.208 1
1 76 . 14 1 1 A 6 6 ASP C C 6 175.700 175.737 -0.037 1
1 77 . 14 1 1 A 6 6 ASP CA C 6 54.700 52.812 1.888 1
1 78 . 14 1 1 A 6 6 ASP CB C 6 42.000 41.028 0.972 1
1 79 . 14 1 1 A 6 6 ASP N N 6 117.000 117.690 -0.690 1
1 80 . 14 1 1 A 7 7 ALA H H 7 6.990 7.098 -0.108 1
1 81 . 14 1 1 A 7 7 ALA HA H 7 4.390 4.523 -0.133 1
1 85 . 14 1 1 A 7 7 ALA C C 7 175.300 177.526 -2.226 1
1 86 . 14 1 1 A 7 7 ALA CA C 7 51.600 52.692 -1.092 1
1 87 . 14 1 1 A 7 7 ALA CB C 7 19.500 19.395 0.105 1
1 88 . 14 1 1 A 7 7 ALA N N 7 122.200 122.216 -0.016 1
1 89 . 14 1 1 A 8 8 LYS H H 8 8.270 8.646 -0.376 1
1 90 . 14 1 1 A 8 8 LYS HA H 8 4.480 4.325 0.155 1
1 99 . 14 1 1 A 8 8 LYS C C 8 175.600 176.144 -0.544 1
1 100 . 14 1 1 A 8 8 LYS CA C 8 53.800 56.125 -2.325 1
1 101 . 14 1 1 A 8 8 LYS CB C 8 34.600 32.996 1.604 1
1 105 . 14 1 1 A 8 8 LYS N N 8 118.500 121.975 -3.475 1
1 106 . 14 1 1 A 9 9 CYS H H 9 8.400 8.595 -0.195 1
1 107 . 14 1 1 A 9 9 CYS HA H 9 3.630 4.209 -0.579 1
1 110 . 14 1 1 A 9 9 CYS C C 9 175.700 175.327 0.373 1
1 111 . 14 1 1 A 9 9 CYS CA C 9 60.300 60.517 -0.217 1
1 112 . 14 1 1 A 9 9 CYS CB C 9 26.700 27.186 -0.486 1
1 113 . 14 1 1 A 9 9 CYS N N 9 117.100 121.090 -3.990 1
1 114 . 14 1 1 A 10 10 GLY H H 10 8.950 9.267 -0.317 1
1 115 . 14 1 1 A 10 10 GLY HA2 H 10 3.790 3.740 0.050 1
1 116 . 14 1 1 A 10 10 GLY HA3 H 10 4.350 3.888 0.462 1
1 117 . 14 1 1 A 10 10 GLY C C 10 174.600 174.426 0.174 1
1 118 . 14 1 1 A 10 10 GLY CA C 10 44.600 45.077 -0.477 1
1 119 . 14 1 1 A 10 10 GLY N N 10 114.200 113.105 1.095 1
1 120 . 14 1 1 A 11 11 GLN H H 11 7.750 7.230 0.520 1
1 121 . 14 1 1 A 11 11 GLN HA H 11 4.500 4.617 -0.117 1
1 128 . 14 1 1 A 11 11 GLN C C 11 174.200 174.729 -0.529 1
1 129 . 14 1 1 A 11 11 GLN CA C 11 56.000 54.732 1.268 1
1 130 . 14 1 1 A 11 11 GLN CB C 11 29.400 30.350 -0.950 1
1 132 . 14 1 1 A 11 11 GLN N N 11 118.900 119.337 -0.437 1
1 134 . 14 1 1 A 12 12 THR H H 12 8.380 8.709 -0.329 1
1 135 . 14 1 1 A 12 12 THR HA H 12 5.330 5.105 0.225 1
1 140 . 14 1 1 A 12 12 THR C C 12 174.100 174.312 -0.212 1
1 141 . 14 1 1 A 12 12 THR CA C 12 62.100 62.149 -0.049 1
1 142 . 14 1 1 A 12 12 THR CB C 12 69.600 70.246 -0.646 1
1 144 . 14 1 1 A 12 12 THR N N 12 116.600 117.482 -0.882 1
1 145 . 14 1 1 A 13 13 VAL H H 13 9.190 9.412 -0.222 1
1 146 . 14 1 1 A 13 13 VAL HA H 13 5.140 5.173 -0.033 1
1 154 . 14 1 1 A 13 13 VAL C C 13 173.200 173.610 -0.410 1
1 155 . 14 1 1 A 13 13 VAL CA C 13 57.300 59.083 -1.783 1
1 156 . 14 1 1 A 13 13 VAL CB C 13 35.100 34.935 0.165 1
1 159 . 14 1 1 A 13 13 VAL N N 13 117.500 121.684 -4.184 1
1 160 . 14 1 1 A 14 14 LYS H H 14 9.000 9.279 -0.279 1
1 161 . 14 1 1 A 14 14 LYS HA H 14 5.350 5.196 0.154 1
1 170 . 14 1 1 A 14 14 LYS C C 14 176.900 175.812 1.088 1
1 171 . 14 1 1 A 14 14 LYS CA C 14 53.800 54.541 -0.741 1
1 172 . 14 1 1 A 14 14 LYS CB C 14 35.500 35.143 0.357 1
1 176 . 14 1 1 A 14 14 LYS N N 14 120.300 122.522 -2.222 1
1 177 . 14 1 1 A 15 15 VAL H H 15 8.620 9.275 -0.655 1
1 178 . 14 1 1 A 15 15 VAL HA H 15 3.880 4.136 -0.256 1
1 186 . 14 1 1 A 15 15 VAL C C 15 176.700 176.923 -0.223 1
1 187 . 14 1 1 A 15 15 VAL CA C 15 64.300 63.715 0.585 1
1 188 . 14 1 1 A 15 15 VAL CB C 15 31.500 31.684 -0.184 1
1 191 . 14 1 1 A 15 15 VAL N N 15 123.100 127.477 -4.377 1
1 192 . 14 1 1 A 16 16 VAL H H 16 9.580 8.978 0.602 1
1 193 . 14 1 1 A 16 16 VAL HA H 16 4.100 4.456 -0.356 1
1 201 . 14 1 1 A 16 16 VAL C C 16 175.300 176.108 -0.808 1
1 202 . 14 1 1 A 16 16 VAL CA C 16 63.400 62.147 1.253 1
1 203 . 14 1 1 A 16 16 VAL CB C 16 33.700 33.583 0.117 1
1 206 . 14 1 1 A 16 16 VAL N N 16 130.100 120.909 9.191 1
1 207 . 14 1 1 A 17 17 LYS H H 17 7.490 7.708 -0.218 1
1 208 . 14 1 1 A 17 17 LYS HA H 17 4.380 4.702 -0.322 1
1 217 . 14 1 1 A 17 17 LYS C C 17 172.900 174.811 -1.911 1
1 218 . 14 1 1 A 17 17 LYS CA C 17 56.200 54.922 1.278 1
1 219 . 14 1 1 A 17 17 LYS CB C 17 35.500 36.850 -1.350 1
1 223 . 14 1 1 A 17 17 LYS N N 17 116.800 119.903 -3.103 1
1 224 . 14 1 1 A 18 18 LEU H H 18 8.520 8.854 -0.334 1
1 225 . 14 1 1 A 18 18 LEU HA H 18 4.890 4.881 0.009 1
1 235 . 14 1 1 A 18 18 LEU C C 18 175.600 176.140 -0.540 1
1 236 . 14 1 1 A 18 18 LEU CA C 18 53.800 53.917 -0.117 1
1 237 . 14 1 1 A 18 18 LEU CB C 18 42.500 43.195 -0.695 1
1 241 . 14 1 1 A 18 18 LEU N N 18 124.100 121.487 2.613 1
1 242 . 14 1 1 A 19 19 HIS H H 19 8.790 8.961 -0.171 1
1 243 . 14 1 1 A 19 19 HIS HA H 19 4.620 4.646 -0.026 1
1 248 . 14 1 1 A 19 19 HIS C C 19 173.000 177.016 -4.016 1
1 249 . 14 1 1 A 19 19 HIS CA C 19 55.500 57.394 -1.894 1
1 250 . 14 1 1 A 19 19 HIS CB C 19 32.800 29.283 3.517 1
1 253 . 14 1 1 A 19 19 HIS N N 19 122.700 122.910 -0.210 1
1 254 . 14 1 1 A 20 20 GLY H H 20 8.100 8.183 -0.083 1
1 255 . 14 1 1 A 20 20 GLY HA2 H 20 3.920 3.818 0.102 1
1 256 . 14 1 1 A 20 20 GLY HA3 H 20 4.510 3.830 0.680 1
1 257 . 14 1 1 A 20 20 GLY C C 20 174.500 174.339 0.161 1
1 258 . 14 1 1 A 20 20 GLY CA C 20 44.200 47.278 -3.078 1
1 259 . 14 1 1 A 20 20 GLY N N 20 103.400 108.073 -4.673 1
1 260 . 14 1 1 A 21 21 THR H H 21 7.750 7.824 -0.074 1
1 261 . 14 1 1 A 21 21 THR HA H 21 4.450 4.407 0.043 1
1 266 . 14 1 1 A 21 21 THR C C 21 175.400 174.393 1.007 1
1 267 . 14 1 1 A 21 21 THR CA C 21 60.800 63.074 -2.274 1
1 268 . 14 1 1 A 21 21 THR CB C 21 70.900 67.655 3.245 1
1 270 . 14 1 1 A 21 21 THR N N 21 108.600 109.757 -1.157 1
1 271 . 14 1 1 A 22 22 GLY H H 22 8.780 8.742 0.038 1
1 272 . 14 1 1 A 22 22 GLY HA2 H 22 3.750 3.892 -0.142 1
1 273 . 14 1 1 A 22 22 GLY HA3 H 22 4.030 3.894 0.136 1
1 274 . 14 1 1 A 22 22 GLY C C 22 176.200 175.519 0.681 1
1 275 . 14 1 1 A 22 22 GLY CA C 22 47.300 47.267 0.033 1
1 276 . 14 1 1 A 22 22 GLY N N 22 108.600 113.608 -5.008 1
1 277 . 14 1 1 A 23 23 ALA H H 23 8.480 8.794 -0.314 1
1 278 . 14 1 1 A 23 23 ALA HA H 23 4.080 4.041 0.039 1
1 282 . 14 1 1 A 23 23 ALA C C 23 180.100 180.037 0.063 1
1 283 . 14 1 1 A 23 23 ALA CA C 23 54.700 54.644 0.056 1
1 284 . 14 1 1 A 23 23 ALA CB C 23 18.400 18.646 -0.246 1
1 285 . 14 1 1 A 23 23 ALA N N 23 123.300 128.941 -5.641 1
1 286 . 14 1 1 A 24 24 LEU H H 24 7.830 8.016 -0.186 1
1 287 . 14 1 1 A 24 24 LEU HA H 24 4.120 4.025 0.095 1
1 297 . 14 1 1 A 24 24 LEU C C 24 178.600 179.221 -0.621 1
1 298 . 14 1 1 A 24 24 LEU CA C 24 57.800 57.662 0.138 1
1 299 . 14 1 1 A 24 24 LEU CB C 24 41.100 41.428 -0.328 1
1 303 . 14 1 1 A 24 24 LEU N N 24 120.400 119.370 1.030 1
1 304 . 14 1 1 A 25 25 LYS H H 25 7.960 8.247 -0.287 1
1 305 . 14 1 1 A 25 25 LYS HA H 25 3.750 3.831 -0.081 1
1 314 . 14 1 1 A 25 25 LYS C C 25 178.300 179.586 -1.286 1
1 315 . 14 1 1 A 25 25 LYS CA C 25 60.400 60.389 0.011 1
1 316 . 14 1 1 A 25 25 LYS CB C 25 32.000 32.242 -0.242 1
1 320 . 14 1 1 A 25 25 LYS N N 25 118.000 117.494 0.506 1
1 321 . 14 1 1 A 26 26 ARG H H 26 7.890 8.292 -0.402 1
1 322 . 14 1 1 A 26 26 ARG HA H 26 3.970 3.983 -0.013 1
1 329 . 14 1 1 A 26 26 ARG C C 26 177.700 178.744 -1.044 1
1 330 . 14 1 1 A 26 26 ARG CA C 26 58.700 59.762 -1.062 1
1 331 . 14 1 1 A 26 26 ARG CB C 26 30.000 30.209 -0.209 1
1 334 . 14 1 1 A 26 26 ARG N N 26 117.100 119.180 -2.080 1
1 335 . 14 1 1 A 27 27 ARG H H 27 7.660 7.351 0.309 1
1 336 . 14 1 1 A 27 27 ARG HA H 27 4.100 4.054 0.046 1
1 343 . 14 1 1 A 27 27 ARG C C 27 179.000 178.923 0.077 1
1 344 . 14 1 1 A 27 27 ARG CA C 27 59.100 58.842 0.258 1
1 345 . 14 1 1 A 27 27 ARG CB C 27 29.800 29.837 -0.037 1
1 348 . 14 1 1 A 27 27 ARG N N 27 118.600 119.515 -0.915 1
1 349 . 14 1 1 A 28 28 ILE H H 28 7.970 7.986 -0.016 1
1 350 . 14 1 1 A 28 28 ILE HA H 28 3.740 3.643 0.097 1
1 360 . 14 1 1 A 28 28 ILE C C 28 178.700 178.261 0.439 1
1 361 . 14 1 1 A 28 28 ILE CA C 28 64.800 65.119 -0.319 1
1 362 . 14 1 1 A 28 28 ILE CB C 28 38.100 37.992 0.108 1
1 366 . 14 1 1 A 28 28 ILE N N 28 119.400 119.818 -0.418 1
1 367 . 14 1 1 A 29 29 MET H H 29 8.420 8.520 -0.100 1
1 368 . 14 1 1 A 29 29 MET HA H 29 4.370 4.539 -0.169 1
1 376 . 14 1 1 A 29 29 MET C C 29 181.400 178.004 3.396 1
1 377 . 14 1 1 A 29 29 MET CA C 29 59.100 58.337 0.763 1
1 378 . 14 1 1 A 29 29 MET CB C 29 32.800 31.930 0.870 1
1 381 . 14 1 1 A 29 29 MET N N 29 119.900 118.381 1.519 1
1 382 . 14 1 1 A 30 30 ASP H H 30 8.650 8.968 -0.318 1
1 383 . 14 1 1 A 30 30 ASP HA H 30 4.440 4.394 0.046 1
1 386 . 14 1 1 A 30 30 ASP C C 30 178.200 177.753 0.447 1
1 387 . 14 1 1 A 30 30 ASP CA C 30 56.700 57.157 -0.457 1
1 388 . 14 1 1 A 30 30 ASP CB C 30 39.900 41.414 -1.514 1
1 389 . 14 1 1 A 30 30 ASP N N 30 121.800 120.630 1.170 1
1 390 . 14 1 1 A 31 31 MET H H 31 7.570 7.590 -0.020 1
1 391 . 14 1 1 A 31 31 MET HA H 31 4.290 4.438 -0.148 1
1 399 . 14 1 1 A 31 31 MET C C 31 175.700 176.473 -0.773 1
1 400 . 14 1 1 A 31 31 MET CA C 31 56.800 56.184 0.616 1
1 401 . 14 1 1 A 31 31 MET CB C 31 33.300 33.757 -0.457 1
1 404 . 14 1 1 A 31 31 MET N N 31 117.500 116.208 1.292 1
1 405 . 14 1 1 A 32 32 GLY H H 32 7.990 8.101 -0.111 1
1 406 . 14 1 1 A 32 32 GLY HA2 H 32 4.270 3.952 0.318 1
1 407 . 14 1 1 A 32 32 GLY HA3 H 32 3.630 3.953 -0.323 1
1 408 . 14 1 1 A 32 32 GLY C C 32 173.600 174.544 -0.944 1
1 409 . 14 1 1 A 32 32 GLY CA C 32 44.200 44.976 -0.776 1
1 410 . 14 1 1 A 32 32 GLY N N 32 104.400 106.462 -2.062 1
1 411 . 14 1 1 A 33 33 ILE H H 33 7.140 7.481 -0.341 1
1 412 . 14 1 1 A 33 33 ILE HA H 33 4.120 4.077 0.043 1
1 422 . 14 1 1 A 33 33 ILE C C 33 172.400 174.575 -2.175 1
1 423 . 14 1 1 A 33 33 ILE CA C 33 61.700 60.733 0.967 1
1 424 . 14 1 1 A 33 33 ILE CB C 33 37.200 36.645 0.555 1
1 428 . 14 1 1 A 33 33 ILE N N 33 120.800 123.161 -2.361 1
1 429 . 14 1 1 A 34 34 THR H H 34 6.930 8.679 -1.749 1
1 430 . 14 1 1 A 34 34 THR HA H 34 4.590 5.158 -0.568 1
1 435 . 14 1 1 A 34 34 THR C C 34 174.400 173.673 0.727 1
1 436 . 14 1 1 A 34 34 THR CA C 34 58.300 59.169 -0.869 1
1 437 . 14 1 1 A 34 34 THR CB C 34 72.200 71.840 0.360 1
1 439 . 14 1 1 A 34 34 THR N N 34 113.300 117.835 -4.535 1
1 440 . 14 1 1 A 35 35 ARG H H 35 8.760 8.536 0.224 1
1 441 . 14 1 1 A 35 35 ARG HA H 35 3.520 4.134 -0.614 1
1 448 . 14 1 1 A 35 35 ARG C C 35 176.800 176.725 0.075 1
1 449 . 14 1 1 A 35 35 ARG CA C 35 58.700 56.600 2.100 1
1 450 . 14 1 1 A 35 35 ARG CB C 35 29.700 30.017 -0.317 1
1 453 . 14 1 1 A 35 35 ARG N N 35 121.300 121.776 -0.476 1
1 454 . 14 1 1 A 36 36 GLY H H 36 8.950 9.184 -0.234 1
1 455 . 14 1 1 A 36 36 GLY HA2 H 36 4.460 4.046 0.414 1
1 456 . 14 1 1 A 36 36 GLY HA3 H 36 3.560 4.048 -0.488 1
1 457 . 14 1 1 A 36 36 GLY C C 36 173.900 174.423 -0.523 1
1 458 . 14 1 1 A 36 36 GLY CA C 36 44.700 45.093 -0.393 1
1 459 . 14 1 1 A 36 36 GLY N N 36 114.200 111.116 3.084 1
1 460 . 14 1 1 A 37 37 CYS H H 37 7.950 7.961 -0.011 1
1 461 . 14 1 1 A 37 37 CYS HA H 37 4.550 4.610 -0.060 1
1 464 . 14 1 1 A 37 37 CYS C C 37 172.900 174.559 -1.659 1
1 465 . 14 1 1 A 37 37 CYS CA C 37 59.200 58.783 0.417 1
1 466 . 14 1 1 A 37 37 CYS CB C 37 28.000 29.196 -1.196 1
1 467 . 14 1 1 A 37 37 CYS N N 37 118.400 120.150 -1.750 1
1 468 . 14 1 1 A 38 38 GLU H H 38 8.540 9.135 -0.595 1
1 469 . 14 1 1 A 38 38 GLU HA H 38 5.160 5.419 -0.259 1
1 474 . 14 1 1 A 38 38 GLU C C 38 176.000 175.165 0.835 1
1 475 . 14 1 1 A 38 38 GLU CA C 38 55.300 54.944 0.356 1
1 476 . 14 1 1 A 38 38 GLU CB C 38 31.500 32.968 -1.468 1
1 478 . 14 1 1 A 38 38 GLU N N 38 123.100 119.007 4.093 1
1 479 . 14 1 1 A 39 39 ILE H H 39 9.360 9.331 0.029 1
1 480 . 14 1 1 A 39 39 ILE HA H 39 4.600 4.909 -0.309 1
1 490 . 14 1 1 A 39 39 ILE C C 39 173.700 173.610 0.090 1
1 491 . 14 1 1 A 39 39 ILE CA C 39 60.500 60.422 0.078 1
1 492 . 14 1 1 A 39 39 ILE CB C 39 41.300 40.876 0.424 1
1 496 . 14 1 1 A 39 39 ILE N N 39 124.000 124.303 -0.303 1
1 497 . 14 1 1 A 40 40 TYR H H 40 8.540 8.749 -0.209 1
1 498 . 14 1 1 A 40 40 TYR HA H 40 5.340 5.261 0.079 1
1 505 . 14 1 1 A 40 40 TYR C C 40 175.000 174.156 0.844 1
1 506 . 14 1 1 A 40 40 TYR CA C 40 55.900 56.220 -0.320 1
1 507 . 14 1 1 A 40 40 TYR CB C 40 40.900 40.159 0.741 1
1 510 . 14 1 1 A 40 40 TYR N N 40 127.000 128.678 -1.678 1
1 511 . 14 1 1 A 41 41 ILE H H 41 7.850 8.463 -0.613 1
1 512 . 14 1 1 A 41 41 ILE HA H 41 3.910 4.241 -0.331 1
1 522 . 14 1 1 A 41 41 ILE C C 41 173.600 175.353 -1.753 1
1 523 . 14 1 1 A 41 41 ILE CA C 41 61.500 60.450 1.050 1
1 524 . 14 1 1 A 41 41 ILE CB C 41 35.800 37.889 -2.089 1
1 528 . 14 1 1 A 41 41 ILE N N 41 127.800 128.378 -0.578 1
1 529 . 14 1 1 A 42 42 ARG H H 42 8.460 8.908 -0.448 1
1 530 . 14 1 1 A 42 42 ARG HA H 42 4.110 4.495 -0.385 1
1 537 . 14 1 1 A 42 42 ARG C C 42 176.500 176.309 0.191 1
1 538 . 14 1 1 A 42 42 ARG CA C 42 57.700 57.464 0.236 1
1 539 . 14 1 1 A 42 42 ARG CB C 42 31.400 31.525 -0.125 1
1 542 . 14 1 1 A 42 42 ARG N N 42 128.100 127.220 0.880 1
1 543 . 14 1 1 A 43 43 LYS H H 43 7.920 7.429 0.491 1
1 544 . 14 1 1 A 43 43 LYS HA H 43 4.530 4.780 -0.250 1
1 553 . 14 1 1 A 43 43 LYS C C 43 173.100 174.932 -1.832 1
1 554 . 14 1 1 A 43 43 LYS CA C 43 56.400 54.958 1.442 1
1 555 . 14 1 1 A 43 43 LYS CB C 43 36.100 35.218 0.882 1
1 559 . 14 1 1 A 43 43 LYS N N 43 116.400 118.359 -1.959 1
1 560 . 14 1 1 A 44 44 VAL H H 44 8.450 9.110 -0.660 1
1 561 . 14 1 1 A 44 44 VAL HA H 44 4.260 4.588 -0.328 1
1 569 . 14 1 1 A 44 44 VAL C C 44 175.000 175.049 -0.049 1
1 570 . 14 1 1 A 44 44 VAL CA C 44 61.500 60.614 0.886 1
1 571 . 14 1 1 A 44 44 VAL CB C 44 34.200 34.625 -0.425 1
1 574 . 14 1 1 A 44 44 VAL N N 44 123.900 123.908 -0.008 1
1 575 . 14 1 1 A 45 45 ALA H H 45 7.550 8.159 -0.609 1
1 576 . 14 1 1 A 45 45 ALA HA H 45 4.480 4.536 -0.056 1
1 580 . 14 1 1 A 45 45 ALA CA C 45 51.500 50.689 0.811 1
1 581 . 14 1 1 A 45 45 ALA CB C 45 17.600 17.844 -0.244 1
1 582 . 14 1 1 A 45 45 ALA N N 45 129.600 130.491 -0.891 1
1 583 . 14 1 1 A 46 46 PRO HA H 46 4.290 4.397 -0.107 1
1 590 . 14 1 1 A 46 46 PRO C C 46 177.800 177.101 0.699 1
1 591 . 14 1 1 A 46 46 PRO CA C 46 65.500 64.366 1.134 1
1 592 . 14 1 1 A 46 46 PRO CB C 46 31.600 31.901 -0.301 1
1 595 . 14 1 1 A 47 47 LEU H H 47 8.330 7.569 0.761 1
1 596 . 14 1 1 A 47 47 LEU HA H 47 4.330 4.451 -0.121 1
1 606 . 14 1 1 A 47 47 LEU C C 47 178.000 177.773 0.227 1
1 607 . 14 1 1 A 47 47 LEU CA C 47 55.300 53.921 1.379 1
1 608 . 14 1 1 A 47 47 LEU CB C 47 40.300 42.075 -1.775 1
1 612 . 14 1 1 A 47 47 LEU N N 47 115.100 114.900 0.200 1
1 613 . 14 1 1 A 48 48 GLY H H 48 8.420 8.464 -0.044 1
1 614 . 14 1 1 A 48 48 GLY HA2 H 48 4.090 3.968 0.122 1
1 615 . 14 1 1 A 48 48 GLY HA3 H 48 3.490 3.970 -0.480 1
1 616 . 14 1 1 A 48 48 GLY C C 48 171.900 173.636 -1.736 1
1 617 . 14 1 1 A 48 48 GLY CA C 48 45.500 45.856 -0.356 1
1 618 . 14 1 1 A 48 48 GLY N N 48 107.400 109.316 -1.916 1
1 619 . 14 1 1 A 49 49 ASP H H 49 6.850 8.061 -1.211 1
1 620 . 14 1 1 A 49 49 ASP HA H 49 5.050 4.896 0.154 1
1 623 . 14 1 1 A 49 49 ASP CA C 49 50.200 52.333 -2.133 1
1 624 . 14 1 1 A 49 49 ASP CB C 49 45.300 41.660 3.640 1
1 625 . 14 1 1 A 49 49 ASP N N 49 116.000 122.295 -6.295 1
1 626 . 14 1 1 A 50 50 PRO HA H 50 5.450 4.719 0.731 1
1 633 . 14 1 1 A 50 50 PRO C C 50 174.900 175.550 -0.650 1
1 634 . 14 1 1 A 50 50 PRO CA C 50 63.900 62.267 1.633 1
1 635 . 14 1 1 A 50 50 PRO CB C 50 35.600 32.493 3.107 1
1 638 . 14 1 1 A 51 51 ILE H H 51 8.980 8.368 0.612 1
1 639 . 14 1 1 A 51 51 ILE HA H 51 4.400 4.710 -0.310 1
1 649 . 14 1 1 A 51 51 ILE C C 51 174.500 175.017 -0.517 1
1 650 . 14 1 1 A 51 51 ILE CA C 51 61.100 59.912 1.188 1
1 651 . 14 1 1 A 51 51 ILE CB C 51 40.900 39.192 1.708 1
1 655 . 14 1 1 A 51 51 ILE N N 51 118.100 121.245 -3.145 1
1 656 . 14 1 1 A 52 52 GLN H H 52 9.060 8.741 0.319 1
1 657 . 14 1 1 A 52 52 GLN HA H 52 5.160 4.873 0.287 1
1 664 . 14 1 1 A 52 52 GLN C C 52 175.800 175.518 0.282 1
1 665 . 14 1 1 A 52 52 GLN CA C 52 54.900 55.210 -0.310 1
1 666 . 14 1 1 A 52 52 GLN CB C 52 29.600 29.496 0.104 1
1 668 . 14 1 1 A 52 52 GLN N N 52 126.100 126.932 -0.832 1
1 670 . 14 1 1 A 53 53 ILE H H 53 9.080 9.266 -0.186 1
1 671 . 14 1 1 A 53 53 ILE HA H 53 5.440 5.306 0.134 1
1 681 . 14 1 1 A 53 53 ILE C C 53 174.000 173.630 0.370 1
1 682 . 14 1 1 A 53 53 ILE CA C 53 58.700 58.840 -0.140 1
1 683 . 14 1 1 A 53 53 ILE CB C 53 41.500 42.101 -0.601 1
1 687 . 14 1 1 A 53 53 ILE N N 53 117.600 119.013 -1.413 1
1 688 . 14 1 1 A 54 54 ASN H H 54 9.360 8.973 0.387 1
1 689 . 14 1 1 A 54 54 ASN HA H 54 5.840 5.710 0.130 1
1 694 . 14 1 1 A 54 54 ASN C C 54 174.800 173.963 0.837 1
1 695 . 14 1 1 A 54 54 ASN CA C 54 52.300 51.806 0.494 1
1 696 . 14 1 1 A 54 54 ASN CB C 54 42.200 41.884 0.316 1
1 697 . 14 1 1 A 54 54 ASN N N 54 120.100 120.901 -0.801 1
1 699 . 14 1 1 A 55 55 VAL H H 55 8.900 8.861 0.039 1
1 700 . 14 1 1 A 55 55 VAL HA H 55 4.480 4.572 -0.092 1
1 708 . 14 1 1 A 55 55 VAL C C 55 174.400 175.864 -1.464 1
1 709 . 14 1 1 A 55 55 VAL CA C 55 60.800 61.207 -0.407 1
1 710 . 14 1 1 A 55 55 VAL CB C 55 34.300 34.420 -0.120 1
1 713 . 14 1 1 A 55 55 VAL N N 55 124.400 124.943 -0.543 1
1 714 . 14 1 1 A 56 56 ARG H H 56 9.680 9.591 0.089 1
1 715 . 14 1 1 A 56 56 ARG HA H 56 3.880 4.072 -0.192 1
1 722 . 14 1 1 A 56 56 ARG C C 56 175.000 176.265 -1.265 1
1 723 . 14 1 1 A 56 56 ARG CA C 56 57.200 57.404 -0.204 1
1 724 . 14 1 1 A 56 56 ARG CB C 56 28.400 28.474 -0.074 1
1 727 . 14 1 1 A 56 56 ARG N N 56 125.100 127.992 -2.892 1
1 728 . 14 1 1 A 57 57 GLY H H 57 8.130 8.447 -0.317 1
1 729 . 14 1 1 A 57 57 GLY HA2 H 57 4.130 3.718 0.412 1
1 730 . 14 1 1 A 57 57 GLY HA3 H 57 3.610 3.820 -0.210 1
1 731 . 14 1 1 A 57 57 GLY C C 57 174.300 173.932 0.368 1
1 732 . 14 1 1 A 57 57 GLY CA C 57 45.300 45.236 0.064 1
1 733 . 14 1 1 A 57 57 GLY N N 57 103.500 105.619 -2.119 1
1 734 . 14 1 1 A 58 58 TYR H H 58 8.180 8.098 0.082 1
1 735 . 14 1 1 A 58 58 TYR HA H 58 4.750 4.540 0.210 1
1 742 . 14 1 1 A 58 58 TYR C C 58 174.500 176.037 -1.537 1
1 743 . 14 1 1 A 58 58 TYR CA C 58 56.600 58.291 -1.691 1
1 744 . 14 1 1 A 58 58 TYR CB C 58 39.500 39.482 0.018 1
1 747 . 14 1 1 A 58 58 TYR N N 58 121.300 120.292 1.008 1
1 748 . 14 1 1 A 59 59 GLU H H 59 8.480 8.737 -0.257 1
1 749 . 14 1 1 A 59 59 GLU HA H 59 5.120 4.723 0.397 1
1 754 . 14 1 1 A 59 59 GLU C C 59 178.400 175.633 2.767 1
1 755 . 14 1 1 A 59 59 GLU CA C 59 55.200 56.626 -1.426 1
1 756 . 14 1 1 A 59 59 GLU CB C 59 30.400 30.614 -0.214 1
1 758 . 14 1 1 A 59 59 GLU N N 59 122.400 122.393 0.007 1
1 759 . 14 1 1 A 60 60 LEU H H 60 8.900 9.432 -0.532 1
1 760 . 14 1 1 A 60 60 LEU HA H 60 4.830 5.090 -0.260 1
1 770 . 14 1 1 A 60 60 LEU C C 60 175.100 175.492 -0.392 1
1 771 . 14 1 1 A 60 60 LEU CA C 60 53.800 53.398 0.402 1
1 772 . 14 1 1 A 60 60 LEU CB C 60 46.200 44.614 1.586 1
1 776 . 14 1 1 A 60 60 LEU N N 60 124.600 127.261 -2.661 1
1 777 . 14 1 1 A 61 61 SER H H 61 8.390 9.158 -0.768 1
1 778 . 14 1 1 A 61 61 SER HA H 61 5.150 5.564 -0.414 1
1 781 . 14 1 1 A 61 61 SER C C 61 173.300 173.255 0.045 1
1 782 . 14 1 1 A 61 61 SER CA C 61 56.600 56.670 -0.070 1
1 783 . 14 1 1 A 61 61 SER CB C 61 63.900 64.647 -0.747 1
1 784 . 14 1 1 A 61 61 SER N N 61 116.100 119.106 -3.006 1
1 785 . 14 1 1 A 62 62 LEU H H 62 9.190 8.601 0.589 1
1 786 . 14 1 1 A 62 62 LEU HA H 62 4.700 4.974 -0.274 1
1 796 . 14 1 1 A 62 62 LEU C C 62 175.800 175.927 -0.127 1
1 797 . 14 1 1 A 62 62 LEU CA C 62 53.000 53.280 -0.280 1
1 798 . 14 1 1 A 62 62 LEU CB C 62 45.900 44.840 1.060 1
1 802 . 14 1 1 A 62 62 LEU N N 62 126.800 127.172 -0.372 1
1 803 . 14 1 1 A 63 63 ARG H H 63 8.670 8.541 0.129 1
1 804 . 14 1 1 A 63 63 ARG HA H 63 4.640 4.317 0.323 1
1 811 . 14 1 1 A 63 63 ARG C C 63 176.000 177.354 -1.354 1
1 812 . 14 1 1 A 63 63 ARG CA C 63 53.700 55.799 -2.099 1
1 813 . 14 1 1 A 63 63 ARG CB C 63 29.100 31.541 -2.441 1
1 816 . 14 1 1 A 63 63 ARG N N 63 120.600 124.837 -4.237 1
1 817 . 14 1 1 A 64 64 LYS H H 64 8.900 9.003 -0.103 1
1 818 . 14 1 1 A 64 64 LYS HA H 64 3.800 3.847 -0.047 1
1 827 . 14 1 1 A 64 64 LYS C C 64 177.100 178.162 -1.062 1
1 828 . 14 1 1 A 64 64 LYS CA C 64 60.200 60.532 -0.332 1
1 829 . 14 1 1 A 64 64 LYS CB C 64 32.300 32.011 0.289 1
1 833 . 14 1 1 A 64 64 LYS N N 64 124.600 127.061 -2.461 1
1 834 . 14 1 1 A 65 65 SER H H 65 8.380 8.399 -0.019 1
1 835 . 14 1 1 A 65 65 SER HA H 65 4.130 4.172 -0.042 1
1 838 . 14 1 1 A 65 65 SER C C 65 176.000 177.170 -1.170 1
1 839 . 14 1 1 A 65 65 SER CA C 65 60.300 61.211 -0.911 1
1 840 . 14 1 1 A 65 65 SER CB C 65 61.900 62.207 -0.307 1
1 841 . 14 1 1 A 65 65 SER N N 65 110.900 115.438 -4.538 1
1 842 . 14 1 1 A 66 66 ALA H H 66 6.910 7.955 -1.045 1
1 843 . 14 1 1 A 66 66 ALA HA H 66 4.290 4.098 0.192 1
1 847 . 14 1 1 A 66 66 ALA C C 66 178.800 179.356 -0.556 1
1 848 . 14 1 1 A 66 66 ALA CA C 66 54.000 55.051 -1.051 1
1 849 . 14 1 1 A 66 66 ALA CB C 66 18.800 18.501 0.299 1
1 850 . 14 1 1 A 66 66 ALA N N 66 122.600 122.830 -0.230 1
1 851 . 14 1 1 A 67 67 ALA H H 67 8.050 8.019 0.031 1
1 852 . 14 1 1 A 67 67 ALA HA H 67 3.850 3.966 -0.116 1
1 856 . 14 1 1 A 67 67 ALA C C 67 178.800 180.170 -1.370 1
1 857 . 14 1 1 A 67 67 ALA CA C 67 54.900 55.312 -0.412 1
1 858 . 14 1 1 A 67 67 ALA CB C 67 18.700 18.341 0.359 1
1 859 . 14 1 1 A 67 67 ALA N N 67 118.800 119.723 -0.923 1
1 860 . 14 1 1 A 68 68 GLU H H 68 7.910 7.978 -0.068 1
1 861 . 14 1 1 A 68 68 GLU HA H 68 4.150 4.058 0.092 1
1 866 . 14 1 1 A 68 68 GLU C C 68 175.900 177.812 -1.912 1
1 867 . 14 1 1 A 68 68 GLU CA C 68 57.200 58.765 -1.565 1
1 868 . 14 1 1 A 68 68 GLU CB C 68 29.800 29.469 0.331 1
1 870 . 14 1 1 A 68 68 GLU N N 68 113.100 119.437 -6.337 1
1 871 . 14 1 1 A 69 69 MET H H 69 7.360 7.720 -0.360 1
1 872 . 14 1 1 A 69 69 MET HA H 69 4.590 4.677 -0.087 1
1 880 . 14 1 1 A 69 69 MET C C 69 174.400 175.491 -1.091 1
1 881 . 14 1 1 A 69 69 MET CA C 69 53.800 54.774 -0.974 1
1 882 . 14 1 1 A 69 69 MET CB C 69 32.400 32.497 -0.097 1
1 885 . 14 1 1 A 69 69 MET N N 69 114.100 115.802 -1.702 1
1 886 . 14 1 1 A 70 70 ILE H H 70 7.310 7.177 0.133 1
1 887 . 14 1 1 A 70 70 ILE HA H 70 4.260 4.319 -0.059 1
1 897 . 14 1 1 A 70 70 ILE C C 70 174.100 174.941 -0.841 1
1 898 . 14 1 1 A 70 70 ILE CA C 70 60.900 60.953 -0.053 1
1 899 . 14 1 1 A 70 70 ILE CB C 70 38.700 38.591 0.109 1
1 903 . 14 1 1 A 70 70 ILE N N 70 120.300 120.220 0.080 1
1 904 . 14 1 1 A 71 71 GLU H H 71 8.910 9.207 -0.297 1
1 905 . 14 1 1 A 71 71 GLU HA H 71 4.750 5.291 -0.541 1
1 910 . 14 1 1 A 71 71 GLU C C 71 177.100 176.241 0.859 1
1 911 . 14 1 1 A 71 71 GLU CA C 71 55.900 55.470 0.430 1
1 912 . 14 1 1 A 71 71 GLU CB C 71 30.600 31.483 -0.883 1
1 914 . 14 1 1 A 71 71 GLU N N 71 129.500 128.232 1.268 1
1 915 . 14 1 1 A 72 72 VAL H H 72 8.880 9.028 -0.148 1
1 916 . 14 1 1 A 72 72 VAL HA H 72 5.520 5.263 0.257 1
1 924 . 14 1 1 A 72 72 VAL C C 72 173.200 173.770 -0.570 1
1 925 . 14 1 1 A 72 72 VAL CA C 72 58.500 58.831 -0.331 1
1 926 . 14 1 1 A 72 72 VAL CB C 72 36.200 35.519 0.681 1
1 929 . 14 1 1 A 72 72 VAL N N 72 119.400 120.812 -1.412 1
1 930 . 14 1 1 A 73 73 GLU H H 73 8.720 9.411 -0.691 1
1 931 . 14 1 1 A 73 73 GLU HA H 73 4.750 4.953 -0.203 1
1 936 . 14 1 1 A 73 73 GLU C C 73 175.300 175.166 0.134 1
1 937 . 14 1 1 A 73 73 GLU CA C 73 54.000 54.455 -0.455 1
1 938 . 14 1 1 A 73 73 GLU CB C 73 33.300 33.392 -0.092 1
1 940 . 14 1 1 A 73 73 GLU N N 73 116.600 121.844 -5.244 1
1 941 . 14 1 1 A 74 74 LEU H H 74 8.780 8.535 0.245 1
1 942 . 14 1 1 A 74 74 LEU HA H 74 4.330 4.197 0.133 1
1 952 . 14 1 1 A 74 74 LEU C C 74 176.400 175.877 0.523 1
1 953 . 14 1 1 A 74 74 LEU CA C 74 55.400 53.523 1.877 1
1 954 . 14 1 1 A 74 74 LEU CB C 74 42.600 40.014 2.586 1
1 958 . 14 1 1 A 74 74 LEU N N 74 124.100 126.069 -1.969 1
1 959 . 14 1 1 A 75 75 GLU H H 75 8.450 8.426 0.024 1
1 960 . 14 1 1 A 75 75 GLU HA H 75 4.350 3.992 0.358 1
1 965 . 14 1 1 A 75 75 GLU C C 75 175.700 175.998 -0.298 1
1 966 . 14 1 1 A 75 75 GLU CA C 75 55.800 57.224 -1.424 1
1 967 . 14 1 1 A 75 75 GLU CB C 75 30.500 28.095 2.405 1
1 969 . 14 1 1 A 75 75 GLU N N 75 123.500 119.511 3.989 1
1 970 . 14 1 1 A 76 76 HIS H H 76 8.500 8.188 0.312 1
1 971 . 14 1 1 A 76 76 HIS HA H 76 4.590 4.923 -0.333 1
1 976 . 14 1 1 A 76 76 HIS C C 76 173.800 174.330 -0.530 1
1 977 . 14 1 1 A 76 76 HIS CA C 76 55.700 55.014 0.686 1
1 978 . 14 1 1 A 76 76 HIS CB C 76 30.200 32.204 -2.004 1
1 981 . 14 1 1 A 76 76 HIS N N 76 120.800 123.220 -2.420 1
1 982 . 14 1 1 A 77 77 HIS H H 77 8.100 8.553 -0.453 1
1 983 . 14 1 1 A 77 77 HIS HA H 77 4.610 4.542 0.068 1
1 988 . 14 1 1 A 77 77 HIS C C 77 180.000 175.447 4.553 1
1 989 . 14 1 1 A 77 77 HIS CA C 77 56.400 56.904 -0.504 1
1 990 . 14 1 1 A 77 77 HIS CB C 77 29.900 28.628 1.272 1
1 993 . 14 1 1 A 77 77 HIS N N 77 125.100 124.232 0.868 1
1 994 . 14 1 1 A 78 78 HIS H H 78 8.250 8.825 -0.575 1
1 995 . 14 1 1 A 78 78 HIS HA H 78 4.620 4.644 -0.024 1
1 1000 . 14 1 1 A 78 78 HIS C C 78 180.000 175.481 4.519 1
1 1001 . 14 1 1 A 78 78 HIS CA C 78 56.400 57.204 -0.804 1
1 1002 . 14 1 1 A 78 78 HIS CB C 78 29.900 32.136 -2.236 1
1 1005 . 14 1 1 A 78 78 HIS N N 78 119.400 120.952 -1.552 1
1 1006 . 14 1 1 A 79 79 HIS H H 79 8.250 7.804 0.446 1
1 1007 . 14 1 1 A 79 79 HIS HA H 79 4.620 4.938 -0.318 1
1 1012 . 14 1 1 A 79 79 HIS C C 79 180.000 172.210 7.790 1
1 1013 . 14 1 1 A 79 79 HIS CA C 79 56.400 54.606 1.794 1
1 1014 . 14 1 1 A 79 79 HIS CB C 79 29.900 31.777 -1.877 1
1 1017 . 14 1 1 A 79 79 HIS N N 79 119.400 113.212 6.188 1
1 1018 . 14 1 1 A 80 80 HIS H H 80 8.250 9.022 -0.772 1
1 1019 . 14 1 1 A 80 80 HIS HA H 80 4.620 4.610 0.010 1
1 1024 . 14 1 1 A 80 80 HIS C C 80 180.000 174.692 5.308 1
1 1025 . 14 1 1 A 80 80 HIS CA C 80 56.400 57.417 -1.017 1
1 1026 . 14 1 1 A 80 80 HIS CB C 80 29.900 30.100 -0.200 1
1 1029 . 14 1 1 A 80 80 HIS N N 80 119.400 120.667 -1.267 1
1 16 . 15 1 1 A 2 2 PHE H H 2 9.360 8.897 0.463 1
1 17 . 15 1 1 A 2 2 PHE HA H 2 4.960 5.368 -0.408 1
1 25 . 15 1 1 A 2 2 PHE C C 2 173.300 174.604 -1.304 1
1 26 . 15 1 1 A 2 2 PHE CA C 2 56.400 55.314 1.086 1
1 27 . 15 1 1 A 2 2 PHE CB C 2 38.500 41.766 -3.266 1
1 31 . 15 1 1 A 2 2 PHE N N 2 127.300 123.506 3.794 1
1 32 . 15 1 1 A 3 3 SER H H 3 9.150 8.482 0.668 1
1 33 . 15 1 1 A 3 3 SER HA H 3 5.590 5.115 0.475 1
1 36 . 15 1 1 A 3 3 SER C C 3 176.100 175.225 0.875 1
1 37 . 15 1 1 A 3 3 SER CA C 3 56.500 56.727 -0.227 1
1 38 . 15 1 1 A 3 3 SER CB C 3 68.100 65.537 2.563 1
1 39 . 15 1 1 A 3 3 SER N N 3 124.000 118.549 5.451 1
1 40 . 15 1 1 A 4 4 LEU H H 4 8.540 8.724 -0.184 1
1 41 . 15 1 1 A 4 4 LEU HA H 4 3.770 4.135 -0.365 1
1 51 . 15 1 1 A 4 4 LEU C C 4 177.200 178.434 -1.234 1
1 52 . 15 1 1 A 4 4 LEU CA C 4 57.300 58.185 -0.885 1
1 53 . 15 1 1 A 4 4 LEU CB C 4 41.600 41.453 0.147 1
1 57 . 15 1 1 A 4 4 LEU N N 4 120.800 123.639 -2.839 1
1 58 . 15 1 1 A 5 5 ARG H H 5 7.150 8.751 -1.601 1
1 59 . 15 1 1 A 5 5 ARG HA H 5 3.830 4.135 -0.305 1
1 66 . 15 1 1 A 5 5 ARG C C 5 175.900 176.454 -0.554 1
1 67 . 15 1 1 A 5 5 ARG CA C 5 57.300 57.613 -0.313 1
1 68 . 15 1 1 A 5 5 ARG CB C 5 29.400 28.941 0.459 1
1 71 . 15 1 1 A 5 5 ARG N N 5 115.100 117.428 -2.328 1
1 72 . 15 1 1 A 6 6 ASP H H 6 7.600 7.489 0.111 1
1 73 . 15 1 1 A 6 6 ASP HA H 6 4.490 4.554 -0.064 1
1 76 . 15 1 1 A 6 6 ASP C C 6 175.700 176.015 -0.315 1
1 77 . 15 1 1 A 6 6 ASP CA C 6 54.700 53.126 1.574 1
1 78 . 15 1 1 A 6 6 ASP CB C 6 42.000 40.476 1.524 1
1 79 . 15 1 1 A 6 6 ASP N N 6 117.000 119.198 -2.198 1
1 80 . 15 1 1 A 7 7 ALA H H 7 6.990 7.165 -0.175 1
1 81 . 15 1 1 A 7 7 ALA HA H 7 4.390 4.632 -0.242 1
