data_16312_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16312
_Entry.PDB_ID 2KJ5
_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 5 . 1 1 1 A 2 2 ALA H H 2 8.190 8.579 -0.389 1
1 6 . 1 1 1 A 2 2 ALA HA H 2 4.510 4.097 0.413 1
1 10 . 1 1 1 A 2 2 ALA CA C 2 51.900 54.338 -2.438 1
1 11 . 1 1 1 A 2 2 ALA CB C 2 19.500 18.306 1.194 1
1 12 . 1 1 1 A 2 2 ALA N N 2 124.100 122.195 1.905 1
1 13 . 1 1 1 A 3 3 GLU H H 3 8.740 8.814 -0.074 1
1 14 . 1 1 1 A 3 3 GLU HA H 3 4.380 4.087 0.293 1
1 19 . 1 1 1 A 3 3 GLU CA C 3 56.000 59.630 -3.630 1
1 20 . 1 1 1 A 3 3 GLU CB C 3 29.900 30.023 -0.123 1
1 22 . 1 1 1 A 3 3 GLU N N 3 120.700 118.777 1.923 1
1 23 . 1 1 1 A 4 4 LYS H H 4 8.580 7.736 0.844 1
1 24 . 1 1 1 A 4 4 LYS HA H 4 4.280 4.581 -0.301 1
1 33 . 1 1 1 A 4 4 LYS CA C 4 56.600 57.249 -0.649 1
1 34 . 1 1 1 A 4 4 LYS CB C 4 32.600 34.651 -2.051 1
1 38 . 1 1 1 A 4 4 LYS N N 4 122.500 115.386 7.114 1
1 39 . 1 1 1 A 5 5 ASN H H 5 8.560 8.200 0.360 1
1 40 . 1 1 1 A 5 5 ASN HA H 5 4.700 5.039 -0.339 1
1 45 . 1 1 1 A 5 5 ASN CA C 5 53.200 52.467 0.733 1
1 46 . 1 1 1 A 5 5 ASN CB C 5 38.900 39.589 -0.689 1
1 47 . 1 1 1 A 5 5 ASN N N 5 119.500 116.001 3.499 1
1 49 . 1 1 1 A 6 6 ALA H H 6 8.210 8.052 0.158 1
1 50 . 1 1 1 A 6 6 ALA HA H 6 4.520 4.406 0.114 1
1 54 . 1 1 1 A 6 6 ALA CA C 6 51.800 51.275 0.525 1
1 55 . 1 1 1 A 6 6 ALA CB C 6 19.600 18.863 0.737 1
1 56 . 1 1 1 A 6 6 ALA N N 6 124.100 121.429 2.671 1
1 57 . 1 1 1 A 7 7 TYR H H 7 8.740 7.066 1.674 1
1 58 . 1 1 1 A 7 7 TYR HA H 7 4.700 5.284 -0.584 1
1 65 . 1 1 1 A 7 7 TYR CA C 7 58.900 55.709 3.191 1
1 66 . 1 1 1 A 7 7 TYR CB C 7 40.300 41.365 -1.065 1
1 69 . 1 1 1 A 7 7 TYR N N 7 121.400 115.897 5.503 1
1 70 . 1 1 1 A 8 8 THR H H 8 8.170 8.974 -0.804 1
1 71 . 1 1 1 A 8 8 THR HA H 8 5.220 4.727 0.493 1
1 76 . 1 1 1 A 8 8 THR CA C 8 59.800 60.486 -0.686 1
1 77 . 1 1 1 A 8 8 THR CB C 8 71.600 71.361 0.239 1
1 79 . 1 1 1 A 8 8 THR N N 8 113.700 114.385 -0.685 1
1 80 . 1 1 1 A 9 9 VAL H H 9 8.990 8.796 0.194 1
1 81 . 1 1 1 A 9 9 VAL HA H 9 3.370 4.026 -0.656 1
1 89 . 1 1 1 A 9 9 VAL CA C 9 66.700 64.597 2.103 1
1 90 . 1 1 1 A 9 9 VAL CB C 9 30.200 31.714 -1.514 1
1 93 . 1 1 1 A 9 9 VAL N N 9 121.400 122.550 -1.150 1
1 94 . 1 1 1 A 10 10 ALA H H 10 9.340 8.045 1.295 1
1 95 . 1 1 1 A 10 10 ALA HA H 10 3.720 3.949 -0.229 1
1 99 . 1 1 1 A 10 10 ALA CA C 10 55.800 55.548 0.252 1
1 100 . 1 1 1 A 10 10 ALA CB C 10 18.200 17.873 0.327 1
1 101 . 1 1 1 A 10 10 ALA N N 10 122.000 123.991 -1.991 1
1 102 . 1 1 1 A 11 11 GLN H H 11 7.330 7.825 -0.495 1
1 103 . 1 1 1 A 11 11 GLN HA H 11 4.050 4.090 -0.040 1
1 110 . 1 1 1 A 11 11 GLN CA C 11 58.400 58.641 -0.241 1
1 111 . 1 1 1 A 11 11 GLN CB C 11 28.700 28.530 0.170 1
1 113 . 1 1 1 A 11 11 GLN N N 11 115.300 117.862 -2.562 1
1 115 . 1 1 1 A 12 12 LEU H H 12 8.510 8.448 0.062 1
1 116 . 1 1 1 A 12 12 LEU HA H 12 4.200 4.242 -0.042 1
1 126 . 1 1 1 A 12 12 LEU CA C 12 57.600 57.781 -0.181 1
1 127 . 1 1 1 A 12 12 LEU CB C 12 41.700 41.640 0.060 1
1 131 . 1 1 1 A 12 12 LEU N N 12 121.500 121.660 -0.160 1
1 132 . 1 1 1 A 13 13 ALA H H 13 9.160 8.436 0.724 1
1 133 . 1 1 1 A 13 13 ALA HA H 13 3.990 4.105 -0.115 1
1 137 . 1 1 1 A 13 13 ALA CA C 13 55.400 55.382 0.018 1
1 138 . 1 1 1 A 13 13 ALA CB C 13 17.700 18.019 -0.319 1
1 139 . 1 1 1 A 13 13 ALA N N 13 121.000 120.660 0.340 1
1 140 . 1 1 1 A 14 14 ASP H H 14 7.920 8.113 -0.193 1
1 141 . 1 1 1 A 14 14 ASP HA H 14 4.480 4.345 0.135 1
1 144 . 1 1 1 A 14 14 ASP CA C 14 57.200 57.822 -0.622 1
1 145 . 1 1 1 A 14 14 ASP CB C 14 39.500 41.333 -1.833 1
1 146 . 1 1 1 A 14 14 ASP N N 14 117.400 118.578 -1.178 1
1 147 . 1 1 1 A 15 15 GLU H H 15 8.210 7.704 0.506 1
1 148 . 1 1 1 A 15 15 GLU HA H 15 4.110 4.014 0.096 1
1 153 . 1 1 1 A 15 15 GLU CA C 15 59.800 59.558 0.242 1
1 154 . 1 1 1 A 15 15 GLU CB C 15 30.100 29.590 0.510 1
1 156 . 1 1 1 A 15 15 GLU N N 15 122.500 119.427 3.073 1
1 157 . 1 1 1 A 16 16 TYR H H 16 9.230 8.882 0.348 1
1 158 . 1 1 1 A 16 16 TYR HA H 16 3.180 4.216 -1.036 1
1 165 . 1 1 1 A 16 16 TYR CA C 16 61.100 61.304 -0.204 1
1 166 . 1 1 1 A 16 16 TYR CB C 16 38.300 37.360 0.940 1
1 169 . 1 1 1 A 16 16 TYR N N 16 119.400 120.879 -1.479 1
1 170 . 1 1 1 A 17 17 PHE H H 17 8.700 8.330 0.370 1
1 171 . 1 1 1 A 17 17 PHE HA H 17 3.480 3.873 -0.393 1
1 178 . 1 1 1 A 17 17 PHE CA C 17 61.600 61.238 0.362 1
1 179 . 1 1 1 A 17 17 PHE CB C 17 39.300 39.089 0.211 1
1 182 . 1 1 1 A 17 17 PHE N N 17 118.400 120.578 -2.178 1
1 183 . 1 1 1 A 18 18 GLU H H 18 8.280 7.938 0.342 1
1 184 . 1 1 1 A 18 18 GLU HA H 18 3.840 3.956 -0.116 1
1 189 . 1 1 1 A 18 18 GLU CA C 18 58.800 59.226 -0.426 1
1 190 . 1 1 1 A 18 18 GLU CB C 18 29.000 29.270 -0.270 1
1 192 . 1 1 1 A 18 18 GLU N N 18 118.500 119.202 -0.702 1
1 193 . 1 1 1 A 19 19 ARG H H 19 8.350 7.582 0.768 1
1 194 . 1 1 1 A 19 19 ARG HA H 19 4.200 4.185 0.015 1
1 202 . 1 1 1 A 19 19 ARG CA C 19 57.300 57.341 -0.041 1
1 203 . 1 1 1 A 19 19 ARG CB C 19 30.900 30.898 0.002 1
1 206 . 1 1 1 A 19 19 ARG N N 19 114.300 118.694 -4.394 1
1 208 . 1 1 1 A 20 20 MET H H 20 7.960 8.028 -0.068 1
1 209 . 1 1 1 A 20 20 MET HA H 20 4.610 4.007 0.603 1
1 217 . 1 1 1 A 20 20 MET CA C 20 54.100 57.215 -3.115 1
1 218 . 1 1 1 A 20 20 MET CB C 20 31.800 31.900 -0.100 1
1 221 . 1 1 1 A 20 20 MET N N 20 112.400 118.236 -5.836 1
1 222 . 1 1 1 A 21 21 ILE H H 21 6.970 6.858 0.112 1
1 223 . 1 1 1 A 21 21 ILE HA H 21 4.050 3.673 0.377 1
1 233 . 1 1 1 A 21 21 ILE CA C 21 59.800 62.868 -3.068 1
1 234 . 1 1 1 A 21 21 ILE CB C 21 35.900 37.110 -1.210 1
1 238 . 1 1 1 A 21 21 ILE N N 21 117.900 117.841 0.059 1
1 239 . 1 1 1 A 22 22 ALA H H 22 7.700 7.477 0.223 1
1 240 . 1 1 1 A 22 22 ALA HA H 22 3.600 3.720 -0.120 1
1 244 . 1 1 1 A 22 22 ALA CA C 22 53.900 53.108 0.792 1
1 245 . 1 1 1 A 22 22 ALA CB C 22 18.000 18.472 -0.472 1
1 246 . 1 1 1 A 22 22 ALA N N 22 123.500 123.947 -0.447 1
1 247 . 1 1 1 A 23 23 GLY H H 23 8.460 8.015 0.445 1
1 248 . 1 1 1 A 23 23 GLY HA2 H 23 3.960 3.655 0.305 1
1 249 . 1 1 1 A 23 23 GLY HA3 H 23 3.820 3.732 0.088 1
1 250 . 1 1 1 A 23 23 GLY CA C 23 45.600 46.639 -1.039 1
1 251 . 1 1 1 A 23 23 GLY N N 23 109.600 106.871 2.729 1
1 252 . 1 1 1 A 24 24 ARG H H 24 7.830 7.319 0.511 1
1 253 . 1 1 1 A 24 24 ARG HA H 24 4.440 4.743 -0.303 1
1 261 . 1 1 1 A 24 24 ARG CA C 24 56.700 55.630 1.070 1
1 262 . 1 1 1 A 24 24 ARG CB C 24 32.400 32.722 -0.322 1
1 265 . 1 1 1 A 24 24 ARG N N 24 118.400 117.806 0.594 1
1 267 . 1 1 1 A 25 25 TRP H H 25 8.240 8.674 -0.434 1
1 268 . 1 1 1 A 25 25 TRP HA H 25 4.640 4.868 -0.228 1
1 277 . 1 1 1 A 25 25 TRP CA C 25 56.900 56.941 -0.041 1
1 278 . 1 1 1 A 25 25 TRP CB C 25 31.400 31.139 0.261 1
1 284 . 1 1 1 A 25 25 TRP N N 25 121.500 126.280 -4.780 1
1 286 . 1 1 1 A 26 26 LYS H H 26 7.890 6.636 1.254 1
1 287 . 1 1 1 A 26 26 LYS HA H 26 3.910 3.144 0.766 1
1 296 . 1 1 1 A 26 26 LYS CA C 26 56.800 57.060 -0.260 1
1 297 . 1 1 1 A 26 26 LYS CB C 26 32.200 31.706 0.494 1
1 301 . 1 1 1 A 26 26 LYS N N 26 122.500 119.765 2.735 1
1 302 . 1 1 1 A 27 27 HIS H H 27 7.840 7.998 -0.158 1
1 303 . 1 1 1 A 27 27 HIS HA H 27 5.230 5.057 0.173 1
1 307 . 1 1 1 A 27 27 HIS CA C 27 53.200 53.015 0.185 1
1 308 . 1 1 1 A 27 27 HIS CB C 27 28.200 29.778 -1.578 1
1 310 . 1 1 1 A 27 27 HIS N N 27 112.700 116.450 -3.750 1