1 85 . 15 1 1 A 7 7 ALA C C 7 175.300 177.239 -1.939 1
1 86 . 15 1 1 A 7 7 ALA CA C 7 51.600 51.036 0.564 1
1 87 . 15 1 1 A 7 7 ALA CB C 7 19.500 20.462 -0.962 1
1 88 . 15 1 1 A 7 7 ALA N N 7 122.200 121.520 0.680 1
1 89 . 15 1 1 A 8 8 LYS H H 8 8.270 8.552 -0.282 1
1 90 . 15 1 1 A 8 8 LYS HA H 8 4.480 4.369 0.111 1
1 99 . 15 1 1 A 8 8 LYS C C 8 175.600 176.328 -0.728 1
1 100 . 15 1 1 A 8 8 LYS CA C 8 53.800 55.787 -1.987 1
1 101 . 15 1 1 A 8 8 LYS CB C 8 34.600 33.197 1.403 1
1 105 . 15 1 1 A 8 8 LYS N N 8 118.500 121.348 -2.848 1
1 106 . 15 1 1 A 9 9 CYS H H 9 8.400 8.561 -0.161 1
1 107 . 15 1 1 A 9 9 CYS HA H 9 3.630 4.048 -0.418 1
1 110 . 15 1 1 A 9 9 CYS C C 9 175.700 175.534 0.166 1
1 111 . 15 1 1 A 9 9 CYS CA C 9 60.300 60.618 -0.318 1
1 112 . 15 1 1 A 9 9 CYS CB C 9 26.700 27.184 -0.484 1
1 113 . 15 1 1 A 9 9 CYS N N 9 117.100 121.202 -4.102 1
1 114 . 15 1 1 A 10 10 GLY H H 10 8.950 8.881 0.069 1
1 115 . 15 1 1 A 10 10 GLY HA2 H 10 3.790 3.985 -0.195 1
1 116 . 15 1 1 A 10 10 GLY HA3 H 10 4.350 4.000 0.350 1
1 117 . 15 1 1 A 10 10 GLY C C 10 174.600 173.838 0.762 1
1 118 . 15 1 1 A 10 10 GLY CA C 10 44.600 45.392 -0.792 1
1 119 . 15 1 1 A 10 10 GLY N N 10 114.200 114.074 0.126 1
1 120 . 15 1 1 A 11 11 GLN H H 11 7.750 7.365 0.385 1
1 121 . 15 1 1 A 11 11 GLN HA H 11 4.500 4.798 -0.298 1
1 128 . 15 1 1 A 11 11 GLN C C 11 174.200 175.094 -0.894 1
1 129 . 15 1 1 A 11 11 GLN CA C 11 56.000 54.088 1.912 1
1 130 . 15 1 1 A 11 11 GLN CB C 11 29.400 31.002 -1.602 1
1 132 . 15 1 1 A 11 11 GLN N N 11 118.900 119.564 -0.664 1
1 134 . 15 1 1 A 12 12 THR H H 12 8.380 8.786 -0.406 1
1 135 . 15 1 1 A 12 12 THR HA H 12 5.330 5.198 0.132 1
1 140 . 15 1 1 A 12 12 THR C C 12 174.100 174.565 -0.465 1
1 141 . 15 1 1 A 12 12 THR CA C 12 62.100 62.069 0.031 1
1 142 . 15 1 1 A 12 12 THR CB C 12 69.600 69.682 -0.082 1
1 144 . 15 1 1 A 12 12 THR N N 12 116.600 118.367 -1.767 1
1 145 . 15 1 1 A 13 13 VAL H H 13 9.190 9.373 -0.183 1
1 146 . 15 1 1 A 13 13 VAL HA H 13 5.140 5.059 0.081 1
1 154 . 15 1 1 A 13 13 VAL C C 13 173.200 173.612 -0.412 1
1 155 . 15 1 1 A 13 13 VAL CA C 13 57.300 58.857 -1.557 1
1 156 . 15 1 1 A 13 13 VAL CB C 13 35.100 34.791 0.309 1
1 159 . 15 1 1 A 13 13 VAL N N 13 117.500 121.948 -4.448 1
1 160 . 15 1 1 A 14 14 LYS H H 14 9.000 8.804 0.196 1
1 161 . 15 1 1 A 14 14 LYS HA H 14 5.350 5.199 0.151 1
1 170 . 15 1 1 A 14 14 LYS C C 14 176.900 175.868 1.032 1
1 171 . 15 1 1 A 14 14 LYS CA C 14 53.800 54.588 -0.788 1
1 172 . 15 1 1 A 14 14 LYS CB C 14 35.500 35.518 -0.018 1
1 176 . 15 1 1 A 14 14 LYS N N 14 120.300 122.666 -2.366 1
1 177 . 15 1 1 A 15 15 VAL H H 15 8.620 9.285 -0.665 1
1 178 . 15 1 1 A 15 15 VAL HA H 15 3.880 4.054 -0.174 1
1 186 . 15 1 1 A 15 15 VAL C C 15 176.700 176.944 -0.244 1
1 187 . 15 1 1 A 15 15 VAL CA C 15 64.300 63.690 0.610 1
1 188 . 15 1 1 A 15 15 VAL CB C 15 31.500 31.727 -0.227 1
1 191 . 15 1 1 A 15 15 VAL N N 15 123.100 127.293 -4.193 1
1 192 . 15 1 1 A 16 16 VAL H H 16 9.580 9.116 0.464 1
1 193 . 15 1 1 A 16 16 VAL HA H 16 4.100 4.436 -0.336 1
1 201 . 15 1 1 A 16 16 VAL C C 16 175.300 176.067 -0.767 1
1 202 . 15 1 1 A 16 16 VAL CA C 16 63.400 62.273 1.127 1
1 203 . 15 1 1 A 16 16 VAL CB C 16 33.700 33.404 0.296 1
1 206 . 15 1 1 A 16 16 VAL N N 16 130.100 121.311 8.789 1
1 207 . 15 1 1 A 17 17 LYS H H 17 7.490 7.440 0.050 1
1 208 . 15 1 1 A 17 17 LYS HA H 17 4.380 4.837 -0.457 1
1 217 . 15 1 1 A 17 17 LYS C C 17 172.900 174.808 -1.908 1
1 218 . 15 1 1 A 17 17 LYS CA C 17 56.200 55.305 0.895 1
1 219 . 15 1 1 A 17 17 LYS CB C 17 35.500 36.693 -1.193 1
1 223 . 15 1 1 A 17 17 LYS N N 17 116.800 119.713 -2.913 1
1 224 . 15 1 1 A 18 18 LEU H H 18 8.520 8.839 -0.319 1
1 225 . 15 1 1 A 18 18 LEU HA H 18 4.890 5.135 -0.245 1
1 235 . 15 1 1 A 18 18 LEU C C 18 175.600 175.821 -0.221 1
1 236 . 15 1 1 A 18 18 LEU CA C 18 53.800 53.052 0.748 1
1 237 . 15 1 1 A 18 18 LEU CB C 18 42.500 44.588 -2.088 1
1 241 . 15 1 1 A 18 18 LEU N N 18 124.100 123.030 1.070 1
1 242 . 15 1 1 A 19 19 HIS H H 19 8.790 9.364 -0.574 1
1 243 . 15 1 1 A 19 19 HIS HA H 19 4.620 4.970 -0.350 1
1 248 . 15 1 1 A 19 19 HIS C C 19 173.000 174.951 -1.951 1
1 249 . 15 1 1 A 19 19 HIS CA C 19 55.500 54.818 0.682 1
1 250 . 15 1 1 A 19 19 HIS CB C 19 32.800 32.340 0.460 1
1 253 . 15 1 1 A 19 19 HIS N N 19 122.700 123.245 -0.545 1
1 254 . 15 1 1 A 20 20 GLY H H 20 8.100 8.565 -0.465 1
1 255 . 15 1 1 A 20 20 GLY HA2 H 20 3.920 4.112 -0.192 1
1 256 . 15 1 1 A 20 20 GLY HA3 H 20 4.510 4.121 0.389 1
1 257 . 15 1 1 A 20 20 GLY C C 20 174.500 172.123 2.377 1
1 258 . 15 1 1 A 20 20 GLY CA C 20 44.200 45.025 -0.825 1
1 259 . 15 1 1 A 20 20 GLY N N 20 103.400 109.317 -5.917 1
1 260 . 15 1 1 A 21 21 THR H H 21 7.750 8.452 -0.702 1
1 261 . 15 1 1 A 21 21 THR HA H 21 4.450 4.588 -0.138 1
1 266 . 15 1 1 A 21 21 THR C C 21 175.400 174.599 0.801 1
1 267 . 15 1 1 A 21 21 THR CA C 21 60.800 60.729 0.071 1
1 268 . 15 1 1 A 21 21 THR CB C 21 70.900 68.067 2.833 1
1 270 . 15 1 1 A 21 21 THR N N 21 108.600 115.474 -6.874 1
1 271 . 15 1 1 A 22 22 GLY H H 22 8.780 8.093 0.687 1
1 272 . 15 1 1 A 22 22 GLY HA2 H 22 3.750 3.920 -0.170 1
1 273 . 15 1 1 A 22 22 GLY HA3 H 22 4.030 3.922 0.108 1
1 274 . 15 1 1 A 22 22 GLY C C 22 176.200 175.688 0.512 1
1 275 . 15 1 1 A 22 22 GLY CA C 22 47.300 46.209 1.091 1
1 276 . 15 1 1 A 22 22 GLY N N 22 108.600 115.048 -6.448 1
1 277 . 15 1 1 A 23 23 ALA H H 23 8.480 8.545 -0.065 1
1 278 . 15 1 1 A 23 23 ALA HA H 23 4.080 3.974 0.106 1
1 282 . 15 1 1 A 23 23 ALA C C 23 180.100 179.425 0.675 1
1 283 . 15 1 1 A 23 23 ALA CA C 23 54.700 54.724 -0.024 1
1 284 . 15 1 1 A 23 23 ALA CB C 23 18.400 18.705 -0.305 1
1 285 . 15 1 1 A 23 23 ALA N N 23 123.300 124.452 -1.152 1
1 286 . 15 1 1 A 24 24 LEU H H 24 7.830 8.058 -0.228 1
1 287 . 15 1 1 A 24 24 LEU HA H 24 4.120 4.109 0.011 1
1 297 . 15 1 1 A 24 24 LEU C C 24 178.600 178.987 -0.387 1
1 298 . 15 1 1 A 24 24 LEU CA C 24 57.800 57.601 0.199 1
1 299 . 15 1 1 A 24 24 LEU CB C 24 41.100 41.874 -0.774 1
1 303 . 15 1 1 A 24 24 LEU N N 24 120.400 120.092 0.308 1
1 304 . 15 1 1 A 25 25 LYS H H 25 7.960 8.267 -0.307 1
1 305 . 15 1 1 A 25 25 LYS HA H 25 3.750 3.849 -0.099 1
1 314 . 15 1 1 A 25 25 LYS C C 25 178.300 179.046 -0.746 1
1 315 . 15 1 1 A 25 25 LYS CA C 25 60.400 60.340 0.060 1
1 316 . 15 1 1 A 25 25 LYS CB C 25 32.000 32.310 -0.310 1
1 320 . 15 1 1 A 25 25 LYS N N 25 118.000 119.032 -1.032 1
1 321 . 15 1 1 A 26 26 ARG H H 26 7.890 8.085 -0.195 1
1 322 . 15 1 1 A 26 26 ARG HA H 26 3.970 3.906 0.064 1
1 329 . 15 1 1 A 26 26 ARG C C 26 177.700 178.812 -1.112 1
1 330 . 15 1 1 A 26 26 ARG CA C 26 58.700 59.482 -0.782 1
1 331 . 15 1 1 A 26 26 ARG CB C 26 30.000 29.810 0.190 1
1 334 . 15 1 1 A 26 26 ARG N N 26 117.100 119.814 -2.714 1
1 335 . 15 1 1 A 27 27 ARG H H 27 7.660 7.901 -0.241 1
1 336 . 15 1 1 A 27 27 ARG HA H 27 4.100 4.012 0.088 1
1 343 . 15 1 1 A 27 27 ARG C C 27 179.000 178.833 0.167 1
1 344 . 15 1 1 A 27 27 ARG CA C 27 59.100 59.095 0.005 1
1 345 . 15 1 1 A 27 27 ARG CB C 27 29.800 29.961 -0.161 1
1 348 . 15 1 1 A 27 27 ARG N N 27 118.600 118.506 0.094 1
1 349 . 15 1 1 A 28 28 ILE H H 28 7.970 8.148 -0.178 1
1 350 . 15 1 1 A 28 28 ILE HA H 28 3.740 3.676 0.064 1
1 360 . 15 1 1 A 28 28 ILE C C 28 178.700 178.063 0.637 1
1 361 . 15 1 1 A 28 28 ILE CA C 28 64.800 64.946 -0.146 1
1 362 . 15 1 1 A 28 28 ILE CB C 28 38.100 37.811 0.289 1
1 366 . 15 1 1 A 28 28 ILE N N 28 119.400 120.926 -1.526 1
1 367 . 15 1 1 A 29 29 MET H H 29 8.420 8.222 0.198 1
1 368 . 15 1 1 A 29 29 MET HA H 29 4.370 4.720 -0.350 1
1 376 . 15 1 1 A 29 29 MET C C 29 181.400 177.980 3.420 1
1 377 . 15 1 1 A 29 29 MET CA C 29 59.100 57.962 1.138 1
1 378 . 15 1 1 A 29 29 MET CB C 29 32.800 30.979 1.821 1
1 381 . 15 1 1 A 29 29 MET N N 29 119.900 118.380 1.520 1
1 382 . 15 1 1 A 30 30 ASP H H 30 8.650 8.676 -0.026 1
1 383 . 15 1 1 A 30 30 ASP HA H 30 4.440 4.359 0.081 1
1 386 . 15 1 1 A 30 30 ASP C C 30 178.200 178.442 -0.242 1
1 387 . 15 1 1 A 30 30 ASP CA C 30 56.700 57.771 -1.071 1
1 388 . 15 1 1 A 30 30 ASP CB C 30 39.900 41.988 -2.088 1
1 389 . 15 1 1 A 30 30 ASP N N 30 121.800 120.813 0.987 1
1 390 . 15 1 1 A 31 31 MET H H 31 7.570 7.547 0.023 1
1 391 . 15 1 1 A 31 31 MET HA H 31 4.290 4.449 -0.159 1
1 399 . 15 1 1 A 31 31 MET C C 31 175.700 176.172 -0.472 1
1 400 . 15 1 1 A 31 31 MET CA C 31 56.800 55.898 0.902 1
1 401 . 15 1 1 A 31 31 MET CB C 31 33.300 32.275 1.025 1
1 404 . 15 1 1 A 31 31 MET N N 31 117.500 116.264 1.236 1
1 405 . 15 1 1 A 32 32 GLY H H 32 7.990 7.874 0.116 1
1 406 . 15 1 1 A 32 32 GLY HA2 H 32 4.270 4.070 0.200 1
1 407 . 15 1 1 A 32 32 GLY HA3 H 32 3.630 4.081 -0.451 1
1 408 . 15 1 1 A 32 32 GLY C C 32 173.600 174.424 -0.824 1
1 409 . 15 1 1 A 32 32 GLY CA C 32 44.200 44.898 -0.698 1
1 410 . 15 1 1 A 32 32 GLY N N 32 104.400 105.347 -0.947 1
1 411 . 15 1 1 A 33 33 ILE H H 33 7.140 7.608 -0.468 1
1 412 . 15 1 1 A 33 33 ILE HA H 33 4.120 4.038 0.082 1
1 422 . 15 1 1 A 33 33 ILE C C 33 172.400 175.066 -2.666 1
1 423 . 15 1 1 A 33 33 ILE CA C 33 61.700 61.433 0.267 1
1 424 . 15 1 1 A 33 33 ILE CB C 33 37.200 37.456 -0.256 1
1 428 . 15 1 1 A 33 33 ILE N N 33 120.800 122.549 -1.749 1
1 429 . 15 1 1 A 34 34 THR H H 34 6.930 8.403 -1.473 1
1 430 . 15 1 1 A 34 34 THR HA H 34 4.590 4.870 -0.280 1
1 435 . 15 1 1 A 34 34 THR C C 34 174.400 173.237 1.163 1
1 436 . 15 1 1 A 34 34 THR CA C 34 58.300 59.701 -1.401 1
1 437 . 15 1 1 A 34 34 THR CB C 34 72.200 71.147 1.053 1
1 439 . 15 1 1 A 34 34 THR N N 34 113.300 120.488 -7.188 1
1 440 . 15 1 1 A 35 35 ARG H H 35 8.760 8.489 0.271 1
1 441 . 15 1 1 A 35 35 ARG HA H 35 3.520 4.060 -0.540 1
1 448 . 15 1 1 A 35 35 ARG C C 35 176.800 176.807 -0.007 1
1 449 . 15 1 1 A 35 35 ARG CA C 35 58.700 57.919 0.781 1
1 450 . 15 1 1 A 35 35 ARG CB C 35 29.700 29.638 0.062 1
1 453 . 15 1 1 A 35 35 ARG N N 35 121.300 123.331 -2.031 1
1 454 . 15 1 1 A 36 36 GLY H H 36 8.950 9.402 -0.452 1
1 455 . 15 1 1 A 36 36 GLY HA2 H 36 4.460 3.964 0.496 1
1 456 . 15 1 1 A 36 36 GLY HA3 H 36 3.560 3.965 -0.405 1
1 457 . 15 1 1 A 36 36 GLY C C 36 173.900 174.002 -0.102 1
1 458 . 15 1 1 A 36 36 GLY CA C 36 44.700 45.257 -0.557 1
1 459 . 15 1 1 A 36 36 GLY N N 36 114.200 112.011 2.189 1
1 460 . 15 1 1 A 37 37 CYS H H 37 7.950 7.409 0.541 1
1 461 . 15 1 1 A 37 37 CYS HA H 37 4.550 4.731 -0.181 1
1 464 . 15 1 1 A 37 37 CYS C C 37 172.900 173.860 -0.960 1
1 465 . 15 1 1 A 37 37 CYS CA C 37 59.200 57.698 1.502 1
1 466 . 15 1 1 A 37 37 CYS CB C 37 28.000 29.603 -1.603 1
1 467 . 15 1 1 A 37 37 CYS N N 37 118.400 119.617 -1.217 1
1 468 . 15 1 1 A 38 38 GLU H H 38 8.540 8.602 -0.062 1
1 469 . 15 1 1 A 38 38 GLU HA H 38 5.160 4.761 0.399 1
1 474 . 15 1 1 A 38 38 GLU C C 38 176.000 175.744 0.256 1
1 475 . 15 1 1 A 38 38 GLU CA C 38 55.300 55.988 -0.688 1
1 476 . 15 1 1 A 38 38 GLU CB C 38 31.500 31.080 0.420 1
1 478 . 15 1 1 A 38 38 GLU N N 38 123.100 124.460 -1.360 1
1 479 . 15 1 1 A 39 39 ILE H H 39 9.360 9.962 -0.602 1
1 480 . 15 1 1 A 39 39 ILE HA H 39 4.600 4.752 -0.152 1
1 490 . 15 1 1 A 39 39 ILE C C 39 173.700 174.534 -0.834 1
1 491 . 15 1 1 A 39 39 ILE CA C 39 60.500 60.241 0.259 1
1 492 . 15 1 1 A 39 39 ILE CB C 39 41.300 40.215 1.085 1
1 496 . 15 1 1 A 39 39 ILE N N 39 124.000 124.544 -0.544 1
1 497 . 15 1 1 A 40 40 TYR H H 40 8.540 9.100 -0.560 1
1 498 . 15 1 1 A 40 40 TYR HA H 40 5.340 4.747 0.593 1
1 505 . 15 1 1 A 40 40 TYR C C 40 175.000 174.649 0.351 1
1 506 . 15 1 1 A 40 40 TYR CA C 40 55.900 56.798 -0.898 1
1 507 . 15 1 1 A 40 40 TYR CB C 40 40.900 38.987 1.913 1
1 510 . 15 1 1 A 40 40 TYR N N 40 127.000 128.880 -1.880 1
1 511 . 15 1 1 A 41 41 ILE H H 41 7.850 8.873 -1.023 1
1 512 . 15 1 1 A 41 41 ILE HA H 41 3.910 3.923 -0.013 1
1 522 . 15 1 1 A 41 41 ILE C C 41 173.600 175.779 -2.179 1
1 523 . 15 1 1 A 41 41 ILE CA C 41 61.500 61.338 0.162 1
1 524 . 15 1 1 A 41 41 ILE CB C 41 35.800 36.664 -0.864 1
1 528 . 15 1 1 A 41 41 ILE N N 41 127.800 128.691 -0.891 1
1 529 . 15 1 1 A 42 42 ARG H H 42 8.460 8.679 -0.219 1
1 530 . 15 1 1 A 42 42 ARG HA H 42 4.110 3.790 0.320 1
1 537 . 15 1 1 A 42 42 ARG C C 42 176.500 175.540 0.960 1
1 538 . 15 1 1 A 42 42 ARG CA C 42 57.700 58.001 -0.301 1
1 539 . 15 1 1 A 42 42 ARG CB C 42 31.400 31.258 0.142 1
1 542 . 15 1 1 A 42 42 ARG N N 42 128.100 129.789 -1.689 1
1 543 . 15 1 1 A 43 43 LYS H H 43 7.920 7.336 0.584 1
1 544 . 15 1 1 A 43 43 LYS HA H 43 4.530 4.701 -0.171 1
1 553 . 15 1 1 A 43 43 LYS C C 43 173.100 174.044 -0.944 1
1 554 . 15 1 1 A 43 43 LYS CA C 43 56.400 55.928 0.472 1
1 555 . 15 1 1 A 43 43 LYS CB C 43 36.100 35.844 0.256 1
1 559 . 15 1 1 A 43 43 LYS N N 43 116.400 118.338 -1.938 1
1 560 . 15 1 1 A 44 44 VAL H H 44 8.450 8.952 -0.502 1
1 561 . 15 1 1 A 44 44 VAL HA H 44 4.260 4.623 -0.363 1
1 569 . 15 1 1 A 44 44 VAL C C 44 175.000 175.286 -0.286 1
1 570 . 15 1 1 A 44 44 VAL CA C 44 61.500 60.928 0.572 1
1 571 . 15 1 1 A 44 44 VAL CB C 44 34.200 33.900 0.300 1
1 574 . 15 1 1 A 44 44 VAL N N 44 123.900 127.292 -3.392 1
1 575 . 15 1 1 A 45 45 ALA H H 45 7.550 8.530 -0.980 1
1 576 . 15 1 1 A 45 45 ALA HA H 45 4.480 4.540 -0.060 1
1 580 . 15 1 1 A 45 45 ALA CA C 45 51.500 50.567 0.933 1
1 581 . 15 1 1 A 45 45 ALA CB C 45 17.600 17.957 -0.357 1
1 582 . 15 1 1 A 45 45 ALA N N 45 129.600 129.768 -0.168 1
1 583 . 15 1 1 A 46 46 PRO HA H 46 4.290 4.394 -0.104 1
1 590 . 15 1 1 A 46 46 PRO C C 46 177.800 177.075 0.725 1
1 591 . 15 1 1 A 46 46 PRO CA C 46 65.500 64.379 1.121 1
1 592 . 15 1 1 A 46 46 PRO CB C 46 31.600 31.956 -0.356 1
1 595 . 15 1 1 A 47 47 LEU H H 47 8.330 7.535 0.795 1
1 596 . 15 1 1 A 47 47 LEU HA H 47 4.330 4.437 -0.107 1
1 606 . 15 1 1 A 47 47 LEU C C 47 178.000 177.761 0.239 1
1 607 . 15 1 1 A 47 47 LEU CA C 47 55.300 53.985 1.315 1
1 608 . 15 1 1 A 47 47 LEU CB C 47 40.300 41.806 -1.506 1
1 612 . 15 1 1 A 47 47 LEU N N 47 115.100 115.051 0.049 1
1 613 . 15 1 1 A 48 48 GLY H H 48 8.420 8.727 -0.307 1
1 614 . 15 1 1 A 48 48 GLY HA2 H 48 4.090 3.992 0.098 1
1 615 . 15 1 1 A 48 48 GLY HA3 H 48 3.490 3.995 -0.505 1
1 616 . 15 1 1 A 48 48 GLY C C 48 171.900 173.108 -1.208 1
1 617 . 15 1 1 A 48 48 GLY CA C 48 45.500 45.812 -0.312 1
1 618 . 15 1 1 A 48 48 GLY N N 48 107.400 110.036 -2.636 1
1 619 . 15 1 1 A 49 49 ASP H H 49 6.850 8.011 -1.161 1
1 620 . 15 1 1 A 49 49 ASP HA H 49 5.050 5.233 -0.183 1
1 623 . 15 1 1 A 49 49 ASP CA C 49 50.200 51.389 -1.189 1
1 624 . 15 1 1 A 49 49 ASP CB C 49 45.300 43.736 1.564 1
1 625 . 15 1 1 A 49 49 ASP N N 49 116.000 120.133 -4.133 1
1 626 . 15 1 1 A 50 50 PRO HA H 50 5.450 4.549 0.901 1
1 633 . 15 1 1 A 50 50 PRO C C 50 174.900 175.776 -0.876 1
1 634 . 15 1 1 A 50 50 PRO CA C 50 63.900 62.533 1.367 1
1 635 . 15 1 1 A 50 50 PRO CB C 50 35.600 32.556 3.044 1
1 638 . 15 1 1 A 51 51 ILE H H 51 8.980 8.725 0.255 1
1 639 . 15 1 1 A 51 51 ILE HA H 51 4.400 4.379 0.021 1
1 649 . 15 1 1 A 51 51 ILE C C 51 174.500 175.388 -0.888 1
1 650 . 15 1 1 A 51 51 ILE CA C 51 61.100 60.552 0.548 1
1 651 . 15 1 1 A 51 51 ILE CB C 51 40.900 38.754 2.146 1
1 655 . 15 1 1 A 51 51 ILE N N 51 118.100 122.869 -4.769 1
1 656 . 15 1 1 A 52 52 GLN H H 52 9.060 8.863 0.197 1
1 657 . 15 1 1 A 52 52 GLN HA H 52 5.160 5.266 -0.106 1
1 664 . 15 1 1 A 52 52 GLN C C 52 175.800 175.697 0.103 1
1 665 . 15 1 1 A 52 52 GLN CA C 52 54.900 55.704 -0.804 1
1 666 . 15 1 1 A 52 52 GLN CB C 52 29.600 29.839 -0.239 1
1 668 . 15 1 1 A 52 52 GLN N N 52 126.100 126.797 -0.697 1
1 670 . 15 1 1 A 53 53 ILE H H 53 9.080 9.034 0.046 1
1 671 . 15 1 1 A 53 53 ILE HA H 53 5.440 4.906 0.534 1
1 681 . 15 1 1 A 53 53 ILE C C 53 174.000 174.162 -0.162 1
1 682 . 15 1 1 A 53 53 ILE CA C 53 58.700 58.994 -0.294 1
1 683 . 15 1 1 A 53 53 ILE CB C 53 41.500 41.063 0.437 1
1 687 . 15 1 1 A 53 53 ILE N N 53 117.600 119.441 -1.841 1
1 688 . 15 1 1 A 54 54 ASN H H 54 9.360 9.004 0.356 1
1 689 . 15 1 1 A 54 54 ASN HA H 54 5.840 5.305 0.535 1
1 694 . 15 1 1 A 54 54 ASN C C 54 174.800 174.438 0.362 1
1 695 . 15 1 1 A 54 54 ASN CA C 54 52.300 52.326 -0.026 1
1 696 . 15 1 1 A 54 54 ASN CB C 54 42.200 39.822 2.378 1
1 697 . 15 1 1 A 54 54 ASN N N 54 120.100 123.838 -3.738 1
1 699 . 15 1 1 A 55 55 VAL H H 55 8.900 9.252 -0.352 1
1 700 . 15 1 1 A 55 55 VAL HA H 55 4.480 4.580 -0.100 1
1 708 . 15 1 1 A 55 55 VAL C C 55 174.400 175.772 -1.372 1
1 709 . 15 1 1 A 55 55 VAL CA C 55 60.800 61.206 -0.406 1
1 710 . 15 1 1 A 55 55 VAL CB C 55 34.300 34.615 -0.315 1
1 713 . 15 1 1 A 55 55 VAL N N 55 124.400 126.317 -1.917 1
1 714 . 15 1 1 A 56 56 ARG H H 56 9.680 9.505 0.175 1
1 715 . 15 1 1 A 56 56 ARG HA H 56 3.880 4.029 -0.149 1
1 722 . 15 1 1 A 56 56 ARG C C 56 175.000 176.275 -1.275 1
1 723 . 15 1 1 A 56 56 ARG CA C 56 57.200 57.325 -0.125 1
1 724 . 15 1 1 A 56 56 ARG CB C 56 28.400 28.212 0.188 1
1 727 . 15 1 1 A 56 56 ARG N N 56 125.100 127.759 -2.659 1
1 728 . 15 1 1 A 57 57 GLY H H 57 8.130 8.379 -0.249 1
1 729 . 15 1 1 A 57 57 GLY HA2 H 57 4.130 3.682 0.448 1
1 730 . 15 1 1 A 57 57 GLY HA3 H 57 3.610 3.789 -0.179 1
1 731 . 15 1 1 A 57 57 GLY C C 57 174.300 173.997 0.303 1
1 732 . 15 1 1 A 57 57 GLY CA C 57 45.300 45.204 0.096 1
1 733 . 15 1 1 A 57 57 GLY N N 57 103.500 105.722 -2.222 1
1 734 . 15 1 1 A 58 58 TYR H H 58 8.180 7.895 0.285 1
1 735 . 15 1 1 A 58 58 TYR HA H 58 4.750 4.596 0.154 1
1 742 . 15 1 1 A 58 58 TYR C C 58 174.500 175.549 -1.049 1
1 743 . 15 1 1 A 58 58 TYR CA C 58 56.600 58.165 -1.565 1
1 744 . 15 1 1 A 58 58 TYR CB C 58 39.500 39.619 -0.119 1
1 747 . 15 1 1 A 58 58 TYR N N 58 121.300 120.190 1.110 1
1 748 . 15 1 1 A 59 59 GLU H H 59 8.480 8.795 -0.315 1
1 749 . 15 1 1 A 59 59 GLU HA H 59 5.120 5.287 -0.167 1
1 754 . 15 1 1 A 59 59 GLU C C 59 178.400 175.465 2.935 1
1 755 . 15 1 1 A 59 59 GLU CA C 59 55.200 55.612 -0.412 1
1 756 . 15 1 1 A 59 59 GLU CB C 59 30.400 31.375 -0.975 1
1 758 . 15 1 1 A 59 59 GLU N N 59 122.400 121.843 0.557 1
1 759 . 15 1 1 A 60 60 LEU H H 60 8.900 9.545 -0.645 1
1 760 . 15 1 1 A 60 60 LEU HA H 60 4.830 4.750 0.080 1
1 770 . 15 1 1 A 60 60 LEU C C 60 175.100 176.770 -1.670 1
1 771 . 15 1 1 A 60 60 LEU CA C 60 53.800 53.780 0.020 1
1 772 . 15 1 1 A 60 60 LEU CB C 60 46.200 43.233 2.967 1
1 776 . 15 1 1 A 60 60 LEU N N 60 124.600 127.075 -2.475 1
1 777 . 15 1 1 A 61 61 SER H H 61 8.390 9.072 -0.682 1
1 778 . 15 1 1 A 61 61 SER HA H 61 5.150 5.032 0.118 1
1 781 . 15 1 1 A 61 61 SER C C 61 173.300 173.019 0.281 1
1 782 . 15 1 1 A 61 61 SER CA C 61 56.600 57.809 -1.209 1
1 783 . 15 1 1 A 61 61 SER CB C 61 63.900 63.773 0.127 1
1 784 . 15 1 1 A 61 61 SER N N 61 116.100 119.876 -3.776 1
1 785 . 15 1 1 A 62 62 LEU H H 62 9.190 9.270 -0.080 1
1 786 . 15 1 1 A 62 62 LEU HA H 62 4.700 5.043 -0.343 1
1 796 . 15 1 1 A 62 62 LEU C C 62 175.800 175.595 0.205 1
1 797 . 15 1 1 A 62 62 LEU CA C 62 53.000 53.539 -0.539 1
1 798 . 15 1 1 A 62 62 LEU CB C 62 45.900 44.721 1.179 1
1 802 . 15 1 1 A 62 62 LEU N N 62 126.800 129.592 -2.792 1
1 803 . 15 1 1 A 63 63 ARG H H 63 8.670 8.564 0.106 1
1 804 . 15 1 1 A 63 63 ARG HA H 63 4.640 4.274 0.366 1
1 811 . 15 1 1 A 63 63 ARG C C 63 176.000 177.189 -1.189 1
1 812 . 15 1 1 A 63 63 ARG CA C 63 53.700 56.667 -2.967 1
1 813 . 15 1 1 A 63 63 ARG CB C 63 29.100 31.505 -2.405 1
1 816 . 15 1 1 A 63 63 ARG N N 63 120.600 125.997 -5.397 1
1 817 . 15 1 1 A 64 64 LYS H H 64 8.900 8.703 0.197 1
1 818 . 15 1 1 A 64 64 LYS HA H 64 3.800 4.019 -0.219 1
1 827 . 15 1 1 A 64 64 LYS C C 64 177.100 178.448 -1.348 1
1 828 . 15 1 1 A 64 64 LYS CA C 64 60.200 58.925 1.275 1
1 829 . 15 1 1 A 64 64 LYS CB C 64 32.300 31.923 0.377 1
1 833 . 15 1 1 A 64 64 LYS N N 64 124.600 124.470 0.130 1
1 834 . 15 1 1 A 65 65 SER H H 65 8.380 8.344 0.036 1
1 835 . 15 1 1 A 65 65 SER HA H 65 4.130 4.174 -0.044 1
1 838 . 15 1 1 A 65 65 SER C C 65 176.000 177.031 -1.031 1
1 839 . 15 1 1 A 65 65 SER CA C 65 60.300 61.315 -1.015 1
1 840 . 15 1 1 A 65 65 SER CB C 65 61.900 62.164 -0.264 1
1 841 . 15 1 1 A 65 65 SER N N 65 110.900 114.749 -3.849 1
1 842 . 15 1 1 A 66 66 ALA H H 66 6.910 8.027 -1.117 1
1 843 . 15 1 1 A 66 66 ALA HA H 66 4.290 4.145 0.145 1
1 847 . 15 1 1 A 66 66 ALA C C 66 178.800 180.046 -1.246 1
1 848 . 15 1 1 A 66 66 ALA CA C 66 54.000 54.972 -0.972 1
1 849 . 15 1 1 A 66 66 ALA CB C 66 18.800 18.342 0.458 1
1 850 . 15 1 1 A 66 66 ALA N N 66 122.600 123.282 -0.682 1
1 851 . 15 1 1 A 67 67 ALA H H 67 8.050 7.899 0.151 1
1 852 . 15 1 1 A 67 67 ALA HA H 67 3.850 4.029 -0.179 1
1 856 . 15 1 1 A 67 67 ALA C C 67 178.800 178.245 0.555 1
1 857 . 15 1 1 A 67 67 ALA CA C 67 54.900 54.549 0.351 1
1 858 . 15 1 1 A 67 67 ALA CB C 67 18.700 18.247 0.453 1
1 859 . 15 1 1 A 67 67 ALA N N 67 118.800 120.530 -1.730 1
1 860 . 15 1 1 A 68 68 GLU H H 68 7.910 7.718 0.192 1
1 861 . 15 1 1 A 68 68 GLU HA H 68 4.150 4.090 0.060 1
1 866 . 15 1 1 A 68 68 GLU C C 68 175.900 177.400 -1.500 1
1 867 . 15 1 1 A 68 68 GLU CA C 68 57.200 58.182 -0.982 1
1 868 . 15 1 1 A 68 68 GLU CB C 68 29.800 29.914 -0.114 1
1 870 . 15 1 1 A 68 68 GLU N N 68 113.100 117.232 -4.132 1
1 871 . 15 1 1 A 69 69 MET H H 69 7.360 7.848 -0.488 1
1 872 . 15 1 1 A 69 69 MET HA H 69 4.590 4.567 0.023 1
1 880 . 15 1 1 A 69 69 MET C C 69 174.400 175.985 -1.585 1
1 881 . 15 1 1 A 69 69 MET CA C 69 53.800 55.927 -2.127 1
1 882 . 15 1 1 A 69 69 MET CB C 69 32.400 33.034 -0.634 1
1 885 . 15 1 1 A 69 69 MET N N 69 114.100 117.788 -3.688 1
1 886 . 15 1 1 A 70 70 ILE H H 70 7.310 7.256 0.054 1
1 887 . 15 1 1 A 70 70 ILE HA H 70 4.260 4.394 -0.134 1
1 897 . 15 1 1 A 70 70 ILE C C 70 174.100 175.456 -1.356 1
1 898 . 15 1 1 A 70 70 ILE CA C 70 60.900 60.436 0.464 1
1 899 . 15 1 1 A 70 70 ILE CB C 70 38.700 39.028 -0.328 1
1 903 . 15 1 1 A 70 70 ILE N N 70 120.300 120.035 0.265 1
1 904 . 15 1 1 A 71 71 GLU H H 71 8.910 9.144 -0.234 1
1 905 . 15 1 1 A 71 71 GLU HA H 71 4.750 5.372 -0.622 1
1 910 . 15 1 1 A 71 71 GLU C C 71 177.100 175.849 1.251 1
1 911 . 15 1 1 A 71 71 GLU CA C 71 55.900 55.288 0.612 1
1 912 . 15 1 1 A 71 71 GLU CB C 71 30.600 32.198 -1.598 1
1 914 . 15 1 1 A 71 71 GLU N N 71 129.500 125.285 4.215 1
1 915 . 15 1 1 A 72 72 VAL H H 72 8.880 9.500 -0.620 1
1 916 . 15 1 1 A 72 72 VAL HA H 72 5.520 5.217 0.303 1
1 924 . 15 1 1 A 72 72 VAL C C 72 173.200 174.108 -0.908 1
1 925 . 15 1 1 A 72 72 VAL CA C 72 58.500 58.839 -0.339 1
1 926 . 15 1 1 A 72 72 VAL CB C 72 36.200 36.428 -0.228 1
1 929 . 15 1 1 A 72 72 VAL N N 72 119.400 118.360 1.040 1
1 930 . 15 1 1 A 73 73 GLU H H 73 8.720 9.185 -0.465 1
1 931 . 15 1 1 A 73 73 GLU HA H 73 4.750 4.875 -0.125 1
1 936 . 15 1 1 A 73 73 GLU C C 73 175.300 174.882 0.418 1
1 937 . 15 1 1 A 73 73 GLU CA C 73 54.000 54.560 -0.560 1
1 938 . 15 1 1 A 73 73 GLU CB C 73 33.300 33.287 0.013 1
1 940 . 15 1 1 A 73 73 GLU N N 73 116.600 119.188 -2.588 1
1 941 . 15 1 1 A 74 74 LEU H H 74 8.780 8.229 0.551 1
1 942 . 15 1 1 A 74 74 LEU HA H 74 4.330 4.669 -0.339 1
1 952 . 15 1 1 A 74 74 LEU C C 74 176.400 175.554 0.846 1
1 953 . 15 1 1 A 74 74 LEU CA C 74 55.400 54.425 0.975 1
1 954 . 15 1 1 A 74 74 LEU CB C 74 42.600 42.332 0.268 1
1 958 . 15 1 1 A 74 74 LEU N N 74 124.100 125.656 -1.556 1
1 959 . 15 1 1 A 75 75 GLU H H 75 8.450 8.807 -0.357 1
1 960 . 15 1 1 A 75 75 GLU HA H 75 4.350 4.586 -0.236 1
1 965 . 15 1 1 A 75 75 GLU C C 75 175.700 175.881 -0.181 1
1 966 . 15 1 1 A 75 75 GLU CA C 75 55.800 56.375 -0.575 1
1 967 . 15 1 1 A 75 75 GLU CB C 75 30.500 29.799 0.701 1
1 969 . 15 1 1 A 75 75 GLU N N 75 123.500 127.169 -3.669 1
1 970 . 15 1 1 A 76 76 HIS H H 76 8.500 8.366 0.134 1
1 971 . 15 1 1 A 76 76 HIS HA H 76 4.590 4.888 -0.298 1
1 976 . 15 1 1 A 76 76 HIS C C 76 173.800 175.237 -1.437 1
1 977 . 15 1 1 A 76 76 HIS CA C 76 55.700 54.801 0.899 1
1 978 . 15 1 1 A 76 76 HIS CB C 76 30.200 31.176 -0.976 1
1 981 . 15 1 1 A 76 76 HIS N N 76 120.800 127.393 -6.593 1
1 982 . 15 1 1 A 77 77 HIS H H 77 8.100 7.700 0.400 1
1 983 . 15 1 1 A 77 77 HIS HA H 77 4.610 4.138 0.472 1
1 988 . 15 1 1 A 77 77 HIS C C 77 180.000 175.848 4.152 1
1 989 . 15 1 1 A 77 77 HIS CA C 77 56.400 59.477 -3.077 1
1 990 . 15 1 1 A 77 77 HIS CB C 77 29.900 29.849 0.051 1
1 993 . 15 1 1 A 77 77 HIS N N 77 125.100 118.887 6.213 1
1 994 . 15 1 1 A 78 78 HIS H H 78 8.250 7.832 0.418 1
1 995 . 15 1 1 A 78 78 HIS HA H 78 4.620 4.389 0.231 1
1 1000 . 15 1 1 A 78 78 HIS C C 78 180.000 174.558 5.442 1
1 1001 . 15 1 1 A 78 78 HIS CA C 78 56.400 54.663 1.737 1
1 1002 . 15 1 1 A 78 78 HIS CB C 78 29.900 28.867 1.033 1
1 1005 . 15 1 1 A 78 78 HIS N N 78 119.400 118.103 1.297 1
1 1006 . 15 1 1 A 79 79 HIS H H 79 8.250 8.230 0.020 1
1 1007 . 15 1 1 A 79 79 HIS HA H 79 4.620 4.476 0.144 1
1 1012 . 15 1 1 A 79 79 HIS C C 79 180.000 174.349 5.651 1
1 1013 . 15 1 1 A 79 79 HIS CA C 79 56.400 56.861 -0.461 1
1 1014 . 15 1 1 A 79 79 HIS CB C 79 29.900 31.638 -1.738 1
1 1017 . 15 1 1 A 79 79 HIS N N 79 119.400 125.212 -5.812 1
1 1018 . 15 1 1 A 80 80 HIS H H 80 8.250 7.924 0.326 1
1 1019 . 15 1 1 A 80 80 HIS HA H 80 4.620 4.435 0.185 1
1 1024 . 15 1 1 A 80 80 HIS C C 80 180.000 174.549 5.451 1
1 1025 . 15 1 1 A 80 80 HIS CA C 80 56.400 56.134 0.266 1
1 1026 . 15 1 1 A 80 80 HIS CB C 80 29.900 30.327 -0.427 1
1 1029 . 15 1 1 A 80 80 HIS N N 80 119.400 118.564 0.836 1
1 16 . 16 1 1 A 2 2 PHE H H 2 9.360 9.477 -0.117 1
1 17 . 16 1 1 A 2 2 PHE HA H 2 4.960 5.319 -0.359 1
1 25 . 16 1 1 A 2 2 PHE C C 2 173.300 174.047 -0.747 1
1 26 . 16 1 1 A 2 2 PHE CA C 2 56.400 55.367 1.033 1
1 27 . 16 1 1 A 2 2 PHE CB C 2 38.500 41.722 -3.222 1
1 31 . 16 1 1 A 2 2 PHE N N 2 127.300 127.877 -0.577 1
1 32 . 16 1 1 A 3 3 SER H H 3 9.150 8.785 0.365 1
1 33 . 16 1 1 A 3 3 SER HA H 3 5.590 4.834 0.756 1
1 36 . 16 1 1 A 3 3 SER C C 3 176.100 174.904 1.196 1
1 37 . 16 1 1 A 3 3 SER CA C 3 56.500 58.265 -1.765 1
1 38 . 16 1 1 A 3 3 SER CB C 3 68.100 63.795 4.305 1
1 39 . 16 1 1 A 3 3 SER N N 3 124.000 124.111 -0.111 1
1 40 . 16 1 1 A 4 4 LEU H H 4 8.540 8.381 0.159 1
1 41 . 16 1 1 A 4 4 LEU HA H 4 3.770 4.071 -0.301 1
1 51 . 16 1 1 A 4 4 LEU C C 4 177.200 178.332 -1.132 1
1 52 . 16 1 1 A 4 4 LEU CA C 4 57.300 57.909 -0.609 1
1 53 . 16 1 1 A 4 4 LEU CB C 4 41.600 41.797 -0.197 1
1 57 . 16 1 1 A 4 4 LEU N N 4 120.800 127.845 -7.045 1
1 58 . 16 1 1 A 5 5 ARG H H 5 7.150 8.657 -1.507 1
1 59 . 16 1 1 A 5 5 ARG HA H 5 3.830 4.053 -0.223 1
1 66 . 16 1 1 A 5 5 ARG C C 5 175.900 176.647 -0.747 1
1 67 . 16 1 1 A 5 5 ARG CA C 5 57.300 57.968 -0.668 1
1 68 . 16 1 1 A 5 5 ARG CB C 5 29.400 29.250 0.150 1
1 71 . 16 1 1 A 5 5 ARG N N 5 115.100 117.559 -2.459 1
1 72 . 16 1 1 A 6 6 ASP H H 6 7.600 7.593 0.007 1
1 73 . 16 1 1 A 6 6 ASP HA H 6 4.490 4.517 -0.027 1
1 76 . 16 1 1 A 6 6 ASP C C 6 175.700 175.733 -0.033 1
1 77 . 16 1 1 A 6 6 ASP CA C 6 54.700 54.255 0.445 1
1 78 . 16 1 1 A 6 6 ASP CB C 6 42.000 40.833 1.167 1
1 79 . 16 1 1 A 6 6 ASP N N 6 117.000 117.882 -0.882 1
1 80 . 16 1 1 A 7 7 ALA H H 7 6.990 7.217 -0.227 1
1 81 . 16 1 1 A 7 7 ALA HA H 7 4.390 4.566 -0.176 1
1 85 . 16 1 1 A 7 7 ALA C C 7 175.300 177.009 -1.709 1
1 86 . 16 1 1 A 7 7 ALA CA C 7 51.600 51.385 0.215 1
1 87 . 16 1 1 A 7 7 ALA CB C 7 19.500 20.050 -0.550 1
1 88 . 16 1 1 A 7 7 ALA N N 7 122.200 123.004 -0.804 1
1 89 . 16 1 1 A 8 8 LYS H H 8 8.270 9.215 -0.945 1
1 90 . 16 1 1 A 8 8 LYS HA H 8 4.480 4.669 -0.189 1
1 99 . 16 1 1 A 8 8 LYS C C 8 175.600 175.639 -0.039 1
1 100 . 16 1 1 A 8 8 LYS CA C 8 53.800 54.456 -0.656 1
1 101 . 16 1 1 A 8 8 LYS CB C 8 34.600 33.272 1.328 1
1 105 . 16 1 1 A 8 8 LYS N N 8 118.500 122.076 -3.576 1
1 106 . 16 1 1 A 9 9 CYS H H 9 8.400 8.490 -0.090 1
1 107 . 16 1 1 A 9 9 CYS HA H 9 3.630 4.204 -0.574 1
1 110 . 16 1 1 A 9 9 CYS C C 9 175.700 175.024 0.676 1
1 111 . 16 1 1 A 9 9 CYS CA C 9 60.300 60.532 -0.232 1
1 112 . 16 1 1 A 9 9 CYS CB C 9 26.700 27.053 -0.353 1
1 113 . 16 1 1 A 9 9 CYS N N 9 117.100 120.399 -3.299 1
1 114 . 16 1 1 A 10 10 GLY H H 10 8.950 8.804 0.146 1
1 115 . 16 1 1 A 10 10 GLY HA2 H 10 3.790 2.913 0.877 1
1 116 . 16 1 1 A 10 10 GLY HA3 H 10 4.350 3.628 0.722 1
1 117 . 16 1 1 A 10 10 GLY C C 10 174.600 174.277 0.323 1
1 118 . 16 1 1 A 10 10 GLY CA C 10 44.600 44.469 0.131 1
1 119 . 16 1 1 A 10 10 GLY N N 10 114.200 113.025 1.175 1
1 120 . 16 1 1 A 11 11 GLN H H 11 7.750 7.523 0.227 1
1 121 . 16 1 1 A 11 11 GLN HA H 11 4.500 4.608 -0.108 1
1 128 . 16 1 1 A 11 11 GLN C C 11 174.200 174.693 -0.493 1
1 129 . 16 1 1 A 11 11 GLN CA C 11 56.000 54.731 1.269 1
1 130 . 16 1 1 A 11 11 GLN CB C 11 29.400 30.275 -0.875 1
1 132 . 16 1 1 A 11 11 GLN N N 11 118.900 119.188 -0.288 1
1 134 . 16 1 1 A 12 12 THR H H 12 8.380 8.838 -0.458 1
1 135 . 16 1 1 A 12 12 THR HA H 12 5.330 5.523 -0.193 1
1 140 . 16 1 1 A 12 12 THR C C 12 174.100 174.302 -0.202 1
1 141 . 16 1 1 A 12 12 THR CA C 12 62.100 62.066 0.034 1
1 142 . 16 1 1 A 12 12 THR CB C 12 69.600 70.725 -1.125 1
1 144 . 16 1 1 A 12 12 THR N N 12 116.600 116.774 -0.174 1
1 145 . 16 1 1 A 13 13 VAL H H 13 9.190 9.619 -0.429 1
1 146 . 16 1 1 A 13 13 VAL HA H 13 5.140 5.150 -0.010 1
1 154 . 16 1 1 A 13 13 VAL C C 13 173.200 173.463 -0.263 1
1 155 . 16 1 1 A 13 13 VAL CA C 13 57.300 59.357 -2.057 1
1 156 . 16 1 1 A 13 13 VAL CB C 13 35.100 36.483 -1.383 1
1 159 . 16 1 1 A 13 13 VAL N N 13 117.500 120.010 -2.510 1
1 160 . 16 1 1 A 14 14 LYS H H 14 9.000 9.109 -0.109 1
1 161 . 16 1 1 A 14 14 LYS HA H 14 5.350 5.305 0.045 1
1 170 . 16 1 1 A 14 14 LYS C C 14 176.900 175.139 1.761 1
1 171 . 16 1 1 A 14 14 LYS CA C 14 53.800 54.686 -0.886 1
1 172 . 16 1 1 A 14 14 LYS CB C 14 35.500 36.018 -0.518 1
1 176 . 16 1 1 A 14 14 LYS N N 14 120.300 121.646 -1.346 1
1 177 . 16 1 1 A 15 15 VAL H H 15 8.620 8.734 -0.114 1
1 178 . 16 1 1 A 15 15 VAL HA H 15 3.880 4.038 -0.158 1
1 186 . 16 1 1 A 15 15 VAL C C 15 176.700 176.777 -0.077 1
1 187 . 16 1 1 A 15 15 VAL CA C 15 64.300 63.651 0.649 1
1 188 . 16 1 1 A 15 15 VAL CB C 15 31.500 31.651 -0.151 1
1 191 . 16 1 1 A 15 15 VAL N N 15 123.100 127.346 -4.246 1
1 192 . 16 1 1 A 16 16 VAL H H 16 9.580 9.117 0.463 1
1 193 . 16 1 1 A 16 16 VAL HA H 16 4.100 4.441 -0.341 1
1 201 . 16 1 1 A 16 16 VAL C C 16 175.300 175.593 -0.293 1
1 202 . 16 1 1 A 16 16 VAL CA C 16 63.400 62.379 1.021 1
1 203 . 16 1 1 A 16 16 VAL CB C 16 33.700 33.399 0.301 1
1 206 . 16 1 1 A 16 16 VAL N N 16 130.100 121.179 8.921 1
1 207 . 16 1 1 A 17 17 LYS H H 17 7.490 7.752 -0.262 1
1 208 . 16 1 1 A 17 17 LYS HA H 17 4.380 4.928 -0.548 1
1 217 . 16 1 1 A 17 17 LYS C C 17 172.900 174.098 -1.198 1
1 218 . 16 1 1 A 17 17 LYS CA C 17 56.200 55.369 0.831 1
1 219 . 16 1 1 A 17 17 LYS CB C 17 35.500 35.968 -0.468 1
1 223 . 16 1 1 A 17 17 LYS N N 17 116.800 121.537 -4.737 1
1 224 . 16 1 1 A 18 18 LEU H H 18 8.520 8.997 -0.477 1
1 225 . 16 1 1 A 18 18 LEU HA H 18 4.890 4.724 0.166 1
1 235 . 16 1 1 A 18 18 LEU C C 18 175.600 176.702 -1.102 1
1 236 . 16 1 1 A 18 18 LEU CA C 18 53.800 53.447 0.353 1
1 237 . 16 1 1 A 18 18 LEU CB C 18 42.500 42.478 0.022 1
1 241 . 16 1 1 A 18 18 LEU N N 18 124.100 127.626 -3.526 1
1 242 . 16 1 1 A 19 19 HIS H H 19 8.790 8.185 0.605 1
1 243 . 16 1 1 A 19 19 HIS HA H 19 4.620 4.723 -0.103 1
1 248 . 16 1 1 A 19 19 HIS C C 19 173.000 175.442 -2.442 1
1 249 . 16 1 1 A 19 19 HIS CA C 19 55.500 56.843 -1.343 1
1 250 . 16 1 1 A 19 19 HIS CB C 19 32.800 29.766 3.034 1
1 253 . 16 1 1 A 19 19 HIS N N 19 122.700 122.861 -0.161 1
1 254 . 16 1 1 A 20 20 GLY H H 20 8.100 7.788 0.312 1
1 255 . 16 1 1 A 20 20 GLY HA2 H 20 3.920 4.008 -0.088 1
1 256 . 16 1 1 A 20 20 GLY HA3 H 20 4.510 4.018 0.492 1
1 257 . 16 1 1 A 20 20 GLY C C 20 174.500 173.318 1.182 1
1 258 . 16 1 1 A 20 20 GLY CA C 20 44.200 44.909 -0.709 1
1 259 . 16 1 1 A 20 20 GLY N N 20 103.400 107.163 -3.763 1
1 260 . 16 1 1 A 21 21 THR H H 21 7.750 8.477 -0.727 1
1 261 . 16 1 1 A 21 21 THR HA H 21 4.450 4.689 -0.239 1
1 266 . 16 1 1 A 21 21 THR C C 21 175.400 176.637 -1.237 1
1 267 . 16 1 1 A 21 21 THR CA C 21 60.800 61.406 -0.606 1
1 268 . 16 1 1 A 21 21 THR CB C 21 70.900 69.861 1.039 1
1 270 . 16 1 1 A 21 21 THR N N 21 108.600 114.001 -5.401 1
1 271 . 16 1 1 A 22 22 GLY H H 22 8.780 8.744 0.036 1
1 272 . 16 1 1 A 22 22 GLY HA2 H 22 3.750 3.771 -0.021 1
1 273 . 16 1 1 A 22 22 GLY HA3 H 22 4.030 3.773 0.257 1
1 274 . 16 1 1 A 22 22 GLY C C 22 176.200 176.093 0.107 1
1 275 . 16 1 1 A 22 22 GLY CA C 22 47.300 47.389 -0.089 1
1 276 . 16 1 1 A 22 22 GLY N N 22 108.600 111.938 -3.338 1
1 277 . 16 1 1 A 23 23 ALA H H 23 8.480 7.968 0.512 1
1 278 . 16 1 1 A 23 23 ALA HA H 23 4.080 4.002 0.078 1
1 282 . 16 1 1 A 23 23 ALA C C 23 180.100 180.274 -0.174 1
1 283 . 16 1 1 A 23 23 ALA CA C 23 54.700 54.598 0.102 1
1 284 . 16 1 1 A 23 23 ALA CB C 23 18.400 18.481 -0.081 1
1 285 . 16 1 1 A 23 23 ALA N N 23 123.300 125.369 -2.069 1
1 286 . 16 1 1 A 24 24 LEU H H 24 7.830 8.000 -0.170 1
1 287 . 16 1 1 A 24 24 LEU HA H 24 4.120 4.025 0.095 1
1 297 . 16 1 1 A 24 24 LEU C C 24 178.600 179.109 -0.509 1
1 298 . 16 1 1 A 24 24 LEU CA C 24 57.800 57.687 0.113 1
1 299 . 16 1 1 A 24 24 LEU CB C 24 41.100 41.458 -0.358 1
1 303 . 16 1 1 A 24 24 LEU N N 24 120.400 119.843 0.557 1
1 304 . 16 1 1 A 25 25 LYS H H 25 7.960 8.748 -0.788 1
1 305 . 16 1 1 A 25 25 LYS HA H 25 3.750 3.839 -0.089 1
1 314 . 16 1 1 A 25 25 LYS C C 25 178.300 178.945 -0.645 1
1 315 . 16 1 1 A 25 25 LYS CA C 25 60.400 60.405 -0.005 1
1 316 . 16 1 1 A 25 25 LYS CB C 25 32.000 32.368 -0.368 1
1 320 . 16 1 1 A 25 25 LYS N N 25 118.000 117.134 0.866 1
1 321 . 16 1 1 A 26 26 ARG H H 26 7.890 8.264 -0.374 1
1 322 . 16 1 1 A 26 26 ARG HA H 26 3.970 4.014 -0.044 1
1 329 . 16 1 1 A 26 26 ARG C C 26 177.700 178.361 -0.661 1
1 330 . 16 1 1 A 26 26 ARG CA C 26 58.700 59.170 -0.470 1
1 331 . 16 1 1 A 26 26 ARG CB C 26 30.000 29.910 0.090 1
1 334 . 16 1 1 A 26 26 ARG N N 26 117.100 119.472 -2.372 1
1 335 . 16 1 1 A 27 27 ARG H H 27 7.660 7.520 0.140 1
1 336 . 16 1 1 A 27 27 ARG HA H 27 4.100 4.062 0.038 1
1 343 . 16 1 1 A 27 27 ARG C C 27 179.000 178.962 0.038 1
1 344 . 16 1 1 A 27 27 ARG CA C 27 59.100 58.831 0.269 1
1 345 . 16 1 1 A 27 27 ARG CB C 27 29.800 29.919 -0.119 1
1 348 . 16 1 1 A 27 27 ARG N N 27 118.600 119.614 -1.014 1
1 349 . 16 1 1 A 28 28 ILE H H 28 7.970 7.693 0.277 1
1 350 . 16 1 1 A 28 28 ILE HA H 28 3.740 3.792 -0.052 1
1 360 . 16 1 1 A 28 28 ILE C C 28 178.700 178.317 0.383 1
1 361 . 16 1 1 A 28 28 ILE CA C 28 64.800 64.762 0.038 1
1 362 . 16 1 1 A 28 28 ILE CB C 28 38.100 37.001 1.099 1
1 366 . 16 1 1 A 28 28 ILE N N 28 119.400 119.517 -0.117 1
1 367 . 16 1 1 A 29 29 MET H H 29 8.420 8.543 -0.123 1
1 368 . 16 1 1 A 29 29 MET HA H 29 4.370 4.224 0.146 1
1 376 . 16 1 1 A 29 29 MET C C 29 181.400 177.962 3.438 1
1 377 . 16 1 1 A 29 29 MET CA C 29 59.100 58.948 0.152 1
1 378 . 16 1 1 A 29 29 MET CB C 29 32.800 33.206 -0.406 1
1 381 . 16 1 1 A 29 29 MET N N 29 119.900 118.847 1.053 1
1 382 . 16 1 1 A 30 30 ASP H H 30 8.650 8.637 0.013 1
1 383 . 16 1 1 A 30 30 ASP HA H 30 4.440 4.358 0.082 1
1 386 . 16 1 1 A 30 30 ASP C C 30 178.200 178.377 -0.177 1
1 387 . 16 1 1 A 30 30 ASP CA C 30 56.700 57.706 -1.006 1
1 388 . 16 1 1 A 30 30 ASP CB C 30 39.900 42.187 -2.287 1
1 389 . 16 1 1 A 30 30 ASP N N 30 121.800 120.651 1.149 1
1 390 . 16 1 1 A 31 31 MET H H 31 7.570 7.350 0.220 1
1 391 . 16 1 1 A 31 31 MET HA H 31 4.290 4.405 -0.115 1
1 399 . 16 1 1 A 31 31 MET C C 31 175.700 176.254 -0.554 1
1 400 . 16 1 1 A 31 31 MET CA C 31 56.800 55.742 1.058 1
1 401 . 16 1 1 A 31 31 MET CB C 31 33.300 33.125 0.175 1
1 404 . 16 1 1 A 31 31 MET N N 31 117.500 117.680 -0.180 1
1 405 . 16 1 1 A 32 32 GLY H H 32 7.990 7.934 0.056 1
1 406 . 16 1 1 A 32 32 GLY HA2 H 32 4.270 4.010 0.260 1
1 407 . 16 1 1 A 32 32 GLY HA3 H 32 3.630 4.010 -0.380 1
1 408 . 16 1 1 A 32 32 GLY C C 32 173.600 174.347 -0.747 1
1 409 . 16 1 1 A 32 32 GLY CA C 32 44.200 44.886 -0.686 1
1 410 . 16 1 1 A 32 32 GLY N N 32 104.400 107.142 -2.742 1
1 411 . 16 1 1 A 33 33 ILE H H 33 7.140 7.465 -0.325 1
1 412 . 16 1 1 A 33 33 ILE HA H 33 4.120 4.068 0.052 1
1 422 . 16 1 1 A 33 33 ILE C C 33 172.400 175.408 -3.008 1
1 423 . 16 1 1 A 33 33 ILE CA C 33 61.700 61.565 0.135 1
1 424 . 16 1 1 A 33 33 ILE CB C 33 37.200 37.696 -0.496 1
1 428 . 16 1 1 A 33 33 ILE N N 33 120.800 122.162 -1.362 1
1 429 . 16 1 1 A 34 34 THR H H 34 6.930 8.459 -1.529 1
1 430 . 16 1 1 A 34 34 THR HA H 34 4.590 5.052 -0.462 1
1 435 . 16 1 1 A 34 34 THR C C 34 174.400 173.535 0.865 1
1 436 . 16 1 1 A 34 34 THR CA C 34 58.300 59.662 -1.362 1
1 437 . 16 1 1 A 34 34 THR CB C 34 72.200 72.410 -0.210 1
1 439 . 16 1 1 A 34 34 THR N N 34 113.300 117.313 -4.013 1
1 440 . 16 1 1 A 35 35 ARG H H 35 8.760 8.541 0.219 1
1 441 . 16 1 1 A 35 35 ARG HA H 35 3.520 4.175 -0.655 1
1 448 . 16 1 1 A 35 35 ARG C C 35 176.800 177.115 -0.315 1
1 449 . 16 1 1 A 35 35 ARG CA C 35 58.700 57.635 1.065 1
1 450 . 16 1 1 A 35 35 ARG CB C 35 29.700 30.011 -0.311 1
1 453 . 16 1 1 A 35 35 ARG N N 35 121.300 120.955 0.345 1
1 454 . 16 1 1 A 36 36 GLY H H 36 8.950 9.642 -0.692 1
1 455 . 16 1 1 A 36 36 GLY HA2 H 36 4.460 3.902 0.558 1
1 456 . 16 1 1 A 36 36 GLY HA3 H 36 3.560 3.905 -0.345 1
1 457 . 16 1 1 A 36 36 GLY C C 36 173.900 174.060 -0.160 1
1 458 . 16 1 1 A 36 36 GLY CA C 36 44.700 45.990 -1.290 1
1 459 . 16 1 1 A 36 36 GLY N N 36 114.200 112.104 2.096 1
1 460 . 16 1 1 A 37 37 CYS H H 37 7.950 7.913 0.037 1
1 461 . 16 1 1 A 37 37 CYS HA H 37 4.550 4.859 -0.309 1
1 464 . 16 1 1 A 37 37 CYS C C 37 172.900 173.562 -0.662 1
1 465 . 16 1 1 A 37 37 CYS CA C 37 59.200 57.309 1.891 1
1 466 . 16 1 1 A 37 37 CYS CB C 37 28.000 29.947 -1.947 1
1 467 . 16 1 1 A 37 37 CYS N N 37 118.400 118.414 -0.014 1
1 468 . 16 1 1 A 38 38 GLU H H 38 8.540 8.611 -0.071 1
1 469 . 16 1 1 A 38 38 GLU HA H 38 5.160 4.628 0.532 1
1 474 . 16 1 1 A 38 38 GLU C C 38 176.000 175.296 0.704 1
1 475 . 16 1 1 A 38 38 GLU CA C 38 55.300 56.079 -0.779 1
1 476 . 16 1 1 A 38 38 GLU CB C 38 31.500 30.469 1.031 1
1 478 . 16 1 1 A 38 38 GLU N N 38 123.100 124.211 -1.111 1
1 479 . 16 1 1 A 39 39 ILE H H 39 9.360 9.614 -0.254 1
1 480 . 16 1 1 A 39 39 ILE HA H 39 4.600 4.680 -0.080 1
1 490 . 16 1 1 A 39 39 ILE C C 39 173.700 173.915 -0.215 1
1 491 . 16 1 1 A 39 39 ILE CA C 39 60.500 60.377 0.123 1
1 492 . 16 1 1 A 39 39 ILE CB C 39 41.300 39.862 1.438 1
1 496 . 16 1 1 A 39 39 ILE N N 39 124.000 128.739 -4.739 1
1 497 . 16 1 1 A 40 40 TYR H H 40 8.540 9.155 -0.615 1
1 498 . 16 1 1 A 40 40 TYR HA H 40 5.340 5.283 0.057 1
1 505 . 16 1 1 A 40 40 TYR C C 40 175.000 174.033 0.967 1
1 506 . 16 1 1 A 40 40 TYR CA C 40 55.900 55.891 0.009 1
1 507 . 16 1 1 A 40 40 TYR CB C 40 40.900 40.749 0.151 1
1 510 . 16 1 1 A 40 40 TYR N N 40 127.000 128.856 -1.856 1
1 511 . 16 1 1 A 41 41 ILE H H 41 7.850 8.458 -0.608 1
1 512 . 16 1 1 A 41 41 ILE HA H 41 3.910 4.097 -0.187 1
1 522 . 16 1 1 A 41 41 ILE C C 41 173.600 175.075 -1.475 1
1 523 . 16 1 1 A 41 41 ILE CA C 41 61.500 60.637 0.863 1
1 524 . 16 1 1 A 41 41 ILE CB C 41 35.800 37.216 -1.416 1
1 528 . 16 1 1 A 41 41 ILE N N 41 127.800 127.567 0.233 1
1 529 . 16 1 1 A 42 42 ARG H H 42 8.460 9.146 -0.686 1
1 530 . 16 1 1 A 42 42 ARG HA H 42 4.110 4.303 -0.193 1
1 537 . 16 1 1 A 42 42 ARG C C 42 176.500 176.019 0.481 1
1 538 . 16 1 1 A 42 42 ARG CA C 42 57.700 57.946 -0.246 1
1 539 . 16 1 1 A 42 42 ARG CB C 42 31.400 31.027 0.373 1
1 542 . 16 1 1 A 42 42 ARG N N 42 128.100 127.562 0.538 1
1 543 . 16 1 1 A 43 43 LYS H H 43 7.920 7.270 0.650 1
1 544 . 16 1 1 A 43 43 LYS HA H 43 4.530 4.767 -0.237 1
1 553 . 16 1 1 A 43 43 LYS C C 43 173.100 173.893 -0.793 1
1 554 . 16 1 1 A 43 43 LYS CA C 43 56.400 55.897 0.503 1
1 555 . 16 1 1 A 43 43 LYS CB C 43 36.100 35.961 0.139 1
1 559 . 16 1 1 A 43 43 LYS N N 43 116.400 117.580 -1.180 1
1 560 . 16 1 1 A 44 44 VAL H H 44 8.450 8.820 -0.370 1
1 561 . 16 1 1 A 44 44 VAL HA H 44 4.260 4.583 -0.323 1
1 569 . 16 1 1 A 44 44 VAL C C 44 175.000 175.295 -0.295 1
1 570 . 16 1 1 A 44 44 VAL CA C 44 61.500 60.868 0.632 1
1 571 . 16 1 1 A 44 44 VAL CB C 44 34.200 33.792 0.408 1
1 574 . 16 1 1 A 44 44 VAL N N 44 123.900 126.464 -2.564 1
1 575 . 16 1 1 A 45 45 ALA H H 45 7.550 8.563 -1.013 1
1 576 . 16 1 1 A 45 45 ALA HA H 45 4.480 4.483 -0.003 1
1 580 . 16 1 1 A 45 45 ALA CA C 45 51.500 50.558 0.942 1
1 581 . 16 1 1 A 45 45 ALA CB C 45 17.600 17.846 -0.246 1
1 582 . 16 1 1 A 45 45 ALA N N 45 129.600 130.389 -0.789 1
1 583 . 16 1 1 A 46 46 PRO HA H 46 4.290 4.364 -0.074 1
1 590 . 16 1 1 A 46 46 PRO C C 46 177.800 177.929 -0.129 1
1 591 . 16 1 1 A 46 46 PRO CA C 46 65.500 64.489 1.011 1
1 592 . 16 1 1 A 46 46 PRO CB C 46 31.600 31.968 -0.368 1
1 595 . 16 1 1 A 47 47 LEU H H 47 8.330 8.124 0.206 1
1 596 . 16 1 1 A 47 47 LEU HA H 47 4.330 4.347 -0.017 1
1 606 . 16 1 1 A 47 47 LEU C C 47 178.000 176.989 1.011 1
1 607 . 16 1 1 A 47 47 LEU CA C 47 55.300 55.998 -0.698 1
1 608 . 16 1 1 A 47 47 LEU CB C 47 40.300 42.822 -2.522 1
1 612 . 16 1 1 A 47 47 LEU N N 47 115.100 117.264 -2.164 1
1 613 . 16 1 1 A 48 48 GLY H H 48 8.420 8.447 -0.027 1
1 614 . 16 1 1 A 48 48 GLY HA2 H 48 4.090 4.038 0.052 1
1 615 . 16 1 1 A 48 48 GLY HA3 H 48 3.490 4.042 -0.552 1
1 616 . 16 1 1 A 48 48 GLY C C 48 171.900 172.949 -1.049 1
1 617 . 16 1 1 A 48 48 GLY CA C 48 45.500 45.324 0.176 1
1 618 . 16 1 1 A 48 48 GLY N N 48 107.400 107.411 -0.011 1
1 619 . 16 1 1 A 49 49 ASP H H 49 6.850 7.715 -0.865 1
1 620 . 16 1 1 A 49 49 ASP HA H 49 5.050 5.099 -0.049 1
1 623 . 16 1 1 A 49 49 ASP CA C 49 50.200 51.855 -1.655 1
1 624 . 16 1 1 A 49 49 ASP CB C 49 45.300 42.540 2.760 1
1 625 . 16 1 1 A 49 49 ASP N N 49 116.000 116.594 -0.594 1
1 626 . 16 1 1 A 50 50 PRO HA H 50 5.450 4.539 0.911 1
1 633 . 16 1 1 A 50 50 PRO C C 50 174.900 175.899 -0.999 1
1 634 . 16 1 1 A 50 50 PRO CA C 50 63.900 62.514 1.386 1
1 635 . 16 1 1 A 50 50 PRO CB C 50 35.600 32.285 3.315 1
1 638 . 16 1 1 A 51 51 ILE H H 51 8.980 8.987 -0.007 1
1 639 . 16 1 1 A 51 51 ILE HA H 51 4.400 4.418 -0.018 1
1 649 . 16 1 1 A 51 51 ILE C C 51 174.500 175.450 -0.950 1
1 650 . 16 1 1 A 51 51 ILE CA C 51 61.100 60.710 0.390 1
1 651 . 16 1 1 A 51 51 ILE CB C 51 40.900 39.117 1.783 1
1 655 . 16 1 1 A 51 51 ILE N N 51 118.100 122.698 -4.598 1
1 656 . 16 1 1 A 52 52 GLN H H 52 9.060 9.033 0.027 1
1 657 . 16 1 1 A 52 52 GLN HA H 52 5.160 5.110 0.050 1
1 664 . 16 1 1 A 52 52 GLN C C 52 175.800 174.797 1.003 1
1 665 . 16 1 1 A 52 52 GLN CA C 52 54.900 55.498 -0.598 1
1 666 . 16 1 1 A 52 52 GLN CB C 52 29.600 29.938 -0.338 1
1 668 . 16 1 1 A 52 52 GLN N N 52 126.100 126.929 -0.829 1
1 670 . 16 1 1 A 53 53 ILE H H 53 9.080 9.299 -0.219 1
1 671 . 16 1 1 A 53 53 ILE HA H 53 5.440 4.996 0.444 1
1 681 . 16 1 1 A 53 53 ILE C C 53 174.000 174.297 -0.297 1
1 682 . 16 1 1 A 53 53 ILE CA C 53 58.700 59.579 -0.879 1
1 683 . 16 1 1 A 53 53 ILE CB C 53 41.500 41.814 -0.314 1
1 687 . 16 1 1 A 53 53 ILE N N 53 117.600 125.254 -7.654 1
1 688 . 16 1 1 A 54 54 ASN H H 54 9.360 9.305 0.055 1
1 689 . 16 1 1 A 54 54 ASN HA H 54 5.840 5.624 0.216 1
1 694 . 16 1 1 A 54 54 ASN C C 54 174.800 174.289 0.511 1
1 695 . 16 1 1 A 54 54 ASN CA C 54 52.300 51.910 0.390 1
1 696 . 16 1 1 A 54 54 ASN CB C 54 42.200 40.837 1.363 1
1 697 . 16 1 1 A 54 54 ASN N N 54 120.100 124.338 -4.238 1
1 699 . 16 1 1 A 55 55 VAL H H 55 8.900 9.014 -0.114 1
1 700 . 16 1 1 A 55 55 VAL HA H 55 4.480 4.559 -0.079 1
1 708 . 16 1 1 A 55 55 VAL C C 55 174.400 175.859 -1.459 1
1 709 . 16 1 1 A 55 55 VAL CA C 55 60.800 61.181 -0.381 1
1 710 . 16 1 1 A 55 55 VAL CB C 55 34.300 34.380 -0.080 1
1 713 . 16 1 1 A 55 55 VAL N N 55 124.400 126.259 -1.859 1
1 714 . 16 1 1 A 56 56 ARG H H 56 9.680 9.582 0.098 1
1 715 . 16 1 1 A 56 56 ARG HA H 56 3.880 4.018 -0.138 1
1 722 . 16 1 1 A 56 56 ARG C C 56 175.000 176.468 -1.468 1
1 723 . 16 1 1 A 56 56 ARG CA C 56 57.200 57.314 -0.114 1
1 724 . 16 1 1 A 56 56 ARG CB C 56 28.400 28.075 0.325 1
1 727 . 16 1 1 A 56 56 ARG N N 56 125.100 128.059 -2.959 1
1 728 . 16 1 1 A 57 57 GLY H H 57 8.130 8.608 -0.478 1
1 729 . 16 1 1 A 57 57 GLY HA2 H 57 4.130 3.835 0.295 1
1 730 . 16 1 1 A 57 57 GLY HA3 H 57 3.610 3.841 -0.231 1
1 731 . 16 1 1 A 57 57 GLY C C 57 174.300 173.582 0.718 1
1 732 . 16 1 1 A 57 57 GLY CA C 57 45.300 45.442 -0.142 1
1 733 . 16 1 1 A 57 57 GLY N N 57 103.500 105.409 -1.909 1
1 734 . 16 1 1 A 58 58 TYR H H 58 8.180 8.064 0.116 1
1 735 . 16 1 1 A 58 58 TYR HA H 58 4.750 4.620 0.130 1
1 742 . 16 1 1 A 58 58 TYR C C 58 174.500 175.710 -1.210 1
1 743 . 16 1 1 A 58 58 TYR CA C 58 56.600 57.500 -0.900 1
1 744 . 16 1 1 A 58 58 TYR CB C 58 39.500 40.020 -0.520 1
1 747 . 16 1 1 A 58 58 TYR N N 58 121.300 120.319 0.981 1
1 748 . 16 1 1 A 59 59 GLU H H 59 8.480 8.879 -0.399 1
1 749 . 16 1 1 A 59 59 GLU HA H 59 5.120 5.001 0.119 1
1 754 . 16 1 1 A 59 59 GLU C C 59 178.400 176.724 1.676 1
1 755 . 16 1 1 A 59 59 GLU CA C 59 55.200 56.945 -1.745 1
1 756 . 16 1 1 A 59 59 GLU CB C 59 30.400 30.331 0.069 1
1 758 . 16 1 1 A 59 59 GLU N N 59 122.400 123.720 -1.320 1
1 759 . 16 1 1 A 60 60 LEU H H 60 8.900 9.219 -0.319 1
1 760 . 16 1 1 A 60 60 LEU HA H 60 4.830 5.068 -0.238 1
1 770 . 16 1 1 A 60 60 LEU C C 60 175.100 175.608 -0.508 1
1 771 . 16 1 1 A 60 60 LEU CA C 60 53.800 53.537 0.263 1
1 772 . 16 1 1 A 60 60 LEU CB C 60 46.200 45.218 0.982 1
1 776 . 16 1 1 A 60 60 LEU N N 60 124.600 125.843 -1.243 1
1 777 . 16 1 1 A 61 61 SER H H 61 8.390 9.016 -0.626 1
1 778 . 16 1 1 A 61 61 SER HA H 61 5.150 5.210 -0.060 1
1 781 . 16 1 1 A 61 61 SER C C 61 173.300 173.119 0.181 1
1 782 . 16 1 1 A 61 61 SER CA C 61 56.600 57.962 -1.362 1
1 783 . 16 1 1 A 61 61 SER CB C 61 63.900 63.694 0.206 1
1 784 . 16 1 1 A 61 61 SER N N 61 116.100 122.341 -6.241 1
1 785 . 16 1 1 A 62 62 LEU H H 62 9.190 9.485 -0.295 1
1 786 . 16 1 1 A 62 62 LEU HA H 62 4.700 5.114 -0.414 1
1 796 . 16 1 1 A 62 62 LEU C C 62 175.800 176.206 -0.406 1
1 797 . 16 1 1 A 62 62 LEU CA C 62 53.000 53.391 -0.391 1
1 798 . 16 1 1 A 62 62 LEU CB C 62 45.900 44.839 1.061 1
1 802 . 16 1 1 A 62 62 LEU N N 62 126.800 129.741 -2.941 1
1 803 . 16 1 1 A 63 63 ARG H H 63 8.670 8.920 -0.250 1
1 804 . 16 1 1 A 63 63 ARG HA H 63 4.640 4.302 0.338 1
1 811 . 16 1 1 A 63 63 ARG C C 63 176.000 177.839 -1.839 1
1 812 . 16 1 1 A 63 63 ARG CA C 63 53.700 56.307 -2.607 1
1 813 . 16 1 1 A 63 63 ARG CB C 63 29.100 30.625 -1.525 1
1 816 . 16 1 1 A 63 63 ARG N N 63 120.600 125.220 -4.620 1
1 817 . 16 1 1 A 64 64 LYS H H 64 8.900 8.687 0.213 1
1 818 . 16 1 1 A 64 64 LYS HA H 64 3.800 4.023 -0.223 1
1 827 . 16 1 1 A 64 64 LYS C C 64 177.100 178.266 -1.166 1
1 828 . 16 1 1 A 64 64 LYS CA C 64 60.200 58.872 1.328 1
1 829 . 16 1 1 A 64 64 LYS CB C 64 32.300 31.928 0.372 1
1 833 . 16 1 1 A 64 64 LYS N N 64 124.600 123.973 0.627 1
1 834 . 16 1 1 A 65 65 SER H H 65 8.380 8.014 0.366 1
1 835 . 16 1 1 A 65 65 SER HA H 65 4.130 4.123 0.007 1
1 838 . 16 1 1 A 65 65 SER C C 65 176.000 176.491 -0.491 1
1 839 . 16 1 1 A 65 65 SER CA C 65 60.300 61.858 -1.558 1
1 840 . 16 1 1 A 65 65 SER CB C 65 61.900 62.703 -0.803 1
1 841 . 16 1 1 A 65 65 SER N N 65 110.900 117.591 -6.691 1
1 842 . 16 1 1 A 66 66 ALA H H 66 6.910 7.807 -0.897 1
1 843 . 16 1 1 A 66 66 ALA HA H 66 4.290 4.154 0.136 1
1 847 . 16 1 1 A 66 66 ALA C C 66 178.800 179.642 -0.842 1
1 848 . 16 1 1 A 66 66 ALA CA C 66 54.000 54.984 -0.984 1
1 849 . 16 1 1 A 66 66 ALA CB C 66 18.800 18.329 0.471 1
1 850 . 16 1 1 A 66 66 ALA N N 66 122.600 123.573 -0.973 1
1 851 . 16 1 1 A 67 67 ALA H H 67 8.050 7.997 0.053 1
1 852 . 16 1 1 A 67 67 ALA HA H 67 3.850 3.972 -0.122 1
1 856 . 16 1 1 A 67 67 ALA C C 67 178.800 178.559 0.241 1
1 857 . 16 1 1 A 67 67 ALA CA C 67 54.900 54.850 0.050 1
1 858 . 16 1 1 A 67 67 ALA CB C 67 18.700 18.447 0.253 1
1 859 . 16 1 1 A 67 67 ALA N N 67 118.800 120.167 -1.367 1
1 860 . 16 1 1 A 68 68 GLU H H 68 7.910 8.084 -0.174 1
1 861 . 16 1 1 A 68 68 GLU HA H 68 4.150 4.145 0.005 1
1 866 . 16 1 1 A 68 68 GLU C C 68 175.900 177.236 -1.336 1
1 867 . 16 1 1 A 68 68 GLU CA C 68 57.200 56.860 0.340 1
1 868 . 16 1 1 A 68 68 GLU CB C 68 29.800 29.293 0.507 1
1 870 . 16 1 1 A 68 68 GLU N N 68 113.100 114.494 -1.394 1
1 871 . 16 1 1 A 69 69 MET H H 69 7.360 7.965 -0.605 1
1 872 . 16 1 1 A 69 69 MET HA H 69 4.590 4.594 -0.004 1
1 880 . 16 1 1 A 69 69 MET C C 69 174.400 175.217 -0.817 1
1 881 . 16 1 1 A 69 69 MET CA C 69 53.800 54.824 -1.024 1
1 882 . 16 1 1 A 69 69 MET CB C 69 32.400 33.349 -0.949 1
1 885 . 16 1 1 A 69 69 MET N N 69 114.100 115.568 -1.468 1
1 886 . 16 1 1 A 70 70 ILE H H 70 7.310 7.459 -0.149 1
1 887 . 16 1 1 A 70 70 ILE HA H 70 4.260 4.465 -0.205 1
1 897 . 16 1 1 A 70 70 ILE C C 70 174.100 174.333 -0.233 1
1 898 . 16 1 1 A 70 70 ILE CA C 70 60.900 59.963 0.937 1
1 899 . 16 1 1 A 70 70 ILE CB C 70 38.700 39.700 -1.000 1
1 903 . 16 1 1 A 70 70 ILE N N 70 120.300 120.718 -0.418 1
1 904 . 16 1 1 A 71 71 GLU H H 71 8.910 8.891 0.019 1
1 905 . 16 1 1 A 71 71 GLU HA H 71 4.750 4.690 0.060 1
1 910 . 16 1 1 A 71 71 GLU C C 71 177.100 176.242 0.858 1
1 911 . 16 1 1 A 71 71 GLU CA C 71 55.900 55.599 0.301 1
1 912 . 16 1 1 A 71 71 GLU CB C 71 30.600 30.738 -0.138 1
1 914 . 16 1 1 A 71 71 GLU N N 71 129.500 127.835 1.665 1
1 915 . 16 1 1 A 72 72 VAL H H 72 8.880 9.280 -0.400 1
1 916 . 16 1 1 A 72 72 VAL HA H 72 5.520 5.317 0.203 1
1 924 . 16 1 1 A 72 72 VAL C C 72 173.200 174.290 -1.090 1
1 925 . 16 1 1 A 72 72 VAL CA C 72 58.500 58.768 -0.268 1
1 926 . 16 1 1 A 72 72 VAL CB C 72 36.200 36.276 -0.076 1
1 929 . 16 1 1 A 72 72 VAL N N 72 119.400 120.352 -0.952 1
1 930 . 16 1 1 A 73 73 GLU H H 73 8.720 9.157 -0.437 1
1 931 . 16 1 1 A 73 73 GLU HA H 73 4.750 4.994 -0.244 1
1 936 . 16 1 1 A 73 73 GLU C C 73 175.300 174.983 0.317 1
1 937 . 16 1 1 A 73 73 GLU CA C 73 54.000 54.192 -0.192 1
1 938 . 16 1 1 A 73 73 GLU CB C 73 33.300 33.490 -0.190 1
1 940 . 16 1 1 A 73 73 GLU N N 73 116.600 120.845 -4.245 1
1 941 . 16 1 1 A 74 74 LEU H H 74 8.780 8.193 0.587 1
1 942 . 16 1 1 A 74 74 LEU HA H 74 4.330 4.656 -0.326 1
1 952 . 16 1 1 A 74 74 LEU C C 74 176.400 176.422 -0.022 1
1 953 . 16 1 1 A 74 74 LEU CA C 74 55.400 54.396 1.004 1
1 954 . 16 1 1 A 74 74 LEU CB C 74 42.600 43.041 -0.441 1
1 958 . 16 1 1 A 74 74 LEU N N 74 124.100 121.909 2.191 1
1 959 . 16 1 1 A 75 75 GLU H H 75 8.450 8.504 -0.054 1
1 960 . 16 1 1 A 75 75 GLU HA H 75 4.350 4.192 0.158 1
1 965 . 16 1 1 A 75 75 GLU C C 75 175.700 176.290 -0.590 1
1 966 . 16 1 1 A 75 75 GLU CA C 75 55.800 54.447 1.353 1
1 967 . 16 1 1 A 75 75 GLU CB C 75 30.500 32.126 -1.626 1
1 969 . 16 1 1 A 75 75 GLU N N 75 123.500 124.512 -1.012 1
1 970 . 16 1 1 A 76 76 HIS H H 76 8.500 8.739 -0.239 1
1 971 . 16 1 1 A 76 76 HIS HA H 76 4.590 4.522 0.068 1
1 976 . 16 1 1 A 76 76 HIS C C 76 173.800 175.697 -1.897 1
1 977 . 16 1 1 A 76 76 HIS CA C 76 55.700 56.953 -1.253 1
1 978 . 16 1 1 A 76 76 HIS CB C 76 30.200 29.623 0.577 1
1 981 . 16 1 1 A 76 76 HIS N N 76 120.800 119.916 0.884 1
1 982 . 16 1 1 A 77 77 HIS H H 77 8.100 8.334 -0.234 1
1 983 . 16 1 1 A 77 77 HIS HA H 77 4.610 4.748 -0.138 1
1 988 . 16 1 1 A 77 77 HIS C C 77 180.000 174.730 5.270 1
1 989 . 16 1 1 A 77 77 HIS CA C 77 56.400 54.651 1.749 1
1 990 . 16 1 1 A 77 77 HIS CB C 77 29.900 29.156 0.744 1
1 993 . 16 1 1 A 77 77 HIS N N 77 125.100 121.095 4.005 1
1 994 . 16 1 1 A 78 78 HIS H H 78 8.250 8.092 0.158 1
1 995 . 16 1 1 A 78 78 HIS HA H 78 4.620 5.230 -0.610 1
1 1000 . 16 1 1 A 78 78 HIS C C 78 180.000 174.500 5.500 1
1 1001 . 16 1 1 A 78 78 HIS CA C 78 56.400 54.391 2.009 1
1 1002 . 16 1 1 A 78 78 HIS CB C 78 29.900 30.943 -1.043 1
1 1005 . 16 1 1 A 78 78 HIS N N 78 119.400 117.713 1.687 1
1 1006 . 16 1 1 A 79 79 HIS H H 79 8.250 9.122 -0.872 1
1 1007 . 16 1 1 A 79 79 HIS HA H 79 4.620 4.660 -0.040 1
1 1012 . 16 1 1 A 79 79 HIS C C 79 180.000 176.743 3.257 1
1 1013 . 16 1 1 A 79 79 HIS CA C 79 56.400 56.596 -0.196 1
1 1014 . 16 1 1 A 79 79 HIS CB C 79 29.900 31.707 -1.807 1
1 1017 . 16 1 1 A 79 79 HIS N N 79 119.400 124.780 -5.380 1
1 1018 . 16 1 1 A 80 80 HIS H H 80 8.250 8.265 -0.015 1
1 1019 . 16 1 1 A 80 80 HIS HA H 80 4.620 4.488 0.132 1
1 1024 . 16 1 1 A 80 80 HIS C C 80 180.000 175.753 4.247 1
1 1025 . 16 1 1 A 80 80 HIS CA C 80 56.400 57.696 -1.296 1
1 1026 . 16 1 1 A 80 80 HIS CB C 80 29.900 30.846 -0.946 1
1 1029 . 16 1 1 A 80 80 HIS N N 80 119.400 115.989 3.411 1
1 16 . 17 1 1 A 2 2 PHE H H 2 9.360 9.068 0.292 1
1 17 . 17 1 1 A 2 2 PHE HA H 2 4.960 5.062 -0.102 1
1 25 . 17 1 1 A 2 2 PHE C C 2 173.300 174.252 -0.952 1
1 26 . 17 1 1 A 2 2 PHE CA C 2 56.400 56.326 0.074 1
1 27 . 17 1 1 A 2 2 PHE CB C 2 38.500 40.646 -2.146 1
1 31 . 17 1 1 A 2 2 PHE N N 2 127.300 128.645 -1.345 1
1 32 . 17 1 1 A 3 3 SER H H 3 9.150 8.669 0.481 1
1 33 . 17 1 1 A 3 3 SER HA H 3 5.590 4.517 1.073 1
1 36 . 17 1 1 A 3 3 SER C C 3 176.100 174.802 1.298 1
1 37 . 17 1 1 A 3 3 SER CA C 3 56.500 59.215 -2.715 1
1 38 . 17 1 1 A 3 3 SER CB C 3 68.100 63.166 4.934 1
1 39 . 17 1 1 A 3 3 SER N N 3 124.000 123.373 0.627 1
1 40 . 17 1 1 A 4 4 LEU H H 4 8.540 8.914 -0.374 1
1 41 . 17 1 1 A 4 4 LEU HA H 4 3.770 4.020 -0.250 1
1 51 . 17 1 1 A 4 4 LEU C C 4 177.200 177.790 -0.590 1
1 52 . 17 1 1 A 4 4 LEU CA C 4 57.300 58.349 -1.049 1
1 53 . 17 1 1 A 4 4 LEU CB C 4 41.600 41.171 0.429 1
1 57 . 17 1 1 A 4 4 LEU N N 4 120.800 128.007 -7.207 1
1 58 . 17 1 1 A 5 5 ARG H H 5 7.150 7.614 -0.464 1
1 59 . 17 1 1 A 5 5 ARG HA H 5 3.830 3.907 -0.077 1
1 66 . 17 1 1 A 5 5 ARG C C 5 175.900 178.065 -2.165 1
1 67 . 17 1 1 A 5 5 ARG CA C 5 57.300 59.389 -2.089 1
1 68 . 17 1 1 A 5 5 ARG CB C 5 29.400 29.725 -0.325 1
1 71 . 17 1 1 A 5 5 ARG N N 5 115.100 119.486 -4.386 1
1 72 . 17 1 1 A 6 6 ASP H H 6 7.600 7.602 -0.002 1
1 73 . 17 1 1 A 6 6 ASP HA H 6 4.490 4.442 0.048 1
1 76 . 17 1 1 A 6 6 ASP C C 6 175.700 176.558 -0.858 1
1 77 . 17 1 1 A 6 6 ASP CA C 6 54.700 55.411 -0.711 1
1 78 . 17 1 1 A 6 6 ASP CB C 6 42.000 40.737 1.263 1
1 79 . 17 1 1 A 6 6 ASP N N 6 117.000 118.641 -1.641 1
1 80 . 17 1 1 A 7 7 ALA H H 7 6.990 7.337 -0.347 1
1 81 . 17 1 1 A 7 7 ALA HA H 7 4.390 4.527 -0.137 1
1 85 . 17 1 1 A 7 7 ALA C C 7 175.300 176.581 -1.281 1
1 86 . 17 1 1 A 7 7 ALA CA C 7 51.600 52.149 -0.549 1
1 87 . 17 1 1 A 7 7 ALA CB C 7 19.500 20.045 -0.545 1
1 88 . 17 1 1 A 7 7 ALA N N 7 122.200 121.203 0.997 1
1 89 . 17 1 1 A 8 8 LYS H H 8 8.270 8.503 -0.233 1
1 90 . 17 1 1 A 8 8 LYS HA H 8 4.480 4.935 -0.455 1
1 99 . 17 1 1 A 8 8 LYS C C 8 175.600 175.939 -0.339 1
1 100 . 17 1 1 A 8 8 LYS CA C 8 53.800 54.499 -0.699 1
1 101 . 17 1 1 A 8 8 LYS CB C 8 34.600 36.490 -1.890 1
1 105 . 17 1 1 A 8 8 LYS N N 8 118.500 116.078 2.422 1
1 106 . 17 1 1 A 9 9 CYS H H 9 8.400 8.629 -0.229 1
1 107 . 17 1 1 A 9 9 CYS HA H 9 3.630 4.301 -0.671 1