1 311 . 1 1 1 A 28 28 PRO HA H 28 4.120 4.528 -0.408 1
1 318 . 1 1 1 A 28 28 PRO CA C 28 65.400 65.519 -0.119 1
1 319 . 1 1 1 A 28 28 PRO CB C 28 32.200 32.126 0.074 1
1 322 . 1 1 1 A 29 29 ASN H H 29 8.840 9.073 -0.233 1
1 323 . 1 1 1 A 29 29 ASN HA H 29 4.470 4.538 -0.068 1
1 328 . 1 1 1 A 29 29 ASN CA C 29 56.100 55.587 0.513 1
1 329 . 1 1 1 A 29 29 ASN CB C 29 37.000 37.172 -0.172 1
1 330 . 1 1 1 A 29 29 ASN N N 29 116.300 115.219 1.081 1
1 332 . 1 1 1 A 30 30 ILE H H 30 7.630 7.950 -0.320 1
1 333 . 1 1 1 A 30 30 ILE HA H 30 3.910 3.748 0.162 1
1 343 . 1 1 1 A 30 30 ILE CA C 30 63.700 64.883 -1.183 1
1 344 . 1 1 1 A 30 30 ILE CB C 30 37.300 37.972 -0.672 1
1 348 . 1 1 1 A 30 30 ILE N N 30 121.500 121.509 -0.009 1
1 349 . 1 1 1 A 31 31 VAL H H 31 6.920 7.859 -0.939 1
1 350 . 1 1 1 A 31 31 VAL HA H 31 3.020 3.589 -0.569 1
1 358 . 1 1 1 A 31 31 VAL CA C 31 65.500 65.654 -0.154 1
1 359 . 1 1 1 A 31 31 VAL CB C 31 30.900 31.206 -0.306 1
1 362 . 1 1 1 A 31 31 VAL N N 31 119.900 116.267 3.633 1
1 363 . 1 1 1 A 32 32 ARG H H 32 8.080 8.140 -0.060 1
1 364 . 1 1 1 A 32 32 ARG HA H 32 3.380 4.042 -0.662 1
1 371 . 1 1 1 A 32 32 ARG CA C 32 58.900 59.711 -0.811 1
1 372 . 1 1 1 A 32 32 ARG CB C 32 28.800 30.059 -1.259 1
1 375 . 1 1 1 A 32 32 ARG N N 32 118.900 122.516 -3.616 1
1 376 . 1 1 1 A 33 33 SER H H 33 7.840 8.096 -0.256 1
1 377 . 1 1 1 A 33 33 SER HA H 33 4.130 4.123 0.007 1
1 380 . 1 1 1 A 33 33 SER CA C 33 61.900 61.365 0.535 1
1 381 . 1 1 1 A 33 33 SER CB C 33 62.700 62.308 0.392 1
1 382 . 1 1 1 A 33 33 SER N N 33 113.400 115.065 -1.665 1
1 383 . 1 1 1 A 34 34 ARG H H 34 7.610 7.777 -0.167 1
1 384 . 1 1 1 A 34 34 ARG HA H 34 4.370 4.180 0.190 1
1 392 . 1 1 1 A 34 34 ARG CA C 34 58.100 59.028 -0.928 1
1 393 . 1 1 1 A 34 34 ARG CB C 34 29.600 29.768 -0.168 1
1 396 . 1 1 1 A 34 34 ARG N N 34 119.900 123.085 -3.185 1
1 398 . 1 1 1 A 35 35 ILE H H 35 8.070 7.730 0.340 1
1 399 . 1 1 1 A 35 35 ILE HA H 35 3.470 3.644 -0.174 1
1 409 . 1 1 1 A 35 35 ILE CA C 35 65.800 65.209 0.591 1
1 410 . 1 1 1 A 35 35 ILE CB C 35 38.200 37.942 0.258 1
1 414 . 1 1 1 A 35 35 ILE N N 35 118.600 120.809 -2.209 1
1 415 . 1 1 1 A 36 36 GLU H H 36 8.710 8.256 0.454 1
1 416 . 1 1 1 A 36 36 GLU HA H 36 3.880 4.092 -0.212 1
1 421 . 1 1 1 A 36 36 GLU CA C 36 58.400 59.041 -0.641 1
1 422 . 1 1 1 A 36 36 GLU CB C 36 30.000 29.157 0.843 1
1 424 . 1 1 1 A 36 36 GLU N N 36 116.800 118.522 -1.722 1
1 425 . 1 1 1 A 37 37 LYS H H 37 8.550 7.713 0.837 1
1 426 . 1 1 1 A 37 37 LYS HA H 37 4.300 4.128 0.172 1
1 435 . 1 1 1 A 37 37 LYS CA C 37 57.300 58.664 -1.364 1
1 436 . 1 1 1 A 37 37 LYS CB C 37 33.000 33.118 -0.118 1
1 440 . 1 1 1 A 37 37 LYS N N 37 114.300 120.929 -6.629 1
1 441 . 1 1 1 A 38 38 ASP H H 38 7.480 7.917 -0.437 1
1 442 . 1 1 1 A 38 38 ASP HA H 38 4.970 4.893 0.077 1
1 445 . 1 1 1 A 38 38 ASP CA C 38 55.300 54.678 0.622 1
1 446 . 1 1 1 A 38 38 ASP CB C 38 42.700 42.908 -0.208 1
1 447 . 1 1 1 A 38 38 ASP N N 38 113.900 118.148 -4.248 1
1 448 . 1 1 1 A 39 39 ILE H H 39 7.540 7.783 -0.243 1
1 449 . 1 1 1 A 39 39 ILE HA H 39 3.940 3.825 0.115 1
1 459 . 1 1 1 A 39 39 ILE CA C 39 64.700 65.158 -0.458 1
1 460 . 1 1 1 A 39 39 ILE CB C 39 39.000 38.030 0.970 1
1 464 . 1 1 1 A 39 39 ILE N N 39 116.800 118.659 -1.859 1
1 465 . 1 1 1 A 40 40 LYS H H 40 8.840 7.601 1.239 1
1 466 . 1 1 1 A 40 40 LYS HA H 40 3.650 4.584 -0.934 1
1 475 . 1 1 1 A 40 40 LYS CA C 40 50.600 53.886 -3.286 1
1 476 . 1 1 1 A 40 40 LYS CB C 40 30.400 32.454 -2.054 1
1 480 . 1 1 1 A 40 40 LYS N N 40 118.400 117.909 0.491 1
1 481 . 1 1 1 A 41 41 PRO HA H 41 4.280 4.384 -0.104 1
1 488 . 1 1 1 A 41 41 PRO CA C 41 65.700 65.294 0.406 1
1 489 . 1 1 1 A 41 41 PRO CB C 41 30.700 31.843 -1.143 1
1 492 . 1 1 1 A 42 42 ALA H H 42 6.660 7.940 -1.280 1
1 493 . 1 1 1 A 42 42 ALA HA H 42 4.430 4.488 -0.058 1
1 497 . 1 1 1 A 42 42 ALA CA C 42 53.800 52.956 0.844 1
1 498 . 1 1 1 A 42 42 ALA CB C 42 20.800 21.475 -0.675 1
1 499 . 1 1 1 A 42 42 ALA N N 42 115.300 117.815 -2.515 1
1 500 . 1 1 1 A 43 43 ILE H H 43 7.540 8.167 -0.627 1
1 501 . 1 1 1 A 43 43 ILE HA H 43 4.810 4.035 0.775 1
1 511 . 1 1 1 A 43 43 ILE CA C 43 60.600 61.138 -0.538 1
1 512 . 1 1 1 A 43 43 ILE CB C 43 41.200 36.941 4.259 1
1 516 . 1 1 1 A 43 43 ILE N N 43 105.000 115.296 -10.296 1
1 517 . 1 1 1 A 44 44 GLY H H 44 8.500 8.260 0.240 1
1 518 . 1 1 1 A 44 44 GLY HA2 H 44 4.170 3.861 0.309 1
1 519 . 1 1 1 A 44 44 GLY HA3 H 44 3.430 3.864 -0.434 1
1 520 . 1 1 1 A 44 44 GLY CA C 44 47.300 47.202 0.098 1
1 521 . 1 1 1 A 44 44 GLY N N 44 109.600 112.696 -3.096 1
1 522 . 1 1 1 A 45 45 SER H H 45 8.120 7.886 0.234 1
1 523 . 1 1 1 A 45 45 SER HA H 45 4.440 4.648 -0.208 1
1 526 . 1 1 1 A 45 45 SER CA C 45 58.600 58.531 0.069 1
1 527 . 1 1 1 A 45 45 SER CB C 45 63.400 63.276 0.124 1
1 528 . 1 1 1 A 45 45 SER N N 45 110.400 114.931 -4.531 1
1 529 . 1 1 1 A 46 46 LEU H H 46 7.480 7.176 0.304 1
1 530 . 1 1 1 A 46 46 LEU HA H 46 4.180 4.999 -0.819 1
1 540 . 1 1 1 A 46 46 LEU CA C 46 54.800 53.545 1.255 1
1 541 . 1 1 1 A 46 46 LEU CB C 46 41.700 46.117 -4.417 1
1 545 . 1 1 1 A 46 46 LEU N N 46 122.600 123.065 -0.465 1
1 546 . 1 1 1 A 47 47 LYS H H 47 8.790 8.825 -0.035 1
1 547 . 1 1 1 A 47 47 LYS HA H 47 4.460 4.530 -0.070 1
1 556 . 1 1 1 A 47 47 LYS CA C 47 56.700 55.400 1.300 1
1 557 . 1 1 1 A 47 47 LYS CB C 47 31.100 33.575 -2.475 1
1 561 . 1 1 1 A 47 47 LYS N N 47 120.800 123.057 -2.257 1
1 562 . 1 1 1 A 48 48 VAL H H 48 8.600 8.689 -0.089 1
1 563 . 1 1 1 A 48 48 VAL HA H 48 3.470 3.809 -0.339 1
1 571 . 1 1 1 A 48 48 VAL CA C 48 66.900 66.450 0.450 1
1 572 . 1 1 1 A 48 48 VAL CB C 48 31.000 31.109 -0.109 1
1 575 . 1 1 1 A 48 48 VAL N N 48 123.000 121.411 1.589 1
1 576 . 1 1 1 A 49 49 GLU H H 49 9.360 8.264 1.096 1
1 577 . 1 1 1 A 49 49 GLU HA H 49 4.180 4.169 0.011 1
1 582 . 1 1 1 A 49 49 GLU CA C 49 57.600 58.985 -1.385 1
1 583 . 1 1 1 A 49 49 GLU CB C 49 28.500 29.161 -0.661 1
1 585 . 1 1 1 A 49 49 GLU N N 49 115.300 119.946 -4.646 1
1 586 . 1 1 1 A 50 50 ASP H H 50 7.840 7.793 0.047 1
1 587 . 1 1 1 A 50 50 ASP HA H 50 4.840 4.676 0.164 1
1 590 . 1 1 1 A 50 50 ASP CA C 50 53.800 54.835 -1.035 1
1 591 . 1 1 1 A 50 50 ASP CB C 50 41.400 41.758 -0.358 1
1 592 . 1 1 1 A 50 50 ASP N N 50 118.900 118.268 0.632 1
1 593 . 1 1 1 A 51 51 VAL H H 51 7.150 7.465 -0.315 1
1 594 . 1 1 1 A 51 51 VAL HA H 51 3.950 4.383 -0.433 1
1 602 . 1 1 1 A 51 51 VAL CA C 51 63.700 61.684 2.016 1
1 603 . 1 1 1 A 51 51 VAL CB C 51 30.900 31.042 -0.142 1
1 606 . 1 1 1 A 51 51 VAL N N 51 119.900 121.283 -1.383 1
1 607 . 1 1 1 A 52 52 LYS H H 52 11.840 8.548 3.292 1
1 608 . 1 1 1 A 52 52 LYS HA H 52 4.980 4.761 0.219 1
1 617 . 1 1 1 A 52 52 LYS CA C 52 52.800 54.578 -1.778 1
1 618 . 1 1 1 A 52 52 LYS CB C 52 33.100 32.516 0.584 1
1 622 . 1 1 1 A 52 52 LYS N N 52 133.900 126.747 7.153 1
1 623 . 1 1 1 A 53 53 PRO HA H 53 4.370 4.570 -0.200 1
1 630 . 1 1 1 A 53 53 PRO CA C 53 66.600 65.856 0.744 1
1 631 . 1 1 1 A 53 53 PRO CB C 53 31.600 31.761 -0.161 1
1 634 . 1 1 1 A 54 54 ARG H H 54 8.180 8.468 -0.288 1
1 635 . 1 1 1 A 54 54 ARG HA H 54 4.200 4.137 0.063 1
1 643 . 1 1 1 A 54 54 ARG CA C 54 58.300 58.914 -0.614 1
1 644 . 1 1 1 A 54 54 ARG CB C 54 28.700 29.388 -0.688 1
1 647 . 1 1 1 A 54 54 ARG N N 54 113.800 117.706 -3.906 1
1 649 . 1 1 1 A 55 55 HIS H H 55 7.650 8.058 -0.408 1