1 110 . 17 1 1 A 9 9 CYS C C 9 175.700 175.282 0.418 1
1 111 . 17 1 1 A 9 9 CYS CA C 9 60.300 59.741 0.559 1
1 112 . 17 1 1 A 9 9 CYS CB C 9 26.700 27.562 -0.862 1
1 113 . 17 1 1 A 9 9 CYS N N 9 117.100 119.952 -2.852 1
1 114 . 17 1 1 A 10 10 GLY H H 10 8.950 8.811 0.139 1
1 115 . 17 1 1 A 10 10 GLY HA2 H 10 3.790 3.857 -0.067 1
1 116 . 17 1 1 A 10 10 GLY HA3 H 10 4.350 3.942 0.408 1
1 117 . 17 1 1 A 10 10 GLY C C 10 174.600 173.751 0.849 1
1 118 . 17 1 1 A 10 10 GLY CA C 10 44.600 45.264 -0.664 1
1 119 . 17 1 1 A 10 10 GLY N N 10 114.200 112.330 1.870 1
1 120 . 17 1 1 A 11 11 GLN H H 11 7.750 7.640 0.110 1
1 121 . 17 1 1 A 11 11 GLN HA H 11 4.500 4.636 -0.136 1
1 128 . 17 1 1 A 11 11 GLN C C 11 174.200 174.944 -0.744 1
1 129 . 17 1 1 A 11 11 GLN CA C 11 56.000 54.511 1.489 1
1 130 . 17 1 1 A 11 11 GLN CB C 11 29.400 30.477 -1.077 1
1 132 . 17 1 1 A 11 11 GLN N N 11 118.900 119.654 -0.754 1
1 134 . 17 1 1 A 12 12 THR H H 12 8.380 8.736 -0.356 1
1 135 . 17 1 1 A 12 12 THR HA H 12 5.330 4.968 0.362 1
1 140 . 17 1 1 A 12 12 THR C C 12 174.100 174.432 -0.332 1
1 141 . 17 1 1 A 12 12 THR CA C 12 62.100 62.225 -0.125 1
1 142 . 17 1 1 A 12 12 THR CB C 12 69.600 69.558 0.042 1
1 144 . 17 1 1 A 12 12 THR N N 12 116.600 117.779 -1.179 1
1 145 . 17 1 1 A 13 13 VAL H H 13 9.190 9.122 0.068 1
1 146 . 17 1 1 A 13 13 VAL HA H 13 5.140 5.410 -0.270 1
1 154 . 17 1 1 A 13 13 VAL C C 13 173.200 173.676 -0.476 1
1 155 . 17 1 1 A 13 13 VAL CA C 13 57.300 59.096 -1.796 1
1 156 . 17 1 1 A 13 13 VAL CB C 13 35.100 34.871 0.229 1
1 159 . 17 1 1 A 13 13 VAL N N 13 117.500 122.034 -4.534 1
1 160 . 17 1 1 A 14 14 LYS H H 14 9.000 9.513 -0.513 1
1 161 . 17 1 1 A 14 14 LYS HA H 14 5.350 5.080 0.270 1
1 170 . 17 1 1 A 14 14 LYS C C 14 176.900 175.810 1.090 1
1 171 . 17 1 1 A 14 14 LYS CA C 14 53.800 54.444 -0.644 1
1 172 . 17 1 1 A 14 14 LYS CB C 14 35.500 35.966 -0.466 1
1 176 . 17 1 1 A 14 14 LYS N N 14 120.300 122.227 -1.927 1
1 177 . 17 1 1 A 15 15 VAL H H 15 8.620 9.493 -0.873 1
1 178 . 17 1 1 A 15 15 VAL HA H 15 3.880 4.088 -0.208 1
1 186 . 17 1 1 A 15 15 VAL C C 15 176.700 176.909 -0.209 1
1 187 . 17 1 1 A 15 15 VAL CA C 15 64.300 63.597 0.703 1
1 188 . 17 1 1 A 15 15 VAL CB C 15 31.500 31.459 0.041 1
1 191 . 17 1 1 A 15 15 VAL N N 15 123.100 127.173 -4.073 1
1 192 . 17 1 1 A 16 16 VAL H H 16 9.580 8.929 0.651 1
1 193 . 17 1 1 A 16 16 VAL HA H 16 4.100 4.469 -0.369 1
1 201 . 17 1 1 A 16 16 VAL C C 16 175.300 175.531 -0.231 1
1 202 . 17 1 1 A 16 16 VAL CA C 16 63.400 62.202 1.198 1
1 203 . 17 1 1 A 16 16 VAL CB C 16 33.700 33.536 0.164 1
1 206 . 17 1 1 A 16 16 VAL N N 16 130.100 121.574 8.526 1
1 207 . 17 1 1 A 17 17 LYS H H 17 7.490 7.974 -0.484 1
1 208 . 17 1 1 A 17 17 LYS HA H 17 4.380 4.865 -0.485 1
1 217 . 17 1 1 A 17 17 LYS C C 17 172.900 174.290 -1.390 1
1 218 . 17 1 1 A 17 17 LYS CA C 17 56.200 55.278 0.922 1
1 219 . 17 1 1 A 17 17 LYS CB C 17 35.500 35.900 -0.400 1
1 223 . 17 1 1 A 17 17 LYS N N 17 116.800 121.430 -4.630 1
1 224 . 17 1 1 A 18 18 LEU H H 18 8.520 8.999 -0.479 1
1 225 . 17 1 1 A 18 18 LEU HA H 18 4.890 4.904 -0.014 1
1 235 . 17 1 1 A 18 18 LEU C C 18 175.600 176.277 -0.677 1
1 236 . 17 1 1 A 18 18 LEU CA C 18 53.800 53.803 -0.003 1
1 237 . 17 1 1 A 18 18 LEU CB C 18 42.500 42.500 0.000 1
1 241 . 17 1 1 A 18 18 LEU N N 18 124.100 128.483 -4.383 1
1 242 . 17 1 1 A 19 19 HIS H H 19 8.790 9.101 -0.311 1
1 243 . 17 1 1 A 19 19 HIS HA H 19 4.620 4.630 -0.010 1
1 248 . 17 1 1 A 19 19 HIS C C 19 173.000 175.603 -2.603 1
1 249 . 17 1 1 A 19 19 HIS CA C 19 55.500 56.210 -0.710 1
1 250 . 17 1 1 A 19 19 HIS CB C 19 32.800 30.881 1.919 1
1 253 . 17 1 1 A 19 19 HIS N N 19 122.700 123.969 -1.269 1
1 254 . 17 1 1 A 20 20 GLY H H 20 8.100 8.508 -0.408 1
1 255 . 17 1 1 A 20 20 GLY HA2 H 20 3.920 4.061 -0.141 1
1 256 . 17 1 1 A 20 20 GLY HA3 H 20 4.510 4.062 0.448 1
1 257 . 17 1 1 A 20 20 GLY C C 20 174.500 172.649 1.851 1
1 258 . 17 1 1 A 20 20 GLY CA C 20 44.200 44.294 -0.094 1
1 259 . 17 1 1 A 20 20 GLY N N 20 103.400 108.961 -5.561 1
1 260 . 17 1 1 A 21 21 THR H H 21 7.750 8.221 -0.471 1
1 261 . 17 1 1 A 21 21 THR HA H 21 4.450 4.684 -0.234 1
1 266 . 17 1 1 A 21 21 THR C C 21 175.400 174.880 0.520 1
1 267 . 17 1 1 A 21 21 THR CA C 21 60.800 60.860 -0.060 1
1 268 . 17 1 1 A 21 21 THR CB C 21 70.900 71.283 -0.383 1
1 270 . 17 1 1 A 21 21 THR N N 21 108.600 113.928 -5.328 1
1 271 . 17 1 1 A 22 22 GLY H H 22 8.780 8.910 -0.130 1
1 272 . 17 1 1 A 22 22 GLY HA2 H 22 3.750 3.883 -0.133 1
1 273 . 17 1 1 A 22 22 GLY HA3 H 22 4.030 3.883 0.147 1
1 274 . 17 1 1 A 22 22 GLY C C 22 176.200 175.529 0.671 1
1 275 . 17 1 1 A 22 22 GLY CA C 22 47.300 47.329 -0.029 1
1 276 . 17 1 1 A 22 22 GLY N N 22 108.600 116.290 -7.690 1
1 277 . 17 1 1 A 23 23 ALA H H 23 8.480 8.425 0.055 1
1 278 . 17 1 1 A 23 23 ALA HA H 23 4.080 3.990 0.090 1
1 282 . 17 1 1 A 23 23 ALA C C 23 180.100 179.424 0.676 1
1 283 . 17 1 1 A 23 23 ALA CA C 23 54.700 55.051 -0.351 1
1 284 . 17 1 1 A 23 23 ALA CB C 23 18.400 18.279 0.121 1
1 285 . 17 1 1 A 23 23 ALA N N 23 123.300 127.854 -4.554 1
1 286 . 17 1 1 A 24 24 LEU H H 24 7.830 8.234 -0.404 1
1 287 . 17 1 1 A 24 24 LEU HA H 24 4.120 3.884 0.236 1
1 297 . 17 1 1 A 24 24 LEU C C 24 178.600 179.287 -0.687 1
1 298 . 17 1 1 A 24 24 LEU CA C 24 57.800 58.199 -0.399 1
1 299 . 17 1 1 A 24 24 LEU CB C 24 41.100 41.994 -0.894 1
1 303 . 17 1 1 A 24 24 LEU N N 24 120.400 118.225 2.175 1
1 304 . 17 1 1 A 25 25 LYS H H 25 7.960 8.151 -0.191 1
1 305 . 17 1 1 A 25 25 LYS HA H 25 3.750 3.882 -0.132 1
1 314 . 17 1 1 A 25 25 LYS C C 25 178.300 178.911 -0.611 1
1 315 . 17 1 1 A 25 25 LYS CA C 25 60.400 60.392 0.008 1
1 316 . 17 1 1 A 25 25 LYS CB C 25 32.000 32.378 -0.378 1
1 320 . 17 1 1 A 25 25 LYS N N 25 118.000 117.096 0.904 1
1 321 . 17 1 1 A 26 26 ARG H H 26 7.890 8.771 -0.881 1
1 322 . 17 1 1 A 26 26 ARG HA H 26 3.970 3.856 0.114 1
1 329 . 17 1 1 A 26 26 ARG C C 26 177.700 178.561 -0.861 1
1 330 . 17 1 1 A 26 26 ARG CA C 26 58.700 59.262 -0.562 1
1 331 . 17 1 1 A 26 26 ARG CB C 26 30.000 30.022 -0.022 1
1 334 . 17 1 1 A 26 26 ARG N N 26 117.100 119.711 -2.611 1
1 335 . 17 1 1 A 27 27 ARG H H 27 7.660 7.991 -0.331 1
1 336 . 17 1 1 A 27 27 ARG HA H 27 4.100 4.051 0.049 1
1 343 . 17 1 1 A 27 27 ARG C C 27 179.000 178.996 0.004 1
1 344 . 17 1 1 A 27 27 ARG CA C 27 59.100 58.915 0.185 1
1 345 . 17 1 1 A 27 27 ARG CB C 27 29.800 29.659 0.141 1
1 348 . 17 1 1 A 27 27 ARG N N 27 118.600 119.503 -0.903 1
1 349 . 17 1 1 A 28 28 ILE H H 28 7.970 7.835 0.135 1
1 350 . 17 1 1 A 28 28 ILE HA H 28 3.740 3.724 0.016 1
1 360 . 17 1 1 A 28 28 ILE C C 28 178.700 178.372 0.328 1
1 361 . 17 1 1 A 28 28 ILE CA C 28 64.800 65.013 -0.213 1
1 362 . 17 1 1 A 28 28 ILE CB C 28 38.100 37.648 0.452 1
1 366 . 17 1 1 A 28 28 ILE N N 28 119.400 119.616 -0.216 1
1 367 . 17 1 1 A 29 29 MET H H 29 8.420 8.621 -0.201 1
1 368 . 17 1 1 A 29 29 MET HA H 29 4.370 4.790 -0.420 1
1 376 . 17 1 1 A 29 29 MET C C 29 181.400 178.023 3.377 1
1 377 . 17 1 1 A 29 29 MET CA C 29 59.100 58.356 0.744 1
1 378 . 17 1 1 A 29 29 MET CB C 29 32.800 32.003 0.797 1
1 381 . 17 1 1 A 29 29 MET N N 29 119.900 118.295 1.605 1
1 382 . 17 1 1 A 30 30 ASP H H 30 8.650 8.469 0.181 1
1 383 . 17 1 1 A 30 30 ASP HA H 30 4.440 4.427 0.013 1
1 386 . 17 1 1 A 30 30 ASP C C 30 178.200 177.753 0.447 1
1 387 . 17 1 1 A 30 30 ASP CA C 30 56.700 57.157 -0.457 1
1 388 . 17 1 1 A 30 30 ASP CB C 30 39.900 41.429 -1.529 1
1 389 . 17 1 1 A 30 30 ASP N N 30 121.800 120.530 1.270 1
1 390 . 17 1 1 A 31 31 MET H H 31 7.570 7.612 -0.042 1
1 391 . 17 1 1 A 31 31 MET HA H 31 4.290 4.465 -0.175 1
1 399 . 17 1 1 A 31 31 MET C C 31 175.700 176.409 -0.709 1
1 400 . 17 1 1 A 31 31 MET CA C 31 56.800 55.996 0.804 1
1 401 . 17 1 1 A 31 31 MET CB C 31 33.300 33.575 -0.275 1
1 404 . 17 1 1 A 31 31 MET N N 31 117.500 116.041 1.459 1
1 405 . 17 1 1 A 32 32 GLY H H 32 7.990 8.152 -0.162 1
1 406 . 17 1 1 A 32 32 GLY HA2 H 32 4.270 4.023 0.247 1
1 407 . 17 1 1 A 32 32 GLY HA3 H 32 3.630 4.039 -0.409 1
1 408 . 17 1 1 A 32 32 GLY C C 32 173.600 174.272 -0.672 1
1 409 . 17 1 1 A 32 32 GLY CA C 32 44.200 44.851 -0.651 1
1 410 . 17 1 1 A 32 32 GLY N N 32 104.400 106.005 -1.605 1
1 411 . 17 1 1 A 33 33 ILE H H 33 7.140 7.549 -0.409 1
1 412 . 17 1 1 A 33 33 ILE HA H 33 4.120 4.158 -0.038 1
1 422 . 17 1 1 A 33 33 ILE C C 33 172.400 174.673 -2.273 1
1 423 . 17 1 1 A 33 33 ILE CA C 33 61.700 60.807 0.893 1
1 424 . 17 1 1 A 33 33 ILE CB C 33 37.200 37.501 -0.301 1
1 428 . 17 1 1 A 33 33 ILE N N 33 120.800 122.999 -2.199 1
1 429 . 17 1 1 A 34 34 THR H H 34 6.930 8.832 -1.902 1
1 430 . 17 1 1 A 34 34 THR HA H 34 4.590 5.054 -0.464 1
1 435 . 17 1 1 A 34 34 THR C C 34 174.400 172.928 1.472 1
1 436 . 17 1 1 A 34 34 THR CA C 34 58.300 59.226 -0.926 1
1 437 . 17 1 1 A 34 34 THR CB C 34 72.200 71.853 0.347 1
1 439 . 17 1 1 A 34 34 THR N N 34 113.300 120.396 -7.096 1
1 440 . 17 1 1 A 35 35 ARG H H 35 8.760 8.556 0.204 1
1 441 . 17 1 1 A 35 35 ARG HA H 35 3.520 4.413 -0.893 1
1 448 . 17 1 1 A 35 35 ARG C C 35 176.800 176.729 0.071 1
1 449 . 17 1 1 A 35 35 ARG CA C 35 58.700 56.502 2.198 1
1 450 . 17 1 1 A 35 35 ARG CB C 35 29.700 30.057 -0.357 1
1 453 . 17 1 1 A 35 35 ARG N N 35 121.300 123.714 -2.414 1
1 454 . 17 1 1 A 36 36 GLY H H 36 8.950 9.242 -0.292 1
1 455 . 17 1 1 A 36 36 GLY HA2 H 36 4.460 4.027 0.433 1
1 456 . 17 1 1 A 36 36 GLY HA3 H 36 3.560 4.030 -0.470 1
1 457 . 17 1 1 A 36 36 GLY C C 36 173.900 174.809 -0.909 1
1 458 . 17 1 1 A 36 36 GLY CA C 36 44.700 45.034 -0.334 1
1 459 . 17 1 1 A 36 36 GLY N N 36 114.200 110.724 3.476 1
1 460 . 17 1 1 A 37 37 CYS H H 37 7.950 7.882 0.068 1
1 461 . 17 1 1 A 37 37 CYS HA H 37 4.550 4.687 -0.137 1
1 464 . 17 1 1 A 37 37 CYS C C 37 172.900 175.521 -2.621 1
1 465 . 17 1 1 A 37 37 CYS CA C 37 59.200 59.440 -0.240 1
1 466 . 17 1 1 A 37 37 CYS CB C 37 28.000 28.953 -0.953 1
1 467 . 17 1 1 A 37 37 CYS N N 37 118.400 119.931 -1.531 1
1 468 . 17 1 1 A 38 38 GLU H H 38 8.540 8.784 -0.244 1
1 469 . 17 1 1 A 38 38 GLU HA H 38 5.160 5.238 -0.078 1
1 474 . 17 1 1 A 38 38 GLU C C 38 176.000 175.507 0.493 1
1 475 . 17 1 1 A 38 38 GLU CA C 38 55.300 55.328 -0.028 1
1 476 . 17 1 1 A 38 38 GLU CB C 38 31.500 32.067 -0.567 1
1 478 . 17 1 1 A 38 38 GLU N N 38 123.100 120.978 2.122 1
1 479 . 17 1 1 A 39 39 ILE H H 39 9.360 9.582 -0.222 1
1 480 . 17 1 1 A 39 39 ILE HA H 39 4.600 4.824 -0.224 1
1 490 . 17 1 1 A 39 39 ILE C C 39 173.700 173.991 -0.291 1
1 491 . 17 1 1 A 39 39 ILE CA C 39 60.500 60.312 0.188 1
1 492 . 17 1 1 A 39 39 ILE CB C 39 41.300 41.316 -0.016 1
1 496 . 17 1 1 A 39 39 ILE N N 39 124.000 122.057 1.943 1
1 497 . 17 1 1 A 40 40 TYR H H 40 8.540 8.917 -0.377 1
1 498 . 17 1 1 A 40 40 TYR HA H 40 5.340 4.773 0.567 1
1 505 . 17 1 1 A 40 40 TYR C C 40 175.000 174.500 0.500 1
1 506 . 17 1 1 A 40 40 TYR CA C 40 55.900 56.711 -0.811 1
1 507 . 17 1 1 A 40 40 TYR CB C 40 40.900 39.537 1.363 1
1 510 . 17 1 1 A 40 40 TYR N N 40 127.000 128.746 -1.746 1
1 511 . 17 1 1 A 41 41 ILE H H 41 7.850 8.534 -0.684 1
1 512 . 17 1 1 A 41 41 ILE HA H 41 3.910 3.979 -0.069 1
1 522 . 17 1 1 A 41 41 ILE C C 41 173.600 175.262 -1.662 1
1 523 . 17 1 1 A 41 41 ILE CA C 41 61.500 60.963 0.537 1
1 524 . 17 1 1 A 41 41 ILE CB C 41 35.800 37.155 -1.355 1
1 528 . 17 1 1 A 41 41 ILE N N 41 127.800 128.145 -0.345 1
1 529 . 17 1 1 A 42 42 ARG H H 42 8.460 8.868 -0.408 1
1 530 . 17 1 1 A 42 42 ARG HA H 42 4.110 4.359 -0.249 1
1 537 . 17 1 1 A 42 42 ARG C C 42 176.500 176.414 0.086 1
1 538 . 17 1 1 A 42 42 ARG CA C 42 57.700 57.541 0.159 1
1 539 . 17 1 1 A 42 42 ARG CB C 42 31.400 31.186 0.214 1
1 542 . 17 1 1 A 42 42 ARG N N 42 128.100 127.480 0.620 1
1 543 . 17 1 1 A 43 43 LYS H H 43 7.920 7.918 0.002 1
1 544 . 17 1 1 A 43 43 LYS HA H 43 4.530 4.678 -0.148 1
1 553 . 17 1 1 A 43 43 LYS C C 43 173.100 174.906 -1.806 1
1 554 . 17 1 1 A 43 43 LYS CA C 43 56.400 54.926 1.474 1
1 555 . 17 1 1 A 43 43 LYS CB C 43 36.100 35.205 0.895 1
1 559 . 17 1 1 A 43 43 LYS N N 43 116.400 118.154 -1.754 1
1 560 . 17 1 1 A 44 44 VAL H H 44 8.450 9.183 -0.733 1
1 561 . 17 1 1 A 44 44 VAL HA H 44 4.260 4.580 -0.320 1
1 569 . 17 1 1 A 44 44 VAL C C 44 175.000 175.375 -0.375 1
1 570 . 17 1 1 A 44 44 VAL CA C 44 61.500 60.811 0.689 1
1 571 . 17 1 1 A 44 44 VAL CB C 44 34.200 34.028 0.172 1
1 574 . 17 1 1 A 44 44 VAL N N 44 123.900 125.257 -1.357 1
1 575 . 17 1 1 A 45 45 ALA H H 45 7.550 8.143 -0.593 1
1 576 . 17 1 1 A 45 45 ALA HA H 45 4.480 4.476 0.004 1
1 580 . 17 1 1 A 45 45 ALA CA C 45 51.500 50.512 0.988 1
1 581 . 17 1 1 A 45 45 ALA CB C 45 17.600 17.919 -0.319 1
1 582 . 17 1 1 A 45 45 ALA N N 45 129.600 130.087 -0.487 1
1 583 . 17 1 1 A 46 46 PRO HA H 46 4.290 4.326 -0.036 1
1 590 . 17 1 1 A 46 46 PRO C C 46 177.800 177.956 -0.156 1
1 591 . 17 1 1 A 46 46 PRO CA C 46 65.500 65.034 0.466 1
1 592 . 17 1 1 A 46 46 PRO CB C 46 31.600 31.910 -0.310 1
1 595 . 17 1 1 A 47 47 LEU H H 47 8.330 7.961 0.369 1
1 596 . 17 1 1 A 47 47 LEU HA H 47 4.330 4.125 0.205 1
1 606 . 17 1 1 A 47 47 LEU C C 47 178.000 176.638 1.362 1
1 607 . 17 1 1 A 47 47 LEU CA C 47 55.300 56.709 -1.409 1
1 608 . 17 1 1 A 47 47 LEU CB C 47 40.300 42.959 -2.659 1
1 612 . 17 1 1 A 47 47 LEU N N 47 115.100 117.300 -2.200 1
1 613 . 17 1 1 A 48 48 GLY H H 48 8.420 7.422 0.998 1
1 614 . 17 1 1 A 48 48 GLY HA2 H 48 4.090 4.045 0.045 1
1 615 . 17 1 1 A 48 48 GLY HA3 H 48 3.490 4.049 -0.559 1
1 616 . 17 1 1 A 48 48 GLY C C 48 171.900 172.877 -0.977 1
1 617 . 17 1 1 A 48 48 GLY CA C 48 45.500 45.923 -0.423 1
1 618 . 17 1 1 A 48 48 GLY N N 48 107.400 106.731 0.669 1
1 619 . 17 1 1 A 49 49 ASP H H 49 6.850 8.049 -1.199 1
1 620 . 17 1 1 A 49 49 ASP HA H 49 5.050 4.789 0.261 1
1 623 . 17 1 1 A 49 49 ASP CA C 49 50.200 52.454 -2.254 1
1 624 . 17 1 1 A 49 49 ASP CB C 49 45.300 41.142 4.158 1
1 625 . 17 1 1 A 49 49 ASP N N 49 116.000 121.520 -5.520 1
1 626 . 17 1 1 A 50 50 PRO HA H 50 5.450 4.683 0.767 1
1 633 . 17 1 1 A 50 50 PRO C C 50 174.900 175.632 -0.732 1
1 634 . 17 1 1 A 50 50 PRO CA C 50 63.900 62.254 1.646 1
1 635 . 17 1 1 A 50 50 PRO CB C 50 35.600 32.756 2.844 1
1 638 . 17 1 1 A 51 51 ILE H H 51 8.980 8.885 0.095 1
1 639 . 17 1 1 A 51 51 ILE HA H 51 4.400 4.763 -0.363 1
1 649 . 17 1 1 A 51 51 ILE C C 51 174.500 175.367 -0.867 1
1 650 . 17 1 1 A 51 51 ILE CA C 51 61.100 60.472 0.628 1
1 651 . 17 1 1 A 51 51 ILE CB C 51 40.900 38.832 2.068 1
1 655 . 17 1 1 A 51 51 ILE N N 51 118.100 120.565 -2.465 1
1 656 . 17 1 1 A 52 52 GLN H H 52 9.060 9.271 -0.211 1
1 657 . 17 1 1 A 52 52 GLN HA H 52 5.160 5.083 0.077 1
1 664 . 17 1 1 A 52 52 GLN C C 52 175.800 175.643 0.157 1
1 665 . 17 1 1 A 52 52 GLN CA C 52 54.900 55.541 -0.641 1
1 666 . 17 1 1 A 52 52 GLN CB C 52 29.600 29.660 -0.060 1
1 668 . 17 1 1 A 52 52 GLN N N 52 126.100 126.669 -0.569 1
1 670 . 17 1 1 A 53 53 ILE H H 53 9.080 9.401 -0.321 1
1 671 . 17 1 1 A 53 53 ILE HA H 53 5.440 4.924 0.516 1
1 681 . 17 1 1 A 53 53 ILE C C 53 174.000 173.691 0.309 1
1 682 . 17 1 1 A 53 53 ILE CA C 53 58.700 58.878 -0.178 1
1 683 . 17 1 1 A 53 53 ILE CB C 53 41.500 42.428 -0.928 1
1 687 . 17 1 1 A 53 53 ILE N N 53 117.600 119.399 -1.799 1
1 688 . 17 1 1 A 54 54 ASN H H 54 9.360 9.597 -0.237 1
1 689 . 17 1 1 A 54 54 ASN HA H 54 5.840 5.496 0.344 1
1 694 . 17 1 1 A 54 54 ASN C C 54 174.800 174.051 0.749 1
1 695 . 17 1 1 A 54 54 ASN CA C 54 52.300 51.989 0.311 1
1 696 . 17 1 1 A 54 54 ASN CB C 54 42.200 40.222 1.978 1
1 697 . 17 1 1 A 54 54 ASN N N 54 120.100 121.989 -1.889 1
1 699 . 17 1 1 A 55 55 VAL H H 55 8.900 9.066 -0.166 1
1 700 . 17 1 1 A 55 55 VAL HA H 55 4.480 4.563 -0.083 1
1 708 . 17 1 1 A 55 55 VAL C C 55 174.400 175.989 -1.589 1
1 709 . 17 1 1 A 55 55 VAL CA C 55 60.800 61.183 -0.383 1
1 710 . 17 1 1 A 55 55 VAL CB C 55 34.300 33.742 0.558 1
1 713 . 17 1 1 A 55 55 VAL N N 55 124.400 127.104 -2.704 1
1 714 . 17 1 1 A 56 56 ARG H H 56 9.680 9.553 0.127 1
1 715 . 17 1 1 A 56 56 ARG HA H 56 3.880 4.022 -0.142 1
1 722 . 17 1 1 A 56 56 ARG C C 56 175.000 176.149 -1.149 1
1 723 . 17 1 1 A 56 56 ARG CA C 56 57.200 57.444 -0.244 1
1 724 . 17 1 1 A 56 56 ARG CB C 56 28.400 28.384 0.016 1
1 727 . 17 1 1 A 56 56 ARG N N 56 125.100 128.393 -3.293 1
1 728 . 17 1 1 A 57 57 GLY H H 57 8.130 8.460 -0.330 1
1 729 . 17 1 1 A 57 57 GLY HA2 H 57 4.130 3.900 0.230 1
1 730 . 17 1 1 A 57 57 GLY HA3 H 57 3.610 3.991 -0.381 1
1 731 . 17 1 1 A 57 57 GLY C C 57 174.300 174.090 0.210 1
1 732 . 17 1 1 A 57 57 GLY CA C 57 45.300 45.086 0.214 1
1 733 . 17 1 1 A 57 57 GLY N N 57 103.500 105.815 -2.315 1
1 734 . 17 1 1 A 58 58 TYR H H 58 8.180 7.834 0.346 1
1 735 . 17 1 1 A 58 58 TYR HA H 58 4.750 4.509 0.241 1
1 742 . 17 1 1 A 58 58 TYR C C 58 174.500 175.002 -0.502 1
1 743 . 17 1 1 A 58 58 TYR CA C 58 56.600 58.285 -1.685 1
1 744 . 17 1 1 A 58 58 TYR CB C 58 39.500 39.022 0.478 1
1 747 . 17 1 1 A 58 58 TYR N N 58 121.300 120.157 1.143 1
1 748 . 17 1 1 A 59 59 GLU H H 59 8.480 9.039 -0.559 1
1 749 . 17 1 1 A 59 59 GLU HA H 59 5.120 4.952 0.168 1
1 754 . 17 1 1 A 59 59 GLU C C 59 178.400 175.428 2.972 1
1 755 . 17 1 1 A 59 59 GLU CA C 59 55.200 56.068 -0.868 1
1 756 . 17 1 1 A 59 59 GLU CB C 59 30.400 31.247 -0.847 1
1 758 . 17 1 1 A 59 59 GLU N N 59 122.400 125.402 -3.002 1
1 759 . 17 1 1 A 60 60 LEU H H 60 8.900 9.878 -0.978 1
1 760 . 17 1 1 A 60 60 LEU HA H 60 4.830 5.090 -0.260 1
1 770 . 17 1 1 A 60 60 LEU C C 60 175.100 175.745 -0.645 1
1 771 . 17 1 1 A 60 60 LEU CA C 60 53.800 53.401 0.399 1
1 772 . 17 1 1 A 60 60 LEU CB C 60 46.200 45.864 0.336 1
1 776 . 17 1 1 A 60 60 LEU N N 60 124.600 128.024 -3.424 1
1 777 . 17 1 1 A 61 61 SER H H 61 8.390 8.940 -0.550 1
1 778 . 17 1 1 A 61 61 SER HA H 61 5.150 5.111 0.039 1
1 781 . 17 1 1 A 61 61 SER C C 61 173.300 173.130 0.170 1
1 782 . 17 1 1 A 61 61 SER CA C 61 56.600 56.683 -0.083 1
1 783 . 17 1 1 A 61 61 SER CB C 61 63.900 64.578 -0.678 1
1 784 . 17 1 1 A 61 61 SER N N 61 116.100 117.914 -1.814 1
1 785 . 17 1 1 A 62 62 LEU H H 62 9.190 9.286 -0.096 1
1 786 . 17 1 1 A 62 62 LEU HA H 62 4.700 4.987 -0.287 1
1 796 . 17 1 1 A 62 62 LEU C C 62 175.800 176.060 -0.260 1
1 797 . 17 1 1 A 62 62 LEU CA C 62 53.000 53.198 -0.198 1
1 798 . 17 1 1 A 62 62 LEU CB C 62 45.900 44.365 1.535 1
1 802 . 17 1 1 A 62 62 LEU N N 62 126.800 128.838 -2.038 1
1 803 . 17 1 1 A 63 63 ARG H H 63 8.670 8.734 -0.064 1
1 804 . 17 1 1 A 63 63 ARG HA H 63 4.640 4.535 0.105 1
1 811 . 17 1 1 A 63 63 ARG C C 63 176.000 177.624 -1.624 1
1 812 . 17 1 1 A 63 63 ARG CA C 63 53.700 55.207 -1.507 1
1 813 . 17 1 1 A 63 63 ARG CB C 63 29.100 31.978 -2.878 1
1 816 . 17 1 1 A 63 63 ARG N N 63 120.600 121.429 -0.829 1
1 817 . 17 1 1 A 64 64 LYS H H 64 8.900 9.009 -0.109 1
1 818 . 17 1 1 A 64 64 LYS HA H 64 3.800 3.876 -0.076 1
1 827 . 17 1 1 A 64 64 LYS C C 64 177.100 178.166 -1.066 1
1 828 . 17 1 1 A 64 64 LYS CA C 64 60.200 59.908 0.292 1
1 829 . 17 1 1 A 64 64 LYS CB C 64 32.300 31.899 0.401 1
1 833 . 17 1 1 A 64 64 LYS N N 64 124.600 124.907 -0.307 1
1 834 . 17 1 1 A 65 65 SER H H 65 8.380 8.085 0.295 1
1 835 . 17 1 1 A 65 65 SER HA H 65 4.130 4.082 0.048 1
1 838 . 17 1 1 A 65 65 SER C C 65 176.000 176.678 -0.678 1
1 839 . 17 1 1 A 65 65 SER CA C 65 60.300 62.028 -1.728 1
1 840 . 17 1 1 A 65 65 SER CB C 65 61.900 62.786 -0.886 1
1 841 . 17 1 1 A 65 65 SER N N 65 110.900 117.083 -6.183 1
1 842 . 17 1 1 A 66 66 ALA H H 66 6.910 7.898 -0.988 1
1 843 . 17 1 1 A 66 66 ALA HA H 66 4.290 4.151 0.139 1
1 847 . 17 1 1 A 66 66 ALA C C 66 178.800 179.368 -0.568 1
1 848 . 17 1 1 A 66 66 ALA CA C 66 54.000 54.898 -0.898 1
1 849 . 17 1 1 A 66 66 ALA CB C 66 18.800 18.377 0.423 1
1 850 . 17 1 1 A 66 66 ALA N N 66 122.600 123.758 -1.158 1
1 851 . 17 1 1 A 67 67 ALA H H 67 8.050 8.058 -0.008 1
1 852 . 17 1 1 A 67 67 ALA HA H 67 3.850 3.968 -0.118 1
1 856 . 17 1 1 A 67 67 ALA C C 67 178.800 180.192 -1.392 1
1 857 . 17 1 1 A 67 67 ALA CA C 67 54.900 55.171 -0.271 1
1 858 . 17 1 1 A 67 67 ALA CB C 67 18.700 18.052 0.648 1
1 859 . 17 1 1 A 67 67 ALA N N 67 118.800 119.829 -1.029 1
1 860 . 17 1 1 A 68 68 GLU H H 68 7.910 7.992 -0.082 1
1 861 . 17 1 1 A 68 68 GLU HA H 68 4.150 4.035 0.115 1
1 866 . 17 1 1 A 68 68 GLU C C 68 175.900 177.709 -1.809 1
1 867 . 17 1 1 A 68 68 GLU CA C 68 57.200 58.479 -1.279 1
1 868 . 17 1 1 A 68 68 GLU CB C 68 29.800 29.591 0.209 1
1 870 . 17 1 1 A 68 68 GLU N N 68 113.100 118.628 -5.528 1
1 871 . 17 1 1 A 69 69 MET H H 69 7.360 7.835 -0.475 1
1 872 . 17 1 1 A 69 69 MET HA H 69 4.590 4.323 0.267 1
1 880 . 17 1 1 A 69 69 MET C C 69 174.400 175.293 -0.893 1
1 881 . 17 1 1 A 69 69 MET CA C 69 53.800 55.656 -1.856 1
1 882 . 17 1 1 A 69 69 MET CB C 69 32.400 32.443 -0.043 1
1 885 . 17 1 1 A 69 69 MET N N 69 114.100 114.748 -0.648 1
1 886 . 17 1 1 A 70 70 ILE H H 70 7.310 7.573 -0.263 1
1 887 . 17 1 1 A 70 70 ILE HA H 70 4.260 4.425 -0.165 1
1 897 . 17 1 1 A 70 70 ILE C C 70 174.100 174.555 -0.455 1
1 898 . 17 1 1 A 70 70 ILE CA C 70 60.900 60.257 0.643 1
1 899 . 17 1 1 A 70 70 ILE CB C 70 38.700 38.777 -0.077 1
1 903 . 17 1 1 A 70 70 ILE N N 70 120.300 121.221 -0.921 1
1 904 . 17 1 1 A 71 71 GLU H H 71 8.910 8.982 -0.072 1
1 905 . 17 1 1 A 71 71 GLU HA H 71 4.750 5.415 -0.665 1
1 910 . 17 1 1 A 71 71 GLU C C 71 177.100 175.949 1.151 1
1 911 . 17 1 1 A 71 71 GLU CA C 71 55.900 55.442 0.458 1
1 912 . 17 1 1 A 71 71 GLU CB C 71 30.600 31.427 -0.827 1
1 914 . 17 1 1 A 71 71 GLU N N 71 129.500 128.242 1.258 1
1 915 . 17 1 1 A 72 72 VAL H H 72 8.880 9.481 -0.601 1
1 916 . 17 1 1 A 72 72 VAL HA H 72 5.520 5.178 0.342 1
1 924 . 17 1 1 A 72 72 VAL C C 72 173.200 173.638 -0.438 1
1 925 . 17 1 1 A 72 72 VAL CA C 72 58.500 58.779 -0.279 1
1 926 . 17 1 1 A 72 72 VAL CB C 72 36.200 35.613 0.587 1
1 929 . 17 1 1 A 72 72 VAL N N 72 119.400 120.751 -1.351 1
1 930 . 17 1 1 A 73 73 GLU H H 73 8.720 9.964 -1.244 1
1 931 . 17 1 1 A 73 73 GLU HA H 73 4.750 4.926 -0.176 1
1 936 . 17 1 1 A 73 73 GLU C C 73 175.300 174.711 0.589 1
1 937 . 17 1 1 A 73 73 GLU CA C 73 54.000 55.057 -1.057 1
1 938 . 17 1 1 A 73 73 GLU CB C 73 33.300 32.752 0.548 1
1 940 . 17 1 1 A 73 73 GLU N N 73 116.600 122.552 -5.952 1
1 941 . 17 1 1 A 74 74 LEU H H 74 8.780 8.632 0.148 1
1 942 . 17 1 1 A 74 74 LEU HA H 74 4.330 4.819 -0.489 1
1 952 . 17 1 1 A 74 74 LEU C C 74 176.400 176.384 0.016 1
1 953 . 17 1 1 A 74 74 LEU CA C 74 55.400 53.711 1.689 1
1 954 . 17 1 1 A 74 74 LEU CB C 74 42.600 44.257 -1.657 1
1 958 . 17 1 1 A 74 74 LEU N N 74 124.100 128.815 -4.715 1
1 959 . 17 1 1 A 75 75 GLU H H 75 8.450 8.147 0.303 1
1 960 . 17 1 1 A 75 75 GLU HA H 75 4.350 4.325 0.025 1
1 965 . 17 1 1 A 75 75 GLU C C 75 175.700 176.130 -0.430 1
1 966 . 17 1 1 A 75 75 GLU CA C 75 55.800 57.592 -1.792 1
1 967 . 17 1 1 A 75 75 GLU CB C 75 30.500 30.341 0.159 1
1 969 . 17 1 1 A 75 75 GLU N N 75 123.500 126.505 -3.005 1
1 970 . 17 1 1 A 76 76 HIS H H 76 8.500 8.649 -0.149 1
1 971 . 17 1 1 A 76 76 HIS HA H 76 4.590 5.642 -1.052 1
1 976 . 17 1 1 A 76 76 HIS C C 76 173.800 173.634 0.166 1
1 977 . 17 1 1 A 76 76 HIS CA C 76 55.700 53.725 1.975 1
1 978 . 17 1 1 A 76 76 HIS CB C 76 30.200 32.271 -2.071 1
1 981 . 17 1 1 A 76 76 HIS N N 76 120.800 122.075 -1.275 1
1 982 . 17 1 1 A 77 77 HIS H H 77 8.100 8.836 -0.736 1
1 983 . 17 1 1 A 77 77 HIS HA H 77 4.610 4.908 -0.298 1
1 988 . 17 1 1 A 77 77 HIS C C 77 180.000 174.577 5.423 1
1 989 . 17 1 1 A 77 77 HIS CA C 77 56.400 54.415 1.985 1
1 990 . 17 1 1 A 77 77 HIS CB C 77 29.900 33.558 -3.658 1
1 993 . 17 1 1 A 77 77 HIS N N 77 125.100 119.855 5.245 1
1 994 . 17 1 1 A 78 78 HIS H H 78 8.250 8.615 -0.365 1
1 995 . 17 1 1 A 78 78 HIS HA H 78 4.620 4.172 0.448 1
1 1000 . 17 1 1 A 78 78 HIS C C 78 180.000 174.239 5.761 1
1 1001 . 17 1 1 A 78 78 HIS CA C 78 56.400 57.939 -1.539 1
1 1002 . 17 1 1 A 78 78 HIS CB C 78 29.900 27.554 2.346 1
1 1005 . 17 1 1 A 78 78 HIS N N 78 119.400 114.816 4.584 1
1 1006 . 17 1 1 A 79 79 HIS H H 79 8.250 8.051 0.199 1
1 1007 . 17 1 1 A 79 79 HIS HA H 79 4.620 4.536 0.084 1
1 1012 . 17 1 1 A 79 79 HIS C C 79 180.000 175.025 4.975 1
1 1013 . 17 1 1 A 79 79 HIS CA C 79 56.400 53.955 2.445 1
1 1014 . 17 1 1 A 79 79 HIS CB C 79 29.900 28.017 1.883 1
1 1017 . 17 1 1 A 79 79 HIS N N 79 119.400 119.248 0.152 1
1 1018 . 17 1 1 A 80 80 HIS H H 80 8.250 7.572 0.678 1
1 1019 . 17 1 1 A 80 80 HIS HA H 80 4.620 4.333 0.287 1
1 1024 . 17 1 1 A 80 80 HIS C C 80 180.000 175.335 4.665 1
1 1025 . 17 1 1 A 80 80 HIS CA C 80 56.400 58.089 -1.689 1
1 1026 . 17 1 1 A 80 80 HIS CB C 80 29.900 29.294 0.606 1
1 1029 . 17 1 1 A 80 80 HIS N N 80 119.400 122.454 -3.054 1
1 16 . 18 1 1 A 2 2 PHE H H 2 9.360 9.681 -0.321 1
1 17 . 18 1 1 A 2 2 PHE HA H 2 4.960 5.163 -0.203 1
1 25 . 18 1 1 A 2 2 PHE C C 2 173.300 173.989 -0.689 1
1 26 . 18 1 1 A 2 2 PHE CA C 2 56.400 55.893 0.507 1
1 27 . 18 1 1 A 2 2 PHE CB C 2 38.500 41.648 -3.148 1
1 31 . 18 1 1 A 2 2 PHE N N 2 127.300 126.917 0.383 1
1 32 . 18 1 1 A 3 3 SER H H 3 9.150 9.166 -0.016 1
1 33 . 18 1 1 A 3 3 SER HA H 3 5.590 5.378 0.212 1
1 36 . 18 1 1 A 3 3 SER C C 3 176.100 175.244 0.856 1
1 37 . 18 1 1 A 3 3 SER CA C 3 56.500 56.427 0.073 1
1 38 . 18 1 1 A 3 3 SER CB C 3 68.100 66.144 1.956 1
1 39 . 18 1 1 A 3 3 SER N N 3 124.000 119.172 4.828 1
1 40 . 18 1 1 A 4 4 LEU H H 4 8.540 8.679 -0.139 1
1 41 . 18 1 1 A 4 4 LEU HA H 4 3.770 4.142 -0.372 1
1 51 . 18 1 1 A 4 4 LEU C C 4 177.200 178.446 -1.246 1
1 52 . 18 1 1 A 4 4 LEU CA C 4 57.300 57.718 -0.418 1
1 53 . 18 1 1 A 4 4 LEU CB C 4 41.600 41.703 -0.103 1
1 57 . 18 1 1 A 4 4 LEU N N 4 120.800 122.787 -1.987 1
1 58 . 18 1 1 A 5 5 ARG H H 5 7.150 7.536 -0.386 1
1 59 . 18 1 1 A 5 5 ARG HA H 5 3.830 4.121 -0.291 1
1 66 . 18 1 1 A 5 5 ARG C C 5 175.900 177.154 -1.254 1
1 67 . 18 1 1 A 5 5 ARG CA C 5 57.300 58.228 -0.928 1
1 68 . 18 1 1 A 5 5 ARG CB C 5 29.400 29.722 -0.322 1
1 71 . 18 1 1 A 5 5 ARG N N 5 115.100 119.027 -3.927 1
1 72 . 18 1 1 A 6 6 ASP H H 6 7.600 7.959 -0.359 1
1 73 . 18 1 1 A 6 6 ASP HA H 6 4.490 4.427 0.063 1
1 76 . 18 1 1 A 6 6 ASP C C 6 175.700 175.800 -0.100 1
1 77 . 18 1 1 A 6 6 ASP CA C 6 54.700 54.375 0.325 1
1 78 . 18 1 1 A 6 6 ASP CB C 6 42.000 41.034 0.966 1
1 79 . 18 1 1 A 6 6 ASP N N 6 117.000 118.033 -1.033 1
1 80 . 18 1 1 A 7 7 ALA H H 7 6.990 7.306 -0.316 1
1 81 . 18 1 1 A 7 7 ALA HA H 7 4.390 4.478 -0.088 1
1 85 . 18 1 1 A 7 7 ALA C C 7 175.300 176.402 -1.102 1
1 86 . 18 1 1 A 7 7 ALA CA C 7 51.600 52.193 -0.593 1
1 87 . 18 1 1 A 7 7 ALA CB C 7 19.500 20.270 -0.770 1
1 88 . 18 1 1 A 7 7 ALA N N 7 122.200 121.977 0.223 1
1 89 . 18 1 1 A 8 8 LYS H H 8 8.270 8.687 -0.417 1
1 90 . 18 1 1 A 8 8 LYS HA H 8 4.480 4.850 -0.370 1
1 99 . 18 1 1 A 8 8 LYS C C 8 175.600 176.074 -0.474 1
1 100 . 18 1 1 A 8 8 LYS CA C 8 53.800 54.482 -0.682 1
1 101 . 18 1 1 A 8 8 LYS CB C 8 34.600 35.649 -1.049 1
1 105 . 18 1 1 A 8 8 LYS N N 8 118.500 117.036 1.464 1
1 106 . 18 1 1 A 9 9 CYS H H 9 8.400 8.574 -0.174 1
1 107 . 18 1 1 A 9 9 CYS HA H 9 3.630 4.124 -0.494 1
1 110 . 18 1 1 A 9 9 CYS C C 9 175.700 175.284 0.416 1
1 111 . 18 1 1 A 9 9 CYS CA C 9 60.300 60.571 -0.271 1
1 112 . 18 1 1 A 9 9 CYS CB C 9 26.700 27.111 -0.411 1
1 113 . 18 1 1 A 9 9 CYS N N 9 117.100 121.236 -4.136 1
1 114 . 18 1 1 A 10 10 GLY H H 10 8.950 8.961 -0.011 1