1 650 . 1 1 1 A 55 55 HIS HA H 55 4.430 4.454 -0.024 1
1 655 . 1 1 1 A 55 55 HIS CA C 55 60.500 60.087 0.413 1
1 656 . 1 1 1 A 55 55 HIS CB C 55 31.400 30.555 0.845 1
1 659 . 1 1 1 A 55 55 HIS N N 55 118.400 117.845 0.555 1
1 660 . 1 1 1 A 56 56 ILE H H 56 7.280 7.968 -0.688 1
1 661 . 1 1 1 A 56 56 ILE HA H 56 3.480 3.564 -0.084 1
1 671 . 1 1 1 A 56 56 ILE CA C 56 61.900 65.237 -3.337 1
1 672 . 1 1 1 A 56 56 ILE CB C 56 33.900 37.775 -3.875 1
1 676 . 1 1 1 A 56 56 ILE N N 56 117.400 120.051 -2.651 1
1 677 . 1 1 1 A 57 57 ASP H H 57 8.010 8.421 -0.411 1
1 678 . 1 1 1 A 57 57 ASP HA H 57 4.220 4.156 0.064 1
1 681 . 1 1 1 A 57 57 ASP CA C 57 57.200 57.812 -0.612 1
1 682 . 1 1 1 A 57 57 ASP CB C 57 40.900 42.209 -1.309 1
1 683 . 1 1 1 A 57 57 ASP N N 57 119.400 122.177 -2.777 1
1 684 . 1 1 1 A 58 58 ASP H H 58 8.000 7.905 0.095 1
1 685 . 1 1 1 A 58 58 ASP HA H 58 4.380 4.435 -0.055 1
1 688 . 1 1 1 A 58 58 ASP CA C 58 57.600 57.233 0.367 1
1 689 . 1 1 1 A 58 58 ASP CB C 58 39.200 41.202 -2.002 1
1 690 . 1 1 1 A 58 58 ASP N N 58 117.400 119.998 -2.598 1
1 691 . 1 1 1 A 59 59 VAL H H 59 7.800 8.165 -0.365 1
1 692 . 1 1 1 A 59 59 VAL HA H 59 3.620 3.799 -0.179 1
1 700 . 1 1 1 A 59 59 VAL CA C 59 66.200 65.643 0.557 1
1 701 . 1 1 1 A 59 59 VAL CB C 59 31.400 31.428 -0.028 1
1 704 . 1 1 1 A 59 59 VAL N N 59 121.200 117.283 3.917 1
1 705 . 1 1 1 A 60 60 LEU H H 60 8.030 8.343 -0.313 1
1 706 . 1 1 1 A 60 60 LEU HA H 60 3.870 3.884 -0.014 1
1 716 . 1 1 1 A 60 60 LEU CA C 60 58.000 57.732 0.268 1
1 717 . 1 1 1 A 60 60 LEU CB C 60 40.300 40.950 -0.650 1
1 721 . 1 1 1 A 60 60 LEU N N 60 118.900 121.434 -2.534 1
1 722 . 1 1 1 A 61 61 LYS H H 61 8.710 7.496 1.214 1
1 723 . 1 1 1 A 61 61 LYS HA H 61 3.920 3.989 -0.069 1
1 732 . 1 1 1 A 61 61 LYS CA C 61 59.600 58.398 1.202 1
1 733 . 1 1 1 A 61 61 LYS CB C 61 32.500 32.373 0.127 1
1 737 . 1 1 1 A 61 61 LYS N N 61 118.300 121.146 -2.846 1
1 738 . 1 1 1 A 62 62 ALA H H 62 7.590 8.038 -0.448 1
1 739 . 1 1 1 A 62 62 ALA HA H 62 4.170 4.057 0.113 1
1 743 . 1 1 1 A 62 62 ALA CA C 62 55.100 55.105 -0.005 1
1 744 . 1 1 1 A 62 62 ALA CB C 62 17.900 18.423 -0.523 1
1 745 . 1 1 1 A 62 62 ALA N N 62 121.000 121.613 -0.613 1
1 746 . 1 1 1 A 63 63 VAL H H 63 8.090 8.601 -0.511 1
1 747 . 1 1 1 A 63 63 VAL HA H 63 3.710 3.775 -0.065 1
1 755 . 1 1 1 A 63 63 VAL CA C 63 65.700 64.894 0.806 1
1 756 . 1 1 1 A 63 63 VAL CB C 63 31.700 31.242 0.458 1
1 759 . 1 1 1 A 63 63 VAL N N 63 118.000 116.710 1.290 1
1 760 . 1 1 1 A 64 64 MET H H 64 8.360 7.634 0.726 1
1 761 . 1 1 1 A 64 64 MET HA H 64 4.110 4.181 -0.071 1
1 769 . 1 1 1 A 64 64 MET CA C 64 57.600 58.048 -0.448 1
1 770 . 1 1 1 A 64 64 MET CB C 64 31.700 31.732 -0.032 1
1 773 . 1 1 1 A 64 64 MET N N 64 119.400 121.049 -1.649 1
1 774 . 1 1 1 A 65 65 LYS H H 65 7.660 7.695 -0.035 1
1 775 . 1 1 1 A 65 65 LYS HA H 65 4.170 4.027 0.143 1
1 784 . 1 1 1 A 65 65 LYS CA C 65 58.100 59.448 -1.348 1
1 785 . 1 1 1 A 65 65 LYS CB C 65 32.500 32.550 -0.050 1
1 789 . 1 1 1 A 65 65 LYS N N 65 118.900 120.742 -1.842 1
1 790 . 1 1 1 A 66 66 ARG H H 66 7.600 8.829 -1.229 1
1 791 . 1 1 1 A 66 66 ARG HA H 66 4.430 4.148 0.282 1
1 799 . 1 1 1 A 66 66 ARG CA C 66 56.600 57.531 -0.931 1
1 800 . 1 1 1 A 66 66 ARG CB C 66 30.400 30.345 0.055 1
1 803 . 1 1 1 A 66 66 ARG N N 66 115.800 118.149 -2.349 1
1 805 . 1 1 1 A 67 67 GLY H H 67 7.830 7.702 0.128 1
1 806 . 1 1 1 A 67 67 GLY HA2 H 67 4.010 4.105 -0.095 1
1 807 . 1 1 1 A 67 67 GLY HA3 H 67 3.980 4.106 -0.126 1
1 808 . 1 1 1 A 67 67 GLY CA C 67 45.700 45.518 0.182 1
1 809 . 1 1 1 A 67 67 GLY N N 67 107.400 109.152 -1.752 1
1 810 . 1 1 1 A 68 68 ALA H H 68 7.730 7.964 -0.234 1
1 811 . 1 1 1 A 68 68 ALA HA H 68 4.980 4.727 0.253 1
1 815 . 1 1 1 A 68 68 ALA CA C 68 49.700 50.284 -0.584 1
1 816 . 1 1 1 A 68 68 ALA CB C 68 18.900 21.521 -2.621 1
1 817 . 1 1 1 A 68 68 ALA N N 68 122.500 124.205 -1.705 1
1 818 . 1 1 1 A 69 69 PRO HA H 69 4.350 4.302 0.048 1
1 825 . 1 1 1 A 69 69 PRO CA C 69 65.400 64.561 0.839 1
1 826 . 1 1 1 A 69 69 PRO CB C 69 31.700 32.117 -0.417 1
1 829 . 1 1 1 A 70 70 SER H H 70 8.430 8.303 0.127 1
1 830 . 1 1 1 A 70 70 SER HA H 70 4.250 4.204 0.046 1
1 833 . 1 1 1 A 70 70 SER CA C 70 61.000 61.749 -0.749 1
1 834 . 1 1 1 A 70 70 SER CB C 70 61.500 63.089 -1.589 1
1 835 . 1 1 1 A 70 70 SER N N 70 112.200 114.125 -1.925 1
1 836 . 1 1 1 A 71 71 ILE H H 71 7.430 7.919 -0.489 1
1 837 . 1 1 1 A 71 71 ILE HA H 71 3.980 3.948 0.032 1
1 847 . 1 1 1 A 71 71 ILE CA C 71 63.100 64.002 -0.902 1
1 848 . 1 1 1 A 71 71 ILE CB C 71 36.700 37.405 -0.705 1
1 852 . 1 1 1 A 71 71 ILE N N 71 122.000 118.767 3.233 1
1 853 . 1 1 1 A 72 72 ALA H H 72 7.780 7.989 -0.209 1
1 854 . 1 1 1 A 72 72 ALA HA H 72 3.910 3.946 -0.036 1
1 858 . 1 1 1 A 72 72 ALA CA C 72 55.800 55.972 -0.172 1
1 859 . 1 1 1 A 72 72 ALA CB C 72 17.900 18.259 -0.359 1
1 860 . 1 1 1 A 72 72 ALA N N 72 126.100 124.114 1.986 1
1 861 . 1 1 1 A 73 73 ASN H H 73 8.180 7.741 0.439 1
1 862 . 1 1 1 A 73 73 ASN HA H 73 4.410 4.530 -0.120 1
1 867 . 1 1 1 A 73 73 ASN CA C 73 55.900 55.765 0.135 1
1 868 . 1 1 1 A 73 73 ASN CB C 73 37.800 38.073 -0.273 1
1 869 . 1 1 1 A 73 73 ASN N N 73 116.700 116.902 -0.202 1
1 871 . 1 1 1 A 74 74 ASP H H 74 8.120 7.783 0.337 1
1 872 . 1 1 1 A 74 74 ASP HA H 74 4.410 4.177 0.233 1
1 875 . 1 1 1 A 74 74 ASP CA C 74 57.500 57.699 -0.199 1
1 876 . 1 1 1 A 74 74 ASP CB C 74 41.400 41.800 -0.400 1
1 877 . 1 1 1 A 74 74 ASP N N 74 120.800 119.441 1.359 1
1 878 . 1 1 1 A 75 75 THR H H 75 8.360 8.494 -0.134 1
1 879 . 1 1 1 A 75 75 THR HA H 75 3.750 4.189 -0.439 1
1 884 . 1 1 1 A 75 75 THR CA C 75 68.800 67.568 1.232 1
1 885 . 1 1 1 A 75 75 THR CB C 75 67.700 68.755 -1.055 1
1 887 . 1 1 1 A 75 75 THR N N 75 116.300 115.564 0.736 1
1 888 . 1 1 1 A 76 76 LEU H H 76 8.160 7.807 0.353 1
1 889 . 1 1 1 A 76 76 LEU HA H 76 3.980 3.966 0.014 1
1 899 . 1 1 1 A 76 76 LEU CA C 76 58.000 58.108 -0.108 1
1 900 . 1 1 1 A 76 76 LEU CB C 76 40.500 41.827 -1.327 1
1 904 . 1 1 1 A 76 76 LEU N N 76 121.000 120.879 0.121 1
1 905 . 1 1 1 A 77 77 ARG H H 77 7.810 7.916 -0.106 1
1 906 . 1 1 1 A 77 77 ARG HA H 77 3.790 3.680 0.110 1
1 914 . 1 1 1 A 77 77 ARG CA C 77 60.000 59.288 0.712 1
1 915 . 1 1 1 A 77 77 ARG CB C 77 29.400 29.294 0.106 1
1 918 . 1 1 1 A 77 77 ARG N N 77 118.400 118.796 -0.396 1
1 920 . 1 1 1 A 78 78 TRP H H 78 7.870 7.339 0.531 1
1 921 . 1 1 1 A 78 78 TRP HA H 78 4.490 4.603 -0.113 1
1 930 . 1 1 1 A 78 78 TRP CA C 78 60.200 59.931 0.269 1
1 931 . 1 1 1 A 78 78 TRP CB C 78 28.700 29.815 -1.115 1
1 937 . 1 1 1 A 78 78 TRP N N 78 118.300 120.335 -2.035 1
1 939 . 1 1 1 A 79 79 LEU H H 79 8.630 8.368 0.262 1
1 940 . 1 1 1 A 79 79 LEU HA H 79 3.940 3.546 0.394 1
1 950 . 1 1 1 A 79 79 LEU CA C 79 58.200 57.709 0.491 1
1 951 . 1 1 1 A 79 79 LEU CB C 79 42.300 41.147 1.153 1
1 955 . 1 1 1 A 79 79 LEU N N 79 120.200 120.646 -0.446 1
1 956 . 1 1 1 A 80 80 LYS H H 80 8.710 7.955 0.755 1
1 957 . 1 1 1 A 80 80 LYS HA H 80 3.880 4.071 -0.191 1
1 966 . 1 1 1 A 80 80 LYS CA C 80 61.300 60.481 0.819 1
1 967 . 1 1 1 A 80 80 LYS CB C 80 32.300 32.380 -0.080 1
1 971 . 1 1 1 A 80 80 LYS N N 80 118.400 118.738 -0.338 1
1 972 . 1 1 1 A 81 81 ARG H H 81 7.800 8.265 -0.465 1
1 973 . 1 1 1 A 81 81 ARG HA H 81 4.030 4.136 -0.106 1
1 981 . 1 1 1 A 81 81 ARG CA C 81 59.700 59.897 -0.197 1
1 982 . 1 1 1 A 81 81 ARG CB C 81 30.400 30.146 0.254 1
1 985 . 1 1 1 A 81 81 ARG N N 81 117.400 119.900 -2.500 1
1 987 . 1 1 1 A 82 82 MET H H 82 8.530 7.982 0.548 1
1 988 . 1 1 1 A 82 82 MET HA H 82 3.000 4.249 -1.249 1
1 996 . 1 1 1 A 82 82 MET CA C 82 58.900 58.708 0.192 1
1 997 . 1 1 1 A 82 82 MET CB C 82 32.300 31.622 0.678 1
1 1000 . 1 1 1 A 82 82 MET N N 82 121.400 119.303 2.097 1
1 1001 . 1 1 1 A 83 83 PHE H H 83 8.340 8.315 0.025 1
1 1002 . 1 1 1 A 83 83 PHE HA H 83 4.340 4.330 0.010 1
1 1010 . 1 1 1 A 83 83 PHE CA C 83 61.900 61.572 0.328 1
1 1011 . 1 1 1 A 83 83 PHE CB C 83 38.800 38.377 0.423 1
1 1015 . 1 1 1 A 83 83 PHE N N 83 116.900 118.454 -1.554 1
1 1016 . 1 1 1 A 84 84 ASN H H 84 8.170 8.590 -0.420 1
1 1017 . 1 1 1 A 84 84 ASN HA H 84 4.670 4.596 0.074 1
1 1022 . 1 1 1 A 84 84 ASN CA C 84 55.800 55.984 -0.184 1
1 1023 . 1 1 1 A 84 84 ASN CB C 84 37.500 39.355 -1.855 1
1 1024 . 1 1 1 A 84 84 ASN N N 84 120.500 118.203 2.297 1
1 1026 . 1 1 1 A 85 85 TYR H H 85 7.910 8.353 -0.443 1
1 1027 . 1 1 1 A 85 85 TYR HA H 85 4.320 4.201 0.119 1
1 1034 . 1 1 1 A 85 85 TYR CA C 85 61.100 61.683 -0.583 1
1 1035 . 1 1 1 A 85 85 TYR CB C 85 37.900 38.537 -0.637 1
1 1038 . 1 1 1 A 85 85 TYR N N 85 124.000 120.628 3.372 1
1 1039 . 1 1 1 A 86 86 ALA H H 86 7.780 8.442 -0.662 1
1 1040 . 1 1 1 A 86 86 ALA HA H 86 3.670 4.001 -0.331 1
1 1044 . 1 1 1 A 86 86 ALA CA C 86 54.800 55.067 -0.267 1
1 1045 . 1 1 1 A 86 86 ALA CB C 86 18.100 18.118 -0.018 1
1 1046 . 1 1 1 A 86 86 ALA N N 86 120.500 121.554 -1.054 1
1 1047 . 1 1 1 A 87 87 ILE H H 87 7.880 8.240 -0.360 1
1 1048 . 1 1 1 A 87 87 ILE HA H 87 4.240 3.808 0.432 1
1 1058 . 1 1 1 A 87 87 ILE CA C 87 63.900 65.019 -1.119 1
1 1059 . 1 1 1 A 87 87 ILE CB C 87 37.900 37.263 0.637 1
1 1063 . 1 1 1 A 87 87 ILE N N 87 120.400 118.959 1.441 1
1 1064 . 1 1 1 A 88 88 LYS H H 88 7.880 8.419 -0.539 1
1 1065 . 1 1 1 A 88 88 LYS HA H 88 3.900 4.120 -0.220 1
1 1074 . 1 1 1 A 88 88 LYS CA C 88 58.900 58.438 0.462 1
1 1075 . 1 1 1 A 88 88 LYS CB C 88 31.300 31.371 -0.071 1
1 1079 . 1 1 1 A 88 88 LYS N N 88 124.300 120.679 3.621 1
1 1080 . 1 1 1 A 89 89 ARG H H 89 7.350 7.224 0.126 1
1 1081 . 1 1 1 A 89 89 ARG HA H 89 4.020 4.301 -0.281 1
1 1088 . 1 1 1 A 89 89 ARG CA C 89 54.600 57.023 -2.423 1
1 1089 . 1 1 1 A 89 89 ARG CB C 89 29.100 30.686 -1.586 1
1 1092 . 1 1 1 A 89 89 ARG N N 89 114.300 119.805 -5.505 1
1 1093 . 1 1 1 A 90 90 HIS H H 90 8.030 7.970 0.060 1
1 1094 . 1 1 1 A 90 90 HIS HA H 90 4.330 4.183 0.147 1
1 1098 . 1 1 1 A 90 90 HIS CA C 90 56.300 56.472 -0.172 1
1 1099 . 1 1 1 A 90 90 HIS CB C 90 25.200 28.580 -3.380 1
1 1101 . 1 1 1 A 90 90 HIS N N 90 113.200 117.203 -4.003 1
1 1102 . 1 1 1 A 91 91 ILE H H 91 8.370 8.316 0.054 1
1 1103 . 1 1 1 A 91 91 ILE HA H 91 3.830 3.712 0.118 1
1 1113 . 1 1 1 A 91 91 ILE CA C 91 63.600 63.610 -0.010 1
1 1114 . 1 1 1 A 91 91 ILE CB C 91 39.300 38.296 1.004 1
1 1118 . 1 1 1 A 91 91 ILE N N 91 118.400 116.938 1.462 1
1 1119 . 1 1 1 A 92 92 ILE H H 92 6.860 7.328 -0.468 1
1 1120 . 1 1 1 A 92 92 ILE HA H 92 4.570 4.602 -0.032 1
1 1130 . 1 1 1 A 92 92 ILE CA C 92 58.800 58.150 0.650 1
1 1131 . 1 1 1 A 92 92 ILE CB C 92 42.700 40.910 1.790 1
1 1135 . 1 1 1 A 92 92 ILE N N 92 108.600 116.793 -8.193 1
1 1136 . 1 1 1 A 93 93 GLU H H 93 8.690 9.037 -0.347 1
1 1137 . 1 1 1 A 93 93 GLU HA H 93 4.470 4.216 0.254 1
1 1142 . 1 1 1 A 93 93 GLU CA C 93 56.400 57.258 -0.858 1
1 1143 . 1 1 1 A 93 93 GLU CB C 93 31.200 31.155 0.045 1
1 1145 . 1 1 1 A 93 93 GLU N N 93 116.800 121.586 -4.786 1
1 1146 . 1 1 1 A 94 94 TYR H H 94 7.420 7.694 -0.274 1
1 1147 . 1 1 1 A 94 94 TYR HA H 94 4.710 5.115 -0.405 1
1 1154 . 1 1 1 A 94 94 TYR CA C 94 55.800 56.886 -1.086 1
1 1155 . 1 1 1 A 94 94 TYR CB C 94 40.600 42.868 -2.268 1
1 1158 . 1 1 1 A 94 94 TYR N N 94 117.900 117.355 0.545 1
1 1159 . 1 1 1 A 95 95 ASN H H 95 8.960 8.851 0.109 1
1 1160 . 1 1 1 A 95 95 ASN HA H 95 4.550 5.155 -0.605 1
1 1165 . 1 1 1 A 95 95 ASN CA C 95 49.700 50.259 -0.559 1
1 1166 . 1 1 1 A 95 95 ASN CB C 95 39.200 39.086 0.114 1
1 1167 . 1 1 1 A 95 95 ASN N N 95 122.500 120.088 2.412 1
1 1169 . 1 1 1 A 96 96 PRO HA H 96 4.300 4.242 0.058 1
1 1176 . 1 1 1 A 96 96 PRO CA C 96 64.000 64.588 -0.588 1
1 1177 . 1 1 1 A 96 96 PRO CB C 96 31.100 31.551 -0.451 1
1 1180 . 1 1 1 A 97 97 ALA H H 97 8.090 8.078 0.012 1
1 1181 . 1 1 1 A 97 97 ALA HA H 97 4.540 4.509 0.031 1
1 1185 . 1 1 1 A 97 97 ALA CA C 97 51.200 54.142 -2.942 1
1 1186 . 1 1 1 A 97 97 ALA CB C 97 18.900 18.983 -0.083 1
1 1187 . 1 1 1 A 97 97 ALA N N 97 118.400 119.557 -1.157 1
1 1188 . 1 1 1 A 98 98 ALA H H 98 7.330 8.372 -1.042 1
1 1189 . 1 1 1 A 98 98 ALA HA H 98 3.990 4.253 -0.263 1
1 1193 . 1 1 1 A 98 98 ALA CA C 98 54.700 53.727 0.973 1
1 1194 . 1 1 1 A 98 98 ALA CB C 98 18.900 18.216 0.684 1
1 1195 . 1 1 1 A 98 98 ALA N N 98 120.500 119.998 0.502 1
1 1196 . 1 1 1 A 99 99 ALA H H 99 8.020 7.648 0.372 1
1 1197 . 1 1 1 A 99 99 ALA HA H 99 4.180 4.028 0.152 1
1 1201 . 1 1 1 A 99 99 ALA CA C 99 52.500 52.611 -0.111 1
1 1202 . 1 1 1 A 99 99 ALA CB C 99 18.200 18.830 -0.630 1
1 1203 . 1 1 1 A 99 99 ALA N N 99 117.400 119.769 -2.369 1
1 1204 . 1 1 1 A 100 100 PHE H H 100 7.320 7.536 -0.216 1
1 1205 . 1 1 1 A 100 100 PHE HA H 100 4.360 4.990 -0.630 1
1 1210 . 1 1 1 A 100 100 PHE CA C 100 57.700 56.876 0.824 1
1 1211 . 1 1 1 A 100 100 PHE CB C 100 40.500 43.358 -2.858 1
1 1213 . 1 1 1 A 100 100 PHE N N 100 117.400 116.395 1.005 1
1 1214 . 1 1 1 A 101 101 ASP H H 101 8.520 8.856 -0.336 1
1 1215 . 1 1 1 A 101 101 ASP HA H 101 4.910 4.977 -0.067 1
1 1218 . 1 1 1 A 101 101 ASP CA C 101 51.400 50.514 0.886 1
1 1219 . 1 1 1 A 101 101 ASP CB C 101 41.400 41.987 -0.587 1
1 1220 . 1 1 1 A 101 101 ASP N N 101 122.600 121.947 0.653 1
1 1221 . 1 1 1 A 102 102 PRO HA H 102 4.350 4.568 -0.218 1
1 1228 . 1 1 1 A 102 102 PRO CA C 102 63.400 63.409 -0.009 1
1 1229 . 1 1 1 A 102 102 PRO CB C 102 31.900 32.401 -0.501 1
1 1232 . 1 1 1 A 103 103 GLY H H 103 8.440 7.935 0.505 1
1 1233 . 1 1 1 A 103 103 GLY HA2 H 103 3.890 3.872 0.018 1
1 1234 . 1 1 1 A 103 103 GLY HA3 H 103 3.860 3.881 -0.021 1
1 1235 . 1 1 1 A 103 103 GLY CA C 103 45.100 46.359 -1.259 1
1 1236 . 1 1 1 A 103 103 GLY N N 103 108.300 110.763 -2.463 1
1 1237 . 1 1 1 A 104 104 ASP H H 104 8.100 8.584 -0.484 1
1 1238 . 1 1 1 A 104 104 ASP HA H 104 4.620 4.811 -0.191 1
1 1241 . 1 1 1 A 104 104 ASP CA C 104 53.900 54.444 -0.544 1
1 1242 . 1 1 1 A 104 104 ASP CB C 104 40.700 41.199 -0.499 1
1 1243 . 1 1 1 A 104 104 ASP N N 104 120.100 122.628 -2.528 1
1 1244 . 1 1 1 A 105 105 ALA H H 105 8.360 8.497 -0.137 1
1 1245 . 1 1 1 A 105 105 ALA HA H 105 4.270 3.968 0.302 1
1 1249 . 1 1 1 A 105 105 ALA CA C 105 52.900 53.130 -0.230 1
1 1250 . 1 1 1 A 105 105 ALA CB C 105 18.800 17.621 1.179 1
1 1251 . 1 1 1 A 105 105 ALA N N 105 124.600 122.076 2.524 1
1 1252 . 1 1 1 A 106 106 GLY H H 106 8.470 8.322 0.148 1
1 1253 . 1 1 1 A 106 106 GLY HA2 H 106 3.930 4.145 -0.215 1
1 1254 . 1 1 1 A 106 106 GLY HA3 H 106 3.910 4.165 -0.255 1
1 1255 . 1 1 1 A 106 106 GLY CA C 106 45.400 44.947 0.453 1
1 1256 . 1 1 1 A 106 106 GLY N N 106 107.500 104.611 2.889 1
1 1257 . 1 1 1 A 107 107 GLY H H 107 8.170 8.329 -0.159 1
1 1258 . 1 1 1 A 107 107 GLY HA2 H 107 3.950 4.062 -0.112 1