1 115 . 18 1 1 A 10 10 GLY HA2 H 10 3.790 3.990 -0.200 1
1 116 . 18 1 1 A 10 10 GLY HA3 H 10 4.350 4.030 0.320 1
1 117 . 18 1 1 A 10 10 GLY C C 10 174.600 173.643 0.957 1
1 118 . 18 1 1 A 10 10 GLY CA C 10 44.600 45.184 -0.584 1
1 119 . 18 1 1 A 10 10 GLY N N 10 114.200 113.147 1.053 1
1 120 . 18 1 1 A 11 11 GLN H H 11 7.750 7.309 0.441 1
1 121 . 18 1 1 A 11 11 GLN HA H 11 4.500 4.878 -0.378 1
1 128 . 18 1 1 A 11 11 GLN C C 11 174.200 174.785 -0.585 1
1 129 . 18 1 1 A 11 11 GLN CA C 11 56.000 53.933 2.067 1
1 130 . 18 1 1 A 11 11 GLN CB C 11 29.400 31.380 -1.980 1
1 132 . 18 1 1 A 11 11 GLN N N 11 118.900 119.484 -0.584 1
1 134 . 18 1 1 A 12 12 THR H H 12 8.380 8.916 -0.536 1
1 135 . 18 1 1 A 12 12 THR HA H 12 5.330 5.191 0.139 1
1 140 . 18 1 1 A 12 12 THR C C 12 174.100 174.408 -0.308 1
1 141 . 18 1 1 A 12 12 THR CA C 12 62.100 61.922 0.178 1
1 142 . 18 1 1 A 12 12 THR CB C 12 69.600 69.980 -0.380 1
1 144 . 18 1 1 A 12 12 THR N N 12 116.600 117.592 -0.992 1
1 145 . 18 1 1 A 13 13 VAL H H 13 9.190 9.659 -0.469 1
1 146 . 18 1 1 A 13 13 VAL HA H 13 5.140 5.349 -0.209 1
1 154 . 18 1 1 A 13 13 VAL C C 13 173.200 174.801 -1.601 1
1 155 . 18 1 1 A 13 13 VAL CA C 13 57.300 59.393 -2.093 1
1 156 . 18 1 1 A 13 13 VAL CB C 13 35.100 35.916 -0.816 1
1 159 . 18 1 1 A 13 13 VAL N N 13 117.500 120.874 -3.374 1
1 160 . 18 1 1 A 14 14 LYS H H 14 9.000 8.812 0.188 1
1 161 . 18 1 1 A 14 14 LYS HA H 14 5.350 5.262 0.088 1
1 170 . 18 1 1 A 14 14 LYS C C 14 176.900 175.760 1.140 1
1 171 . 18 1 1 A 14 14 LYS CA C 14 53.800 54.155 -0.355 1
1 172 . 18 1 1 A 14 14 LYS CB C 14 35.500 36.365 -0.865 1
1 176 . 18 1 1 A 14 14 LYS N N 14 120.300 121.140 -0.840 1
1 177 . 18 1 1 A 15 15 VAL H H 15 8.620 8.789 -0.169 1
1 178 . 18 1 1 A 15 15 VAL HA H 15 3.880 4.066 -0.186 1
1 186 . 18 1 1 A 15 15 VAL C C 15 176.700 176.889 -0.189 1
1 187 . 18 1 1 A 15 15 VAL CA C 15 64.300 63.488 0.812 1
1 188 . 18 1 1 A 15 15 VAL CB C 15 31.500 31.918 -0.418 1
1 191 . 18 1 1 A 15 15 VAL N N 15 123.100 122.885 0.215 1
1 192 . 18 1 1 A 16 16 VAL H H 16 9.580 9.085 0.495 1
1 193 . 18 1 1 A 16 16 VAL HA H 16 4.100 4.468 -0.368 1
1 201 . 18 1 1 A 16 16 VAL C C 16 175.300 175.600 -0.300 1
1 202 . 18 1 1 A 16 16 VAL CA C 16 63.400 62.008 1.392 1
1 203 . 18 1 1 A 16 16 VAL CB C 16 33.700 33.587 0.113 1
1 206 . 18 1 1 A 16 16 VAL N N 16 130.100 120.469 9.631 1
1 207 . 18 1 1 A 17 17 LYS H H 17 7.490 7.566 -0.076 1
1 208 . 18 1 1 A 17 17 LYS HA H 17 4.380 4.919 -0.539 1
1 217 . 18 1 1 A 17 17 LYS C C 17 172.900 174.083 -1.183 1
1 218 . 18 1 1 A 17 17 LYS CA C 17 56.200 55.727 0.473 1
1 219 . 18 1 1 A 17 17 LYS CB C 17 35.500 35.960 -0.460 1
1 223 . 18 1 1 A 17 17 LYS N N 17 116.800 121.758 -4.958 1
1 224 . 18 1 1 A 18 18 LEU H H 18 8.520 9.209 -0.689 1
1 225 . 18 1 1 A 18 18 LEU HA H 18 4.890 5.000 -0.110 1
1 235 . 18 1 1 A 18 18 LEU C C 18 175.600 176.017 -0.417 1
1 236 . 18 1 1 A 18 18 LEU CA C 18 53.800 53.403 0.397 1
1 237 . 18 1 1 A 18 18 LEU CB C 18 42.500 43.146 -0.646 1
1 241 . 18 1 1 A 18 18 LEU N N 18 124.100 126.977 -2.877 1
1 242 . 18 1 1 A 19 19 HIS H H 19 8.790 9.085 -0.295 1
1 243 . 18 1 1 A 19 19 HIS HA H 19 4.620 4.819 -0.199 1
1 248 . 18 1 1 A 19 19 HIS C C 19 173.000 174.979 -1.979 1
1 249 . 18 1 1 A 19 19 HIS CA C 19 55.500 55.051 0.449 1
1 250 . 18 1 1 A 19 19 HIS CB C 19 32.800 31.729 1.071 1
1 253 . 18 1 1 A 19 19 HIS N N 19 122.700 123.163 -0.463 1
1 254 . 18 1 1 A 20 20 GLY H H 20 8.100 8.606 -0.506 1
1 255 . 18 1 1 A 20 20 GLY HA2 H 20 3.920 4.144 -0.224 1
1 256 . 18 1 1 A 20 20 GLY HA3 H 20 4.510 4.150 0.360 1
1 257 . 18 1 1 A 20 20 GLY C C 20 174.500 173.567 0.933 1
1 258 . 18 1 1 A 20 20 GLY CA C 20 44.200 44.959 -0.759 1
1 259 . 18 1 1 A 20 20 GLY N N 20 103.400 109.457 -6.057 1
1 260 . 18 1 1 A 21 21 THR H H 21 7.750 8.744 -0.994 1
1 261 . 18 1 1 A 21 21 THR HA H 21 4.450 4.454 -0.004 1
1 266 . 18 1 1 A 21 21 THR C C 21 175.400 174.533 0.867 1
1 267 . 18 1 1 A 21 21 THR CA C 21 60.800 61.815 -1.015 1
1 268 . 18 1 1 A 21 21 THR CB C 21 70.900 68.603 2.297 1
1 270 . 18 1 1 A 21 21 THR N N 21 108.600 114.751 -6.151 1
1 271 . 18 1 1 A 22 22 GLY H H 22 8.780 7.931 0.849 1
1 272 . 18 1 1 A 22 22 GLY HA2 H 22 3.750 3.974 -0.224 1
1 273 . 18 1 1 A 22 22 GLY HA3 H 22 4.030 3.975 0.055 1
1 274 . 18 1 1 A 22 22 GLY C C 22 176.200 175.545 0.655 1
1 275 . 18 1 1 A 22 22 GLY CA C 22 47.300 45.986 1.314 1
1 276 . 18 1 1 A 22 22 GLY N N 22 108.600 109.513 -0.913 1
1 277 . 18 1 1 A 23 23 ALA H H 23 8.480 8.021 0.459 1
1 278 . 18 1 1 A 23 23 ALA HA H 23 4.080 3.978 0.102 1
1 282 . 18 1 1 A 23 23 ALA C C 23 180.100 179.376 0.724 1
1 283 . 18 1 1 A 23 23 ALA CA C 23 54.700 54.863 -0.163 1
1 284 . 18 1 1 A 23 23 ALA CB C 23 18.400 18.726 -0.326 1
1 285 . 18 1 1 A 23 23 ALA N N 23 123.300 123.979 -0.679 1
1 286 . 18 1 1 A 24 24 LEU H H 24 7.830 8.014 -0.184 1
1 287 . 18 1 1 A 24 24 LEU HA H 24 4.120 4.113 0.007 1
1 297 . 18 1 1 A 24 24 LEU C C 24 178.600 178.808 -0.208 1
1 298 . 18 1 1 A 24 24 LEU CA C 24 57.800 57.666 0.134 1
1 299 . 18 1 1 A 24 24 LEU CB C 24 41.100 41.800 -0.700 1
1 303 . 18 1 1 A 24 24 LEU N N 24 120.400 119.849 0.551 1
1 304 . 18 1 1 A 25 25 LYS H H 25 7.960 8.320 -0.360 1
1 305 . 18 1 1 A 25 25 LYS HA H 25 3.750 3.830 -0.080 1
1 314 . 18 1 1 A 25 25 LYS C C 25 178.300 178.999 -0.699 1
1 315 . 18 1 1 A 25 25 LYS CA C 25 60.400 60.391 0.009 1
1 316 . 18 1 1 A 25 25 LYS CB C 25 32.000 32.230 -0.230 1
1 320 . 18 1 1 A 25 25 LYS N N 25 118.000 119.264 -1.264 1
1 321 . 18 1 1 A 26 26 ARG H H 26 7.890 8.335 -0.445 1
1 322 . 18 1 1 A 26 26 ARG HA H 26 3.970 4.020 -0.050 1
1 329 . 18 1 1 A 26 26 ARG C C 26 177.700 178.491 -0.791 1
1 330 . 18 1 1 A 26 26 ARG CA C 26 58.700 59.250 -0.550 1
1 331 . 18 1 1 A 26 26 ARG CB C 26 30.000 29.785 0.215 1
1 334 . 18 1 1 A 26 26 ARG N N 26 117.100 119.758 -2.658 1
1 335 . 18 1 1 A 27 27 ARG H H 27 7.660 7.782 -0.122 1
1 336 . 18 1 1 A 27 27 ARG HA H 27 4.100 4.142 -0.042 1
1 343 . 18 1 1 A 27 27 ARG C C 27 179.000 178.728 0.272 1
1 344 . 18 1 1 A 27 27 ARG CA C 27 59.100 57.470 1.630 1
1 345 . 18 1 1 A 27 27 ARG CB C 27 29.800 30.008 -0.208 1
1 348 . 18 1 1 A 27 27 ARG N N 27 118.600 119.654 -1.054 1
1 349 . 18 1 1 A 28 28 ILE H H 28 7.970 8.118 -0.148 1
1 350 . 18 1 1 A 28 28 ILE HA H 28 3.740 3.593 0.147 1
1 360 . 18 1 1 A 28 28 ILE C C 28 178.700 177.935 0.765 1
1 361 . 18 1 1 A 28 28 ILE CA C 28 64.800 65.003 -0.203 1
1 362 . 18 1 1 A 28 28 ILE CB C 28 38.100 37.891 0.209 1
1 366 . 18 1 1 A 28 28 ILE N N 28 119.400 119.913 -0.513 1
1 367 . 18 1 1 A 29 29 MET H H 29 8.420 8.056 0.364 1
1 368 . 18 1 1 A 29 29 MET HA H 29 4.370 4.451 -0.081 1
1 376 . 18 1 1 A 29 29 MET C C 29 181.400 177.945 3.455 1
1 377 . 18 1 1 A 29 29 MET CA C 29 59.100 58.085 1.015 1
1 378 . 18 1 1 A 29 29 MET CB C 29 32.800 31.247 1.553 1
1 381 . 18 1 1 A 29 29 MET N N 29 119.900 118.420 1.480 1
1 382 . 18 1 1 A 30 30 ASP H H 30 8.650 8.523 0.127 1
1 383 . 18 1 1 A 30 30 ASP HA H 30 4.440 4.341 0.099 1
1 386 . 18 1 1 A 30 30 ASP C C 30 178.200 178.266 -0.066 1
1 387 . 18 1 1 A 30 30 ASP CA C 30 56.700 57.638 -0.938 1
1 388 . 18 1 1 A 30 30 ASP CB C 30 39.900 41.883 -1.983 1
1 389 . 18 1 1 A 30 30 ASP N N 30 121.800 120.710 1.090 1
1 390 . 18 1 1 A 31 31 MET H H 31 7.570 7.513 0.057 1
1 391 . 18 1 1 A 31 31 MET HA H 31 4.290 4.428 -0.138 1
1 399 . 18 1 1 A 31 31 MET C C 31 175.700 176.127 -0.427 1
1 400 . 18 1 1 A 31 31 MET CA C 31 56.800 55.897 0.903 1
1 401 . 18 1 1 A 31 31 MET CB C 31 33.300 32.296 1.004 1
1 404 . 18 1 1 A 31 31 MET N N 31 117.500 116.184 1.316 1
1 405 . 18 1 1 A 32 32 GLY H H 32 7.990 7.713 0.277 1
1 406 . 18 1 1 A 32 32 GLY HA2 H 32 4.270 4.026 0.244 1
1 407 . 18 1 1 A 32 32 GLY HA3 H 32 3.630 4.038 -0.408 1
1 408 . 18 1 1 A 32 32 GLY C C 32 173.600 174.554 -0.954 1
1 409 . 18 1 1 A 32 32 GLY CA C 32 44.200 44.878 -0.678 1
1 410 . 18 1 1 A 32 32 GLY N N 32 104.400 105.320 -0.920 1
1 411 . 18 1 1 A 33 33 ILE H H 33 7.140 7.401 -0.261 1
1 412 . 18 1 1 A 33 33 ILE HA H 33 4.120 4.013 0.107 1
1 422 . 18 1 1 A 33 33 ILE C C 33 172.400 174.612 -2.212 1
1 423 . 18 1 1 A 33 33 ILE CA C 33 61.700 60.876 0.824 1
1 424 . 18 1 1 A 33 33 ILE CB C 33 37.200 36.561 0.639 1
1 428 . 18 1 1 A 33 33 ILE N N 33 120.800 122.829 -2.029 1
1 429 . 18 1 1 A 34 34 THR H H 34 6.930 8.396 -1.466 1
1 430 . 18 1 1 A 34 34 THR HA H 34 4.590 5.186 -0.596 1
1 435 . 18 1 1 A 34 34 THR C C 34 174.400 173.920 0.480 1
1 436 . 18 1 1 A 34 34 THR CA C 34 58.300 59.224 -0.924 1
1 437 . 18 1 1 A 34 34 THR CB C 34 72.200 71.419 0.781 1
1 439 . 18 1 1 A 34 34 THR N N 34 113.300 117.753 -4.453 1
1 440 . 18 1 1 A 35 35 ARG H H 35 8.760 8.494 0.266 1
1 441 . 18 1 1 A 35 35 ARG HA H 35 3.520 4.140 -0.620 1
1 448 . 18 1 1 A 35 35 ARG C C 35 176.800 176.605 0.195 1
1 449 . 18 1 1 A 35 35 ARG CA C 35 58.700 56.384 2.316 1
1 450 . 18 1 1 A 35 35 ARG CB C 35 29.700 30.425 -0.725 1
1 453 . 18 1 1 A 35 35 ARG N N 35 121.300 121.201 0.099 1
1 454 . 18 1 1 A 36 36 GLY H H 36 8.950 9.330 -0.380 1
1 455 . 18 1 1 A 36 36 GLY HA2 H 36 4.460 4.005 0.455 1
1 456 . 18 1 1 A 36 36 GLY HA3 H 36 3.560 4.006 -0.446 1
1 457 . 18 1 1 A 36 36 GLY C C 36 173.900 174.231 -0.331 1
1 458 . 18 1 1 A 36 36 GLY CA C 36 44.700 45.019 -0.319 1
1 459 . 18 1 1 A 36 36 GLY N N 36 114.200 110.733 3.467 1
1 460 . 18 1 1 A 37 37 CYS H H 37 7.950 7.603 0.347 1
1 461 . 18 1 1 A 37 37 CYS HA H 37 4.550 4.638 -0.088 1
1 464 . 18 1 1 A 37 37 CYS C C 37 172.900 174.633 -1.733 1
1 465 . 18 1 1 A 37 37 CYS CA C 37 59.200 59.080 0.120 1
1 466 . 18 1 1 A 37 37 CYS CB C 37 28.000 28.909 -0.909 1
1 467 . 18 1 1 A 37 37 CYS N N 37 118.400 119.576 -1.176 1
1 468 . 18 1 1 A 38 38 GLU H H 38 8.540 8.590 -0.050 1
1 469 . 18 1 1 A 38 38 GLU HA H 38 5.160 4.834 0.326 1
1 474 . 18 1 1 A 38 38 GLU C C 38 176.000 175.808 0.192 1
1 475 . 18 1 1 A 38 38 GLU CA C 38 55.300 56.187 -0.887 1
1 476 . 18 1 1 A 38 38 GLU CB C 38 31.500 30.555 0.945 1
1 478 . 18 1 1 A 38 38 GLU N N 38 123.100 123.122 -0.022 1
1 479 . 18 1 1 A 39 39 ILE H H 39 9.360 9.954 -0.594 1
1 480 . 18 1 1 A 39 39 ILE HA H 39 4.600 4.965 -0.365 1
1 490 . 18 1 1 A 39 39 ILE C C 39 173.700 173.773 -0.073 1
1 491 . 18 1 1 A 39 39 ILE CA C 39 60.500 60.323 0.177 1
1 492 . 18 1 1 A 39 39 ILE CB C 39 41.300 40.170 1.130 1
1 496 . 18 1 1 A 39 39 ILE N N 39 124.000 124.416 -0.416 1
1 497 . 18 1 1 A 40 40 TYR H H 40 8.540 9.140 -0.600 1
1 498 . 18 1 1 A 40 40 TYR HA H 40 5.340 4.972 0.368 1
1 505 . 18 1 1 A 40 40 TYR C C 40 175.000 174.332 0.668 1
1 506 . 18 1 1 A 40 40 TYR CA C 40 55.900 56.762 -0.862 1
1 507 . 18 1 1 A 40 40 TYR CB C 40 40.900 39.885 1.015 1
1 510 . 18 1 1 A 40 40 TYR N N 40 127.000 128.924 -1.924 1
1 511 . 18 1 1 A 41 41 ILE H H 41 7.850 8.853 -1.003 1
1 512 . 18 1 1 A 41 41 ILE HA H 41 3.910 3.980 -0.070 1
1 522 . 18 1 1 A 41 41 ILE C C 41 173.600 175.651 -2.051 1
1 523 . 18 1 1 A 41 41 ILE CA C 41 61.500 61.566 -0.066 1
1 524 . 18 1 1 A 41 41 ILE CB C 41 35.800 36.675 -0.875 1
1 528 . 18 1 1 A 41 41 ILE N N 41 127.800 127.638 0.162 1
1 529 . 18 1 1 A 42 42 ARG H H 42 8.460 8.937 -0.477 1
1 530 . 18 1 1 A 42 42 ARG HA H 42 4.110 4.218 -0.108 1
1 537 . 18 1 1 A 42 42 ARG C C 42 176.500 175.431 1.069 1
1 538 . 18 1 1 A 42 42 ARG CA C 42 57.700 57.460 0.240 1
1 539 . 18 1 1 A 42 42 ARG CB C 42 31.400 31.461 -0.061 1
1 542 . 18 1 1 A 42 42 ARG N N 42 128.100 129.940 -1.840 1
1 543 . 18 1 1 A 43 43 LYS H H 43 7.920 7.784 0.136 1
1 544 . 18 1 1 A 43 43 LYS HA H 43 4.530 4.740 -0.210 1
1 553 . 18 1 1 A 43 43 LYS C C 43 173.100 174.771 -1.671 1
1 554 . 18 1 1 A 43 43 LYS CA C 43 56.400 54.849 1.551 1
1 555 . 18 1 1 A 43 43 LYS CB C 43 36.100 36.425 -0.325 1
1 559 . 18 1 1 A 43 43 LYS N N 43 116.400 117.073 -0.673 1
1 560 . 18 1 1 A 44 44 VAL H H 44 8.450 8.913 -0.463 1
1 561 . 18 1 1 A 44 44 VAL HA H 44 4.260 4.568 -0.308 1
1 569 . 18 1 1 A 44 44 VAL C C 44 175.000 175.246 -0.246 1
1 570 . 18 1 1 A 44 44 VAL CA C 44 61.500 60.896 0.604 1
1 571 . 18 1 1 A 44 44 VAL CB C 44 34.200 33.804 0.396 1
1 574 . 18 1 1 A 44 44 VAL N N 44 123.900 123.262 0.638 1
1 575 . 18 1 1 A 45 45 ALA H H 45 7.550 8.178 -0.628 1
1 576 . 18 1 1 A 45 45 ALA HA H 45 4.480 4.433 0.047 1
1 580 . 18 1 1 A 45 45 ALA CA C 45 51.500 50.736 0.764 1
1 581 . 18 1 1 A 45 45 ALA CB C 45 17.600 17.746 -0.146 1
1 582 . 18 1 1 A 45 45 ALA N N 45 129.600 130.879 -1.279 1
1 583 . 18 1 1 A 46 46 PRO HA H 46 4.290 4.674 -0.384 1
1 590 . 18 1 1 A 46 46 PRO C C 46 177.800 176.214 1.586 1
1 591 . 18 1 1 A 46 46 PRO CA C 46 65.500 62.306 3.194 1
1 592 . 18 1 1 A 46 46 PRO CB C 46 31.600 29.533 2.067 1
1 595 . 18 1 1 A 47 47 LEU H H 47 8.330 8.309 0.021 1
1 596 . 18 1 1 A 47 47 LEU HA H 47 4.330 4.574 -0.244 1
1 606 . 18 1 1 A 47 47 LEU C C 47 178.000 177.020 0.980 1
1 607 . 18 1 1 A 47 47 LEU CA C 47 55.300 55.451 -0.151 1
1 608 . 18 1 1 A 47 47 LEU CB C 47 40.300 44.986 -4.686 1
1 612 . 18 1 1 A 47 47 LEU N N 47 115.100 123.600 -8.500 1
1 613 . 18 1 1 A 48 48 GLY H H 48 8.420 7.947 0.473 1
1 614 . 18 1 1 A 48 48 GLY HA2 H 48 4.090 4.037 0.053 1
1 615 . 18 1 1 A 48 48 GLY HA3 H 48 3.490 4.039 -0.549 1
1 616 . 18 1 1 A 48 48 GLY C C 48 171.900 173.098 -1.198 1
1 617 . 18 1 1 A 48 48 GLY CA C 48 45.500 45.377 0.123 1
1 618 . 18 1 1 A 48 48 GLY N N 48 107.400 107.741 -0.341 1
1 619 . 18 1 1 A 49 49 ASP H H 49 6.850 7.697 -0.847 1
1 620 . 18 1 1 A 49 49 ASP HA H 49 5.050 5.193 -0.143 1
1 623 . 18 1 1 A 49 49 ASP CA C 49 50.200 51.542 -1.342 1
1 624 . 18 1 1 A 49 49 ASP CB C 49 45.300 42.874 2.426 1
1 625 . 18 1 1 A 49 49 ASP N N 49 116.000 116.298 -0.298 1
1 626 . 18 1 1 A 50 50 PRO HA H 50 5.450 4.665 0.785 1
1 633 . 18 1 1 A 50 50 PRO C C 50 174.900 175.633 -0.733 1
1 634 . 18 1 1 A 50 50 PRO CA C 50 63.900 62.220 1.680 1
1 635 . 18 1 1 A 50 50 PRO CB C 50 35.600 32.783 2.817 1
1 638 . 18 1 1 A 51 51 ILE H H 51 8.980 9.315 -0.335 1
1 639 . 18 1 1 A 51 51 ILE HA H 51 4.400 4.337 0.063 1
1 649 . 18 1 1 A 51 51 ILE C C 51 174.500 174.459 0.041 1
1 650 . 18 1 1 A 51 51 ILE CA C 51 61.100 60.343 0.757 1
1 651 . 18 1 1 A 51 51 ILE CB C 51 40.900 38.769 2.131 1
1 655 . 18 1 1 A 51 51 ILE N N 51 118.100 120.540 -2.440 1
1 656 . 18 1 1 A 52 52 GLN H H 52 9.060 9.134 -0.074 1
1 657 . 18 1 1 A 52 52 GLN HA H 52 5.160 5.045 0.115 1
1 664 . 18 1 1 A 52 52 GLN C C 52 175.800 175.757 0.043 1
1 665 . 18 1 1 A 52 52 GLN CA C 52 54.900 55.211 -0.311 1
1 666 . 18 1 1 A 52 52 GLN CB C 52 29.600 29.895 -0.295 1
1 668 . 18 1 1 A 52 52 GLN N N 52 126.100 127.523 -1.423 1
1 670 . 18 1 1 A 53 53 ILE H H 53 9.080 9.421 -0.341 1
1 671 . 18 1 1 A 53 53 ILE HA H 53 5.440 5.341 0.099 1
1 681 . 18 1 1 A 53 53 ILE C C 53 174.000 174.246 -0.246 1
1 682 . 18 1 1 A 53 53 ILE CA C 53 58.700 58.954 -0.254 1
1 683 . 18 1 1 A 53 53 ILE CB C 53 41.500 41.738 -0.238 1
1 687 . 18 1 1 A 53 53 ILE N N 53 117.600 121.005 -3.405 1
1 688 . 18 1 1 A 54 54 ASN H H 54 9.360 9.107 0.253 1
1 689 . 18 1 1 A 54 54 ASN HA H 54 5.840 5.825 0.015 1
1 694 . 18 1 1 A 54 54 ASN C C 54 174.800 174.638 0.162 1
1 695 . 18 1 1 A 54 54 ASN CA C 54 52.300 52.308 -0.008 1
1 696 . 18 1 1 A 54 54 ASN CB C 54 42.200 40.104 2.096 1
1 697 . 18 1 1 A 54 54 ASN N N 54 120.100 120.200 -0.100 1
1 699 . 18 1 1 A 55 55 VAL H H 55 8.900 8.505 0.395 1
1 700 . 18 1 1 A 55 55 VAL HA H 55 4.480 4.655 -0.175 1
1 708 . 18 1 1 A 55 55 VAL C C 55 174.400 176.072 -1.672 1
1 709 . 18 1 1 A 55 55 VAL CA C 55 60.800 61.064 -0.264 1
1 710 . 18 1 1 A 55 55 VAL CB C 55 34.300 34.260 0.040 1
1 713 . 18 1 1 A 55 55 VAL N N 55 124.400 124.653 -0.253 1
1 714 . 18 1 1 A 56 56 ARG H H 56 9.680 9.169 0.511 1
1 715 . 18 1 1 A 56 56 ARG HA H 56 3.880 3.932 -0.052 1
1 722 . 18 1 1 A 56 56 ARG C C 56 175.000 176.084 -1.084 1
1 723 . 18 1 1 A 56 56 ARG CA C 56 57.200 58.839 -1.639 1
1 724 . 18 1 1 A 56 56 ARG CB C 56 28.400 28.795 -0.395 1
1 727 . 18 1 1 A 56 56 ARG N N 56 125.100 123.618 1.482 1
1 728 . 18 1 1 A 57 57 GLY H H 57 8.130 8.422 -0.292 1
1 729 . 18 1 1 A 57 57 GLY HA2 H 57 4.130 3.893 0.237 1
1 730 . 18 1 1 A 57 57 GLY HA3 H 57 3.610 4.016 -0.406 1
1 731 . 18 1 1 A 57 57 GLY C C 57 174.300 173.006 1.294 1
1 732 . 18 1 1 A 57 57 GLY CA C 57 45.300 45.540 -0.240 1
1 733 . 18 1 1 A 57 57 GLY N N 57 103.500 105.234 -1.734 1
1 734 . 18 1 1 A 58 58 TYR H H 58 8.180 7.953 0.227 1
1 735 . 18 1 1 A 58 58 TYR HA H 58 4.750 4.926 -0.176 1
1 742 . 18 1 1 A 58 58 TYR C C 58 174.500 175.237 -0.737 1
1 743 . 18 1 1 A 58 58 TYR CA C 58 56.600 56.897 -0.297 1
1 744 . 18 1 1 A 58 58 TYR CB C 58 39.500 42.058 -2.558 1
1 747 . 18 1 1 A 58 58 TYR N N 58 121.300 118.735 2.565 1
1 748 . 18 1 1 A 59 59 GLU H H 59 8.480 8.904 -0.424 1
1 749 . 18 1 1 A 59 59 GLU HA H 59 5.120 4.729 0.391 1
1 754 . 18 1 1 A 59 59 GLU C C 59 178.400 175.375 3.025 1
1 755 . 18 1 1 A 59 59 GLU CA C 59 55.200 56.334 -1.134 1
1 756 . 18 1 1 A 59 59 GLU CB C 59 30.400 30.355 0.045 1
1 758 . 18 1 1 A 59 59 GLU N N 59 122.400 122.049 0.351 1
1 759 . 18 1 1 A 60 60 LEU H H 60 8.900 9.676 -0.776 1
1 760 . 18 1 1 A 60 60 LEU HA H 60 4.830 5.112 -0.282 1
1 770 . 18 1 1 A 60 60 LEU C C 60 175.100 175.951 -0.851 1
1 771 . 18 1 1 A 60 60 LEU CA C 60 53.800 53.379 0.421 1
1 772 . 18 1 1 A 60 60 LEU CB C 60 46.200 45.233 0.967 1
1 776 . 18 1 1 A 60 60 LEU N N 60 124.600 126.996 -2.396 1
1 777 . 18 1 1 A 61 61 SER H H 61 8.390 9.170 -0.780 1
1 778 . 18 1 1 A 61 61 SER HA H 61 5.150 5.501 -0.351 1
1 781 . 18 1 1 A 61 61 SER C C 61 173.300 173.187 0.113 1
1 782 . 18 1 1 A 61 61 SER CA C 61 56.600 56.723 -0.123 1
1 783 . 18 1 1 A 61 61 SER CB C 61 63.900 64.498 -0.598 1
1 784 . 18 1 1 A 61 61 SER N N 61 116.100 116.144 -0.044 1
1 785 . 18 1 1 A 62 62 LEU H H 62 9.190 9.296 -0.106 1
1 786 . 18 1 1 A 62 62 LEU HA H 62 4.700 4.908 -0.208 1
1 796 . 18 1 1 A 62 62 LEU C C 62 175.800 176.586 -0.786 1
1 797 . 18 1 1 A 62 62 LEU CA C 62 53.000 53.349 -0.349 1
1 798 . 18 1 1 A 62 62 LEU CB C 62 45.900 43.635 2.265 1
1 802 . 18 1 1 A 62 62 LEU N N 62 126.800 127.004 -0.204 1
1 803 . 18 1 1 A 63 63 ARG H H 63 8.670 8.847 -0.177 1
1 804 . 18 1 1 A 63 63 ARG HA H 63 4.640 4.309 0.331 1
1 811 . 18 1 1 A 63 63 ARG C C 63 176.000 177.605 -1.605 1
1 812 . 18 1 1 A 63 63 ARG CA C 63 53.700 56.713 -3.013 1
1 813 . 18 1 1 A 63 63 ARG CB C 63 29.100 30.758 -1.658 1
1 816 . 18 1 1 A 63 63 ARG N N 63 120.600 124.294 -3.694 1
1 817 . 18 1 1 A 64 64 LYS H H 64 8.900 8.783 0.117 1
1 818 . 18 1 1 A 64 64 LYS HA H 64 3.800 4.021 -0.221 1
1 827 . 18 1 1 A 64 64 LYS C C 64 177.100 178.343 -1.243 1
1 828 . 18 1 1 A 64 64 LYS CA C 64 60.200 58.844 1.356 1
1 829 . 18 1 1 A 64 64 LYS CB C 64 32.300 31.932 0.368 1
1 833 . 18 1 1 A 64 64 LYS N N 64 124.600 123.923 0.677 1
1 834 . 18 1 1 A 65 65 SER H H 65 8.380 8.051 0.329 1
1 835 . 18 1 1 A 65 65 SER HA H 65 4.130 4.120 0.010 1
1 838 . 18 1 1 A 65 65 SER C C 65 176.000 176.474 -0.474 1
1 839 . 18 1 1 A 65 65 SER CA C 65 60.300 61.934 -1.634 1
1 840 . 18 1 1 A 65 65 SER CB C 65 61.900 62.764 -0.864 1
1 841 . 18 1 1 A 65 65 SER N N 65 110.900 117.607 -6.707 1
1 842 . 18 1 1 A 66 66 ALA H H 66 6.910 7.907 -0.997 1
1 843 . 18 1 1 A 66 66 ALA HA H 66 4.290 4.160 0.130 1
1 847 . 18 1 1 A 66 66 ALA C C 66 178.800 179.260 -0.460 1
1 848 . 18 1 1 A 66 66 ALA CA C 66 54.000 54.832 -0.832 1
1 849 . 18 1 1 A 66 66 ALA CB C 66 18.800 18.400 0.400 1
1 850 . 18 1 1 A 66 66 ALA N N 66 122.600 123.603 -1.003 1
1 851 . 18 1 1 A 67 67 ALA H H 67 8.050 8.342 -0.292 1
1 852 . 18 1 1 A 67 67 ALA HA H 67 3.850 3.953 -0.103 1
1 856 . 18 1 1 A 67 67 ALA C C 67 178.800 179.354 -0.554 1
1 857 . 18 1 1 A 67 67 ALA CA C 67 54.900 55.197 -0.297 1
1 858 . 18 1 1 A 67 67 ALA CB C 67 18.700 18.097 0.603 1
1 859 . 18 1 1 A 67 67 ALA N N 67 118.800 120.068 -1.268 1
1 860 . 18 1 1 A 68 68 GLU H H 68 7.910 8.468 -0.558 1
1 861 . 18 1 1 A 68 68 GLU HA H 68 4.150 4.292 -0.142 1
1 866 . 18 1 1 A 68 68 GLU C C 68 175.900 177.203 -1.303 1
1 867 . 18 1 1 A 68 68 GLU CA C 68 57.200 57.364 -0.164 1
1 868 . 18 1 1 A 68 68 GLU CB C 68 29.800 28.532 1.268 1
1 870 . 18 1 1 A 68 68 GLU N N 68 113.100 115.120 -2.020 1
1 871 . 18 1 1 A 69 69 MET H H 69 7.360 8.174 -0.814 1
1 872 . 18 1 1 A 69 69 MET HA H 69 4.590 4.420 0.170 1
1 880 . 18 1 1 A 69 69 MET C C 69 174.400 175.199 -0.799 1
1 881 . 18 1 1 A 69 69 MET CA C 69 53.800 54.481 -0.681 1
1 882 . 18 1 1 A 69 69 MET CB C 69 32.400 33.987 -1.587 1
1 885 . 18 1 1 A 69 69 MET N N 69 114.100 115.172 -1.072 1
1 886 . 18 1 1 A 70 70 ILE H H 70 7.310 7.137 0.173 1
1 887 . 18 1 1 A 70 70 ILE HA H 70 4.260 4.295 -0.035 1
1 897 . 18 1 1 A 70 70 ILE C C 70 174.100 174.771 -0.671 1
1 898 . 18 1 1 A 70 70 ILE CA C 70 60.900 60.954 -0.054 1
1 899 . 18 1 1 A 70 70 ILE CB C 70 38.700 38.391 0.309 1
1 903 . 18 1 1 A 70 70 ILE N N 70 120.300 121.520 -1.220 1
1 904 . 18 1 1 A 71 71 GLU H H 71 8.910 9.234 -0.324 1
1 905 . 18 1 1 A 71 71 GLU HA H 71 4.750 4.771 -0.021 1
1 910 . 18 1 1 A 71 71 GLU C C 71 177.100 176.677 0.423 1
1 911 . 18 1 1 A 71 71 GLU CA C 71 55.900 56.082 -0.182 1
1 912 . 18 1 1 A 71 71 GLU CB C 71 30.600 30.668 -0.068 1
1 914 . 18 1 1 A 71 71 GLU N N 71 129.500 128.640 0.860 1
1 915 . 18 1 1 A 72 72 VAL H H 72 8.880 9.084 -0.204 1
1 916 . 18 1 1 A 72 72 VAL HA H 72 5.520 5.511 0.009 1
1 924 . 18 1 1 A 72 72 VAL C C 72 173.200 173.755 -0.555 1
1 925 . 18 1 1 A 72 72 VAL CA C 72 58.500 58.732 -0.232 1
1 926 . 18 1 1 A 72 72 VAL CB C 72 36.200 35.763 0.437 1
1 929 . 18 1 1 A 72 72 VAL N N 72 119.400 120.440 -1.040 1
1 930 . 18 1 1 A 73 73 GLU H H 73 8.720 9.123 -0.403 1
1 931 . 18 1 1 A 73 73 GLU HA H 73 4.750 5.019 -0.269 1
1 936 . 18 1 1 A 73 73 GLU C C 73 175.300 175.515 -0.215 1
1 937 . 18 1 1 A 73 73 GLU CA C 73 54.000 54.407 -0.407 1
1 938 . 18 1 1 A 73 73 GLU CB C 73 33.300 33.466 -0.166 1
1 940 . 18 1 1 A 73 73 GLU N N 73 116.600 120.888 -4.288 1
1 941 . 18 1 1 A 74 74 LEU H H 74 8.780 8.228 0.552 1
1 942 . 18 1 1 A 74 74 LEU HA H 74 4.330 4.274 0.056 1
1 952 . 18 1 1 A 74 74 LEU C C 74 176.400 177.068 -0.668 1
1 953 . 18 1 1 A 74 74 LEU CA C 74 55.400 54.383 1.017 1
1 954 . 18 1 1 A 74 74 LEU CB C 74 42.600 42.078 0.522 1
1 958 . 18 1 1 A 74 74 LEU N N 74 124.100 125.711 -1.611 1
1 959 . 18 1 1 A 75 75 GLU H H 75 8.450 8.399 0.051 1
1 960 . 18 1 1 A 75 75 GLU HA H 75 4.350 4.183 0.167 1
1 965 . 18 1 1 A 75 75 GLU C C 75 175.700 175.741 -0.041 1
1 966 . 18 1 1 A 75 75 GLU CA C 75 55.800 55.408 0.392 1
1 967 . 18 1 1 A 75 75 GLU CB C 75 30.500 30.246 0.254 1
1 969 . 18 1 1 A 75 75 GLU N N 75 123.500 121.174 2.326 1
1 970 . 18 1 1 A 76 76 HIS H H 76 8.500 8.562 -0.062 1
1 971 . 18 1 1 A 76 76 HIS HA H 76 4.590 5.023 -0.433 1
1 976 . 18 1 1 A 76 76 HIS C C 76 173.800 174.110 -0.310 1
1 977 . 18 1 1 A 76 76 HIS CA C 76 55.700 54.120 1.580 1
1 978 . 18 1 1 A 76 76 HIS CB C 76 30.200 30.364 -0.164 1
1 981 . 18 1 1 A 76 76 HIS N N 76 120.800 117.604 3.196 1
1 982 . 18 1 1 A 77 77 HIS H H 77 8.100 8.748 -0.648 1
1 983 . 18 1 1 A 77 77 HIS HA H 77 4.610 4.569 0.041 1
1 988 . 18 1 1 A 77 77 HIS C C 77 180.000 174.929 5.071 1
1 989 . 18 1 1 A 77 77 HIS CA C 77 56.400 56.034 0.366 1
1 990 . 18 1 1 A 77 77 HIS CB C 77 29.900 30.572 -0.672 1
1 993 . 18 1 1 A 77 77 HIS N N 77 125.100 123.636 1.464 1
1 994 . 18 1 1 A 78 78 HIS H H 78 8.250 8.781 -0.531 1
1 995 . 18 1 1 A 78 78 HIS HA H 78 4.620 5.066 -0.446 1
1 1000 . 18 1 1 A 78 78 HIS C C 78 180.000 175.328 4.672 1
1 1001 . 18 1 1 A 78 78 HIS CA C 78 56.400 54.174 2.226 1
1 1002 . 18 1 1 A 78 78 HIS CB C 78 29.900 31.088 -1.188 1
1 1005 . 18 1 1 A 78 78 HIS N N 78 119.400 119.826 -0.426 1
1 1006 . 18 1 1 A 79 79 HIS H H 79 8.250 8.524 -0.274 1
1 1007 . 18 1 1 A 79 79 HIS HA H 79 4.620 4.456 0.164 1
1 1012 . 18 1 1 A 79 79 HIS C C 79 180.000 176.435 3.565 1
1 1013 . 18 1 1 A 79 79 HIS CA C 79 56.400 55.256 1.144 1
1 1014 . 18 1 1 A 79 79 HIS CB C 79 29.900 31.064 -1.164 1
1 1017 . 18 1 1 A 79 79 HIS N N 79 119.400 122.101 -2.701 1
1 1018 . 18 1 1 A 80 80 HIS H H 80 8.250 8.699 -0.449 1
1 1019 . 18 1 1 A 80 80 HIS HA H 80 4.620 4.635 -0.015 1
1 1024 . 18 1 1 A 80 80 HIS C C 80 180.000 175.811 4.189 1
1 1025 . 18 1 1 A 80 80 HIS CA C 80 56.400 58.145 -1.745 1
1 1026 . 18 1 1 A 80 80 HIS CB C 80 29.900 30.729 -0.829 1
1 1029 . 18 1 1 A 80 80 HIS N N 80 119.400 119.636 -0.236 1
1 16 . 19 1 1 A 2 2 PHE H H 2 9.360 8.836 0.524 1
1 17 . 19 1 1 A 2 2 PHE HA H 2 4.960 5.259 -0.299 1
1 25 . 19 1 1 A 2 2 PHE C C 2 173.300 173.860 -0.560 1
1 26 . 19 1 1 A 2 2 PHE CA C 2 56.400 55.481 0.919 1
1 27 . 19 1 1 A 2 2 PHE CB C 2 38.500 40.439 -1.939 1
1 31 . 19 1 1 A 2 2 PHE N N 2 127.300 121.553 5.747 1
1 32 . 19 1 1 A 3 3 SER H H 3 9.150 8.620 0.530 1
1 33 . 19 1 1 A 3 3 SER HA H 3 5.590 5.093 0.497 1
1 36 . 19 1 1 A 3 3 SER C C 3 176.100 175.393 0.707 1
1 37 . 19 1 1 A 3 3 SER CA C 3 56.500 55.865 0.635 1
1 38 . 19 1 1 A 3 3 SER CB C 3 68.100 66.395 1.705 1
1 39 . 19 1 1 A 3 3 SER N N 3 124.000 118.500 5.500 1
1 40 . 19 1 1 A 4 4 LEU H H 4 8.540 8.596 -0.056 1
1 41 . 19 1 1 A 4 4 LEU HA H 4 3.770 3.990 -0.220 1
1 51 . 19 1 1 A 4 4 LEU C C 4 177.200 178.031 -0.831 1
1 52 . 19 1 1 A 4 4 LEU CA C 4 57.300 57.658 -0.358 1
1 53 . 19 1 1 A 4 4 LEU CB C 4 41.600 41.762 -0.162 1
1 57 . 19 1 1 A 4 4 LEU N N 4 120.800 122.435 -1.635 1
1 58 . 19 1 1 A 5 5 ARG H H 5 7.150 8.061 -0.911 1
1 59 . 19 1 1 A 5 5 ARG HA H 5 3.830 3.899 -0.069 1
1 66 . 19 1 1 A 5 5 ARG C C 5 175.900 178.164 -2.264 1
1 67 . 19 1 1 A 5 5 ARG CA C 5 57.300 59.201 -1.901 1
1 68 . 19 1 1 A 5 5 ARG CB C 5 29.400 29.837 -0.437 1
1 71 . 19 1 1 A 5 5 ARG N N 5 115.100 119.450 -4.350 1
1 72 . 19 1 1 A 6 6 ASP H H 6 7.600 7.445 0.155 1
1 73 . 19 1 1 A 6 6 ASP HA H 6 4.490 4.600 -0.110 1
1 76 . 19 1 1 A 6 6 ASP C C 6 175.700 176.177 -0.477 1
1 77 . 19 1 1 A 6 6 ASP CA C 6 54.700 54.984 -0.284 1
1 78 . 19 1 1 A 6 6 ASP CB C 6 42.000 41.824 0.176 1
1 79 . 19 1 1 A 6 6 ASP N N 6 117.000 116.648 0.352 1
1 80 . 19 1 1 A 7 7 ALA H H 7 6.990 7.033 -0.043 1
1 81 . 19 1 1 A 7 7 ALA HA H 7 4.390 4.255 0.135 1
1 85 . 19 1 1 A 7 7 ALA C C 7 175.300 176.865 -1.565 1
1 86 . 19 1 1 A 7 7 ALA CA C 7 51.600 52.255 -0.655 1
1 87 . 19 1 1 A 7 7 ALA CB C 7 19.500 19.779 -0.279 1
1 88 . 19 1 1 A 7 7 ALA N N 7 122.200 121.797 0.403 1
1 89 . 19 1 1 A 8 8 LYS H H 8 8.270 8.699 -0.429 1
1 90 . 19 1 1 A 8 8 LYS HA H 8 4.480 4.814 -0.334 1
1 99 . 19 1 1 A 8 8 LYS C C 8 175.600 176.056 -0.456 1
1 100 . 19 1 1 A 8 8 LYS CA C 8 53.800 54.533 -0.733 1
1 101 . 19 1 1 A 8 8 LYS CB C 8 34.600 35.639 -1.039 1
1 105 . 19 1 1 A 8 8 LYS N N 8 118.500 116.975 1.525 1
1 106 . 19 1 1 A 9 9 CYS H H 9 8.400 8.549 -0.149 1
1 107 . 19 1 1 A 9 9 CYS HA H 9 3.630 4.271 -0.641 1
1 110 . 19 1 1 A 9 9 CYS C C 9 175.700 175.266 0.434 1
1 111 . 19 1 1 A 9 9 CYS CA C 9 60.300 59.856 0.444 1
1 112 . 19 1 1 A 9 9 CYS CB C 9 26.700 27.593 -0.893 1
1 113 . 19 1 1 A 9 9 CYS N N 9 117.100 120.711 -3.611 1
1 114 . 19 1 1 A 10 10 GLY H H 10 8.950 9.384 -0.434 1
1 115 . 19 1 1 A 10 10 GLY HA2 H 10 3.790 3.827 -0.037 1
1 116 . 19 1 1 A 10 10 GLY HA3 H 10 4.350 3.922 0.428 1
1 117 . 19 1 1 A 10 10 GLY C C 10 174.600 174.335 0.265 1
1 118 . 19 1 1 A 10 10 GLY CA C 10 44.600 44.833 -0.233 1
1 119 . 19 1 1 A 10 10 GLY N N 10 114.200 112.837 1.363 1
1 120 . 19 1 1 A 11 11 GLN H H 11 7.750 7.273 0.477 1