1 1259 . 1 1 1 A 107 107 GLY HA3 H 107 3.940 4.068 -0.128 1
1 1260 . 1 1 1 A 107 107 GLY CA C 107 45.300 45.911 -0.611 1
1 1261 . 1 1 1 A 107 107 GLY N N 107 108.600 110.777 -2.177 1
1 1262 . 1 1 1 A 108 108 LYS H H 108 8.160 8.011 0.149 1
1 1263 . 1 1 1 A 108 108 LYS HA H 108 4.260 4.327 -0.067 1
1 1272 . 1 1 1 A 108 108 LYS CA C 108 56.500 58.509 -2.009 1
1 1273 . 1 1 1 A 108 108 LYS CB C 108 32.800 31.286 1.514 1
1 1277 . 1 1 1 A 108 108 LYS N N 108 120.500 116.531 3.969 1
1 1278 . 1 1 1 A 109 109 LEU H H 109 8.220 8.585 -0.365 1
1 1279 . 1 1 1 A 109 109 LEU HA H 109 4.260 4.916 -0.656 1
1 1289 . 1 1 1 A 109 109 LEU CA C 109 55.000 53.085 1.915 1
1 1290 . 1 1 1 A 109 109 LEU CB C 109 41.900 45.262 -3.362 1
1 1294 . 1 1 1 A 109 109 LEU N N 109 122.200 120.819 1.381 1
1 1295 . 1 1 1 A 110 110 GLU H H 110 8.160 8.623 -0.463 1
1 1296 . 1 1 1 A 110 110 GLU HA H 110 4.190 4.931 -0.741 1
1 1301 . 1 1 1 A 110 110 GLU CA C 110 56.000 54.691 1.309 1
1 1302 . 1 1 1 A 110 110 GLU CB C 110 29.900 32.902 -3.002 1
1 1304 . 1 1 1 A 110 110 GLU N N 110 121.000 119.810 1.190 1
1 1305 . 1 1 1 A 111 111 HIS H H 111 8.460 8.908 -0.448 1
1 1306 . 1 1 1 A 111 111 HIS HA H 111 4.630 4.733 -0.103 1
1 1309 . 1 1 1 A 111 111 HIS CA C 111 54.900 57.119 -2.219 1
1 1310 . 1 1 1 A 111 111 HIS CB C 111 28.700 32.612 -3.912 1
1 1311 . 1 1 1 A 111 111 HIS N N 111 118.900 122.032 -3.132 1
1 1312 . 1 1 1 A 112 112 HIS H H 112 8.540 7.837 0.703 1
1 1313 . 1 1 1 A 112 112 HIS HA H 112 4.640 4.763 -0.123 1
1 1316 . 1 1 1 A 112 112 HIS CA C 112 55.100 57.043 -1.943 1
1 1317 . 1 1 1 A 112 112 HIS CB C 112 28.900 31.869 -2.969 1
1 1318 . 1 1 1 A 112 112 HIS N N 112 119.100 116.009 3.091 1
1 1319 . 1 1 1 A 113 113 HIS H H 113 8.630 7.933 0.697 1
1 1320 . 1 1 1 A 113 113 HIS HA H 113 4.670 5.145 -0.475 1
1 1323 . 1 1 1 A 113 113 HIS CA C 113 55.200 56.147 -0.947 1
1 1324 . 1 1 1 A 113 113 HIS CB C 113 28.900 32.372 -3.472 1
1 1325 . 1 1 1 A 113 113 HIS N N 113 119.400 116.413 2.987 1
1 1326 . 1 1 1 A 114 114 HIS H H 114 8.670 8.917 -0.247 1
1 1327 . 1 1 1 A 114 114 HIS HA H 114 4.670 4.276 0.394 1
1 1330 . 1 1 1 A 114 114 HIS CA C 114 55.200 57.681 -2.481 1
1 1331 . 1 1 1 A 114 114 HIS CB C 114 29.100 30.263 -1.163 1
1 1332 . 1 1 1 A 114 114 HIS N N 114 120.400 125.384 -4.984 1
1 1333 . 1 1 1 A 115 115 HIS H H 115 8.560 8.847 -0.287 1
1 1334 . 1 1 1 A 115 115 HIS HA H 115 4.660 4.492 0.168 1
1 1337 . 1 1 1 A 115 115 HIS CA C 115 55.300 58.761 -3.461 1
1 1338 . 1 1 1 A 115 115 HIS CB C 115 29.300 30.642 -1.342 1
1 1339 . 1 1 1 A 115 115 HIS N N 115 120.600 124.540 -3.940 1
1 5 . 2 1 1 A 2 2 ALA H H 2 8.190 7.836 0.354 1
1 6 . 2 1 1 A 2 2 ALA HA H 2 4.510 4.616 -0.106 1
1 10 . 2 1 1 A 2 2 ALA CA C 2 51.900 51.829 0.071 1
1 11 . 2 1 1 A 2 2 ALA CB C 2 19.500 21.698 -2.198 1
1 12 . 2 1 1 A 2 2 ALA N N 2 124.100 117.578 6.522 1
1 13 . 2 1 1 A 3 3 GLU H H 3 8.740 7.940 0.800 1
1 14 . 2 1 1 A 3 3 GLU HA H 3 4.380 4.780 -0.400 1
1 19 . 2 1 1 A 3 3 GLU CA C 3 56.000 55.809 0.191 1
1 20 . 2 1 1 A 3 3 GLU CB C 3 29.900 30.540 -0.640 1
1 22 . 2 1 1 A 3 3 GLU N N 3 120.700 119.008 1.692 1
1 23 . 2 1 1 A 4 4 LYS H H 4 8.580 8.831 -0.251 1
1 24 . 2 1 1 A 4 4 LYS HA H 4 4.280 4.576 -0.296 1
1 33 . 2 1 1 A 4 4 LYS CA C 4 56.600 56.908 -0.308 1
1 34 . 2 1 1 A 4 4 LYS CB C 4 32.600 34.622 -2.022 1
1 38 . 2 1 1 A 4 4 LYS N N 4 122.500 119.587 2.913 1
1 39 . 2 1 1 A 5 5 ASN H H 5 8.560 8.128 0.432 1
1 40 . 2 1 1 A 5 5 ASN HA H 5 4.700 5.104 -0.404 1
1 45 . 2 1 1 A 5 5 ASN CA C 5 53.200 53.321 -0.121 1
1 46 . 2 1 1 A 5 5 ASN CB C 5 38.900 41.628 -2.728 1
1 47 . 2 1 1 A 5 5 ASN N N 5 119.500 117.891 1.609 1
1 49 . 2 1 1 A 6 6 ALA H H 6 8.210 8.476 -0.266 1
1 50 . 2 1 1 A 6 6 ALA HA H 6 4.520 3.774 0.746 1
1 54 . 2 1 1 A 6 6 ALA CA C 6 51.800 53.056 -1.256 1
1 55 . 2 1 1 A 6 6 ALA CB C 6 19.600 17.272 2.328 1
1 56 . 2 1 1 A 6 6 ALA N N 6 124.100 125.363 -1.263 1
1 57 . 2 1 1 A 7 7 TYR H H 7 8.740 7.459 1.281 1
1 58 . 2 1 1 A 7 7 TYR HA H 7 4.700 4.574 0.126 1
1 65 . 2 1 1 A 7 7 TYR CA C 7 58.900 57.620 1.280 1
1 66 . 2 1 1 A 7 7 TYR CB C 7 40.300 39.714 0.586 1
1 69 . 2 1 1 A 7 7 TYR N N 7 121.400 114.795 6.605 1
1 70 . 2 1 1 A 8 8 THR H H 8 8.170 8.931 -0.761 1
1 71 . 2 1 1 A 8 8 THR HA H 8 5.220 4.734 0.486 1
1 76 . 2 1 1 A 8 8 THR CA C 8 59.800 60.525 -0.725 1
1 77 . 2 1 1 A 8 8 THR CB C 8 71.600 71.454 0.146 1
1 79 . 2 1 1 A 8 8 THR N N 8 113.700 113.189 0.511 1
1 80 . 2 1 1 A 9 9 VAL H H 9 8.990 8.781 0.209 1
1 81 . 2 1 1 A 9 9 VAL HA H 9 3.370 4.055 -0.685 1
1 89 . 2 1 1 A 9 9 VAL CA C 9 66.700 64.630 2.070 1
1 90 . 2 1 1 A 9 9 VAL CB C 9 30.200 31.813 -1.613 1
1 93 . 2 1 1 A 9 9 VAL N N 9 121.400 122.552 -1.152 1
1 94 . 2 1 1 A 10 10 ALA H H 10 9.340 7.990 1.350 1
1 95 . 2 1 1 A 10 10 ALA HA H 10 3.720 4.014 -0.294 1
1 99 . 2 1 1 A 10 10 ALA CA C 10 55.800 55.948 -0.148 1
1 100 . 2 1 1 A 10 10 ALA CB C 10 18.200 18.055 0.145 1
1 101 . 2 1 1 A 10 10 ALA N N 10 122.000 123.815 -1.815 1
1 102 . 2 1 1 A 11 11 GLN H H 11 7.330 7.592 -0.262 1
1 103 . 2 1 1 A 11 11 GLN HA H 11 4.050 4.046 0.004 1
1 110 . 2 1 1 A 11 11 GLN CA C 11 58.400 58.877 -0.477 1
1 111 . 2 1 1 A 11 11 GLN CB C 11 28.700 28.212 0.488 1
1 113 . 2 1 1 A 11 11 GLN N N 11 115.300 118.080 -2.780 1
1 115 . 2 1 1 A 12 12 LEU H H 12 8.510 7.825 0.685 1
1 116 . 2 1 1 A 12 12 LEU HA H 12 4.200 4.214 -0.014 1
1 126 . 2 1 1 A 12 12 LEU CA C 12 57.600 58.204 -0.604 1
1 127 . 2 1 1 A 12 12 LEU CB C 12 41.700 41.621 0.079 1
1 131 . 2 1 1 A 12 12 LEU N N 12 121.500 121.579 -0.079 1
1 132 . 2 1 1 A 13 13 ALA H H 13 9.160 8.581 0.579 1
1 133 . 2 1 1 A 13 13 ALA HA H 13 3.990 4.076 -0.086 1
1 137 . 2 1 1 A 13 13 ALA CA C 13 55.400 55.303 0.097 1
1 138 . 2 1 1 A 13 13 ALA CB C 13 17.700 17.804 -0.104 1
1 139 . 2 1 1 A 13 13 ALA N N 13 121.000 120.892 0.108 1
1 140 . 2 1 1 A 14 14 ASP H H 14 7.920 8.188 -0.268 1
1 141 . 2 1 1 A 14 14 ASP HA H 14 4.480 4.484 -0.004 1
1 144 . 2 1 1 A 14 14 ASP CA C 14 57.200 57.272 -0.072 1
1 145 . 2 1 1 A 14 14 ASP CB C 14 39.500 40.174 -0.674 1
1 146 . 2 1 1 A 14 14 ASP N N 14 117.400 117.914 -0.514 1
1 147 . 2 1 1 A 15 15 GLU H H 15 8.210 8.223 -0.013 1
1 148 . 2 1 1 A 15 15 GLU HA H 15 4.110 4.043 0.067 1
1 153 . 2 1 1 A 15 15 GLU CA C 15 59.800 59.424 0.376 1
1 154 . 2 1 1 A 15 15 GLU CB C 15 30.100 29.474 0.626 1
1 156 . 2 1 1 A 15 15 GLU N N 15 122.500 120.323 2.177 1
1 157 . 2 1 1 A 16 16 TYR H H 16 9.230 7.939 1.291 1
1 158 . 2 1 1 A 16 16 TYR HA H 16 3.180 4.083 -0.903 1
1 165 . 2 1 1 A 16 16 TYR CA C 16 61.100 61.422 -0.322 1
1 166 . 2 1 1 A 16 16 TYR CB C 16 38.300 38.379 -0.079 1
1 169 . 2 1 1 A 16 16 TYR N N 16 119.400 120.807 -1.407 1
1 170 . 2 1 1 A 17 17 PHE H H 17 8.700 8.329 0.371 1
1 171 . 2 1 1 A 17 17 PHE HA H 17 3.480 4.301 -0.821 1
1 178 . 2 1 1 A 17 17 PHE CA C 17 61.600 61.566 0.034 1
1 179 . 2 1 1 A 17 17 PHE CB C 17 39.300 39.118 0.182 1
1 182 . 2 1 1 A 17 17 PHE N N 17 118.400 121.224 -2.824 1
1 183 . 2 1 1 A 18 18 GLU H H 18 8.280 8.543 -0.263 1
1 184 . 2 1 1 A 18 18 GLU HA H 18 3.840 3.379 0.461 1
1 189 . 2 1 1 A 18 18 GLU CA C 18 58.800 59.502 -0.702 1
1 190 . 2 1 1 A 18 18 GLU CB C 18 29.000 28.947 0.053 1
1 192 . 2 1 1 A 18 18 GLU N N 18 118.500 117.432 1.068 1
1 193 . 2 1 1 A 19 19 ARG H H 19 8.350 7.385 0.965 1
1 194 . 2 1 1 A 19 19 ARG HA H 19 4.200 3.895 0.305 1
1 202 . 2 1 1 A 19 19 ARG CA C 19 57.300 58.889 -1.589 1
1 203 . 2 1 1 A 19 19 ARG CB C 19 30.900 30.357 0.543 1
1 206 . 2 1 1 A 19 19 ARG N N 19 114.300 119.421 -5.121 1
1 208 . 2 1 1 A 20 20 MET H H 20 7.960 7.857 0.103 1
1 209 . 2 1 1 A 20 20 MET HA H 20 4.610 4.262 0.348 1
1 217 . 2 1 1 A 20 20 MET CA C 20 54.100 57.557 -3.457 1
1 218 . 2 1 1 A 20 20 MET CB C 20 31.800 32.558 -0.758 1
1 221 . 2 1 1 A 20 20 MET N N 20 112.400 118.630 -6.230 1
1 222 . 2 1 1 A 21 21 ILE H H 21 6.970 7.369 -0.399 1
1 223 . 2 1 1 A 21 21 ILE HA H 21 4.050 4.158 -0.108 1
1 233 . 2 1 1 A 21 21 ILE CA C 21 59.800 60.111 -0.311 1
1 234 . 2 1 1 A 21 21 ILE CB C 21 35.900 37.377 -1.477 1
1 238 . 2 1 1 A 21 21 ILE N N 21 117.900 115.196 2.704 1
1 239 . 2 1 1 A 22 22 ALA H H 22 7.700 7.312 0.388 1
1 240 . 2 1 1 A 22 22 ALA HA H 22 3.600 3.808 -0.208 1
1 244 . 2 1 1 A 22 22 ALA CA C 22 53.900 50.832 3.068 1
1 245 . 2 1 1 A 22 22 ALA CB C 22 18.000 20.355 -2.355 1
1 246 . 2 1 1 A 22 22 ALA N N 22 123.500 124.340 -0.840 1
1 247 . 2 1 1 A 23 23 GLY H H 23 8.460 8.582 -0.122 1
1 248 . 2 1 1 A 23 23 GLY HA2 H 23 3.960 3.936 0.024 1
1 249 . 2 1 1 A 23 23 GLY HA3 H 23 3.820 3.957 -0.137 1
1 250 . 2 1 1 A 23 23 GLY CA C 23 45.600 47.320 -1.720 1
1 251 . 2 1 1 A 23 23 GLY N N 23 109.600 106.913 2.687 1
1 252 . 2 1 1 A 24 24 ARG H H 24 7.830 8.316 -0.486 1
1 253 . 2 1 1 A 24 24 ARG HA H 24 4.440 4.747 -0.307 1
1 261 . 2 1 1 A 24 24 ARG CA C 24 56.700 55.166 1.534 1
1 262 . 2 1 1 A 24 24 ARG CB C 24 32.400 31.996 0.404 1
1 265 . 2 1 1 A 24 24 ARG N N 24 118.400 124.702 -6.302 1
1 267 . 2 1 1 A 25 25 TRP H H 25 8.240 8.791 -0.551 1
1 268 . 2 1 1 A 25 25 TRP HA H 25 4.640 4.793 -0.153 1
1 277 . 2 1 1 A 25 25 TRP CA C 25 56.900 56.840 0.060 1
1 278 . 2 1 1 A 25 25 TRP CB C 25 31.400 31.025 0.375 1
1 284 . 2 1 1 A 25 25 TRP N N 25 121.500 123.889 -2.389 1
1 286 . 2 1 1 A 26 26 LYS H H 26 7.890 6.788 1.102 1
1 287 . 2 1 1 A 26 26 LYS HA H 26 3.910 3.727 0.183 1
1 296 . 2 1 1 A 26 26 LYS CA C 26 56.800 56.149 0.651 1
1 297 . 2 1 1 A 26 26 LYS CB C 26 32.200 31.792 0.408 1
1 301 . 2 1 1 A 26 26 LYS N N 26 122.500 119.059 3.441 1
1 302 . 2 1 1 A 27 27 HIS H H 27 7.840 8.569 -0.729 1
1 303 . 2 1 1 A 27 27 HIS HA H 27 5.230 4.350 0.880 1
1 307 . 2 1 1 A 27 27 HIS CA C 27 53.200 56.795 -3.595 1
1 308 . 2 1 1 A 27 27 HIS CB C 27 28.200 27.375 0.825 1
1 310 . 2 1 1 A 27 27 HIS N N 27 112.700 123.467 -10.767 1
1 311 . 2 1 1 A 28 28 PRO HA H 28 4.120 4.711 -0.591 1
1 318 . 2 1 1 A 28 28 PRO CA C 28 65.400 65.456 -0.056 1
1 319 . 2 1 1 A 28 28 PRO CB C 28 32.200 32.338 -0.138 1
1 322 . 2 1 1 A 29 29 ASN H H 29 8.840 9.042 -0.202 1
1 323 . 2 1 1 A 29 29 ASN HA H 29 4.470 4.495 -0.025 1
1 328 . 2 1 1 A 29 29 ASN CA C 29 56.100 55.465 0.635 1
1 329 . 2 1 1 A 29 29 ASN CB C 29 37.000 37.214 -0.214 1
1 330 . 2 1 1 A 29 29 ASN N N 29 116.300 114.664 1.636 1
1 332 . 2 1 1 A 30 30 ILE H H 30 7.630 7.579 0.051 1
1 333 . 2 1 1 A 30 30 ILE HA H 30 3.910 3.656 0.254 1
1 343 . 2 1 1 A 30 30 ILE CA C 30 63.700 64.920 -1.220 1
1 344 . 2 1 1 A 30 30 ILE CB C 30 37.300 37.993 -0.693 1
1 348 . 2 1 1 A 30 30 ILE N N 30 121.500 121.427 0.073 1
1 349 . 2 1 1 A 31 31 VAL H H 31 6.920 8.138 -1.218 1
1 350 . 2 1 1 A 31 31 VAL HA H 31 3.020 3.732 -0.712 1
1 358 . 2 1 1 A 31 31 VAL CA C 31 65.500 64.852 0.648 1
1 359 . 2 1 1 A 31 31 VAL CB C 31 30.900 31.782 -0.882 1
1 362 . 2 1 1 A 31 31 VAL N N 31 119.900 121.419 -1.519 1
1 363 . 2 1 1 A 32 32 ARG H H 32 8.080 8.365 -0.285 1
1 364 . 2 1 1 A 32 32 ARG HA H 32 3.380 3.687 -0.307 1
1 371 . 2 1 1 A 32 32 ARG CA C 32 58.900 59.385 -0.485 1
1 372 . 2 1 1 A 32 32 ARG CB C 32 28.800 29.474 -0.674 1
1 375 . 2 1 1 A 32 32 ARG N N 32 118.900 122.383 -3.483 1
1 376 . 2 1 1 A 33 33 SER H H 33 7.840 7.841 -0.001 1
1 377 . 2 1 1 A 33 33 SER HA H 33 4.130 4.007 0.123 1
1 380 . 2 1 1 A 33 33 SER CA C 33 61.900 61.614 0.286 1
1 381 . 2 1 1 A 33 33 SER CB C 33 62.700 62.849 -0.149 1
1 382 . 2 1 1 A 33 33 SER N N 33 113.400 115.171 -1.771 1
1 383 . 2 1 1 A 34 34 ARG H H 34 7.610 8.059 -0.449 1
1 384 . 2 1 1 A 34 34 ARG HA H 34 4.370 4.070 0.300 1
1 392 . 2 1 1 A 34 34 ARG CA C 34 58.100 58.457 -0.357 1
1 393 . 2 1 1 A 34 34 ARG CB C 34 29.600 29.505 0.095 1
1 396 . 2 1 1 A 34 34 ARG N N 34 119.900 118.992 0.908 1
1 398 . 2 1 1 A 35 35 ILE H H 35 8.070 7.667 0.403 1
1 399 . 2 1 1 A 35 35 ILE HA H 35 3.470 3.631 -0.161 1
1 409 . 2 1 1 A 35 35 ILE CA C 35 65.800 65.234 0.566 1
1 410 . 2 1 1 A 35 35 ILE CB C 35 38.200 37.992 0.208 1
1 414 . 2 1 1 A 35 35 ILE N N 35 118.600 121.099 -2.499 1
1 415 . 2 1 1 A 36 36 GLU H H 36 8.710 8.340 0.370 1
1 416 . 2 1 1 A 36 36 GLU HA H 36 3.880 4.124 -0.244 1
1 421 . 2 1 1 A 36 36 GLU CA C 36 58.400 57.753 0.647 1
1 422 . 2 1 1 A 36 36 GLU CB C 36 30.000 29.439 0.561 1
1 424 . 2 1 1 A 36 36 GLU N N 36 116.800 120.138 -3.338 1
1 425 . 2 1 1 A 37 37 LYS H H 37 8.550 7.812 0.738 1
1 426 . 2 1 1 A 37 37 LYS HA H 37 4.300 4.320 -0.020 1
1 435 . 2 1 1 A 37 37 LYS CA C 37 57.300 57.784 -0.484 1
1 436 . 2 1 1 A 37 37 LYS CB C 37 33.000 33.532 -0.532 1
1 440 . 2 1 1 A 37 37 LYS N N 37 114.300 119.993 -5.693 1
1 441 . 2 1 1 A 38 38 ASP H H 38 7.480 8.218 -0.738 1
1 442 . 2 1 1 A 38 38 ASP HA H 38 4.970 4.715 0.255 1
1 445 . 2 1 1 A 38 38 ASP CA C 38 55.300 55.640 -0.340 1
1 446 . 2 1 1 A 38 38 ASP CB C 38 42.700 41.700 1.000 1
1 447 . 2 1 1 A 38 38 ASP N N 38 113.900 118.290 -4.390 1
1 448 . 2 1 1 A 39 39 ILE H H 39 7.540 7.922 -0.382 1
1 449 . 2 1 1 A 39 39 ILE HA H 39 3.940 3.819 0.121 1
1 459 . 2 1 1 A 39 39 ILE CA C 39 64.700 65.305 -0.605 1
1 460 . 2 1 1 A 39 39 ILE CB C 39 39.000 38.168 0.832 1
1 464 . 2 1 1 A 39 39 ILE N N 39 116.800 118.940 -2.140 1
1 465 . 2 1 1 A 40 40 LYS H H 40 8.840 7.914 0.926 1
1 466 . 2 1 1 A 40 40 LYS HA H 40 3.650 4.742 -1.092 1
1 475 . 2 1 1 A 40 40 LYS CA C 40 50.600 54.033 -3.433 1
1 476 . 2 1 1 A 40 40 LYS CB C 40 30.400 33.039 -2.639 1
1 480 . 2 1 1 A 40 40 LYS N N 40 118.400 121.242 -2.842 1
1 481 . 2 1 1 A 41 41 PRO HA H 41 4.280 4.501 -0.221 1
1 488 . 2 1 1 A 41 41 PRO CA C 41 65.700 65.614 0.086 1
1 489 . 2 1 1 A 41 41 PRO CB C 41 30.700 31.780 -1.080 1
1 492 . 2 1 1 A 42 42 ALA H H 42 6.660 8.234 -1.574 1
1 493 . 2 1 1 A 42 42 ALA HA H 42 4.430 4.568 -0.138 1
1 497 . 2 1 1 A 42 42 ALA CA C 42 53.800 51.650 2.150 1
1 498 . 2 1 1 A 42 42 ALA CB C 42 20.800 20.770 0.030 1
1 499 . 2 1 1 A 42 42 ALA N N 42 115.300 117.903 -2.603 1
1 500 . 2 1 1 A 43 43 ILE H H 43 7.540 7.816 -0.276 1
1 501 . 2 1 1 A 43 43 ILE HA H 43 4.810 4.426 0.384 1
1 511 . 2 1 1 A 43 43 ILE CA C 43 60.600 60.105 0.495 1
1 512 . 2 1 1 A 43 43 ILE CB C 43 41.200 37.568 3.632 1
1 516 . 2 1 1 A 43 43 ILE N N 43 105.000 115.086 -10.086 1
1 517 . 2 1 1 A 44 44 GLY H H 44 8.500 8.283 0.217 1
1 518 . 2 1 1 A 44 44 GLY HA2 H 44 4.170 3.832 0.338 1
1 519 . 2 1 1 A 44 44 GLY HA3 H 44 3.430 3.837 -0.407 1
1 520 . 2 1 1 A 44 44 GLY CA C 44 47.300 47.622 -0.322 1
1 521 . 2 1 1 A 44 44 GLY N N 44 109.600 112.148 -2.548 1
1 522 . 2 1 1 A 45 45 SER H H 45 8.120 7.799 0.321 1
1 523 . 2 1 1 A 45 45 SER HA H 45 4.440 4.388 0.052 1
1 526 . 2 1 1 A 45 45 SER CA C 45 58.600 58.754 -0.154 1
1 527 . 2 1 1 A 45 45 SER CB C 45 63.400 63.404 -0.004 1
1 528 . 2 1 1 A 45 45 SER N N 45 110.400 113.359 -2.959 1