1 121 . 19 1 1 A 11 11 GLN HA H 11 4.500 4.576 -0.076 1
1 128 . 19 1 1 A 11 11 GLN C C 11 174.200 174.608 -0.408 1
1 129 . 19 1 1 A 11 11 GLN CA C 11 56.000 54.761 1.239 1
1 130 . 19 1 1 A 11 11 GLN CB C 11 29.400 30.367 -0.967 1
1 132 . 19 1 1 A 11 11 GLN N N 11 118.900 119.437 -0.537 1
1 134 . 19 1 1 A 12 12 THR H H 12 8.380 8.532 -0.152 1
1 135 . 19 1 1 A 12 12 THR HA H 12 5.330 5.095 0.235 1
1 140 . 19 1 1 A 12 12 THR C C 12 174.100 174.202 -0.102 1
1 141 . 19 1 1 A 12 12 THR CA C 12 62.100 61.968 0.132 1
1 142 . 19 1 1 A 12 12 THR CB C 12 69.600 70.439 -0.839 1
1 144 . 19 1 1 A 12 12 THR N N 12 116.600 117.324 -0.724 1
1 145 . 19 1 1 A 13 13 VAL H H 13 9.190 9.173 0.017 1
1 146 . 19 1 1 A 13 13 VAL HA H 13 5.140 5.410 -0.270 1
1 154 . 19 1 1 A 13 13 VAL C C 13 173.200 173.598 -0.398 1
1 155 . 19 1 1 A 13 13 VAL CA C 13 57.300 59.209 -1.909 1
1 156 . 19 1 1 A 13 13 VAL CB C 13 35.100 35.805 -0.705 1
1 159 . 19 1 1 A 13 13 VAL N N 13 117.500 120.322 -2.822 1
1 160 . 19 1 1 A 14 14 LYS H H 14 9.000 8.682 0.318 1
1 161 . 19 1 1 A 14 14 LYS HA H 14 5.350 5.134 0.216 1
1 170 . 19 1 1 A 14 14 LYS C C 14 176.900 175.173 1.727 1
1 171 . 19 1 1 A 14 14 LYS CA C 14 53.800 54.538 -0.738 1
1 172 . 19 1 1 A 14 14 LYS CB C 14 35.500 36.129 -0.629 1
1 176 . 19 1 1 A 14 14 LYS N N 14 120.300 121.290 -0.990 1
1 177 . 19 1 1 A 15 15 VAL H H 15 8.620 9.083 -0.463 1
1 178 . 19 1 1 A 15 15 VAL HA H 15 3.880 4.110 -0.230 1
1 186 . 19 1 1 A 15 15 VAL C C 15 176.700 176.864 -0.164 1
1 187 . 19 1 1 A 15 15 VAL CA C 15 64.300 63.512 0.788 1
1 188 . 19 1 1 A 15 15 VAL CB C 15 31.500 31.219 0.281 1
1 191 . 19 1 1 A 15 15 VAL N N 15 123.100 127.021 -3.921 1
1 192 . 19 1 1 A 16 16 VAL H H 16 9.580 9.240 0.340 1
1 193 . 19 1 1 A 16 16 VAL HA H 16 4.100 4.434 -0.334 1
1 201 . 19 1 1 A 16 16 VAL C C 16 175.300 175.663 -0.363 1
1 202 . 19 1 1 A 16 16 VAL CA C 16 63.400 62.142 1.258 1
1 203 . 19 1 1 A 16 16 VAL CB C 16 33.700 33.487 0.213 1
1 206 . 19 1 1 A 16 16 VAL N N 16 130.100 122.093 8.007 1
1 207 . 19 1 1 A 17 17 LYS H H 17 7.490 7.396 0.094 1
1 208 . 19 1 1 A 17 17 LYS HA H 17 4.380 4.865 -0.485 1
1 217 . 19 1 1 A 17 17 LYS C C 17 172.900 173.950 -1.050 1
1 218 . 19 1 1 A 17 17 LYS CA C 17 56.200 55.630 0.570 1
1 219 . 19 1 1 A 17 17 LYS CB C 17 35.500 35.797 -0.297 1
1 223 . 19 1 1 A 17 17 LYS N N 17 116.800 121.445 -4.645 1
1 224 . 19 1 1 A 18 18 LEU H H 18 8.520 8.953 -0.433 1
1 225 . 19 1 1 A 18 18 LEU HA H 18 4.890 4.863 0.027 1
1 235 . 19 1 1 A 18 18 LEU C C 18 175.600 175.974 -0.374 1
1 236 . 19 1 1 A 18 18 LEU CA C 18 53.800 53.456 0.344 1
1 237 . 19 1 1 A 18 18 LEU CB C 18 42.500 43.030 -0.530 1
1 241 . 19 1 1 A 18 18 LEU N N 18 124.100 126.999 -2.899 1
1 242 . 19 1 1 A 19 19 HIS H H 19 8.790 9.434 -0.644 1
1 243 . 19 1 1 A 19 19 HIS HA H 19 4.620 4.747 -0.127 1
1 248 . 19 1 1 A 19 19 HIS C C 19 173.000 175.078 -2.078 1
1 249 . 19 1 1 A 19 19 HIS CA C 19 55.500 55.171 0.329 1
1 250 . 19 1 1 A 19 19 HIS CB C 19 32.800 31.661 1.139 1
1 253 . 19 1 1 A 19 19 HIS N N 19 122.700 123.034 -0.334 1
1 254 . 19 1 1 A 20 20 GLY H H 20 8.100 8.533 -0.433 1
1 255 . 19 1 1 A 20 20 GLY HA2 H 20 3.920 4.100 -0.180 1
1 256 . 19 1 1 A 20 20 GLY HA3 H 20 4.510 4.104 0.406 1
1 257 . 19 1 1 A 20 20 GLY C C 20 174.500 173.984 0.516 1
1 258 . 19 1 1 A 20 20 GLY CA C 20 44.200 44.064 0.136 1
1 259 . 19 1 1 A 20 20 GLY N N 20 103.400 109.484 -6.084 1
1 260 . 19 1 1 A 21 21 THR H H 21 7.750 8.405 -0.655 1
1 261 . 19 1 1 A 21 21 THR HA H 21 4.450 4.243 0.207 1
1 266 . 19 1 1 A 21 21 THR C C 21 175.400 176.098 -0.698 1
1 267 . 19 1 1 A 21 21 THR CA C 21 60.800 64.114 -3.314 1
1 268 . 19 1 1 A 21 21 THR CB C 21 70.900 68.270 2.630 1
1 270 . 19 1 1 A 21 21 THR N N 21 108.600 112.808 -4.208 1
1 271 . 19 1 1 A 22 22 GLY H H 22 8.780 7.983 0.797 1
1 272 . 19 1 1 A 22 22 GLY HA2 H 22 3.750 4.070 -0.320 1
1 273 . 19 1 1 A 22 22 GLY HA3 H 22 4.030 4.070 -0.040 1
1 274 . 19 1 1 A 22 22 GLY C C 22 176.200 174.860 1.340 1
1 275 . 19 1 1 A 22 22 GLY CA C 22 47.300 46.151 1.149 1
1 276 . 19 1 1 A 22 22 GLY N N 22 108.600 110.385 -1.785 1
1 277 . 19 1 1 A 23 23 ALA H H 23 8.480 8.299 0.181 1
1 278 . 19 1 1 A 23 23 ALA HA H 23 4.080 4.037 0.043 1
1 282 . 19 1 1 A 23 23 ALA C C 23 180.100 180.125 -0.025 1
1 283 . 19 1 1 A 23 23 ALA CA C 23 54.700 54.600 0.100 1
1 284 . 19 1 1 A 23 23 ALA CB C 23 18.400 18.518 -0.118 1
1 285 . 19 1 1 A 23 23 ALA N N 23 123.300 124.576 -1.276 1
1 286 . 19 1 1 A 24 24 LEU H H 24 7.830 8.127 -0.297 1
1 287 . 19 1 1 A 24 24 LEU HA H 24 4.120 3.928 0.192 1
1 297 . 19 1 1 A 24 24 LEU C C 24 178.600 179.080 -0.480 1
1 298 . 19 1 1 A 24 24 LEU CA C 24 57.800 58.043 -0.243 1
1 299 . 19 1 1 A 24 24 LEU CB C 24 41.100 41.582 -0.482 1
1 303 . 19 1 1 A 24 24 LEU N N 24 120.400 119.410 0.990 1
1 304 . 19 1 1 A 25 25 LYS H H 25 7.960 8.269 -0.309 1
1 305 . 19 1 1 A 25 25 LYS HA H 25 3.750 3.837 -0.087 1
1 314 . 19 1 1 A 25 25 LYS C C 25 178.300 179.762 -1.462 1
1 315 . 19 1 1 A 25 25 LYS CA C 25 60.400 60.446 -0.046 1
1 316 . 19 1 1 A 25 25 LYS CB C 25 32.000 32.354 -0.354 1
1 320 . 19 1 1 A 25 25 LYS N N 25 118.000 116.876 1.124 1
1 321 . 19 1 1 A 26 26 ARG H H 26 7.890 8.286 -0.396 1
1 322 . 19 1 1 A 26 26 ARG HA H 26 3.970 4.109 -0.139 1
1 329 . 19 1 1 A 26 26 ARG C C 26 177.700 178.970 -1.270 1
1 330 . 19 1 1 A 26 26 ARG CA C 26 58.700 59.409 -0.709 1
1 331 . 19 1 1 A 26 26 ARG CB C 26 30.000 29.766 0.234 1
1 334 . 19 1 1 A 26 26 ARG N N 26 117.100 118.747 -1.647 1
1 335 . 19 1 1 A 27 27 ARG H H 27 7.660 8.123 -0.463 1
1 336 . 19 1 1 A 27 27 ARG HA H 27 4.100 4.067 0.033 1
1 343 . 19 1 1 A 27 27 ARG C C 27 179.000 178.906 0.094 1
1 344 . 19 1 1 A 27 27 ARG CA C 27 59.100 58.810 0.290 1
1 345 . 19 1 1 A 27 27 ARG CB C 27 29.800 29.866 -0.066 1
1 348 . 19 1 1 A 27 27 ARG N N 27 118.600 119.566 -0.966 1
1 349 . 19 1 1 A 28 28 ILE H H 28 7.970 7.628 0.342 1
1 350 . 19 1 1 A 28 28 ILE HA H 28 3.740 3.739 0.001 1
1 360 . 19 1 1 A 28 28 ILE C C 28 178.700 178.034 0.666 1
1 361 . 19 1 1 A 28 28 ILE CA C 28 64.800 65.171 -0.371 1
1 362 . 19 1 1 A 28 28 ILE CB C 28 38.100 38.094 0.006 1
1 366 . 19 1 1 A 28 28 ILE N N 28 119.400 119.964 -0.564 1
1 367 . 19 1 1 A 29 29 MET H H 29 8.420 8.834 -0.414 1
1 368 . 19 1 1 A 29 29 MET HA H 29 4.370 4.647 -0.277 1
1 376 . 19 1 1 A 29 29 MET C C 29 181.400 177.720 3.680 1
1 377 . 19 1 1 A 29 29 MET CA C 29 59.100 58.315 0.785 1
1 378 . 19 1 1 A 29 29 MET CB C 29 32.800 32.645 0.155 1
1 381 . 19 1 1 A 29 29 MET N N 29 119.900 119.685 0.215 1
1 382 . 19 1 1 A 30 30 ASP H H 30 8.650 8.582 0.068 1
1 383 . 19 1 1 A 30 30 ASP HA H 30 4.440 4.433 0.007 1
1 386 . 19 1 1 A 30 30 ASP C C 30 178.200 177.283 0.917 1
1 387 . 19 1 1 A 30 30 ASP CA C 30 56.700 56.492 0.208 1
1 388 . 19 1 1 A 30 30 ASP CB C 30 39.900 41.223 -1.323 1
1 389 . 19 1 1 A 30 30 ASP N N 30 121.800 120.876 0.924 1
1 390 . 19 1 1 A 31 31 MET H H 31 7.570 7.856 -0.286 1
1 391 . 19 1 1 A 31 31 MET HA H 31 4.290 4.450 -0.160 1
1 399 . 19 1 1 A 31 31 MET C C 31 175.700 176.485 -0.785 1
1 400 . 19 1 1 A 31 31 MET CA C 31 56.800 56.227 0.573 1
1 401 . 19 1 1 A 31 31 MET CB C 31 33.300 33.799 -0.499 1
1 404 . 19 1 1 A 31 31 MET N N 31 117.500 116.289 1.211 1
1 405 . 19 1 1 A 32 32 GLY H H 32 7.990 8.152 -0.162 1
1 406 . 19 1 1 A 32 32 GLY HA2 H 32 4.270 3.998 0.272 1
1 407 . 19 1 1 A 32 32 GLY HA3 H 32 3.630 4.001 -0.371 1
1 408 . 19 1 1 A 32 32 GLY C C 32 173.600 175.120 -1.520 1
1 409 . 19 1 1 A 32 32 GLY CA C 32 44.200 44.769 -0.569 1
1 410 . 19 1 1 A 32 32 GLY N N 32 104.400 106.623 -2.223 1
1 411 . 19 1 1 A 33 33 ILE H H 33 7.140 7.308 -0.168 1
1 412 . 19 1 1 A 33 33 ILE HA H 33 4.120 4.492 -0.372 1
1 422 . 19 1 1 A 33 33 ILE C C 33 172.400 175.981 -3.581 1
1 423 . 19 1 1 A 33 33 ILE CA C 33 61.700 60.266 1.434 1
1 424 . 19 1 1 A 33 33 ILE CB C 33 37.200 35.941 1.259 1
1 428 . 19 1 1 A 33 33 ILE N N 33 120.800 123.041 -2.241 1
1 429 . 19 1 1 A 34 34 THR H H 34 6.930 8.316 -1.386 1
1 430 . 19 1 1 A 34 34 THR HA H 34 4.590 4.567 0.023 1
1 435 . 19 1 1 A 34 34 THR C C 34 174.400 174.463 -0.063 1
1 436 . 19 1 1 A 34 34 THR CA C 34 58.300 61.047 -2.747 1
1 437 . 19 1 1 A 34 34 THR CB C 34 72.200 68.396 3.804 1
1 439 . 19 1 1 A 34 34 THR N N 34 113.300 116.754 -3.454 1
1 440 . 19 1 1 A 35 35 ARG H H 35 8.760 8.209 0.551 1
1 441 . 19 1 1 A 35 35 ARG HA H 35 3.520 4.015 -0.495 1
1 448 . 19 1 1 A 35 35 ARG C C 35 176.800 175.605 1.195 1
1 449 . 19 1 1 A 35 35 ARG CA C 35 58.700 56.930 1.770 1
1 450 . 19 1 1 A 35 35 ARG CB C 35 29.700 29.930 -0.230 1
1 453 . 19 1 1 A 35 35 ARG N N 35 121.300 121.273 0.027 1
1 454 . 19 1 1 A 36 36 GLY H H 36 8.950 9.069 -0.119 1
1 455 . 19 1 1 A 36 36 GLY HA2 H 36 4.460 3.888 0.572 1
1 456 . 19 1 1 A 36 36 GLY HA3 H 36 3.560 3.889 -0.329 1
1 457 . 19 1 1 A 36 36 GLY C C 36 173.900 173.959 -0.059 1
1 458 . 19 1 1 A 36 36 GLY CA C 36 44.700 45.487 -0.787 1
1 459 . 19 1 1 A 36 36 GLY N N 36 114.200 113.254 0.946 1
1 460 . 19 1 1 A 37 37 CYS H H 37 7.950 7.858 0.092 1
1 461 . 19 1 1 A 37 37 CYS HA H 37 4.550 4.852 -0.302 1
1 464 . 19 1 1 A 37 37 CYS C C 37 172.900 173.849 -0.949 1
1 465 . 19 1 1 A 37 37 CYS CA C 37 59.200 57.379 1.821 1
1 466 . 19 1 1 A 37 37 CYS CB C 37 28.000 29.559 -1.559 1
1 467 . 19 1 1 A 37 37 CYS N N 37 118.400 118.683 -0.283 1
1 468 . 19 1 1 A 38 38 GLU H H 38 8.540 8.662 -0.122 1
1 469 . 19 1 1 A 38 38 GLU HA H 38 5.160 4.591 0.569 1
1 474 . 19 1 1 A 38 38 GLU C C 38 176.000 175.932 0.068 1
1 475 . 19 1 1 A 38 38 GLU CA C 38 55.300 56.815 -1.515 1
1 476 . 19 1 1 A 38 38 GLU CB C 38 31.500 30.408 1.092 1
1 478 . 19 1 1 A 38 38 GLU N N 38 123.100 124.527 -1.427 1
1 479 . 19 1 1 A 39 39 ILE H H 39 9.360 9.883 -0.523 1
1 480 . 19 1 1 A 39 39 ILE HA H 39 4.600 4.605 -0.005 1
1 490 . 19 1 1 A 39 39 ILE C C 39 173.700 174.144 -0.444 1
1 491 . 19 1 1 A 39 39 ILE CA C 39 60.500 60.336 0.164 1
1 492 . 19 1 1 A 39 39 ILE CB C 39 41.300 39.950 1.350 1
1 496 . 19 1 1 A 39 39 ILE N N 39 124.000 123.818 0.182 1
1 497 . 19 1 1 A 40 40 TYR H H 40 8.540 8.893 -0.353 1
1 498 . 19 1 1 A 40 40 TYR HA H 40 5.340 4.830 0.510 1
1 505 . 19 1 1 A 40 40 TYR C C 40 175.000 174.162 0.838 1
1 506 . 19 1 1 A 40 40 TYR CA C 40 55.900 56.275 -0.375 1
1 507 . 19 1 1 A 40 40 TYR CB C 40 40.900 39.075 1.825 1
1 510 . 19 1 1 A 40 40 TYR N N 40 127.000 128.809 -1.809 1
1 511 . 19 1 1 A 41 41 ILE H H 41 7.850 8.410 -0.560 1
1 512 . 19 1 1 A 41 41 ILE HA H 41 3.910 4.034 -0.124 1
1 522 . 19 1 1 A 41 41 ILE C C 41 173.600 175.909 -2.309 1
1 523 . 19 1 1 A 41 41 ILE CA C 41 61.500 62.096 -0.596 1
1 524 . 19 1 1 A 41 41 ILE CB C 41 35.800 36.679 -0.879 1
1 528 . 19 1 1 A 41 41 ILE N N 41 127.800 128.859 -1.059 1
1 529 . 19 1 1 A 42 42 ARG H H 42 8.460 8.950 -0.490 1
1 530 . 19 1 1 A 42 42 ARG HA H 42 4.110 4.302 -0.192 1
1 537 . 19 1 1 A 42 42 ARG C C 42 176.500 175.403 1.097 1
1 538 . 19 1 1 A 42 42 ARG CA C 42 57.700 57.783 -0.083 1
1 539 . 19 1 1 A 42 42 ARG CB C 42 31.400 31.369 0.031 1
1 542 . 19 1 1 A 42 42 ARG N N 42 128.100 130.237 -2.137 1
1 543 . 19 1 1 A 43 43 LYS H H 43 7.920 7.752 0.168 1
1 544 . 19 1 1 A 43 43 LYS HA H 43 4.530 4.768 -0.238 1
1 553 . 19 1 1 A 43 43 LYS C C 43 173.100 173.934 -0.834 1
1 554 . 19 1 1 A 43 43 LYS CA C 43 56.400 55.957 0.443 1
1 555 . 19 1 1 A 43 43 LYS CB C 43 36.100 35.951 0.149 1
1 559 . 19 1 1 A 43 43 LYS N N 43 116.400 118.544 -2.144 1
1 560 . 19 1 1 A 44 44 VAL H H 44 8.450 8.860 -0.410 1
1 561 . 19 1 1 A 44 44 VAL HA H 44 4.260 4.625 -0.365 1
1 569 . 19 1 1 A 44 44 VAL C C 44 175.000 175.339 -0.339 1
1 570 . 19 1 1 A 44 44 VAL CA C 44 61.500 61.005 0.495 1
1 571 . 19 1 1 A 44 44 VAL CB C 44 34.200 33.695 0.505 1
1 574 . 19 1 1 A 44 44 VAL N N 44 123.900 126.169 -2.269 1
1 575 . 19 1 1 A 45 45 ALA H H 45 7.550 8.130 -0.580 1
1 576 . 19 1 1 A 45 45 ALA HA H 45 4.480 4.490 -0.010 1
1 580 . 19 1 1 A 45 45 ALA CA C 45 51.500 50.603 0.897 1
1 581 . 19 1 1 A 45 45 ALA CB C 45 17.600 17.845 -0.245 1
1 582 . 19 1 1 A 45 45 ALA N N 45 129.600 130.691 -1.091 1
1 583 . 19 1 1 A 46 46 PRO HA H 46 4.290 4.394 -0.104 1
1 590 . 19 1 1 A 46 46 PRO C C 46 177.800 177.851 -0.051 1
1 591 . 19 1 1 A 46 46 PRO CA C 46 65.500 64.470 1.030 1
1 592 . 19 1 1 A 46 46 PRO CB C 46 31.600 31.815 -0.215 1
1 595 . 19 1 1 A 47 47 LEU H H 47 8.330 7.780 0.550 1
1 596 . 19 1 1 A 47 47 LEU HA H 47 4.330 4.335 -0.005 1
1 606 . 19 1 1 A 47 47 LEU C C 47 178.000 177.236 0.764 1
1 607 . 19 1 1 A 47 47 LEU CA C 47 55.300 55.038 0.262 1
1 608 . 19 1 1 A 47 47 LEU CB C 47 40.300 42.327 -2.027 1
1 612 . 19 1 1 A 47 47 LEU N N 47 115.100 116.905 -1.805 1
1 613 . 19 1 1 A 48 48 GLY H H 48 8.420 9.269 -0.849 1
1 614 . 19 1 1 A 48 48 GLY HA2 H 48 4.090 3.972 0.118 1
1 615 . 19 1 1 A 48 48 GLY HA3 H 48 3.490 3.973 -0.483 1
1 616 . 19 1 1 A 48 48 GLY C C 48 171.900 173.107 -1.207 1
1 617 . 19 1 1 A 48 48 GLY CA C 48 45.500 45.317 0.183 1
1 618 . 19 1 1 A 48 48 GLY N N 48 107.400 106.079 1.321 1
1 619 . 19 1 1 A 49 49 ASP H H 49 6.850 7.727 -0.877 1
1 620 . 19 1 1 A 49 49 ASP HA H 49 5.050 5.125 -0.075 1
1 623 . 19 1 1 A 49 49 ASP CA C 49 50.200 51.918 -1.718 1
1 624 . 19 1 1 A 49 49 ASP CB C 49 45.300 42.468 2.832 1
1 625 . 19 1 1 A 49 49 ASP N N 49 116.000 116.043 -0.043 1
1 626 . 19 1 1 A 50 50 PRO HA H 50 5.450 4.661 0.789 1
1 633 . 19 1 1 A 50 50 PRO C C 50 174.900 175.428 -0.528 1
1 634 . 19 1 1 A 50 50 PRO CA C 50 63.900 62.476 1.424 1
1 635 . 19 1 1 A 50 50 PRO CB C 50 35.600 32.468 3.132 1
1 638 . 19 1 1 A 51 51 ILE H H 51 8.980 8.935 0.045 1
1 639 . 19 1 1 A 51 51 ILE HA H 51 4.400 4.364 0.036 1
1 649 . 19 1 1 A 51 51 ILE C C 51 174.500 174.608 -0.108 1
1 650 . 19 1 1 A 51 51 ILE CA C 51 61.100 60.428 0.672 1
1 651 . 19 1 1 A 51 51 ILE CB C 51 40.900 38.055 2.845 1
1 655 . 19 1 1 A 51 51 ILE N N 51 118.100 122.573 -4.473 1
1 656 . 19 1 1 A 52 52 GLN H H 52 9.060 9.165 -0.105 1
1 657 . 19 1 1 A 52 52 GLN HA H 52 5.160 4.774 0.386 1
1 664 . 19 1 1 A 52 52 GLN C C 52 175.800 175.907 -0.107 1
1 665 . 19 1 1 A 52 52 GLN CA C 52 54.900 55.225 -0.325 1
1 666 . 19 1 1 A 52 52 GLN CB C 52 29.600 29.665 -0.065 1
1 668 . 19 1 1 A 52 52 GLN N N 52 126.100 127.683 -1.583 1
1 670 . 19 1 1 A 53 53 ILE H H 53 9.080 8.913 0.167 1
1 671 . 19 1 1 A 53 53 ILE HA H 53 5.440 5.054 0.386 1
1 681 . 19 1 1 A 53 53 ILE C C 53 174.000 174.181 -0.181 1
1 682 . 19 1 1 A 53 53 ILE CA C 53 58.700 58.846 -0.146 1
1 683 . 19 1 1 A 53 53 ILE CB C 53 41.500 41.333 0.167 1
1 687 . 19 1 1 A 53 53 ILE N N 53 117.600 121.407 -3.807 1
1 688 . 19 1 1 A 54 54 ASN H H 54 9.360 9.630 -0.270 1
1 689 . 19 1 1 A 54 54 ASN HA H 54 5.840 5.800 0.040 1
1 694 . 19 1 1 A 54 54 ASN C C 54 174.800 174.530 0.270 1
1 695 . 19 1 1 A 54 54 ASN CA C 54 52.300 52.849 -0.549 1
1 696 . 19 1 1 A 54 54 ASN CB C 54 42.200 39.556 2.644 1
1 697 . 19 1 1 A 54 54 ASN N N 54 120.100 120.683 -0.583 1
1 699 . 19 1 1 A 55 55 VAL H H 55 8.900 8.849 0.051 1
1 700 . 19 1 1 A 55 55 VAL HA H 55 4.480 4.545 -0.065 1
1 708 . 19 1 1 A 55 55 VAL C C 55 174.400 175.896 -1.496 1
1 709 . 19 1 1 A 55 55 VAL CA C 55 60.800 61.216 -0.416 1
1 710 . 19 1 1 A 55 55 VAL CB C 55 34.300 33.626 0.674 1
1 713 . 19 1 1 A 55 55 VAL N N 55 124.400 124.848 -0.448 1
1 714 . 19 1 1 A 56 56 ARG H H 56 9.680 9.586 0.094 1
1 715 . 19 1 1 A 56 56 ARG HA H 56 3.880 4.049 -0.169 1
1 722 . 19 1 1 A 56 56 ARG C C 56 175.000 176.269 -1.269 1
1 723 . 19 1 1 A 56 56 ARG CA C 56 57.200 57.382 -0.182 1
1 724 . 19 1 1 A 56 56 ARG CB C 56 28.400 28.396 0.004 1
1 727 . 19 1 1 A 56 56 ARG N N 56 125.100 128.766 -3.666 1
1 728 . 19 1 1 A 57 57 GLY H H 57 8.130 8.415 -0.285 1
1 729 . 19 1 1 A 57 57 GLY HA2 H 57 4.130 3.751 0.379 1
1 730 . 19 1 1 A 57 57 GLY HA3 H 57 3.610 3.809 -0.199 1
1 731 . 19 1 1 A 57 57 GLY C C 57 174.300 173.564 0.736 1
1 732 . 19 1 1 A 57 57 GLY CA C 57 45.300 45.004 0.296 1
1 733 . 19 1 1 A 57 57 GLY N N 57 103.500 105.638 -2.138 1
1 734 . 19 1 1 A 58 58 TYR H H 58 8.180 8.162 0.018 1
1 735 . 19 1 1 A 58 58 TYR HA H 58 4.750 4.578 0.172 1
1 742 . 19 1 1 A 58 58 TYR C C 58 174.500 175.523 -1.023 1
1 743 . 19 1 1 A 58 58 TYR CA C 58 56.600 57.906 -1.306 1
1 744 . 19 1 1 A 58 58 TYR CB C 58 39.500 40.124 -0.624 1
1 747 . 19 1 1 A 58 58 TYR N N 58 121.300 119.603 1.697 1
1 748 . 19 1 1 A 59 59 GLU H H 59 8.480 8.846 -0.366 1
1 749 . 19 1 1 A 59 59 GLU HA H 59 5.120 4.940 0.180 1
1 754 . 19 1 1 A 59 59 GLU C C 59 178.400 176.029 2.371 1
1 755 . 19 1 1 A 59 59 GLU CA C 59 55.200 56.068 -0.868 1
1 756 . 19 1 1 A 59 59 GLU CB C 59 30.400 30.512 -0.112 1
1 758 . 19 1 1 A 59 59 GLU N N 59 122.400 122.176 0.224 1
1 759 . 19 1 1 A 60 60 LEU H H 60 8.900 8.840 0.060 1
1 760 . 19 1 1 A 60 60 LEU HA H 60 4.830 5.244 -0.414 1
1 770 . 19 1 1 A 60 60 LEU C C 60 175.100 175.190 -0.090 1
1 771 . 19 1 1 A 60 60 LEU CA C 60 53.800 52.923 0.877 1
1 772 . 19 1 1 A 60 60 LEU CB C 60 46.200 46.424 -0.224 1
1 776 . 19 1 1 A 60 60 LEU N N 60 124.600 121.756 2.844 1
1 777 . 19 1 1 A 61 61 SER H H 61 8.390 8.829 -0.439 1
1 778 . 19 1 1 A 61 61 SER HA H 61 5.150 5.061 0.089 1
1 781 . 19 1 1 A 61 61 SER C C 61 173.300 173.849 -0.549 1
1 782 . 19 1 1 A 61 61 SER CA C 61 56.600 57.812 -1.212 1
1 783 . 19 1 1 A 61 61 SER CB C 61 63.900 64.658 -0.758 1
1 784 . 19 1 1 A 61 61 SER N N 61 116.100 116.999 -0.899 1
1 785 . 19 1 1 A 62 62 LEU H H 62 9.190 8.994 0.196 1
1 786 . 19 1 1 A 62 62 LEU HA H 62 4.700 5.067 -0.367 1
1 796 . 19 1 1 A 62 62 LEU C C 62 175.800 176.502 -0.702 1
1 797 . 19 1 1 A 62 62 LEU CA C 62 53.000 53.396 -0.396 1
1 798 . 19 1 1 A 62 62 LEU CB C 62 45.900 44.709 1.191 1
1 802 . 19 1 1 A 62 62 LEU N N 62 126.800 125.919 0.881 1
1 803 . 19 1 1 A 63 63 ARG H H 63 8.670 8.961 -0.291 1
1 804 . 19 1 1 A 63 63 ARG HA H 63 4.640 4.549 0.091 1
1 811 . 19 1 1 A 63 63 ARG C C 63 176.000 177.755 -1.755 1
1 812 . 19 1 1 A 63 63 ARG CA C 63 53.700 55.737 -2.037 1
1 813 . 19 1 1 A 63 63 ARG CB C 63 29.100 31.230 -2.130 1
1 816 . 19 1 1 A 63 63 ARG N N 63 120.600 121.832 -1.232 1
1 817 . 19 1 1 A 64 64 LYS H H 64 8.900 8.698 0.202 1
1 818 . 19 1 1 A 64 64 LYS HA H 64 3.800 4.026 -0.226 1
1 827 . 19 1 1 A 64 64 LYS C C 64 177.100 178.439 -1.339 1
1 828 . 19 1 1 A 64 64 LYS CA C 64 60.200 58.996 1.204 1
1 829 . 19 1 1 A 64 64 LYS CB C 64 32.300 32.085 0.215 1
1 833 . 19 1 1 A 64 64 LYS N N 64 124.600 122.431 2.169 1
1 834 . 19 1 1 A 65 65 SER H H 65 8.380 8.034 0.346 1
1 835 . 19 1 1 A 65 65 SER HA H 65 4.130 4.164 -0.034 1
1 838 . 19 1 1 A 65 65 SER C C 65 176.000 176.380 -0.380 1
1 839 . 19 1 1 A 65 65 SER CA C 65 60.300 61.708 -1.408 1
1 840 . 19 1 1 A 65 65 SER CB C 65 61.900 63.186 -1.286 1
1 841 . 19 1 1 A 65 65 SER N N 65 110.900 117.461 -6.561 1
1 842 . 19 1 1 A 66 66 ALA H H 66 6.910 7.973 -1.063 1
1 843 . 19 1 1 A 66 66 ALA HA H 66 4.290 4.145 0.145 1
1 847 . 19 1 1 A 66 66 ALA C C 66 178.800 179.323 -0.523 1
1 848 . 19 1 1 A 66 66 ALA CA C 66 54.000 54.897 -0.897 1
1 849 . 19 1 1 A 66 66 ALA CB C 66 18.800 18.396 0.404 1
1 850 . 19 1 1 A 66 66 ALA N N 66 122.600 123.764 -1.164 1
1 851 . 19 1 1 A 67 67 ALA H H 67 8.050 8.352 -0.302 1
1 852 . 19 1 1 A 67 67 ALA HA H 67 3.850 3.948 -0.098 1
1 856 . 19 1 1 A 67 67 ALA C C 67 178.800 180.081 -1.281 1
1 857 . 19 1 1 A 67 67 ALA CA C 67 54.900 55.343 -0.443 1
1 858 . 19 1 1 A 67 67 ALA CB C 67 18.700 17.996 0.704 1
1 859 . 19 1 1 A 67 67 ALA N N 67 118.800 120.338 -1.538 1
1 860 . 19 1 1 A 68 68 GLU H H 68 7.910 7.505 0.405 1
1 861 . 19 1 1 A 68 68 GLU HA H 68 4.150 4.446 -0.296 1
1 866 . 19 1 1 A 68 68 GLU C C 68 175.900 178.229 -2.329 1
1 867 . 19 1 1 A 68 68 GLU CA C 68 57.200 58.695 -1.495 1
1 868 . 19 1 1 A 68 68 GLU CB C 68 29.800 29.427 0.373 1
1 870 . 19 1 1 A 68 68 GLU N N 68 113.100 118.703 -5.603 1
1 871 . 19 1 1 A 69 69 MET H H 69 7.360 7.739 -0.379 1
1 872 . 19 1 1 A 69 69 MET HA H 69 4.590 4.615 -0.025 1
1 880 . 19 1 1 A 69 69 MET C C 69 174.400 175.492 -1.092 1
1 881 . 19 1 1 A 69 69 MET CA C 69 53.800 56.287 -2.487 1
1 882 . 19 1 1 A 69 69 MET CB C 69 32.400 32.462 -0.062 1
1 885 . 19 1 1 A 69 69 MET N N 69 114.100 116.623 -2.523 1
1 886 . 19 1 1 A 70 70 ILE H H 70 7.310 7.472 -0.162 1
1 887 . 19 1 1 A 70 70 ILE HA H 70 4.260 4.346 -0.086 1
1 897 . 19 1 1 A 70 70 ILE C C 70 174.100 174.773 -0.673 1
1 898 . 19 1 1 A 70 70 ILE CA C 70 60.900 61.025 -0.125 1
1 899 . 19 1 1 A 70 70 ILE CB C 70 38.700 37.789 0.911 1
1 903 . 19 1 1 A 70 70 ILE N N 70 120.300 118.859 1.441 1
1 904 . 19 1 1 A 71 71 GLU H H 71 8.910 8.987 -0.077 1
1 905 . 19 1 1 A 71 71 GLU HA H 71 4.750 4.737 0.013 1
1 910 . 19 1 1 A 71 71 GLU C C 71 177.100 176.633 0.467 1
1 911 . 19 1 1 A 71 71 GLU CA C 71 55.900 56.400 -0.500 1
1 912 . 19 1 1 A 71 71 GLU CB C 71 30.600 30.468 0.132 1
1 914 . 19 1 1 A 71 71 GLU N N 71 129.500 128.611 0.889 1
1 915 . 19 1 1 A 72 72 VAL H H 72 8.880 8.455 0.425 1
1 916 . 19 1 1 A 72 72 VAL HA H 72 5.520 5.545 -0.025 1
1 924 . 19 1 1 A 72 72 VAL C C 72 173.200 174.089 -0.889 1
1 925 . 19 1 1 A 72 72 VAL CA C 72 58.500 59.109 -0.609 1
1 926 . 19 1 1 A 72 72 VAL CB C 72 36.200 35.944 0.256 1
1 929 . 19 1 1 A 72 72 VAL N N 72 119.400 120.520 -1.120 1
1 930 . 19 1 1 A 73 73 GLU H H 73 8.720 8.316 0.404 1
1 931 . 19 1 1 A 73 73 GLU HA H 73 4.750 5.045 -0.295 1
1 936 . 19 1 1 A 73 73 GLU C C 73 175.300 174.888 0.412 1
1 937 . 19 1 1 A 73 73 GLU CA C 73 54.000 55.345 -1.345 1
1 938 . 19 1 1 A 73 73 GLU CB C 73 33.300 34.122 -0.822 1
1 940 . 19 1 1 A 73 73 GLU N N 73 116.600 121.215 -4.615 1
1 941 . 19 1 1 A 74 74 LEU H H 74 8.780 9.048 -0.268 1
1 942 . 19 1 1 A 74 74 LEU HA H 74 4.330 4.595 -0.265 1
1 952 . 19 1 1 A 74 74 LEU C C 74 176.400 178.271 -1.871 1
1 953 . 19 1 1 A 74 74 LEU CA C 74 55.400 54.784 0.616 1
1 954 . 19 1 1 A 74 74 LEU CB C 74 42.600 42.459 0.141 1
1 958 . 19 1 1 A 74 74 LEU N N 74 124.100 127.936 -3.836 1
1 959 . 19 1 1 A 75 75 GLU H H 75 8.450 8.680 -0.230 1
1 960 . 19 1 1 A 75 75 GLU HA H 75 4.350 4.061 0.289 1
1 965 . 19 1 1 A 75 75 GLU C C 75 175.700 175.583 0.117 1
1 966 . 19 1 1 A 75 75 GLU CA C 75 55.800 57.669 -1.869 1
1 967 . 19 1 1 A 75 75 GLU CB C 75 30.500 29.461 1.039 1
1 969 . 19 1 1 A 75 75 GLU N N 75 123.500 120.704 2.796 1
1 970 . 19 1 1 A 76 76 HIS H H 76 8.500 7.857 0.643 1
1 971 . 19 1 1 A 76 76 HIS HA H 76 4.590 4.862 -0.272 1
1 976 . 19 1 1 A 76 76 HIS C C 76 173.800 173.634 0.166 1
1 977 . 19 1 1 A 76 76 HIS CA C 76 55.700 54.182 1.518 1
1 978 . 19 1 1 A 76 76 HIS CB C 76 30.200 30.053 0.147 1
1 981 . 19 1 1 A 76 76 HIS N N 76 120.800 121.218 -0.418 1
1 982 . 19 1 1 A 77 77 HIS H H 77 8.100 9.033 -0.933 1
1 983 . 19 1 1 A 77 77 HIS HA H 77 4.610 4.997 -0.387 1
1 988 . 19 1 1 A 77 77 HIS C C 77 180.000 174.333 5.667 1
1 989 . 19 1 1 A 77 77 HIS CA C 77 56.400 54.363 2.037 1
1 990 . 19 1 1 A 77 77 HIS CB C 77 29.900 33.732 -3.832 1
1 993 . 19 1 1 A 77 77 HIS N N 77 125.100 125.555 -0.455 1
1 994 . 19 1 1 A 78 78 HIS H H 78 8.250 8.810 -0.560 1
1 995 . 19 1 1 A 78 78 HIS HA H 78 4.620 4.916 -0.296 1
1 1000 . 19 1 1 A 78 78 HIS C C 78 180.000 175.641 4.359 1
1 1001 . 19 1 1 A 78 78 HIS CA C 78 56.400 54.536 1.864 1
1 1002 . 19 1 1 A 78 78 HIS CB C 78 29.900 32.306 -2.406 1
1 1005 . 19 1 1 A 78 78 HIS N N 78 119.400 119.062 0.338 1
1 1006 . 19 1 1 A 79 79 HIS H H 79 8.250 9.075 -0.825 1
1 1007 . 19 1 1 A 79 79 HIS HA H 79 4.620 4.305 0.315 1
1 1012 . 19 1 1 A 79 79 HIS C C 79 180.000 174.115 5.885 1
1 1013 . 19 1 1 A 79 79 HIS CA C 79 56.400 57.279 -0.879 1
1 1014 . 19 1 1 A 79 79 HIS CB C 79 29.900 29.415 0.485 1
1 1017 . 19 1 1 A 79 79 HIS N N 79 119.400 121.580 -2.180 1
1 1018 . 19 1 1 A 80 80 HIS H H 80 8.250 7.872 0.378 1
1 1019 . 19 1 1 A 80 80 HIS HA H 80 4.620 4.858 -0.238 1
1 1024 . 19 1 1 A 80 80 HIS C C 80 180.000 173.345 6.655 1
1 1025 . 19 1 1 A 80 80 HIS CA C 80 56.400 55.626 0.774 1
1 1026 . 19 1 1 A 80 80 HIS CB C 80 29.900 32.206 -2.306 1
1 1029 . 19 1 1 A 80 80 HIS N N 80 119.400 118.891 0.509 1
1 16 . 20 1 1 A 2 2 PHE H H 2 9.360 9.086 0.274 1
1 17 . 20 1 1 A 2 2 PHE HA H 2 4.960 5.310 -0.350 1
1 25 . 20 1 1 A 2 2 PHE C C 2 173.300 173.939 -0.639 1
1 26 . 20 1 1 A 2 2 PHE CA C 2 56.400 55.598 0.802 1
1 27 . 20 1 1 A 2 2 PHE CB C 2 38.500 41.203 -2.703 1
1 31 . 20 1 1 A 2 2 PHE N N 2 127.300 129.001 -1.701 1
1 32 . 20 1 1 A 3 3 SER H H 3 9.150 8.147 1.003 1
1 33 . 20 1 1 A 3 3 SER HA H 3 5.590 4.476 1.114 1
1 36 . 20 1 1 A 3 3 SER C C 3 176.100 175.321 0.779 1
1 37 . 20 1 1 A 3 3 SER CA C 3 56.500 57.473 -0.973 1
1 38 . 20 1 1 A 3 3 SER CB C 3 68.100 64.900 3.200 1
1 39 . 20 1 1 A 3 3 SER N N 3 124.000 124.034 -0.034 1
1 40 . 20 1 1 A 4 4 LEU H H 4 8.540 8.243 0.297 1
1 41 . 20 1 1 A 4 4 LEU HA H 4 3.770 3.924 -0.154 1
1 51 . 20 1 1 A 4 4 LEU C C 4 177.200 177.715 -0.515 1
1 52 . 20 1 1 A 4 4 LEU CA C 4 57.300 58.341 -1.041 1
1 53 . 20 1 1 A 4 4 LEU CB C 4 41.600 40.997 0.603 1
1 57 . 20 1 1 A 4 4 LEU N N 4 120.800 127.751 -6.951 1
1 58 . 20 1 1 A 5 5 ARG H H 5 7.150 8.435 -1.285 1
1 59 . 20 1 1 A 5 5 ARG HA H 5 3.830 3.929 -0.099 1
1 66 . 20 1 1 A 5 5 ARG C C 5 175.900 176.850 -0.950 1
1 67 . 20 1 1 A 5 5 ARG CA C 5 57.300 58.937 -1.637 1
1 68 . 20 1 1 A 5 5 ARG CB C 5 29.400 29.792 -0.392 1
1 71 . 20 1 1 A 5 5 ARG N N 5 115.100 119.540 -4.440 1
1 72 . 20 1 1 A 6 6 ASP H H 6 7.600 7.452 0.148 1
1 73 . 20 1 1 A 6 6 ASP HA H 6 4.490 4.623 -0.133 1
1 76 . 20 1 1 A 6 6 ASP C C 6 175.700 175.635 0.065 1
1 77 . 20 1 1 A 6 6 ASP CA C 6 54.700 53.966 0.734 1
1 78 . 20 1 1 A 6 6 ASP CB C 6 42.000 41.674 0.326 1
1 79 . 20 1 1 A 6 6 ASP N N 6 117.000 116.486 0.514 1
1 80 . 20 1 1 A 7 7 ALA H H 7 6.990 7.671 -0.681 1
1 81 . 20 1 1 A 7 7 ALA HA H 7 4.390 4.429 -0.039 1
1 85 . 20 1 1 A 7 7 ALA C C 7 175.300 177.246 -1.946 1
1 86 . 20 1 1 A 7 7 ALA CA C 7 51.600 52.573 -0.973 1
1 87 . 20 1 1 A 7 7 ALA CB C 7 19.500 19.356 0.144 1
1 88 . 20 1 1 A 7 7 ALA N N 7 122.200 123.144 -0.944 1
1 89 . 20 1 1 A 8 8 LYS H H 8 8.270 9.304 -1.034 1
1 90 . 20 1 1 A 8 8 LYS HA H 8 4.480 4.613 -0.133 1
1 99 . 20 1 1 A 8 8 LYS C C 8 175.600 177.850 -2.250 1
1 100 . 20 1 1 A 8 8 LYS CA C 8 53.800 54.794 -0.994 1
1 101 . 20 1 1 A 8 8 LYS CB C 8 34.600 34.225 0.375 1
1 105 . 20 1 1 A 8 8 LYS N N 8 118.500 120.443 -1.943 1
1 106 . 20 1 1 A 9 9 CYS H H 9 8.400 8.679 -0.279 1
1 107 . 20 1 1 A 9 9 CYS HA H 9 3.630 4.272 -0.642 1
1 110 . 20 1 1 A 9 9 CYS C C 9 175.700 175.408 0.292 1
1 111 . 20 1 1 A 9 9 CYS CA C 9 60.300 58.909 1.391 1
1 112 . 20 1 1 A 9 9 CYS CB C 9 26.700 26.427 0.273 1
1 113 . 20 1 1 A 9 9 CYS N N 9 117.100 119.922 -2.822 1
1 114 . 20 1 1 A 10 10 GLY H H 10 8.950 7.655 1.295 1
1 115 . 20 1 1 A 10 10 GLY HA2 H 10 3.790 4.119 -0.329 1
1 116 . 20 1 1 A 10 10 GLY HA3 H 10 4.350 4.134 0.216 1
1 117 . 20 1 1 A 10 10 GLY C C 10 174.600 173.284 1.316 1
1 118 . 20 1 1 A 10 10 GLY CA C 10 44.600 45.624 -1.024 1
1 119 . 20 1 1 A 10 10 GLY N N 10 114.200 108.025 6.175 1
1 120 . 20 1 1 A 11 11 GLN H H 11 7.750 7.407 0.343 1
1 121 . 20 1 1 A 11 11 GLN HA H 11 4.500 4.933 -0.433 1
1 128 . 20 1 1 A 11 11 GLN C C 11 174.200 174.926 -0.726 1
1 129 . 20 1 1 A 11 11 GLN CA C 11 56.000 54.095 1.905 1
1 130 . 20 1 1 A 11 11 GLN CB C 11 29.400 32.102 -2.702 1
1 132 . 20 1 1 A 11 11 GLN N N 11 118.900 119.059 -0.159 1
1 134 . 20 1 1 A 12 12 THR H H 12 8.380 8.803 -0.423 1
1 135 . 20 1 1 A 12 12 THR HA H 12 5.330 4.787 0.543 1
1 140 . 20 1 1 A 12 12 THR C C 12 174.100 174.603 -0.503 1
1 141 . 20 1 1 A 12 12 THR CA C 12 62.100 62.534 -0.434 1
1 142 . 20 1 1 A 12 12 THR CB C 12 69.600 69.284 0.316 1
1 144 . 20 1 1 A 12 12 THR N N 12 116.600 118.330 -1.730 1
1 145 . 20 1 1 A 13 13 VAL H H 13 9.190 9.506 -0.316 1
1 146 . 20 1 1 A 13 13 VAL HA H 13 5.140 5.042 0.098 1
1 154 . 20 1 1 A 13 13 VAL C C 13 173.200 173.908 -0.708 1
1 155 . 20 1 1 A 13 13 VAL CA C 13 57.300 58.882 -1.582 1
1 156 . 20 1 1 A 13 13 VAL CB C 13 35.100 34.483 0.617 1
1 159 . 20 1 1 A 13 13 VAL N N 13 117.500 122.613 -5.113 1
1 160 . 20 1 1 A 14 14 LYS H H 14 9.000 9.132 -0.132 1
1 161 . 20 1 1 A 14 14 LYS HA H 14 5.350 5.326 0.024 1
1 170 . 20 1 1 A 14 14 LYS C C 14 176.900 175.544 1.356 1
1 171 . 20 1 1 A 14 14 LYS CA C 14 53.800 54.472 -0.672 1
1 172 . 20 1 1 A 14 14 LYS CB C 14 35.500 35.770 -0.270 1
1 176 . 20 1 1 A 14 14 LYS N N 14 120.300 122.810 -2.510 1
1 177 . 20 1 1 A 15 15 VAL H H 15 8.620 8.812 -0.192 1
1 178 . 20 1 1 A 15 15 VAL HA H 15 3.880 4.003 -0.123 1
1 186 . 20 1 1 A 15 15 VAL C C 15 176.700 176.865 -0.165 1
1 187 . 20 1 1 A 15 15 VAL CA C 15 64.300 63.511 0.789 1
1 188 . 20 1 1 A 15 15 VAL CB C 15 31.500 31.868 -0.368 1
1 191 . 20 1 1 A 15 15 VAL N N 15 123.100 127.391 -4.291 1
1 192 . 20 1 1 A 16 16 VAL H H 16 9.580 9.123 0.457 1
1 193 . 20 1 1 A 16 16 VAL HA H 16 4.100 4.419 -0.319 1
1 201 . 20 1 1 A 16 16 VAL C C 16 175.300 175.775 -0.475 1
1 202 . 20 1 1 A 16 16 VAL CA C 16 63.400 62.236 1.164 1
1 203 . 20 1 1 A 16 16 VAL CB C 16 33.700 33.428 0.272 1
1 206 . 20 1 1 A 16 16 VAL N N 16 130.100 121.073 9.027 1
1 207 . 20 1 1 A 17 17 LYS H H 17 7.490 7.754 -0.264 1
1 208 . 20 1 1 A 17 17 LYS HA H 17 4.380 4.914 -0.534 1
1 217 . 20 1 1 A 17 17 LYS C C 17 172.900 173.932 -1.032 1
1 218 . 20 1 1 A 17 17 LYS CA C 17 56.200 55.518 0.682 1
1 219 . 20 1 1 A 17 17 LYS CB C 17 35.500 36.141 -0.641 1
1 223 . 20 1 1 A 17 17 LYS N N 17 116.800 121.319 -4.519 1
1 224 . 20 1 1 A 18 18 LEU H H 18 8.520 8.823 -0.303 1
1 225 . 20 1 1 A 18 18 LEU HA H 18 4.890 4.877 0.013 1
1 235 . 20 1 1 A 18 18 LEU C C 18 175.600 175.982 -0.382 1
1 236 . 20 1 1 A 18 18 LEU CA C 18 53.800 53.179 0.621 1
1 237 . 20 1 1 A 18 18 LEU CB C 18 42.500 44.042 -1.542 1
1 241 . 20 1 1 A 18 18 LEU N N 18 124.100 125.038 -0.938 1
1 242 . 20 1 1 A 19 19 HIS H H 19 8.790 8.965 -0.175 1
1 243 . 20 1 1 A 19 19 HIS HA H 19 4.620 4.761 -0.141 1
1 248 . 20 1 1 A 19 19 HIS C C 19 173.000 174.874 -1.874 1
1 249 . 20 1 1 A 19 19 HIS CA C 19 55.500 55.277 0.223 1
1 250 . 20 1 1 A 19 19 HIS CB C 19 32.800 31.695 1.105 1
1 253 . 20 1 1 A 19 19 HIS N N 19 122.700 123.330 -0.630 1
1 254 . 20 1 1 A 20 20 GLY H H 20 8.100 8.564 -0.464 1
1 255 . 20 1 1 A 20 20 GLY HA2 H 20 3.920 4.109 -0.189 1
1 256 . 20 1 1 A 20 20 GLY HA3 H 20 4.510 4.112 0.398 1
1 257 . 20 1 1 A 20 20 GLY C C 20 174.500 173.572 0.928 1
1 258 . 20 1 1 A 20 20 GLY CA C 20 44.200 44.213 -0.013 1
1 259 . 20 1 1 A 20 20 GLY N N 20 103.400 109.144 -5.744 1
1 260 . 20 1 1 A 21 21 THR H H 21 7.750 8.661 -0.911 1
1 261 . 20 1 1 A 21 21 THR HA H 21 4.450 4.426 0.024 1
1 266 . 20 1 1 A 21 21 THR C C 21 175.400 174.572 0.828 1
1 267 . 20 1 1 A 21 21 THR CA C 21 60.800 61.898 -1.098 1
1 268 . 20 1 1 A 21 21 THR CB C 21 70.900 68.814 2.086 1
1 270 . 20 1 1 A 21 21 THR N N 21 108.600 114.137 -5.537 1
1 271 . 20 1 1 A 22 22 GLY H H 22 8.780 7.906 0.874 1
1 272 . 20 1 1 A 22 22 GLY HA2 H 22 3.750 3.969 -0.219 1
1 273 . 20 1 1 A 22 22 GLY HA3 H 22 4.030 3.972 0.058 1
1 274 . 20 1 1 A 22 22 GLY C C 22 176.200 175.602 0.598 1
1 275 . 20 1 1 A 22 22 GLY CA C 22 47.300 45.871 1.429 1
1 276 . 20 1 1 A 22 22 GLY N N 22 108.600 109.440 -0.840 1
1 277 . 20 1 1 A 23 23 ALA H H 23 8.480 8.345 0.135 1
1 278 . 20 1 1 A 23 23 ALA HA H 23 4.080 3.970 0.110 1
1 282 . 20 1 1 A 23 23 ALA C C 23 180.100 179.000 1.100 1
1 283 . 20 1 1 A 23 23 ALA CA C 23 54.700 54.709 -0.009 1
1 284 . 20 1 1 A 23 23 ALA CB C 23 18.400 18.643 -0.243 1
1 285 . 20 1 1 A 23 23 ALA N N 23 123.300 124.597 -1.297 1
1 286 . 20 1 1 A 24 24 LEU H H 24 7.830 7.965 -0.135 1
1 287 . 20 1 1 A 24 24 LEU HA H 24 4.120 4.179 -0.059 1
1 297 . 20 1 1 A 24 24 LEU C C 24 178.600 178.414 0.186 1
1 298 . 20 1 1 A 24 24 LEU CA C 24 57.800 57.351 0.449 1
1 299 . 20 1 1 A 24 24 LEU CB C 24 41.100 41.467 -0.367 1
1 303 . 20 1 1 A 24 24 LEU N N 24 120.400 119.800 0.600 1
1 304 . 20 1 1 A 25 25 LYS H H 25 7.960 8.276 -0.316 1
1 305 . 20 1 1 A 25 25 LYS HA H 25 3.750 4.012 -0.262 1
1 314 . 20 1 1 A 25 25 LYS C C 25 178.300 178.868 -0.568 1
1 315 . 20 1 1 A 25 25 LYS CA C 25 60.400 58.970 1.430 1
1 316 . 20 1 1 A 25 25 LYS CB C 25 32.000 31.847 0.153 1
1 320 . 20 1 1 A 25 25 LYS N N 25 118.000 117.735 0.265 1
1 321 . 20 1 1 A 26 26 ARG H H 26 7.890 8.444 -0.554 1
1 322 . 20 1 1 A 26 26 ARG HA H 26 3.970 4.043 -0.073 1
1 329 . 20 1 1 A 26 26 ARG C C 26 177.700 178.669 -0.969 1
1 330 . 20 1 1 A 26 26 ARG CA C 26 58.700 59.172 -0.472 1
1 331 . 20 1 1 A 26 26 ARG CB C 26 30.000 29.934 0.066 1
1 334 . 20 1 1 A 26 26 ARG N N 26 117.100 119.791 -2.691 1
1 335 . 20 1 1 A 27 27 ARG H H 27 7.660 7.537 0.123 1
1 336 . 20 1 1 A 27 27 ARG HA H 27 4.100 4.089 0.011 1
1 343 . 20 1 1 A 27 27 ARG C C 27 179.000 178.902 0.098 1
1 344 . 20 1 1 A 27 27 ARG CA C 27 59.100 58.577 0.523 1
1 345 . 20 1 1 A 27 27 ARG CB C 27 29.800 30.157 -0.357 1
1 348 . 20 1 1 A 27 27 ARG N N 27 118.600 119.893 -1.293 1
1 349 . 20 1 1 A 28 28 ILE H H 28 7.970 7.750 0.220 1
1 350 . 20 1 1 A 28 28 ILE HA H 28 3.740 3.614 0.126 1
1 360 . 20 1 1 A 28 28 ILE C C 28 178.700 177.831 0.869 1
1 361 . 20 1 1 A 28 28 ILE CA C 28 64.800 65.149 -0.349 1
1 362 . 20 1 1 A 28 28 ILE CB C 28 38.100 38.187 -0.087 1
1 366 . 20 1 1 A 28 28 ILE N N 28 119.400 120.274 -0.874 1
1 367 . 20 1 1 A 29 29 MET H H 29 8.420 7.770 0.650 1
1 368 . 20 1 1 A 29 29 MET HA H 29 4.370 4.615 -0.245 1
1 376 . 20 1 1 A 29 29 MET C C 29 181.400 177.992 3.408 1
1 377 . 20 1 1 A 29 29 MET CA C 29 59.100 58.273 0.827 1
1 378 . 20 1 1 A 29 29 MET CB C 29 32.800 31.658 1.142 1
1 381 . 20 1 1 A 29 29 MET N N 29 119.900 118.345 1.555 1
1 382 . 20 1 1 A 30 30 ASP H H 30 8.650 8.790 -0.140 1
1 383 . 20 1 1 A 30 30 ASP HA H 30 4.440 4.448 -0.008 1
1 386 . 20 1 1 A 30 30 ASP C C 30 178.200 177.269 0.931 1
1 387 . 20 1 1 A 30 30 ASP CA C 30 56.700 56.799 -0.099 1
1 388 . 20 1 1 A 30 30 ASP CB C 30 39.900 41.347 -1.447 1
1 389 . 20 1 1 A 30 30 ASP N N 30 121.800 120.504 1.296 1
1 390 . 20 1 1 A 31 31 MET H H 31 7.570 7.574 -0.004 1
1 391 . 20 1 1 A 31 31 MET HA H 31 4.290 4.442 -0.152 1
1 399 . 20 1 1 A 31 31 MET C C 31 175.700 175.888 -0.188 1
1 400 . 20 1 1 A 31 31 MET CA C 31 56.800 55.987 0.813 1
1 401 . 20 1 1 A 31 31 MET CB C 31 33.300 32.723 0.577 1
1 404 . 20 1 1 A 31 31 MET N N 31 117.500 116.302 1.198 1
1 405 . 20 1 1 A 32 32 GLY H H 32 7.990 7.583 0.407 1
1 406 . 20 1 1 A 32 32 GLY HA2 H 32 4.270 3.976 0.294 1
1 407 . 20 1 1 A 32 32 GLY HA3 H 32 3.630 3.977 -0.347 1
1 408 . 20 1 1 A 32 32 GLY C C 32 173.600 174.736 -1.136 1
1 409 . 20 1 1 A 32 32 GLY CA C 32 44.200 45.338 -1.138 1
1 410 . 20 1 1 A 32 32 GLY N N 32 104.400 105.379 -0.979 1
1 411 . 20 1 1 A 33 33 ILE H H 33 7.140 7.343 -0.203 1
1 412 . 20 1 1 A 33 33 ILE HA H 33 4.120 4.050 0.070 1
1 422 . 20 1 1 A 33 33 ILE C C 33 172.400 174.582 -2.182 1
1 423 . 20 1 1 A 33 33 ILE CA C 33 61.700 61.049 0.651 1
1 424 . 20 1 1 A 33 33 ILE CB C 33 37.200 36.532 0.668 1
1 428 . 20 1 1 A 33 33 ILE N N 33 120.800 122.218 -1.418 1
1 429 . 20 1 1 A 34 34 THR H H 34 6.930 8.169 -1.239 1
1 430 . 20 1 1 A 34 34 THR HA H 34 4.590 5.147 -0.557 1
1 435 . 20 1 1 A 34 34 THR C C 34 174.400 173.744 0.656 1
1 436 . 20 1 1 A 34 34 THR CA C 34 58.300 59.343 -1.043 1
1 437 . 20 1 1 A 34 34 THR CB C 34 72.200 70.993 1.207 1
1 439 . 20 1 1 A 34 34 THR N N 34 113.300 117.871 -4.571 1
1 440 . 20 1 1 A 35 35 ARG H H 35 8.760 8.416 0.344 1
1 441 . 20 1 1 A 35 35 ARG HA H 35 3.520 4.244 -0.724 1
1 448 . 20 1 1 A 35 35 ARG C C 35 176.800 176.683 0.117 1
1 449 . 20 1 1 A 35 35 ARG CA C 35 58.700 56.247 2.453 1
1 450 . 20 1 1 A 35 35 ARG CB C 35 29.700 30.214 -0.514 1
1 453 . 20 1 1 A 35 35 ARG N N 35 121.300 119.951 1.349 1
1 454 . 20 1 1 A 36 36 GLY H H 36 8.950 9.472 -0.522 1
1 455 . 20 1 1 A 36 36 GLY HA2 H 36 4.460 3.943 0.517 1
1 456 . 20 1 1 A 36 36 GLY HA3 H 36 3.560 3.945 -0.385 1
1 457 . 20 1 1 A 36 36 GLY C C 36 173.900 173.904 -0.004 1
1 458 . 20 1 1 A 36 36 GLY CA C 36 44.700 46.040 -1.340 1
1 459 . 20 1 1 A 36 36 GLY N N 36 114.200 111.338 2.862 1
1 460 . 20 1 1 A 37 37 CYS H H 37 7.950 7.905 0.045 1
1 461 . 20 1 1 A 37 37 CYS HA H 37 4.550 5.021 -0.471 1
1 464 . 20 1 1 A 37 37 CYS C C 37 172.900 173.570 -0.670 1
1 465 . 20 1 1 A 37 37 CYS CA C 37 59.200 56.773 2.427 1
1 466 . 20 1 1 A 37 37 CYS CB C 37 28.000 30.677 -2.677 1
1 467 . 20 1 1 A 37 37 CYS N N 37 118.400 117.395 1.005 1
1 468 . 20 1 1 A 38 38 GLU H H 38 8.540 8.625 -0.085 1
1 469 . 20 1 1 A 38 38 GLU HA H 38 5.160 4.954 0.206 1
1 474 . 20 1 1 A 38 38 GLU C C 38 176.000 175.778 0.222 1
1 475 . 20 1 1 A 38 38 GLU CA C 38 55.300 55.804 -0.504 1
1 476 . 20 1 1 A 38 38 GLU CB C 38 31.500 31.099 0.401 1
1 478 . 20 1 1 A 38 38 GLU N N 38 123.100 121.688 1.412 1
1 479 . 20 1 1 A 39 39 ILE H H 39 9.360 9.330 0.030 1
1 480 . 20 1 1 A 39 39 ILE HA H 39 4.600 5.448 -0.848 1
1 490 . 20 1 1 A 39 39 ILE C C 39 173.700 173.454 0.246 1
1 491 . 20 1 1 A 39 39 ILE CA C 39 60.500 60.501 -0.001 1
1 492 . 20 1 1 A 39 39 ILE CB C 39 41.300 41.738 -0.438 1
1 496 . 20 1 1 A 39 39 ILE N N 39 124.000 124.231 -0.231 1
1 497 . 20 1 1 A 40 40 TYR H H 40 8.540 8.946 -0.406 1
1 498 . 20 1 1 A 40 40 TYR HA H 40 5.340 5.168 0.172 1
1 505 . 20 1 1 A 40 40 TYR C C 40 175.000 174.231 0.769 1
1 506 . 20 1 1 A 40 40 TYR CA C 40 55.900 56.160 -0.260 1
1 507 . 20 1 1 A 40 40 TYR CB C 40 40.900 40.127 0.773 1
1 510 . 20 1 1 A 40 40 TYR N N 40 127.000 128.538 -1.538 1
1 511 . 20 1 1 A 41 41 ILE H H 41 7.850 8.288 -0.438 1
1 512 . 20 1 1 A 41 41 ILE HA H 41 3.910 3.955 -0.045 1
1 522 . 20 1 1 A 41 41 ILE C C 41 173.600 175.652 -2.052 1
1 523 . 20 1 1 A 41 41 ILE CA C 41 61.500 61.088 0.412 1
1 524 . 20 1 1 A 41 41 ILE CB C 41 35.800 36.959 -1.159 1
1 528 . 20 1 1 A 41 41 ILE N N 41 127.800 127.751 0.049 1
1 529 . 20 1 1 A 42 42 ARG H H 42 8.460 9.471 -1.011 1
1 530 . 20 1 1 A 42 42 ARG HA H 42 4.110 4.285 -0.175 1
1 537 . 20 1 1 A 42 42 ARG C C 42 176.500 175.606 0.894 1
1 538 . 20 1 1 A 42 42 ARG CA C 42 57.700 57.389 0.311 1
1 539 . 20 1 1 A 42 42 ARG CB C 42 31.400 31.655 -0.255 1
1 542 . 20 1 1 A 42 42 ARG N N 42 128.100 129.598 -1.498 1
1 543 . 20 1 1 A 43 43 LYS H H 43 7.920 7.249 0.671 1
1 544 . 20 1 1 A 43 43 LYS HA H 43 4.530 4.889 -0.359 1
1 553 . 20 1 1 A 43 43 LYS C C 43 173.100 174.360 -1.260 1
1 554 . 20 1 1 A 43 43 LYS CA C 43 56.400 55.411 0.989 1
1 555 . 20 1 1 A 43 43 LYS CB C 43 36.100 36.652 -0.552 1
1 559 . 20 1 1 A 43 43 LYS N N 43 116.400 116.906 -0.506 1
1 560 . 20 1 1 A 44 44 VAL H H 44 8.450 8.660 -0.210 1
1 561 . 20 1 1 A 44 44 VAL HA H 44 4.260 4.536 -0.276 1
1 569 . 20 1 1 A 44 44 VAL C C 44 175.000 175.176 -0.176 1
1 570 . 20 1 1 A 44 44 VAL CA C 44 61.500 60.624 0.876 1
1 571 . 20 1 1 A 44 44 VAL CB C 44 34.200 34.378 -0.178 1
1 574 . 20 1 1 A 44 44 VAL N N 44 123.900 122.429 1.471 1
1 575 . 20 1 1 A 45 45 ALA H H 45 7.550 8.557 -1.007 1
1 576 . 20 1 1 A 45 45 ALA HA H 45 4.480 4.474 0.006 1
1 580 . 20 1 1 A 45 45 ALA CA C 45 51.500 50.564 0.936 1
1 581 . 20 1 1 A 45 45 ALA CB C 45 17.600 17.907 -0.307 1
1 582 . 20 1 1 A 45 45 ALA N N 45 129.600 129.964 -0.364 1
1 583 . 20 1 1 A 46 46 PRO HA H 46 4.290 4.348 -0.058 1
1 590 . 20 1 1 A 46 46 PRO C C 46 177.800 176.933 0.867 1
1 591 . 20 1 1 A 46 46 PRO CA C 46 65.500 64.993 0.507 1
1 592 . 20 1 1 A 46 46 PRO CB C 46 31.600 31.920 -0.320 1
1 595 . 20 1 1 A 47 47 LEU H H 47 8.330 7.699 0.631 1
1 596 . 20 1 1 A 47 47 LEU HA H 47 4.330 4.204 0.126 1
1 606 . 20 1 1 A 47 47 LEU C C 47 178.000 177.667 0.333 1
1 607 . 20 1 1 A 47 47 LEU CA C 47 55.300 54.219 1.081 1
1 608 . 20 1 1 A 47 47 LEU CB C 47 40.300 41.739 -1.439 1
1 612 . 20 1 1 A 47 47 LEU N N 47 115.100 114.797 0.303 1
1 613 . 20 1 1 A 48 48 GLY H H 48 8.420 8.103 0.317 1
1 614 . 20 1 1 A 48 48 GLY HA2 H 48 4.090 4.004 0.086 1
1 615 . 20 1 1 A 48 48 GLY HA3 H 48 3.490 4.007 -0.517 1
1 616 . 20 1 1 A 48 48 GLY C C 48 171.900 173.320 -1.420 1
1 617 . 20 1 1 A 48 48 GLY CA C 48 45.500 45.663 -0.163 1
1 618 . 20 1 1 A 48 48 GLY N N 48 107.400 109.293 -1.893 1
1 619 . 20 1 1 A 49 49 ASP H H 49 6.850 7.942 -1.092 1
1 620 . 20 1 1 A 49 49 ASP HA H 49 5.050 5.241 -0.191 1
1 623 . 20 1 1 A 49 49 ASP CA C 49 50.200 51.245 -1.045 1
1 624 . 20 1 1 A 49 49 ASP CB C 49 45.300 43.105 2.195 1
1 625 . 20 1 1 A 49 49 ASP N N 49 116.000 119.201 -3.201 1
1 626 . 20 1 1 A 50 50 PRO HA H 50 5.450 4.831 0.619 1
1 633 . 20 1 1 A 50 50 PRO C C 50 174.900 175.609 -0.709 1
1 634 . 20 1 1 A 50 50 PRO CA C 50 63.900 62.224 1.676 1
1 635 . 20 1 1 A 50 50 PRO CB C 50 35.600 32.819 2.781 1
1 638 . 20 1 1 A 51 51 ILE H H 51 8.980 8.992 -0.012 1
1 639 . 20 1 1 A 51 51 ILE HA H 51 4.400 4.389 0.011 1
1 649 . 20 1 1 A 51 51 ILE C C 51 174.500 175.494 -0.994 1
1 650 . 20 1 1 A 51 51 ILE CA C 51 61.100 60.566 0.534 1
1 651 . 20 1 1 A 51 51 ILE CB C 51 40.900 38.484 2.416 1
1 655 . 20 1 1 A 51 51 ILE N N 51 118.100 122.908 -4.808 1
1 656 . 20 1 1 A 52 52 GLN H H 52 9.060 8.900 0.160 1
1 657 . 20 1 1 A 52 52 GLN HA H 52 5.160 4.702 0.458 1
1 664 . 20 1 1 A 52 52 GLN C C 52 175.800 175.723 0.077 1
1 665 . 20 1 1 A 52 52 GLN CA C 52 54.900 55.880 -0.980 1
1 666 . 20 1 1 A 52 52 GLN CB C 52 29.600 29.365 0.235 1
1 668 . 20 1 1 A 52 52 GLN N N 52 126.100 126.845 -0.745 1
1 670 . 20 1 1 A 53 53 ILE H H 53 9.080 9.073 0.007 1
1 671 . 20 1 1 A 53 53 ILE HA H 53 5.440 5.057 0.383 1
1 681 . 20 1 1 A 53 53 ILE C C 53 174.000 173.899 0.101 1
1 682 . 20 1 1 A 53 53 ILE CA C 53 58.700 58.889 -0.189 1
1 683 . 20 1 1 A 53 53 ILE CB C 53 41.500 41.671 -0.171 1
1 687 . 20 1 1 A 53 53 ILE N N 53 117.600 119.263 -1.663 1
1 688 . 20 1 1 A 54 54 ASN H H 54 9.360 8.815 0.545 1
1 689 . 20 1 1 A 54 54 ASN HA H 54 5.840 5.683 0.157 1
1 694 . 20 1 1 A 54 54 ASN C C 54 174.800 173.211 1.589 1
1 695 . 20 1 1 A 54 54 ASN CA C 54 52.300 51.934 0.366 1
1 696 . 20 1 1 A 54 54 ASN CB C 54 42.200 40.881 1.319 1
1 697 . 20 1 1 A 54 54 ASN N N 54 120.100 122.048 -1.948 1
1 699 . 20 1 1 A 55 55 VAL H H 55 8.900 9.347 -0.447 1
1 700 . 20 1 1 A 55 55 VAL HA H 55 4.480 4.739 -0.259 1
1 708 . 20 1 1 A 55 55 VAL C C 55 174.400 175.521 -1.121 1
1 709 . 20 1 1 A 55 55 VAL CA C 55 60.800 59.629 1.171 1
1 710 . 20 1 1 A 55 55 VAL CB C 55 34.300 34.084 0.216 1
1 713 . 20 1 1 A 55 55 VAL N N 55 124.400 126.945 -2.545 1
1 714 . 20 1 1 A 56 56 ARG H H 56 9.680 8.732 0.948 1
1 715 . 20 1 1 A 56 56 ARG HA H 56 3.880 3.909 -0.029 1
1 722 . 20 1 1 A 56 56 ARG C C 56 175.000 176.489 -1.489 1
1 723 . 20 1 1 A 56 56 ARG CA C 56 57.200 58.571 -1.371 1
1 724 . 20 1 1 A 56 56 ARG CB C 56 28.400 28.852 -0.452 1
1 727 . 20 1 1 A 56 56 ARG N N 56 125.100 126.305 -1.205 1
1 728 . 20 1 1 A 57 57 GLY H H 57 8.130 8.320 -0.190 1
1 729 . 20 1 1 A 57 57 GLY HA2 H 57 4.130 4.129 0.001 1
1 730 . 20 1 1 A 57 57 GLY HA3 H 57 3.610 4.137 -0.527 1
1 731 . 20 1 1 A 57 57 GLY C C 57 174.300 173.197 1.103 1
1 732 . 20 1 1 A 57 57 GLY CA C 57 45.300 45.792 -0.492 1
1 733 . 20 1 1 A 57 57 GLY N N 57 103.500 107.235 -3.735 1
1 734 . 20 1 1 A 58 58 TYR H H 58 8.180 8.279 -0.099 1
1 735 . 20 1 1 A 58 58 TYR HA H 58 4.750 4.994 -0.244 1
1 742 . 20 1 1 A 58 58 TYR C C 58 174.500 173.760 0.740 1
1 743 . 20 1 1 A 58 58 TYR CA C 58 56.600 56.558 0.042 1
1 744 . 20 1 1 A 58 58 TYR CB C 58 39.500 41.857 -2.357 1
1 747 . 20 1 1 A 58 58 TYR N N 58 121.300 120.997 0.303 1
1 748 . 20 1 1 A 59 59 GLU H H 59 8.480 8.692 -0.212 1
1 749 . 20 1 1 A 59 59 GLU HA H 59 5.120 5.364 -0.244 1
1 754 . 20 1 1 A 59 59 GLU C C 59 178.400 175.252 3.148 1
1 755 . 20 1 1 A 59 59 GLU CA C 59 55.200 55.240 -0.040 1
1 756 . 20 1 1 A 59 59 GLU CB C 59 30.400 31.054 -0.654 1
1 758 . 20 1 1 A 59 59 GLU N N 59 122.400 125.516 -3.116 1
1 759 . 20 1 1 A 60 60 LEU H H 60 8.900 9.127 -0.227 1
1 760 . 20 1 1 A 60 60 LEU HA H 60 4.830 5.008 -0.178 1
1 770 . 20 1 1 A 60 60 LEU C C 60 175.100 175.659 -0.559 1
1 771 . 20 1 1 A 60 60 LEU CA C 60 53.800 53.288 0.512 1
1 772 . 20 1 1 A 60 60 LEU CB C 60 46.200 46.183 0.017 1
1 776 . 20 1 1 A 60 60 LEU N N 60 124.600 126.166 -1.566 1
1 777 . 20 1 1 A 61 61 SER H H 61 8.390 8.643 -0.253 1
1 778 . 20 1 1 A 61 61 SER HA H 61 5.150 5.167 -0.017 1
1 781 . 20 1 1 A 61 61 SER C C 61 173.300 172.870 0.430 1
1 782 . 20 1 1 A 61 61 SER CA C 61 56.600 58.108 -1.508 1
1 783 . 20 1 1 A 61 61 SER CB C 61 63.900 64.296 -0.396 1
1 784 . 20 1 1 A 61 61 SER N N 61 116.100 117.804 -1.704 1
1 785 . 20 1 1 A 62 62 LEU H H 62 9.190 9.537 -0.347 1
1 786 . 20 1 1 A 62 62 LEU HA H 62 4.700 5.113 -0.413 1
1 796 . 20 1 1 A 62 62 LEU C C 62 175.800 175.750 0.050 1
1 797 . 20 1 1 A 62 62 LEU CA C 62 53.000 53.507 -0.507 1
1 798 . 20 1 1 A 62 62 LEU CB C 62 45.900 45.108 0.792 1
1 802 . 20 1 1 A 62 62 LEU N N 62 126.800 129.434 -2.634 1
1 803 . 20 1 1 A 63 63 ARG H H 63 8.670 8.550 0.120 1
1 804 . 20 1 1 A 63 63 ARG HA H 63 4.640 4.350 0.290 1
1 811 . 20 1 1 A 63 63 ARG C C 63 176.000 177.289 -1.289 1
1 812 . 20 1 1 A 63 63 ARG CA C 63 53.700 55.821 -2.121 1
1 813 . 20 1 1 A 63 63 ARG CB C 63 29.100 31.254 -2.154 1
1 816 . 20 1 1 A 63 63 ARG N N 63 120.600 124.808 -4.208 1
1 817 . 20 1 1 A 64 64 LYS H H 64 8.900 9.016 -0.116 1
1 818 . 20 1 1 A 64 64 LYS HA H 64 3.800 3.879 -0.079 1
1 827 . 20 1 1 A 64 64 LYS C C 64 177.100 178.119 -1.019 1
1 828 . 20 1 1 A 64 64 LYS CA C 64 60.200 59.986 0.214 1
1 829 . 20 1 1 A 64 64 LYS CB C 64 32.300 32.090 0.210 1
1 833 . 20 1 1 A 64 64 LYS N N 64 124.600 125.726 -1.126 1
1 834 . 20 1 1 A 65 65 SER H H 65 8.380 8.328 0.052 1
1 835 . 20 1 1 A 65 65 SER HA H 65 4.130 4.209 -0.079 1
1 838 . 20 1 1 A 65 65 SER C C 65 176.000 177.086 -1.086 1
1 839 . 20 1 1 A 65 65 SER CA C 65 60.300 61.395 -1.095 1
1 840 . 20 1 1 A 65 65 SER CB C 65 61.900 62.122 -0.222 1
1 841 . 20 1 1 A 65 65 SER N N 65 110.900 115.475 -4.575 1
1 842 . 20 1 1 A 66 66 ALA H H 66 6.910 8.135 -1.225 1
1 843 . 20 1 1 A 66 66 ALA HA H 66 4.290 4.031 0.259 1
1 847 . 20 1 1 A 66 66 ALA C C 66 178.800 179.666 -0.866 1
1 848 . 20 1 1 A 66 66 ALA CA C 66 54.000 55.054 -1.054 1
1 849 . 20 1 1 A 66 66 ALA CB C 66 18.800 18.288 0.512 1
1 850 . 20 1 1 A 66 66 ALA N N 66 122.600 123.650 -1.050 1
1 851 . 20 1 1 A 67 67 ALA H H 67 8.050 8.282 -0.232 1
1 852 . 20 1 1 A 67 67 ALA HA H 67 3.850 3.989 -0.139 1
1 856 . 20 1 1 A 67 67 ALA C C 67 178.800 178.461 0.339 1
1 857 . 20 1 1 A 67 67 ALA CA C 67 54.900 54.682 0.218 1
1 858 . 20 1 1 A 67 67 ALA CB C 67 18.700 18.380 0.320 1
1 859 . 20 1 1 A 67 67 ALA N N 67 118.800 119.606 -0.806 1
1 860 . 20 1 1 A 68 68 GLU H H 68 7.910 7.779 0.131 1
1 861 . 20 1 1 A 68 68 GLU HA H 68 4.150 4.216 -0.066 1
1 866 . 20 1 1 A 68 68 GLU C C 68 175.900 176.935 -1.035 1
1 867 . 20 1 1 A 68 68 GLU CA C 68 57.200 57.157 0.043 1
1 868 . 20 1 1 A 68 68 GLU CB C 68 29.800 29.752 0.048 1
1 870 . 20 1 1 A 68 68 GLU N N 68 113.100 114.819 -1.719 1
1 871 . 20 1 1 A 69 69 MET H H 69 7.360 7.915 -0.555 1
1 872 . 20 1 1 A 69 69 MET HA H 69 4.590 4.801 -0.211 1
1 880 . 20 1 1 A 69 69 MET C C 69 174.400 175.515 -1.115 1
1 881 . 20 1 1 A 69 69 MET CA C 69 53.800 54.816 -1.016 1
1 882 . 20 1 1 A 69 69 MET CB C 69 32.400 32.568 -0.168 1
1 885 . 20 1 1 A 69 69 MET N N 69 114.100 117.730 -3.630 1
1 886 . 20 1 1 A 70 70 ILE H H 70 7.310 6.965 0.345 1
1 887 . 20 1 1 A 70 70 ILE HA H 70 4.260 4.018 0.242 1
1 897 . 20 1 1 A 70 70 ILE C C 70 174.100 175.060 -0.960 1
1 898 . 20 1 1 A 70 70 ILE CA C 70 60.900 60.977 -0.077 1
1 899 . 20 1 1 A 70 70 ILE CB C 70 38.700 38.358 0.342 1
1 903 . 20 1 1 A 70 70 ILE N N 70 120.300 120.029 0.271 1
1 904 . 20 1 1 A 71 71 GLU H H 71 8.910 8.729 0.181 1
1 905 . 20 1 1 A 71 71 GLU HA H 71 4.750 4.554 0.196 1
1 910 . 20 1 1 A 71 71 GLU C C 71 177.100 176.541 0.559 1
1 911 . 20 1 1 A 71 71 GLU CA C 71 55.900 55.992 -0.092 1
1 912 . 20 1 1 A 71 71 GLU CB C 71 30.600 30.198 0.402 1
1 914 . 20 1 1 A 71 71 GLU N N 71 129.500 128.161 1.339 1
1 915 . 20 1 1 A 72 72 VAL H H 72 8.880 8.368 0.512 1
1 916 . 20 1 1 A 72 72 VAL HA H 72 5.520 5.129 0.391 1
1 924 . 20 1 1 A 72 72 VAL C C 72 173.200 173.551 -0.351 1
1 925 . 20 1 1 A 72 72 VAL CA C 72 58.500 58.834 -0.334 1
1 926 . 20 1 1 A 72 72 VAL CB C 72 36.200 35.226 0.974 1
1 929 . 20 1 1 A 72 72 VAL N N 72 119.400 121.200 -1.800 1
1 930 . 20 1 1 A 73 73 GLU H H 73 8.720 9.500 -0.780 1
1 931 . 20 1 1 A 73 73 GLU HA H 73 4.750 5.169 -0.419 1
1 936 . 20 1 1 A 73 73 GLU C C 73 175.300 175.372 -0.072 1
1 937 . 20 1 1 A 73 73 GLU CA C 73 54.000 54.528 -0.528 1
1 938 . 20 1 1 A 73 73 GLU CB C 73 33.300 33.087 0.213 1
1 940 . 20 1 1 A 73 73 GLU N N 73 116.600 122.078 -5.478 1
1 941 . 20 1 1 A 74 74 LEU H H 74 8.780 8.589 0.191 1
1 942 . 20 1 1 A 74 74 LEU HA H 74 4.330 4.695 -0.365 1
1 952 . 20 1 1 A 74 74 LEU C C 74 176.400 175.439 0.961 1
1 953 . 20 1 1 A 74 74 LEU CA C 74 55.400 54.235 1.165 1
1 954 . 20 1 1 A 74 74 LEU CB C 74 42.600 42.686 -0.086 1
1 958 . 20 1 1 A 74 74 LEU N N 74 124.100 128.412 -4.312 1
1 959 . 20 1 1 A 75 75 GLU H H 75 8.450 8.643 -0.193 1
1 960 . 20 1 1 A 75 75 GLU HA H 75 4.350 4.570 -0.220 1
1 965 . 20 1 1 A 75 75 GLU C C 75 175.700 175.942 -0.242 1
1 966 . 20 1 1 A 75 75 GLU CA C 75 55.800 56.003 -0.203 1
1 967 . 20 1 1 A 75 75 GLU CB C 75 30.500 30.300 0.200 1
1 969 . 20 1 1 A 75 75 GLU N N 75 123.500 127.975 -4.475 1
1 970 . 20 1 1 A 76 76 HIS H H 76 8.500 8.663 -0.163 1
1 971 . 20 1 1 A 76 76 HIS HA H 76 4.590 4.672 -0.082 1
1 976 . 20 1 1 A 76 76 HIS C C 76 173.800 175.520 -1.720 1
1 977 . 20 1 1 A 76 76 HIS CA C 76 55.700 56.718 -1.018 1
1 978 . 20 1 1 A 76 76 HIS CB C 76 30.200 30.364 -0.164 1
1 981 . 20 1 1 A 76 76 HIS N N 76 120.800 125.864 -5.064 1
1 982 . 20 1 1 A 77 77 HIS H H 77 8.100 9.152 -1.052 1
1 983 . 20 1 1 A 77 77 HIS HA H 77 4.610 5.024 -0.414 1
1 988 . 20 1 1 A 77 77 HIS C C 77 180.000 175.286 4.714 1
1 989 . 20 1 1 A 77 77 HIS CA C 77 56.400 54.583 1.817 1
1 990 . 20 1 1 A 77 77 HIS CB C 77 29.900 29.858 0.042 1
1 993 . 20 1 1 A 77 77 HIS N N 77 125.100 119.278 5.822 1
1 994 . 20 1 1 A 78 78 HIS H H 78 8.250 8.629 -0.379 1
1 995 . 20 1 1 A 78 78 HIS HA H 78 4.620 5.615 -0.995 1
1 1000 . 20 1 1 A 78 78 HIS C C 78 180.000 175.256 4.744 1
1 1001 . 20 1 1 A 78 78 HIS CA C 78 56.400 53.487 2.913 1
1 1002 . 20 1 1 A 78 78 HIS CB C 78 29.900 33.070 -3.170 1
1 1005 . 20 1 1 A 78 78 HIS N N 78 119.400 120.723 -1.323 1
1 1006 . 20 1 1 A 79 79 HIS H H 79 8.250 9.110 -0.860 1
1 1007 . 20 1 1 A 79 79 HIS HA H 79 4.620 4.668 -0.048 1
1 1012 . 20 1 1 A 79 79 HIS C C 79 180.000 175.931 4.069 1
1 1013 . 20 1 1 A 79 79 HIS CA C 79 56.400 56.078 0.322 1
1 1014 . 20 1 1 A 79 79 HIS CB C 79 29.900 30.218 -0.318 1
1 1017 . 20 1 1 A 79 79 HIS N N 79 119.400 119.446 -0.046 1
1 1018 . 20 1 1 A 80 80 HIS H H 80 8.250 8.756 -0.506 1
1 1019 . 20 1 1 A 80 80 HIS HA H 80 4.620 4.889 -0.269 1
1 1024 . 20 1 1 A 80 80 HIS C C 80 180.000 174.873 5.127 1
1 1025 . 20 1 1 A 80 80 HIS CA C 80 56.400 55.602 0.798 1
1 1026 . 20 1 1 A 80 80 HIS CB C 80 29.900 31.143 -1.243 1
1 1029 . 20 1 1 A 80 80 HIS N N 80 119.400 122.571 -3.171 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 77 1.745 1
2 1 1 1 "RMS(OBS, PRED)" CA 79 1.051 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 1.182 1
4 1 1 1 "RMS(OBS, PRED)" H 77 0.485 1
5 1 1 1 "RMS(OBS, PRED)" HA 86 0.313 1
6 1 1 1 "RMS(OBS, PRED)" N 77 2.948 1
7 1 2 1 "RMS(OBS, PRED)" C 77 1.742 1
8 1 2 1 "RMS(OBS, PRED)" CA 79 1.175 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 1.251 1
10 1 2 1 "RMS(OBS, PRED)" H 77 0.477 1
11 1 2 1 "RMS(OBS, PRED)" HA 86 0.326 1
12 1 2 1 "RMS(OBS, PRED)" N 77 3.594 1
13 1 3 1 "RMS(OBS, PRED)" C 77 1.684 1
14 1 3 1 "RMS(OBS, PRED)" CA 79 1.171 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 1.308 1
16 1 3 1 "RMS(OBS, PRED)" H 77 0.535 1
17 1 3 1 "RMS(OBS, PRED)" HA 86 0.302 1
18 1 3 1 "RMS(OBS, PRED)" N 77 3.134 1
19 1 4 1 "RMS(OBS, PRED)" C 77 1.824 1
20 1 4 1 "RMS(OBS, PRED)" CA 79 1.047 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 1.299 1
22 1 4 1 "RMS(OBS, PRED)" H 77 0.468 1
23 1 4 1 "RMS(OBS, PRED)" HA 86 0.285 1
24 1 4 1 "RMS(OBS, PRED)" N 77 3.182 1
25 1 5 1 "RMS(OBS, PRED)" C 77 1.725 1
26 1 5 1 "RMS(OBS, PRED)" CA 79 0.841 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 1.302 1
28 1 5 1 "RMS(OBS, PRED)" H 77 0.519 1
29 1 5 1 "RMS(OBS, PRED)" HA 86 0.301 1
30 1 5 1 "RMS(OBS, PRED)" N 77 3.138 1
31 1 6 1 "RMS(OBS, PRED)" C 77 1.665 1
32 1 6 1 "RMS(OBS, PRED)" CA 79 1.067 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 1.135 1
34 1 6 1 "RMS(OBS, PRED)" H 77 0.497 1
35 1 6 1 "RMS(OBS, PRED)" HA 86 0.275 1
36 1 6 1 "RMS(OBS, PRED)" N 77 2.882 1
37 1 7 1 "RMS(OBS, PRED)" C 77 1.724 1
38 1 7 1 "RMS(OBS, PRED)" CA 79 1.021 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 1.166 1
40 1 7 1 "RMS(OBS, PRED)" H 77 0.471 1
41 1 7 1 "RMS(OBS, PRED)" HA 86 0.313 1
42 1 7 1 "RMS(OBS, PRED)" N 77 3.146 1
43 1 8 1 "RMS(OBS, PRED)" C 77 1.725 1
44 1 8 1 "RMS(OBS, PRED)" CA 79 1.119 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 1.113 1
46 1 8 1 "RMS(OBS, PRED)" H 77 0.520 1
47 1 8 1 "RMS(OBS, PRED)" HA 86 0.319 1
48 1 8 1 "RMS(OBS, PRED)" N 77 3.162 1
49 1 9 1 "RMS(OBS, PRED)" C 77 1.733 1
50 1 9 1 "RMS(OBS, PRED)" CA 79 0.939 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 1.235 1
52 1 9 1 "RMS(OBS, PRED)" H 77 0.535 1
53 1 9 1 "RMS(OBS, PRED)" HA 86 0.311 1
54 1 9 1 "RMS(OBS, PRED)" N 77 2.918 1
55 1 10 1 "RMS(OBS, PRED)" C 77 1.523 1
56 1 10 1 "RMS(OBS, PRED)" CA 79 0.967 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 1.172 1
58 1 10 1 "RMS(OBS, PRED)" H 77 0.469 1
59 1 10 1 "RMS(OBS, PRED)" HA 86 0.306 1
60 1 10 1 "RMS(OBS, PRED)" N 77 2.927 1
61 1 11 1 "RMS(OBS, PRED)" C 77 1.708 1
62 1 11 1 "RMS(OBS, PRED)" CA 79 1.107 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 1.331 1
64 1 11 1 "RMS(OBS, PRED)" H 77 0.497 1
65 1 11 1 "RMS(OBS, PRED)" HA 86 0.280 1
66 1 11 1 "RMS(OBS, PRED)" N 77 3.302 1
67 1 12 1 "RMS(OBS, PRED)" C 77 1.806 1
68 1 12 1 "RMS(OBS, PRED)" CA 79 1.015 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 1.114 1
70 1 12 1 "RMS(OBS, PRED)" H 77 0.492 1
71 1 12 1 "RMS(OBS, PRED)" HA 86 0.303 1
72 1 12 1 "RMS(OBS, PRED)" N 77 2.878 1
73 1 13 1 "RMS(OBS, PRED)" C 77 1.796 1
74 1 13 1 "RMS(OBS, PRED)" CA 79 0.970 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 1.334 1
76 1 13 1 "RMS(OBS, PRED)" H 77 0.500 1
77 1 13 1 "RMS(OBS, PRED)" HA 86 0.298 1
78 1 13 1 "RMS(OBS, PRED)" N 77 2.997 1
79 1 14 1 "RMS(OBS, PRED)" C 77 1.735 1
80 1 14 1 "RMS(OBS, PRED)" CA 79 1.102 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 1.364 1
82 1 14 1 "RMS(OBS, PRED)" H 77 0.476 1
83 1 14 1 "RMS(OBS, PRED)" HA 86 0.285 1