1 529 . 2 1 1 A 46 46 LEU H H 46 7.480 7.276 0.204 1
1 530 . 2 1 1 A 46 46 LEU HA H 46 4.180 4.310 -0.130 1
1 540 . 2 1 1 A 46 46 LEU CA C 46 54.800 55.144 -0.344 1
1 541 . 2 1 1 A 46 46 LEU CB C 46 41.700 43.306 -1.606 1
1 545 . 2 1 1 A 46 46 LEU N N 46 122.600 124.609 -2.009 1
1 546 . 2 1 1 A 47 47 LYS H H 47 8.790 8.219 0.571 1
1 547 . 2 1 1 A 47 47 LYS HA H 47 4.460 4.140 0.320 1
1 556 . 2 1 1 A 47 47 LYS CA C 47 56.700 56.793 -0.093 1
1 557 . 2 1 1 A 47 47 LYS CB C 47 31.100 33.701 -2.601 1
1 561 . 2 1 1 A 47 47 LYS N N 47 120.800 125.471 -4.671 1
1 562 . 2 1 1 A 48 48 VAL H H 48 8.600 8.738 -0.138 1
1 563 . 2 1 1 A 48 48 VAL HA H 48 3.470 3.750 -0.280 1
1 571 . 2 1 1 A 48 48 VAL CA C 48 66.900 66.018 0.882 1
1 572 . 2 1 1 A 48 48 VAL CB C 48 31.000 31.702 -0.702 1
1 575 . 2 1 1 A 48 48 VAL N N 48 123.000 124.978 -1.978 1
1 576 . 2 1 1 A 49 49 GLU H H 49 9.360 8.489 0.871 1
1 577 . 2 1 1 A 49 49 GLU HA H 49 4.180 4.227 -0.047 1
1 582 . 2 1 1 A 49 49 GLU CA C 49 57.600 58.582 -0.982 1
1 583 . 2 1 1 A 49 49 GLU CB C 49 28.500 29.471 -0.971 1
1 585 . 2 1 1 A 49 49 GLU N N 49 115.300 120.502 -5.202 1
1 586 . 2 1 1 A 50 50 ASP H H 50 7.840 7.921 -0.081 1
1 587 . 2 1 1 A 50 50 ASP HA H 50 4.840 4.707 0.133 1
1 590 . 2 1 1 A 50 50 ASP CA C 50 53.800 54.685 -0.885 1
1 591 . 2 1 1 A 50 50 ASP CB C 50 41.400 41.598 -0.198 1
1 592 . 2 1 1 A 50 50 ASP N N 50 118.900 118.209 0.691 1
1 593 . 2 1 1 A 51 51 VAL H H 51 7.150 7.412 -0.262 1
1 594 . 2 1 1 A 51 51 VAL HA H 51 3.950 4.207 -0.257 1
1 602 . 2 1 1 A 51 51 VAL CA C 51 63.700 61.687 2.013 1
1 603 . 2 1 1 A 51 51 VAL CB C 51 30.900 30.555 0.345 1
1 606 . 2 1 1 A 51 51 VAL N N 51 119.900 121.235 -1.335 1
1 607 . 2 1 1 A 52 52 LYS H H 52 11.840 8.614 3.226 1
1 608 . 2 1 1 A 52 52 LYS HA H 52 4.980 4.673 0.307 1
1 617 . 2 1 1 A 52 52 LYS CA C 52 52.800 54.791 -1.991 1
1 618 . 2 1 1 A 52 52 LYS CB C 52 33.100 32.343 0.757 1
1 622 . 2 1 1 A 52 52 LYS N N 52 133.900 125.919 7.981 1
1 623 . 2 1 1 A 53 53 PRO HA H 53 4.370 4.195 0.175 1
1 630 . 2 1 1 A 53 53 PRO CA C 53 66.600 65.685 0.915 1
1 631 . 2 1 1 A 53 53 PRO CB C 53 31.600 31.832 -0.232 1
1 634 . 2 1 1 A 54 54 ARG H H 54 8.180 8.407 -0.227 1
1 635 . 2 1 1 A 54 54 ARG HA H 54 4.200 3.998 0.202 1
1 643 . 2 1 1 A 54 54 ARG CA C 54 58.300 58.918 -0.618 1
1 644 . 2 1 1 A 54 54 ARG CB C 54 28.700 29.751 -1.051 1
1 647 . 2 1 1 A 54 54 ARG N N 54 113.800 118.566 -4.766 1
1 649 . 2 1 1 A 55 55 HIS H H 55 7.650 7.693 -0.043 1
1 650 . 2 1 1 A 55 55 HIS HA H 55 4.430 4.441 -0.011 1
1 655 . 2 1 1 A 55 55 HIS CA C 55 60.500 59.582 0.918 1
1 656 . 2 1 1 A 55 55 HIS CB C 55 31.400 29.667 1.733 1
1 659 . 2 1 1 A 55 55 HIS N N 55 118.400 118.210 0.190 1
1 660 . 2 1 1 A 56 56 ILE H H 56 7.280 7.848 -0.568 1
1 661 . 2 1 1 A 56 56 ILE HA H 56 3.480 3.656 -0.176 1
1 671 . 2 1 1 A 56 56 ILE CA C 56 61.900 64.352 -2.452 1
1 672 . 2 1 1 A 56 56 ILE CB C 56 33.900 36.476 -2.576 1
1 676 . 2 1 1 A 56 56 ILE N N 56 117.400 119.795 -2.395 1
1 677 . 2 1 1 A 57 57 ASP H H 57 8.010 8.498 -0.488 1
1 678 . 2 1 1 A 57 57 ASP HA H 57 4.220 4.212 0.008 1
1 681 . 2 1 1 A 57 57 ASP CA C 57 57.200 57.831 -0.631 1
1 682 . 2 1 1 A 57 57 ASP CB C 57 40.900 41.252 -0.352 1
1 683 . 2 1 1 A 57 57 ASP N N 57 119.400 122.117 -2.717 1
1 684 . 2 1 1 A 58 58 ASP H H 58 8.000 8.092 -0.092 1
1 685 . 2 1 1 A 58 58 ASP HA H 58 4.380 4.430 -0.050 1
1 688 . 2 1 1 A 58 58 ASP CA C 58 57.600 57.146 0.454 1
1 689 . 2 1 1 A 58 58 ASP CB C 58 39.200 40.376 -1.176 1
1 690 . 2 1 1 A 58 58 ASP N N 58 117.400 118.110 -0.710 1
1 691 . 2 1 1 A 59 59 VAL H H 59 7.800 7.337 0.463 1
1 692 . 2 1 1 A 59 59 VAL HA H 59 3.620 3.780 -0.160 1
1 700 . 2 1 1 A 59 59 VAL CA C 59 66.200 65.623 0.577 1
1 701 . 2 1 1 A 59 59 VAL CB C 59 31.400 31.408 -0.008 1
1 704 . 2 1 1 A 59 59 VAL N N 59 121.200 116.042 5.158 1
1 705 . 2 1 1 A 60 60 LEU H H 60 8.030 8.428 -0.398 1
1 706 . 2 1 1 A 60 60 LEU HA H 60 3.870 3.864 0.006 1
1 716 . 2 1 1 A 60 60 LEU CA C 60 58.000 58.057 -0.057 1
1 717 . 2 1 1 A 60 60 LEU CB C 60 40.300 40.924 -0.624 1
1 721 . 2 1 1 A 60 60 LEU N N 60 118.900 121.709 -2.809 1
1 722 . 2 1 1 A 61 61 LYS H H 61 8.710 8.207 0.503 1
1 723 . 2 1 1 A 61 61 LYS HA H 61 3.920 4.011 -0.091 1
1 732 . 2 1 1 A 61 61 LYS CA C 61 59.600 58.901 0.699 1
1 733 . 2 1 1 A 61 61 LYS CB C 61 32.500 31.811 0.689 1
1 737 . 2 1 1 A 61 61 LYS N N 61 118.300 118.217 0.083 1
1 738 . 2 1 1 A 62 62 ALA H H 62 7.590 7.915 -0.325 1
1 739 . 2 1 1 A 62 62 ALA HA H 62 4.170 4.082 0.088 1
1 743 . 2 1 1 A 62 62 ALA CA C 62 55.100 54.827 0.273 1
1 744 . 2 1 1 A 62 62 ALA CB C 62 17.900 18.298 -0.398 1
1 745 . 2 1 1 A 62 62 ALA N N 62 121.000 121.509 -0.509 1
1 746 . 2 1 1 A 63 63 VAL H H 63 8.090 8.000 0.090 1
1 747 . 2 1 1 A 63 63 VAL HA H 63 3.710 3.801 -0.091 1
1 755 . 2 1 1 A 63 63 VAL CA C 63 65.700 64.950 0.750 1
1 756 . 2 1 1 A 63 63 VAL CB C 63 31.700 31.646 0.054 1
1 759 . 2 1 1 A 63 63 VAL N N 63 118.000 117.278 0.722 1
1 760 . 2 1 1 A 64 64 MET H H 64 8.360 7.999 0.361 1
1 761 . 2 1 1 A 64 64 MET HA H 64 4.110 4.173 -0.063 1
1 769 . 2 1 1 A 64 64 MET CA C 64 57.600 57.943 -0.343 1
1 770 . 2 1 1 A 64 64 MET CB C 64 31.700 32.438 -0.738 1
1 773 . 2 1 1 A 64 64 MET N N 64 119.400 120.091 -0.691 1
1 774 . 2 1 1 A 65 65 LYS H H 65 7.660 7.810 -0.150 1
1 775 . 2 1 1 A 65 65 LYS HA H 65 4.170 4.074 0.096 1
1 784 . 2 1 1 A 65 65 LYS CA C 65 58.100 59.213 -1.113 1
1 785 . 2 1 1 A 65 65 LYS CB C 65 32.500 32.287 0.213 1
1 789 . 2 1 1 A 65 65 LYS N N 65 118.900 119.639 -0.739 1
1 790 . 2 1 1 A 66 66 ARG H H 66 7.600 7.590 0.010 1
1 791 . 2 1 1 A 66 66 ARG HA H 66 4.430 4.245 0.185 1
1 799 . 2 1 1 A 66 66 ARG CA C 66 56.600 57.494 -0.894 1
1 800 . 2 1 1 A 66 66 ARG CB C 66 30.400 30.627 -0.227 1
1 803 . 2 1 1 A 66 66 ARG N N 66 115.800 118.817 -3.017 1
1 805 . 2 1 1 A 67 67 GLY H H 67 7.830 7.613 0.217 1
1 806 . 2 1 1 A 67 67 GLY HA2 H 67 4.010 4.004 0.006 1
1 807 . 2 1 1 A 67 67 GLY HA3 H 67 3.980 4.005 -0.025 1
1 808 . 2 1 1 A 67 67 GLY CA C 67 45.700 45.059 0.641 1
1 809 . 2 1 1 A 67 67 GLY N N 67 107.400 109.767 -2.367 1
1 810 . 2 1 1 A 68 68 ALA H H 68 7.730 8.216 -0.486 1
1 811 . 2 1 1 A 68 68 ALA HA H 68 4.980 4.696 0.284 1
1 815 . 2 1 1 A 68 68 ALA CA C 68 49.700 49.950 -0.250 1
1 816 . 2 1 1 A 68 68 ALA CB C 68 18.900 21.763 -2.863 1
1 817 . 2 1 1 A 68 68 ALA N N 68 122.500 122.968 -0.468 1
1 818 . 2 1 1 A 69 69 PRO HA H 69 4.350 4.364 -0.014 1
1 825 . 2 1 1 A 69 69 PRO CA C 69 65.400 65.530 -0.130 1
1 826 . 2 1 1 A 69 69 PRO CB C 69 31.700 31.753 -0.053 1
1 829 . 2 1 1 A 70 70 SER H H 70 8.430 8.479 -0.049 1
1 830 . 2 1 1 A 70 70 SER HA H 70 4.250 4.250 0.000 1
1 833 . 2 1 1 A 70 70 SER CA C 70 61.000 61.571 -0.571 1
1 834 . 2 1 1 A 70 70 SER CB C 70 61.500 62.907 -1.407 1
1 835 . 2 1 1 A 70 70 SER N N 70 112.200 112.755 -0.555 1
1 836 . 2 1 1 A 71 71 ILE H H 71 7.430 8.092 -0.662 1
1 837 . 2 1 1 A 71 71 ILE HA H 71 3.980 3.787 0.193 1
1 847 . 2 1 1 A 71 71 ILE CA C 71 63.100 64.663 -1.563 1
1 848 . 2 1 1 A 71 71 ILE CB C 71 36.700 36.737 -0.037 1
1 852 . 2 1 1 A 71 71 ILE N N 71 122.000 121.767 0.233 1
1 853 . 2 1 1 A 72 72 ALA H H 72 7.780 8.317 -0.537 1
1 854 . 2 1 1 A 72 72 ALA HA H 72 3.910 4.041 -0.131 1
1 858 . 2 1 1 A 72 72 ALA CA C 72 55.800 55.816 -0.016 1