84 1 14 1 "RMS(OBS, PRED)" N 77 2.992 1
85 1 15 1 "RMS(OBS, PRED)" C 77 1.643 1
86 1 15 1 "RMS(OBS, PRED)" CA 79 1.013 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 1.247 1
88 1 15 1 "RMS(OBS, PRED)" H 77 0.506 1
89 1 15 1 "RMS(OBS, PRED)" HA 86 0.295 1
90 1 15 1 "RMS(OBS, PRED)" N 77 3.246 1
91 1 16 1 "RMS(OBS, PRED)" C 77 1.483 1
92 1 16 1 "RMS(OBS, PRED)" CA 79 0.965 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 1.253 1
94 1 16 1 "RMS(OBS, PRED)" H 77 0.478 1
95 1 16 1 "RMS(OBS, PRED)" HA 86 0.309 1
96 1 16 1 "RMS(OBS, PRED)" N 77 3.015 1
97 1 17 1 "RMS(OBS, PRED)" C 77 1.635 1
98 1 17 1 "RMS(OBS, PRED)" CA 79 1.082 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 1.395 1
100 1 17 1 "RMS(OBS, PRED)" H 77 0.508 1
101 1 17 1 "RMS(OBS, PRED)" HA 86 0.343 1
102 1 17 1 "RMS(OBS, PRED)" N 77 3.266 1
103 1 18 1 "RMS(OBS, PRED)" C 77 1.451 1
104 1 18 1 "RMS(OBS, PRED)" CA 79 1.041 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 1.296 1
106 1 18 1 "RMS(OBS, PRED)" H 77 0.476 1
107 1 18 1 "RMS(OBS, PRED)" HA 86 0.272 1
108 1 18 1 "RMS(OBS, PRED)" N 77 2.737 1
109 1 19 1 "RMS(OBS, PRED)" C 77 1.738 1
110 1 19 1 "RMS(OBS, PRED)" CA 79 1.114 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 1.323 1
112 1 19 1 "RMS(OBS, PRED)" H 77 0.461 1
113 1 19 1 "RMS(OBS, PRED)" HA 86 0.283 1
114 1 19 1 "RMS(OBS, PRED)" N 77 2.695 1
115 1 20 1 "RMS(OBS, PRED)" C 77 1.519 1
116 1 20 1 "RMS(OBS, PRED)" CA 79 1.038 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 1.179 1
118 1 20 1 "RMS(OBS, PRED)" H 77 0.556 1
119 1 20 1 "RMS(OBS, PRED)" HA 86 0.341 1
120 1 20 1 "RMS(OBS, PRED)" N 77 3.026 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 16 . 1 1 A 2 2 PHE H H 2 9.360 9.204 0.156 2
1 17 . 1 1 A 2 2 PHE HA H 2 4.960 5.178 -0.218 2
1 25 . 1 1 A 2 2 PHE C C 2 173.300 174.195 -0.895 2
1 26 . 1 1 A 2 2 PHE CA C 2 56.400 55.855 0.545 2
1 27 . 1 1 A 2 2 PHE CB C 2 38.500 41.001 -2.501 2
1 31 . 1 1 A 2 2 PHE N N 2 127.300 126.367 0.933 2
1 32 . 1 1 A 3 3 SER H H 3 9.150 8.646 0.504 2
1 33 . 1 1 A 3 3 SER HA H 3 5.590 5.007 0.583 2
1 36 . 1 1 A 3 3 SER C C 3 176.100 175.193 0.907 2
1 37 . 1 1 A 3 3 SER CA C 3 56.500 57.116 -0.616 2
1 38 . 1 1 A 3 3 SER CB C 3 68.100 65.144 2.956 2
1 39 . 1 1 A 3 3 SER N N 3 124.000 121.543 2.457 2
1 40 . 1 1 A 4 4 LEU H H 4 8.540 8.634 -0.094 2
1 41 . 1 1 A 4 4 LEU HA H 4 3.770 4.088 -0.319 2
1 51 . 1 1 A 4 4 LEU C C 4 177.200 178.052 -0.852 2
1 52 . 1 1 A 4 4 LEU CA C 4 57.300 57.863 -0.563 2
1 53 . 1 1 A 4 4 LEU CB C 4 41.600 41.635 -0.035 2
1 57 . 1 1 A 4 4 LEU N N 4 120.800 125.737 -4.937 2
1 58 . 1 1 A 5 5 ARG H H 5 7.150 8.088 -0.938 2
1 59 . 1 1 A 5 5 ARG HA H 5 3.830 4.011 -0.181 2
1 66 . 1 1 A 5 5 ARG C C 5 175.900 177.482 -1.582 2
1 67 . 1 1 A 5 5 ARG CA C 5 57.300 58.612 -1.312 2
1 68 . 1 1 A 5 5 ARG CB C 5 29.400 29.573 -0.173 2
1 71 . 1 1 A 5 5 ARG N N 5 115.100 118.844 -3.744 2
1 72 . 1 1 A 6 6 ASP H H 6 7.600 7.610 -0.010 2
1 73 . 1 1 A 6 6 ASP HA H 6 4.490 4.503 -0.013 2
1 76 . 1 1 A 6 6 ASP C C 6 175.700 176.107 -0.407 2
1 77 . 1 1 A 6 6 ASP CA C 6 54.700 54.706 -0.006 2
1 78 . 1 1 A 6 6 ASP CB C 6 42.000 41.004 0.996 2
1 79 . 1 1 A 6 6 ASP N N 6 117.000 117.923 -0.923 2
1 80 . 1 1 A 7 7 ALA H H 7 6.990 7.240 -0.250 2
1 81 . 1 1 A 7 7 ALA HA H 7 4.390 4.446 -0.056 2
1 85 . 1 1 A 7 7 ALA C C 7 175.300 177.065 -1.765 2
1 86 . 1 1 A 7 7 ALA CA C 7 51.600 52.322 -0.722 2
1 87 . 1 1 A 7 7 ALA CB C 7 19.500 19.832 -0.332 2
1 88 . 1 1 A 7 7 ALA N N 7 122.200 121.749 0.451 2
1 89 . 1 1 A 8 8 LYS H H 8 8.270 8.732 -0.462 2
1 90 . 1 1 A 8 8 LYS HA H 8 4.480 4.724 -0.244 2
1 99 . 1 1 A 8 8 LYS C C 8 175.600 176.191 -0.591 2
1 100 . 1 1 A 8 8 LYS CA C 8 53.800 54.644 -0.844 2
1 101 . 1 1 A 8 8 LYS CB C 8 34.600 34.750 -0.150 2
1 105 . 1 1 A 8 8 LYS N N 8 118.500 119.709 -1.209 2
1 106 . 1 1 A 9 9 CYS H H 9 8.400 8.606 -0.206 2
1 107 . 1 1 A 9 9 CYS HA H 9 3.630 4.289 -0.659 2
1 110 . 1 1 A 9 9 CYS C C 9 175.700 175.396 0.304 2
1 111 . 1 1 A 9 9 CYS CA C 9 60.300 60.340 -0.040 2
1 112 . 1 1 A 9 9 CYS CB C 9 26.700 27.286 -0.586 2
1 113 . 1 1 A 9 9 CYS N N 9 117.100 121.069 -3.969 2
1 114 . 1 1 A 10 10 GLY H H 10 8.950 8.954 -0.004 2
1 115 . 1 1 A 10 10 GLY HA2 H 10 3.790 3.867 -0.077 2
1 116 . 1 1 A 10 10 GLY HA3 H 10 4.350 3.975 0.375 2
1 117 . 1 1 A 10 10 GLY C C 10 174.600 173.999 0.601 2
1 118 . 1 1 A 10 10 GLY CA C 10 44.600 45.166 -0.566 2
1 119 . 1 1 A 10 10 GLY N N 10 114.200 112.869 1.331 2
1 120 . 1 1 A 11 11 GLN H H 11 7.750 7.498 0.252 2
1 121 . 1 1 A 11 11 GLN HA H 11 4.500 4.662 -0.162 2
1 128 . 1 1 A 11 11 GLN C C 11 174.200 174.964 -0.764 2
1 129 . 1 1 A 11 11 GLN CA C 11 56.000 54.669 1.331 2
1 130 . 1 1 A 11 11 GLN CB C 11 29.400 30.630 -1.230 2
1 132 . 1 1 A 11 11 GLN N N 11 118.900 119.557 -0.657 2
1 134 . 1 1 A 12 12 THR H H 12 8.380 8.700 -0.320 2
1 135 . 1 1 A 12 12 THR HA H 12 5.330 5.107 0.223 2
1 140 . 1 1 A 12 12 THR C C 12 174.100 174.412 -0.312 2
1 141 . 1 1 A 12 12 THR CA C 12 62.100 62.103 -0.003 2
1 142 . 1 1 A 12 12 THR CB C 12 69.600 70.001 -0.401 2
1 144 . 1 1 A 12 12 THR N N 12 116.600 117.640 -1.040 2
1 145 . 1 1 A 13 13 VAL H H 13 9.190 9.435 -0.245 2
1 146 . 1 1 A 13 13 VAL HA H 13 5.140 5.276 -0.136 2
1 154 . 1 1 A 13 13 VAL C C 13 173.200 174.055 -0.855 2
1 155 . 1 1 A 13 13 VAL CA C 13 57.300 59.181 -1.881 2
1 156 . 1 1 A 13 13 VAL CB C 13 35.100 35.347 -0.247 2
1 159 . 1 1 A 13 13 VAL N N 13 117.500 121.256 -3.756 2
1 160 . 1 1 A 14 14 LYS H H 14 9.000 9.057 -0.057 2
1 161 . 1 1 A 14 14 LYS HA H 14 5.350 5.183 0.167 2
1 170 . 1 1 A 14 14 LYS C C 14 176.900 175.679 1.221 2
1 171 . 1 1 A 14 14 LYS CA C 14 53.800 54.533 -0.733 2
1 172 . 1 1 A 14 14 LYS CB C 14 35.500 35.676 -0.176 2
1 176 . 1 1 A 14 14 LYS N N 14 120.300 121.923 -1.623 2
1 177 . 1 1 A 15 15 VAL H H 15 8.620 9.051 -0.431 2
1 178 . 1 1 A 15 15 VAL HA H 15 3.880 4.071 -0.191 2
1 186 . 1 1 A 15 15 VAL C C 15 176.700 176.861 -0.161 2
1 187 . 1 1 A 15 15 VAL CA C 15 64.300 63.577 0.723 2
1 188 . 1 1 A 15 15 VAL CB C 15 31.500 31.573 -0.073 2
1 191 . 1 1 A 15 15 VAL N N 15 123.100 125.789 -2.689 2
1 192 . 1 1 A 16 16 VAL H H 16 9.580 9.087 0.493 2
1 193 . 1 1 A 16 16 VAL HA H 16 4.100 4.434 -0.334 2
1 201 . 1 1 A 16 16 VAL C C 16 175.300 175.824 -0.524 2
1 202 . 1 1 A 16 16 VAL CA C 16 63.400 62.247 1.153 2
1 203 . 1 1 A 16 16 VAL CB C 16 33.700 33.449 0.251 2
1 206 . 1 1 A 16 16 VAL N N 16 130.100 121.474 8.626 2
1 207 . 1 1 A 17 17 LYS H H 17 7.490 7.625 -0.135 2
1 208 . 1 1 A 17 17 LYS HA H 17 4.380 4.837 -0.457 2
1 217 . 1 1 A 17 17 LYS C C 17 172.900 174.507 -1.607 2
1 218 . 1 1 A 17 17 LYS CA C 17 56.200 55.231 0.969 2
1 219 . 1 1 A 17 17 LYS CB C 17 35.500 36.292 -0.792 2
1 223 . 1 1 A 17 17 LYS N N 17 116.800 120.742 -3.942 2
1 224 . 1 1 A 18 18 LEU H H 18 8.520 8.929 -0.409 2
1 225 . 1 1 A 18 18 LEU HA H 18 4.890 4.942 -0.052 2
1 235 . 1 1 A 18 18 LEU C C 18 175.600 176.133 -0.533 2
1 236 . 1 1 A 18 18 LEU CA C 18 53.800 53.477 0.323 2
1 237 . 1 1 A 18 18 LEU CB C 18 42.500 43.534 -1.034 2
1 241 . 1 1 A 18 18 LEU N N 18 124.100 125.026 -0.926 2
1 242 . 1 1 A 19 19 HIS H H 19 8.790 9.027 -0.237 2
1 243 . 1 1 A 19 19 HIS HA H 19 4.620 4.698 -0.078 2
1 248 . 1 1 A 19 19 HIS C C 19 173.000 175.417 -2.417 2
1 249 . 1 1 A 19 19 HIS CA C 19 55.500 56.270 -0.770 2
1 250 . 1 1 A 19 19 HIS CB C 19 32.800 30.998 1.802 2
1 253 . 1 1 A 19 19 HIS N N 19 122.700 123.174 -0.474 2
1 254 . 1 1 A 20 20 GLY H H 20 8.100 8.316 -0.217 2
1 255 . 1 1 A 20 20 GLY HA2 H 20 3.920 4.032 -0.112 2
1 256 . 1 1 A 20 20 GLY HA3 H 20 4.510 4.038 0.472 2
1 257 . 1 1 A 20 20 GLY C C 20 174.500 173.749 0.751 2
1 258 . 1 1 A 20 20 GLY CA C 20 44.200 44.918 -0.718 2
1 259 . 1 1 A 20 20 GLY N N 20 103.400 108.435 -5.035 2
1 260 . 1 1 A 21 21 THR H H 21 7.750 8.497 -0.747 2
1 261 . 1 1 A 21 21 THR HA H 21 4.450 4.464 -0.014 2
1 266 . 1 1 A 21 21 THR C C 21 175.400 175.466 -0.066 2
1 267 . 1 1 A 21 21 THR CA C 21 60.800 62.256 -1.456 2
1 268 . 1 1 A 21 21 THR CB C 21 70.900 68.982 1.918 2
1 270 . 1 1 A 21 21 THR N N 21 108.600 114.135 -5.535 2
1 271 . 1 1 A 22 22 GLY H H 22 8.780 8.225 0.555 2
1 272 . 1 1 A 22 22 GLY HA2 H 22 3.750 3.936 -0.186 2
1 273 . 1 1 A 22 22 GLY HA3 H 22 4.030 3.937 0.093 2
1 274 . 1 1 A 22 22 GLY C C 22 176.200 175.517 0.683 2
1 275 . 1 1 A 22 22 GLY CA C 22 47.300 46.479 0.821 2
1 276 . 1 1 A 22 22 GLY N N 22 108.600 111.745 -3.145 2
1 277 . 1 1 A 23 23 ALA H H 23 8.480 8.288 0.192 2
1 278 . 1 1 A 23 23 ALA HA H 23 4.080 3.996 0.084 2
1 282 . 1 1 A 23 23 ALA C C 23 180.100 179.670 0.430 2
1 283 . 1 1 A 23 23 ALA CA C 23 54.700 54.733 -0.033 2
1 284 . 1 1 A 23 23 ALA CB C 23 18.400 18.622 -0.222 2
1 285 . 1 1 A 23 23 ALA N N 23 123.300 124.937 -1.637 2
1 286 . 1 1 A 24 24 LEU H H 24 7.830 8.098 -0.268 2
1 287 . 1 1 A 24 24 LEU HA H 24 4.120 4.041 0.079 2
1 297 . 1 1 A 24 24 LEU C C 24 178.600 178.969 -0.369 2
1 298 . 1 1 A 24 24 LEU CA C 24 57.800 57.676 0.124 2
1 299 . 1 1 A 24 24 LEU CB C 24 41.100 41.612 -0.512 2
1 303 . 1 1 A 24 24 LEU N N 24 120.400 119.592 0.808 2
1 304 . 1 1 A 25 25 LYS H H 25 7.960 8.305 -0.345 2
1 305 . 1 1 A 25 25 LYS HA H 25 3.750 3.895 -0.145 2
1 314 . 1 1 A 25 25 LYS C C 25 178.300 179.118 -0.818 2
1 315 . 1 1 A 25 25 LYS CA C 25 60.400 60.122 0.278 2
1 316 . 1 1 A 25 25 LYS CB C 25 32.000 32.217 -0.217 2
1 320 . 1 1 A 25 25 LYS N N 25 118.000 118.298 -0.298 2
1 321 . 1 1 A 26 26 ARG H H 26 7.890 8.164 -0.274 2
1 322 . 1 1 A 26 26 ARG HA H 26 3.970 3.968 0.002 2
1 329 . 1 1 A 26 26 ARG C C 26 177.700 178.727 -1.027 2
1 330 . 1 1 A 26 26 ARG CA C 26 58.700 59.421 -0.721 2
1 331 . 1 1 A 26 26 ARG CB C 26 30.000 29.869 0.131 2
1 334 . 1 1 A 26 26 ARG N N 26 117.100 119.685 -2.585 2
1 335 . 1 1 A 27 27 ARG H H 27 7.660 7.678 -0.018 2
1 336 . 1 1 A 27 27 ARG HA H 27 4.100 4.082 0.018 2
1 343 . 1 1 A 27 27 ARG C C 27 179.000 178.833 0.167 2
1 344 . 1 1 A 27 27 ARG CA C 27 59.100 58.585 0.515 2
1 345 . 1 1 A 27 27 ARG CB C 27 29.800 29.919 -0.119 2
1 348 . 1 1 A 27 27 ARG N N 27 118.600 119.414 -0.814 2
1 349 . 1 1 A 28 28 ILE H H 28 7.970 8.024 -0.054 2
1 350 . 1 1 A 28 28 ILE HA H 28 3.740 3.671 0.069 2
1 360 . 1 1 A 28 28 ILE C C 28 178.700 178.174 0.526 2
1 361 . 1 1 A 28 28 ILE CA C 28 64.800 65.010 -0.210 2
1 362 . 1 1 A 28 28 ILE CB C 28 38.100 37.785 0.315 2
1 366 . 1 1 A 28 28 ILE N N 28 119.400 119.952 -0.552 2
1 367 . 1 1 A 29 29 MET H H 29 8.420 8.341 0.079 2
1 368 . 1 1 A 29 29 MET HA H 29 4.370 4.560 -0.190 2
1 376 . 1 1 A 29 29 MET C C 29 181.400 178.016 3.384 2
1 377 . 1 1 A 29 29 MET CA C 29 59.100 58.341 0.759 2
1 378 . 1 1 A 29 29 MET CB C 29 32.800 31.929 0.871 2
1 381 . 1 1 A 29 29 MET N N 29 119.900 118.668 1.232 2
1 382 . 1 1 A 30 30 ASP H H 30 8.650 8.637 0.013 2
1 383 . 1 1 A 30 30 ASP HA H 30 4.440 4.390 0.050 2
1 386 . 1 1 A 30 30 ASP C C 30 178.200 178.086 0.114 2
1 387 . 1 1 A 30 30 ASP CA C 30 56.700 57.385 -0.685 2
1 388 . 1 1 A 30 30 ASP CB C 30 39.900 41.587 -1.687 2
1 389 . 1 1 A 30 30 ASP N N 30 121.800 120.499 1.301 2
1 390 . 1 1 A 31 31 MET H H 31 7.570 7.614 -0.044 2
1 391 . 1 1 A 31 31 MET HA H 31 4.290 4.441 -0.151 2
1 399 . 1 1 A 31 31 MET C C 31 175.700 176.227 -0.527 2
1 400 . 1 1 A 31 31 MET CA C 31 56.800 55.963 0.837 2
1 401 . 1 1 A 31 31 MET CB C 31 33.300 32.920 0.380 2
1 404 . 1 1 A 31 31 MET N N 31 117.500 116.313 1.187 2
1 405 . 1 1 A 32 32 GLY H H 32 7.990 7.907 0.083 2
1 406 . 1 1 A 32 32 GLY HA2 H 32 4.270 4.017 0.253 2
1 407 . 1 1 A 32 32 GLY HA3 H 32 3.630 4.023 -0.393 2
1 408 . 1 1 A 32 32 GLY C C 32 173.600 174.466 -0.866 2
1 409 . 1 1 A 32 32 GLY CA C 32 44.200 44.957 -0.757 2
1 410 . 1 1 A 32 32 GLY N N 32 104.400 105.873 -1.473 2
1 411 . 1 1 A 33 33 ILE H H 33 7.140 7.532 -0.392 2
1 412 . 1 1 A 33 33 ILE HA H 33 4.120 4.147 -0.027 2
1 422 . 1 1 A 33 33 ILE C C 33 172.400 175.064 -2.664 2
1 423 . 1 1 A 33 33 ILE CA C 33 61.700 60.929 0.771 2
1 424 . 1 1 A 33 33 ILE CB C 33 37.200 37.212 -0.012 2
1 428 . 1 1 A 33 33 ILE N N 33 120.800 122.710 -1.910 2
1 429 . 1 1 A 34 34 THR H H 34 6.930 8.596 -1.666 2
1 430 . 1 1 A 34 34 THR HA H 34 4.590 5.004 -0.414 2
1 435 . 1 1 A 34 34 THR C C 34 174.400 173.593 0.807 2
1 436 . 1 1 A 34 34 THR CA C 34 58.300 59.730 -1.430 2
1 437 . 1 1 A 34 34 THR CB C 34 72.200 71.231 0.969 2
1 439 . 1 1 A 34 34 THR N N 34 113.300 118.527 -5.227 2
1 440 . 1 1 A 35 35 ARG H H 35 8.760 8.474 0.286 2
1 441 . 1 1 A 35 35 ARG HA H 35 3.520 4.167 -0.647 2
1 448 . 1 1 A 35 35 ARG C C 35 176.800 176.624 0.176 2
1 449 . 1 1 A 35 35 ARG CA C 35 58.700 57.167 1.533 2
1 450 . 1 1 A 35 35 ARG CB C 35 29.700 30.086 -0.386 2
1 453 . 1 1 A 35 35 ARG N N 35 121.300 121.966 -0.666 2
1 454 . 1 1 A 36 36 GLY H H 36 8.950 9.292 -0.342 2
1 455 . 1 1 A 36 36 GLY HA2 H 36 4.460 3.991 0.469 2
1 456 . 1 1 A 36 36 GLY HA3 H 36 3.560 3.994 -0.434 2
1 457 . 1 1 A 36 36 GLY C C 36 173.900 174.394 -0.494 2
1 458 . 1 1 A 36 36 GLY CA C 36 44.700 45.194 -0.494 2
1 459 . 1 1 A 36 36 GLY N N 36 114.200 111.881 2.319 2
1 460 . 1 1 A 37 37 CYS H H 37 7.950 7.764 0.186 2
1 461 . 1 1 A 37 37 CYS HA H 37 4.550 4.651 -0.101 2
1 464 . 1 1 A 37 37 CYS C C 37 172.900 174.559 -1.659 2
1 465 . 1 1 A 37 37 CYS CA C 37 59.200 58.841 0.359 2
1 466 . 1 1 A 37 37 CYS CB C 37 28.000 29.036 -1.036 2
1 467 . 1 1 A 37 37 CYS N N 37 118.400 119.763 -1.363 2
1 468 . 1 1 A 38 38 GLU H H 38 8.540 8.655 -0.115 2
1 469 . 1 1 A 38 38 GLU HA H 38 5.160 4.961 0.199 2
1 474 . 1 1 A 38 38 GLU C C 38 176.000 175.722 0.278 2
1 475 . 1 1 A 38 38 GLU CA C 38 55.300 55.822 -0.522 2
1 476 . 1 1 A 38 38 GLU CB C 38 31.500 31.031 0.469 2
1 478 . 1 1 A 38 38 GLU N N 38 123.100 122.671 0.429 2
1 479 . 1 1 A 39 39 ILE H H 39 9.360 9.659 -0.299 2
1 480 . 1 1 A 39 39 ILE HA H 39 4.600 4.806 -0.206 2
1 490 . 1 1 A 39 39 ILE C C 39 173.700 174.158 -0.458 2
1 491 . 1 1 A 39 39 ILE CA C 39 60.500 60.327 0.173 2
1 492 . 1 1 A 39 39 ILE CB C 39 41.300 40.412 0.888 2
1 496 . 1 1 A 39 39 ILE N N 39 124.000 124.987 -0.987 2
1 497 . 1 1 A 40 40 TYR H H 40 8.540 8.863 -0.323 2
1 498 . 1 1 A 40 40 TYR HA H 40 5.340 5.144 0.196 2
1 505 . 1 1 A 40 40 TYR C C 40 175.000 174.510 0.490 2
1 506 . 1 1 A 40 40 TYR CA C 40 55.900 56.295 -0.395 2
1 507 . 1 1 A 40 40 TYR CB C 40 40.900 39.916 0.984 2
1 510 . 1 1 A 40 40 TYR N N 40 127.000 127.943 -0.943 2
1 511 . 1 1 A 41 41 ILE H H 41 7.850 8.594 -0.744 2
1 512 . 1 1 A 41 41 ILE HA H 41 3.910 4.010 -0.100 2
1 522 . 1 1 A 41 41 ILE C C 41 173.600 175.722 -2.122 2
1 523 . 1 1 A 41 41 ILE CA C 41 61.500 61.535 -0.035 2
1 524 . 1 1 A 41 41 ILE CB C 41 35.800 37.066 -1.266 2
1 528 . 1 1 A 41 41 ILE N N 41 127.800 127.730 0.070 2
1 529 . 1 1 A 42 42 ARG H H 42 8.460 9.008 -0.548 2
1 530 . 1 1 A 42 42 ARG HA H 42 4.110 4.242 -0.132 2
1 537 . 1 1 A 42 42 ARG C C 42 176.500 175.759 0.741 2
1 538 . 1 1 A 42 42 ARG CA C 42 57.700 57.607 0.093 2
1 539 . 1 1 A 42 42 ARG CB C 42 31.400 31.355 0.045 2
1 542 . 1 1 A 42 42 ARG N N 42 128.100 128.824 -0.724 2
1 543 . 1 1 A 43 43 LYS H H 43 7.920 7.592 0.328 2
1 544 . 1 1 A 43 43 LYS HA H 43 4.530 4.768 -0.238 2
1 553 . 1 1 A 43 43 LYS C C 43 173.100 174.240 -1.140 2
1 554 . 1 1 A 43 43 LYS CA C 43 56.400 55.558 0.842 2
1 555 . 1 1 A 43 43 LYS CB C 43 36.100 35.964 0.136 2
1 559 . 1 1 A 43 43 LYS N N 43 116.400 117.841 -1.441 2
1 560 . 1 1 A 44 44 VAL H H 44 8.450 8.920 -0.470 2
1 561 . 1 1 A 44 44 VAL HA H 44 4.260 4.630 -0.370 2
1 569 . 1 1 A 44 44 VAL C C 44 175.000 175.323 -0.324 2
1 570 . 1 1 A 44 44 VAL CA C 44 61.500 60.880 0.620 2
1 571 . 1 1 A 44 44 VAL CB C 44 34.200 33.851 0.349 2
1 574 . 1 1 A 44 44 VAL N N 44 123.900 125.592 -1.692 2
1 575 . 1 1 A 45 45 ALA H H 45 7.550 8.259 -0.709 2
1 576 . 1 1 A 45 45 ALA HA H 45 4.480 4.479 0.001 2
1 580 . 1 1 A 45 45 ALA CA C 45 51.500 50.559 0.941 2
1 581 . 1 1 A 45 45 ALA CB C 45 17.600 17.911 -0.311 2
1 582 . 1 1 A 45 45 ALA N N 45 129.600 130.216 -0.616 2
1 583 . 1 1 A 46 46 PRO HA H 46 4.290 4.397 -0.107 2
1 590 . 1 1 A 46 46 PRO C C 46 177.800 177.522 0.278 2
1 591 . 1 1 A 46 46 PRO CA C 46 65.500 64.568 0.932 2
1 592 . 1 1 A 46 46 PRO CB C 46 31.600 31.778 -0.178 2
1 595 . 1 1 A 47 47 LEU H H 47 8.330 7.809 0.521 2
1 596 . 1 1 A 47 47 LEU HA H 47 4.330 4.318 0.012 2
1 606 . 1 1 A 47 47 LEU C C 47 178.000 177.261 0.739 2
1 607 . 1 1 A 47 47 LEU CA C 47 55.300 55.052 0.248 2
1 608 . 1 1 A 47 47 LEU CB C 47 40.300 42.489 -2.188 2
1 612 . 1 1 A 47 47 LEU N N 47 115.100 116.466 -1.366 2
1 613 . 1 1 A 48 48 GLY H H 48 8.420 8.690 -0.270 2
1 614 . 1 1 A 48 48 GLY HA2 H 48 4.090 3.973 0.117 2
1 615 . 1 1 A 48 48 GLY HA3 H 48 3.490 3.975 -0.485 2
1 616 . 1 1 A 48 48 GLY C C 48 171.900 173.134 -1.234 2
1 617 . 1 1 A 48 48 GLY CA C 48 45.500 45.442 0.058 2
1 618 . 1 1 A 48 48 GLY N N 48 107.400 107.740 -0.340 2
1 619 . 1 1 A 49 49 ASP H H 49 6.850 7.863 -1.013 2
1 620 . 1 1 A 49 49 ASP HA H 49 5.050 5.096 -0.046 2
1 623 . 1 1 A 49 49 ASP CA C 49 50.200 51.315 -1.115 2
1 624 . 1 1 A 49 49 ASP CB C 49 45.300 43.090 2.210 2
1 625 . 1 1 A 49 49 ASP N N 49 116.000 119.708 -3.708 2
1 626 . 1 1 A 50 50 PRO HA H 50 5.450 4.681 0.769 2
1 633 . 1 1 A 50 50 PRO C C 50 174.900 175.593 -0.692 2
1 634 . 1 1 A 50 50 PRO CA C 50 63.900 62.301 1.599 2
1 635 . 1 1 A 50 50 PRO CB C 50 35.600 32.799 2.801 2
1 638 . 1 1 A 51 51 ILE H H 51 8.980 8.846 0.134 2
1 639 . 1 1 A 51 51 ILE HA H 51 4.400 4.553 -0.153 2
1 649 . 1 1 A 51 51 ILE C C 51 174.500 175.051 -0.551 2
1 650 . 1 1 A 51 51 ILE CA C 51 61.100 60.147 0.953 2
1 651 . 1 1 A 51 51 ILE CB C 51 40.900 39.150 1.750 2
1 655 . 1 1 A 51 51 ILE N N 51 118.100 121.091 -2.991 2
1 656 . 1 1 A 52 52 GLN H H 52 9.060 9.160 -0.100 2
1 657 . 1 1 A 52 52 GLN HA H 52 5.160 4.981 0.178 2
1 664 . 1 1 A 52 52 GLN C C 52 175.800 175.613 0.187 2
1 665 . 1 1 A 52 52 GLN CA C 52 54.900 55.472 -0.572 2
1 666 . 1 1 A 52 52 GLN CB C 52 29.600 29.792 -0.192 2
1 668 . 1 1 A 52 52 GLN N N 52 126.100 126.826 -0.726 2
1 670 . 1 1 A 53 53 ILE H H 53 9.080 9.232 -0.152 2
1 671 . 1 1 A 53 53 ILE HA H 53 5.440 5.013 0.427 2
1 681 . 1 1 A 53 53 ILE C C 53 174.000 173.904 0.096 2
1 682 . 1 1 A 53 53 ILE CA C 53 58.700 58.911 -0.211 2
1 683 . 1 1 A 53 53 ILE CB C 53 41.500 41.593 -0.093 2
1 687 . 1 1 A 53 53 ILE N N 53 117.600 120.047 -2.447 2
1 688 . 1 1 A 54 54 ASN H H 54 9.360 9.007 0.353 2
1 689 . 1 1 A 54 54 ASN HA H 54 5.840 5.496 0.344 2
1 694 . 1 1 A 54 54 ASN C C 54 174.800 174.230 0.570 2
1 695 . 1 1 A 54 54 ASN CA C 54 52.300 52.054 0.246 2
1 696 . 1 1 A 54 54 ASN CB C 54 42.200 40.267 1.933 2
1 697 . 1 1 A 54 54 ASN N N 54 120.100 122.225 -2.125 2
1 699 . 1 1 A 55 55 VAL H H 55 8.900 9.020 -0.120 2
1 700 . 1 1 A 55 55 VAL HA H 55 4.480 4.584 -0.104 2
1 708 . 1 1 A 55 55 VAL C C 55 174.400 175.865 -1.465 2
1 709 . 1 1 A 55 55 VAL CA C 55 60.800 61.075 -0.275 2
1 710 . 1 1 A 55 55 VAL CB C 55 34.300 34.237 0.063 2
1 713 . 1 1 A 55 55 VAL N N 55 124.400 126.121 -1.721 2
1 714 . 1 1 A 56 56 ARG H H 56 9.680 9.447 0.233 2
1 715 . 1 1 A 56 56 ARG HA H 56 3.880 4.002 -0.122 2
1 722 . 1 1 A 56 56 ARG C C 56 175.000 176.279 -1.278 2
1 723 . 1 1 A 56 56 ARG CA C 56 57.200 57.608 -0.408 2
1 724 . 1 1 A 56 56 ARG CB C 56 28.400 28.343 0.057 2
1 727 . 1 1 A 56 56 ARG N N 56 125.100 127.254 -2.154 2
1 728 . 1 1 A 57 57 GLY H H 57 8.130 8.424 -0.294 2
1 729 . 1 1 A 57 57 GLY HA2 H 57 4.130 3.819 0.311 2
1 730 . 1 1 A 57 57 GLY HA3 H 57 3.610 3.883 -0.273 2
1 731 . 1 1 A 57 57 GLY C C 57 174.300 173.460 0.840 2
1 732 . 1 1 A 57 57 GLY CA C 57 45.300 45.351 -0.051 2
1 733 . 1 1 A 57 57 GLY N N 57 103.500 105.745 -2.245 2
1 734 . 1 1 A 58 58 TYR H H 58 8.180 8.024 0.156 2
1 735 . 1 1 A 58 58 TYR HA H 58 4.750 4.700 0.050 2
1 742 . 1 1 A 58 58 TYR C C 58 174.500 174.920 -0.420 2
1 743 . 1 1 A 58 58 TYR CA C 58 56.600 57.503 -0.903 2
1 744 . 1 1 A 58 58 TYR CB C 58 39.500 40.426 -0.926 2
1 747 . 1 1 A 58 58 TYR N N 58 121.300 120.240 1.060 2
1 748 . 1 1 A 59 59 GLU H H 59 8.480 8.709 -0.229 2
1 749 . 1 1 A 59 59 GLU HA H 59 5.120 4.934 0.186 2
1 754 . 1 1 A 59 59 GLU C C 59 178.400 175.674 2.726 2
1 755 . 1 1 A 59 59 GLU CA C 59 55.200 55.958 -0.757 2
1 756 . 1 1 A 59 59 GLU CB C 59 30.400 30.561 -0.161 2
1 758 . 1 1 A 59 59 GLU N N 59 122.400 123.626 -1.226 2
1 759 . 1 1 A 60 60 LEU H H 60 8.900 9.585 -0.685 2
1 760 . 1 1 A 60 60 LEU HA H 60 4.830 5.076 -0.246 2
1 770 . 1 1 A 60 60 LEU C C 60 175.100 175.723 -0.623 2
1 771 . 1 1 A 60 60 LEU CA C 60 53.800 53.401 0.399 2
1 772 . 1 1 A 60 60 LEU CB C 60 46.200 44.719 1.481 2
1 776 . 1 1 A 60 60 LEU N N 60 124.600 126.766 -2.166 2
1 777 . 1 1 A 61 61 SER H H 61 8.390 8.940 -0.550 2
1 778 . 1 1 A 61 61 SER HA H 61 5.150 5.169 -0.019 2
1 781 . 1 1 A 61 61 SER C C 61 173.300 173.160 0.140 2
1 782 . 1 1 A 61 61 SER CA C 61 56.600 57.406 -0.806 2
1 783 . 1 1 A 61 61 SER CB C 61 63.900 64.192 -0.292 2
1 784 . 1 1 A 61 61 SER N N 61 116.100 119.114 -3.014 2
1 785 . 1 1 A 62 62 LEU H H 62 9.190 9.206 -0.016 2
1 786 . 1 1 A 62 62 LEU HA H 62 4.700 5.032 -0.332 2
1 796 . 1 1 A 62 62 LEU C C 62 175.800 176.169 -0.369 2
1 797 . 1 1 A 62 62 LEU CA C 62 53.000 53.405 -0.405 2
1 798 . 1 1 A 62 62 LEU CB C 62 45.900 44.658 1.242 2
1 802 . 1 1 A 62 62 LEU N N 62 126.800 128.642 -1.842 2
1 803 . 1 1 A 63 63 ARG H H 63 8.670 8.761 -0.091 2
1 804 . 1 1 A 63 63 ARG HA H 63 4.640 4.431 0.209 2
1 811 . 1 1 A 63 63 ARG C C 63 176.000 177.550 -1.550 2
1 812 . 1 1 A 63 63 ARG CA C 63 53.700 56.159 -2.459 2
1 813 . 1 1 A 63 63 ARG CB C 63 29.100 31.180 -2.080 2
1 816 . 1 1 A 63 63 ARG N N 63 120.600 124.130 -3.530 2
1 817 . 1 1 A 64 64 LYS H H 64 8.900 9.031 -0.131 2
1 818 . 1 1 A 64 64 LYS HA H 64 3.800 3.951 -0.151 2
1 827 . 1 1 A 64 64 LYS C C 64 177.100 178.301 -1.201 2
1 828 . 1 1 A 64 64 LYS CA C 64 60.200 59.332 0.868 2
1 829 . 1 1 A 64 64 LYS CB C 64 32.300 32.002 0.298 2
1 833 . 1 1 A 64 64 LYS N N 64 124.600 124.189 0.411 2
1 834 . 1 1 A 65 65 SER H H 65 8.380 8.103 0.277 2
1 835 . 1 1 A 65 65 SER HA H 65 4.130 4.176 -0.046 2
1 838 . 1 1 A 65 65 SER C C 65 176.000 176.712 -0.712 2
1 839 . 1 1 A 65 65 SER CA C 65 60.300 61.772 -1.472 2
1 840 . 1 1 A 65 65 SER CB C 65 61.900 62.708 -0.808 2
1 841 . 1 1 A 65 65 SER N N 65 110.900 116.775 -5.874 2
1 842 . 1 1 A 66 66 ALA H H 66 6.910 7.807 -0.897 2
1 843 . 1 1 A 66 66 ALA HA H 66 4.290 4.148 0.142 2
1 847 . 1 1 A 66 66 ALA C C 66 178.800 179.525 -0.725 2
1 848 . 1 1 A 66 66 ALA CA C 66 54.000 54.918 -0.918 2
1 849 . 1 1 A 66 66 ALA CB C 66 18.800 18.417 0.383 2
1 850 . 1 1 A 66 66 ALA N N 66 122.600 123.533 -0.933 2
1 851 . 1 1 A 67 67 ALA H H 67 8.050 8.037 0.013 2
1 852 . 1 1 A 67 67 ALA HA H 67 3.850 3.989 -0.139 2
1 856 . 1 1 A 67 67 ALA C C 67 178.800 179.374 -0.574 2
1 857 . 1 1 A 67 67 ALA CA C 67 54.900 55.010 -0.110 2
1 858 . 1 1 A 67 67 ALA CB C 67 18.700 18.265 0.435 2
1 859 . 1 1 A 67 67 ALA N N 67 118.800 120.188 -1.388 2
1 860 . 1 1 A 68 68 GLU H H 68 7.910 8.081 -0.171 2
1 861 . 1 1 A 68 68 GLU HA H 68 4.150 4.196 -0.046 2
1 866 . 1 1 A 68 68 GLU C C 68 175.900 177.483 -1.583 2
1 867 . 1 1 A 68 68 GLU CA C 68 57.200 58.141 -0.941 2
1 868 . 1 1 A 68 68 GLU CB C 68 29.800 29.289 0.511 2
1 870 . 1 1 A 68 68 GLU N N 68 113.100 117.195 -4.095 2
1 871 . 1 1 A 69 69 MET H H 69 7.360 7.905 -0.545 2
1 872 . 1 1 A 69 69 MET HA H 69 4.590 4.558 0.032 2
1 880 . 1 1 A 69 69 MET C C 69 174.400 175.601 -1.201 2
1 881 . 1 1 A 69 69 MET CA C 69 53.800 55.359 -1.559 2
1 882 . 1 1 A 69 69 MET CB C 69 32.400 33.120 -0.720 2
1 885 . 1 1 A 69 69 MET N N 69 114.100 116.977 -2.877 2
1 886 . 1 1 A 70 70 ILE H H 70 7.310 7.291 0.019 2
1 887 . 1 1 A 70 70 ILE HA H 70 4.260 4.280 -0.020 2
1 897 . 1 1 A 70 70 ILE C C 70 174.100 174.915 -0.815 2
1 898 . 1 1 A 70 70 ILE CA C 70 60.900 60.935 -0.035 2
1 899 . 1 1 A 70 70 ILE CB C 70 38.700 38.475 0.225 2
1 903 . 1 1 A 70 70 ILE N N 70 120.300 120.557 -0.257 2
1 904 . 1 1 A 71 71 GLU H H 71 8.910 9.056 -0.146 2
1 905 . 1 1 A 71 71 GLU HA H 71 4.750 4.975 -0.225 2
1 910 . 1 1 A 71 71 GLU C C 71 177.100 176.325 0.775 2
1 911 . 1 1 A 71 71 GLU CA C 71 55.900 55.728 0.172 2
1 912 . 1 1 A 71 71 GLU CB C 71 30.600 31.043 -0.443 2
1 914 . 1 1 A 71 71 GLU N N 71 129.500 128.026 1.474 2
1 915 . 1 1 A 72 72 VAL H H 72 8.880 9.100 -0.220 2
1 916 . 1 1 A 72 72 VAL HA H 72 5.520 5.337 0.183 2
1 924 . 1 1 A 72 72 VAL C C 72 173.200 174.025 -0.825 2
1 925 . 1 1 A 72 72 VAL CA C 72 58.500 58.901 -0.401 2
1 926 . 1 1 A 72 72 VAL CB C 72 36.200 35.848 0.352 2
1 929 . 1 1 A 72 72 VAL N N 72 119.400 120.613 -1.213 2
1 930 . 1 1 A 73 73 GLU H H 73 8.720 9.111 -0.391 2
1 931 . 1 1 A 73 73 GLU HA H 73 4.750 4.942 -0.192 2
1 936 . 1 1 A 73 73 GLU C C 73 175.300 174.998 0.302 2
1 937 . 1 1 A 73 73 GLU CA C 73 54.000 54.650 -0.650 2
1 938 . 1 1 A 73 73 GLU CB C 73 33.300 33.237 0.063 2
1 940 . 1 1 A 73 73 GLU N N 73 116.600 121.116 -4.516 2
1 941 . 1 1 A 74 74 LEU H H 74 8.780 8.439 0.341 2
1 942 . 1 1 A 74 74 LEU HA H 74 4.330 4.552 -0.222 2
1 952 . 1 1 A 74 74 LEU C C 74 176.400 176.392 0.008 2
1 953 . 1 1 A 74 74 LEU CA C 74 55.400 54.315 1.085 2
1 954 . 1 1 A 74 74 LEU CB C 74 42.600 42.419 0.181 2
1 958 . 1 1 A 74 74 LEU N N 74 124.100 126.449 -2.349 2
1 959 . 1 1 A 75 75 GLU H H 75 8.450 8.559 -0.109 2
1 960 . 1 1 A 75 75 GLU HA H 75 4.350 4.294 0.056 2
1 965 . 1 1 A 75 75 GLU C C 75 175.700 176.050 -0.350 2
1 966 . 1 1 A 75 75 GLU CA C 75 55.800 56.671 -0.871 2
1 967 . 1 1 A 75 75 GLU CB C 75 30.500 29.873 0.627 2
1 969 . 1 1 A 75 75 GLU N N 75 123.500 125.106 -1.607 2
1 970 . 1 1 A 76 76 HIS H H 76 8.500 8.446 0.054 2
1 971 . 1 1 A 76 76 HIS HA H 76 4.590 4.790 -0.200 2
1 976 . 1 1 A 76 76 HIS C C 76 173.800 174.744 -0.944 2
1 977 . 1 1 A 76 76 HIS CA C 76 55.700 55.394 0.306 2
1 978 . 1 1 A 76 76 HIS CB C 76 30.200 30.409 -0.209 2
1 981 . 1 1 A 76 76 HIS N N 76 120.800 122.613 -1.813 2
1 982 . 1 1 A 77 77 HIS H H 77 8.100 8.491 -0.391 2
1 983 . 1 1 A 77 77 HIS HA H 77 4.610 4.683 -0.073 2
1 988 . 1 1 A 77 77 HIS C C 77 180.000 174.946 5.054 2
1 989 . 1 1 A 77 77 HIS CA C 77 56.400 55.828 0.572 2
1 990 . 1 1 A 77 77 HIS CB C 77 29.900 30.676 -0.776 2
1 993 . 1 1 A 77 77 HIS N N 77 125.100 121.232 3.868 2
1 994 . 1 1 A 78 78 HIS H H 78 8.250 8.529 -0.279 2
1 995 . 1 1 A 78 78 HIS HA H 78 4.620 4.687 -0.067 2
1 1000 . 1 1 A 78 78 HIS C C 78 180.000 174.529 5.471 2
1 1001 . 1 1 A 78 78 HIS CA C 78 56.400 55.579 0.821 2
1 1002 . 1 1 A 78 78 HIS CB C 78 29.900 30.544 -0.644 2
1 1005 . 1 1 A 78 78 HIS N N 78 119.400 119.675 -0.275 2
1 1006 . 1 1 A 79 79 HIS H H 79 8.250 8.489 -0.239 2
1 1007 . 1 1 A 79 79 HIS HA H 79 4.620 4.653 -0.033 2
1 1012 . 1 1 A 79 79 HIS C C 79 180.000 174.575 5.425 2
1 1013 . 1 1 A 79 79 HIS CA C 79 56.400 55.563 0.837 2
1 1014 . 1 1 A 79 79 HIS CB C 79 29.900 30.304 -0.404 2
1 1017 . 1 1 A 79 79 HIS N N 79 119.400 120.481 -1.081 2
1 1018 . 1 1 A 80 80 HIS H H 80 8.250 8.410 -0.160 2
1 1019 . 1 1 A 80 80 HIS HA H 80 4.620 4.617 0.003 2
1 1024 . 1 1 A 80 80 HIS C C 80 180.000 174.222 5.778 2
1 1025 . 1 1 A 80 80 HIS CA C 80 56.400 56.447 -0.047 2
1 1026 . 1 1 A 80 80 HIS CB C 80 29.900 30.944 -1.044 2
1 1029 . 1 1 A 80 80 HIS N N 80 119.400 121.169 -1.770 2
stop_
save_