1 859 . 2 1 1 A 72 72 ALA CB C 72 17.900 18.247 -0.347 1
1 860 . 2 1 1 A 72 72 ALA N N 72 126.100 122.645 3.455 1
1 861 . 2 1 1 A 73 73 ASN H H 73 8.180 8.523 -0.343 1
1 862 . 2 1 1 A 73 73 ASN HA H 73 4.410 4.687 -0.277 1
1 867 . 2 1 1 A 73 73 ASN CA C 73 55.900 56.510 -0.610 1
1 868 . 2 1 1 A 73 73 ASN CB C 73 37.800 37.851 -0.051 1
1 869 . 2 1 1 A 73 73 ASN N N 73 116.700 117.662 -0.962 1
1 871 . 2 1 1 A 74 74 ASP H H 74 8.120 8.459 -0.339 1
1 872 . 2 1 1 A 74 74 ASP HA H 74 4.410 4.434 -0.024 1
1 875 . 2 1 1 A 74 74 ASP CA C 74 57.500 57.382 0.118 1
1 876 . 2 1 1 A 74 74 ASP CB C 74 41.400 41.789 -0.389 1
1 877 . 2 1 1 A 74 74 ASP N N 74 120.800 119.563 1.237 1
1 878 . 2 1 1 A 75 75 THR H H 75 8.360 8.141 0.219 1
1 879 . 2 1 1 A 75 75 THR HA H 75 3.750 4.154 -0.404 1
1 884 . 2 1 1 A 75 75 THR CA C 75 68.800 67.142 1.658 1
1 885 . 2 1 1 A 75 75 THR CB C 75 67.700 67.877 -0.177 1
1 887 . 2 1 1 A 75 75 THR N N 75 116.300 116.358 -0.058 1
1 888 . 2 1 1 A 76 76 LEU H H 76 8.160 8.583 -0.423 1
1 889 . 2 1 1 A 76 76 LEU HA H 76 3.980 4.112 -0.132 1
1 899 . 2 1 1 A 76 76 LEU CA C 76 58.000 58.369 -0.369 1
1 900 . 2 1 1 A 76 76 LEU CB C 76 40.500 41.640 -1.140 1
1 904 . 2 1 1 A 76 76 LEU N N 76 121.000 121.265 -0.265 1
1 905 . 2 1 1 A 77 77 ARG H H 77 7.810 8.658 -0.848 1
1 906 . 2 1 1 A 77 77 ARG HA H 77 3.790 3.898 -0.108 1
1 914 . 2 1 1 A 77 77 ARG CA C 77 60.000 59.595 0.405 1
1 915 . 2 1 1 A 77 77 ARG CB C 77 29.400 29.808 -0.408 1
1 918 . 2 1 1 A 77 77 ARG N N 77 118.400 119.455 -1.055 1
1 920 . 2 1 1 A 78 78 TRP H H 78 7.870 8.034 -0.164 1
1 921 . 2 1 1 A 78 78 TRP HA H 78 4.490 4.392 0.098 1
1 930 . 2 1 1 A 78 78 TRP CA C 78 60.200 60.938 -0.738 1
1 931 . 2 1 1 A 78 78 TRP CB C 78 28.700 30.038 -1.338 1
1 937 . 2 1 1 A 78 78 TRP N N 78 118.300 121.518 -3.218 1
1 939 . 2 1 1 A 79 79 LEU H H 79 8.630 8.973 -0.343 1
1 940 . 2 1 1 A 79 79 LEU HA H 79 3.940 3.750 0.190 1
1 950 . 2 1 1 A 79 79 LEU CA C 79 58.200 58.008 0.192 1
1 951 . 2 1 1 A 79 79 LEU CB C 79 42.300 41.611 0.689 1
1 955 . 2 1 1 A 79 79 LEU N N 79 120.200 119.702 0.498 1
1 956 . 2 1 1 A 80 80 LYS H H 80 8.710 8.475 0.235 1
1 957 . 2 1 1 A 80 80 LYS HA H 80 3.880 4.096 -0.216 1
1 966 . 2 1 1 A 80 80 LYS CA C 80 61.300 59.727 1.573 1
1 967 . 2 1 1 A 80 80 LYS CB C 80 32.300 32.460 -0.160 1
1 971 . 2 1 1 A 80 80 LYS N N 80 118.400 120.152 -1.752 1
1 972 . 2 1 1 A 81 81 ARG H H 81 7.800 7.603 0.197 1
1 973 . 2 1 1 A 81 81 ARG HA H 81 4.030 3.819 0.211 1
1 981 . 2 1 1 A 81 81 ARG CA C 81 59.700 59.176 0.524 1
1 982 . 2 1 1 A 81 81 ARG CB C 81 30.400 29.601 0.799 1
1 985 . 2 1 1 A 81 81 ARG N N 81 117.400 118.256 -0.856 1
1 987 . 2 1 1 A 82 82 MET H H 82 8.530 7.257 1.273 1
1 988 . 2 1 1 A 82 82 MET HA H 82 3.000 3.407 -0.407 1
1 996 . 2 1 1 A 82 82 MET CA C 82 58.900 58.125 0.775 1
1 997 . 2 1 1 A 82 82 MET CB C 82 32.300 31.453 0.847 1
1 1000 . 2 1 1 A 82 82 MET N N 82 121.400 118.586 2.814 1
1 1001 . 2 1 1 A 83 83 PHE H H 83 8.340 8.046 0.294 1
1 1002 . 2 1 1 A 83 83 PHE HA H 83 4.340 4.311 0.029 1
1 1010 . 2 1 1 A 83 83 PHE CA C 83 61.900 61.368 0.532 1
1 1011 . 2 1 1 A 83 83 PHE CB C 83 38.800 38.583 0.217 1
1 1015 . 2 1 1 A 83 83 PHE N N 83 116.900 118.174 -1.274 1
1 1016 . 2 1 1 A 84 84 ASN H H 84 8.170 8.776 -0.606 1
1 1017 . 2 1 1 A 84 84 ASN HA H 84 4.670 4.498 0.172 1
1 1022 . 2 1 1 A 84 84 ASN CA C 84 55.800 56.078 -0.278 1
1 1023 . 2 1 1 A 84 84 ASN CB C 84 37.500 39.251 -1.751 1
1 1024 . 2 1 1 A 84 84 ASN N N 84 120.500 118.310 2.190 1
1 1026 . 2 1 1 A 85 85 TYR H H 85 7.910 8.206 -0.296 1
1 1027 . 2 1 1 A 85 85 TYR HA H 85 4.320 4.206 0.114 1
1 1034 . 2 1 1 A 85 85 TYR CA C 85 61.100 62.305 -1.205 1
1 1035 . 2 1 1 A 85 85 TYR CB C 85 37.900 38.640 -0.740 1
1 1038 . 2 1 1 A 85 85 TYR N N 85 124.000 120.832 3.168 1
1 1039 . 2 1 1 A 86 86 ALA H H 86 7.780 8.149 -0.369 1
1 1040 . 2 1 1 A 86 86 ALA HA H 86 3.670 4.128 -0.458 1
1 1044 . 2 1 1 A 86 86 ALA CA C 86 54.800 54.838 -0.038 1
1 1045 . 2 1 1 A 86 86 ALA CB C 86 18.100 18.382 -0.282 1
1 1046 . 2 1 1 A 86 86 ALA N N 86 120.500 121.521 -1.021 1
1 1047 . 2 1 1 A 87 87 ILE H H 87 7.880 7.708 0.172 1
1 1048 . 2 1 1 A 87 87 ILE HA H 87 4.240 3.653 0.587 1
1 1058 . 2 1 1 A 87 87 ILE CA C 87 63.900 65.414 -1.514 1
1 1059 . 2 1 1 A 87 87 ILE CB C 87 37.900 37.667 0.233 1
1 1063 . 2 1 1 A 87 87 ILE N N 87 120.400 119.348 1.052 1
1 1064 . 2 1 1 A 88 88 LYS H H 88 7.880 7.764 0.116 1
1 1065 . 2 1 1 A 88 88 LYS HA H 88 3.900 3.755 0.145 1
1 1074 . 2 1 1 A 88 88 LYS CA C 88 58.900 60.285 -1.385 1
1 1075 . 2 1 1 A 88 88 LYS CB C 88 31.300 32.008 -0.708 1
1 1079 . 2 1 1 A 88 88 LYS N N 88 124.300 118.855 5.445 1
1 1080 . 2 1 1 A 89 89 ARG H H 89 7.350 7.442 -0.092 1
1 1081 . 2 1 1 A 89 89 ARG HA H 89 4.020 4.139 -0.119 1
1 1088 . 2 1 1 A 89 89 ARG CA C 89 54.600 55.928 -1.328 1
1 1089 . 2 1 1 A 89 89 ARG CB C 89 29.100 30.205 -1.105 1
1 1092 . 2 1 1 A 89 89 ARG N N 89 114.300 116.794 -2.494 1
1 1093 . 2 1 1 A 90 90 HIS H H 90 8.030 8.115 -0.085 1
1 1094 . 2 1 1 A 90 90 HIS HA H 90 4.330 4.194 0.136 1
1 1098 . 2 1 1 A 90 90 HIS CA C 90 56.300 57.031 -0.731 1
1 1099 . 2 1 1 A 90 90 HIS CB C 90 25.200 26.477 -1.277 1
1 1101 . 2 1 1 A 90 90 HIS N N 90 113.200 113.581 -0.381 1
1 1102 . 2 1 1 A 91 91 ILE H H 91 8.370 7.929 0.441 1
1 1103 . 2 1 1 A 91 91 ILE HA H 91 3.830 3.628 0.202 1
1 1113 . 2 1 1 A 91 91 ILE CA C 91 63.600 64.479 -0.879 1
1 1114 . 2 1 1 A 91 91 ILE CB C 91 39.300 38.208 1.092 1
1 1118 . 2 1 1 A 91 91 ILE N N 91 118.400 119.279 -0.879 1
1 1119 . 2 1 1 A 92 92 ILE H H 92 6.860 7.207 -0.347 1
1 1120 . 2 1 1 A 92 92 ILE HA H 92 4.570 4.425 0.145 1
1 1130 . 2 1 1 A 92 92 ILE CA C 92 58.800 61.320 -2.520 1
1 1131 . 2 1 1 A 92 92 ILE CB C 92 42.700 40.198 2.502 1
1 1135 . 2 1 1 A 92 92 ILE N N 92 108.600 115.515 -6.915 1
1 1136 . 2 1 1 A 93 93 GLU H H 93 8.690 8.274 0.416 1
1 1137 . 2 1 1 A 93 93 GLU HA H 93 4.470 3.865 0.605 1
1 1142 . 2 1 1 A 93 93 GLU CA C 93 56.400 57.791 -1.391 1
1 1143 . 2 1 1 A 93 93 GLU CB C 93 31.200 29.089 2.111 1
1 1145 . 2 1 1 A 93 93 GLU N N 93 116.800 122.268 -5.468 1
1 1146 . 2 1 1 A 94 94 TYR H H 94 7.420 7.884 -0.464 1
1 1147 . 2 1 1 A 94 94 TYR HA H 94 4.710 4.936 -0.226 1
1 1154 . 2 1 1 A 94 94 TYR CA C 94 55.800 57.008 -1.208 1
1 1155 . 2 1 1 A 94 94 TYR CB C 94 40.600 41.268 -0.668 1
1 1158 . 2 1 1 A 94 94 TYR N N 94 117.900 120.060 -2.160 1
1 1159 . 2 1 1 A 95 95 ASN H H 95 8.960 8.808 0.152 1
1 1160 . 2 1 1 A 95 95 ASN HA H 95 4.550 5.235 -0.685 1
1 1165 . 2 1 1 A 95 95 ASN CA C 95 49.700 49.420 0.280 1
1 1166 . 2 1 1 A 95 95 ASN CB C 95 39.200 39.235 -0.035 1
1 1167 . 2 1 1 A 95 95 ASN N N 95 122.500 122.590 -0.090 1
1 1169 . 2 1 1 A 96 96 PRO HA H 96 4.300 4.268 0.032 1
1 1176 . 2 1 1 A 96 96 PRO CA C 96 64.000 64.158 -0.158 1
1 1177 . 2 1 1 A 96 96 PRO CB C 96 31.100 31.615 -0.515 1
1 1180 . 2 1 1 A 97 97 ALA H H 97 8.090 7.896 0.194 1
1 1181 . 2 1 1 A 97 97 ALA HA H 97 4.540 4.396 0.144 1
1 1185 . 2 1 1 A 97 97 ALA CA C 97 51.200 53.376 -2.176 1
1 1186 . 2 1 1 A 97 97 ALA CB C 97 18.900 19.030 -0.130 1
1 1187 . 2 1 1 A 97 97 ALA N N 97 118.400 119.658 -1.258 1
1 1188 . 2 1 1 A 98 98 ALA H H 98 7.330 7.702 -0.372 1
1 1189 . 2 1 1 A 98 98 ALA HA H 98 3.990 4.248 -0.258 1
1 1193 . 2 1 1 A 98 98 ALA CA C 98 54.700 53.468 1.232 1
1 1194 . 2 1 1 A 98 98 ALA CB C 98 18.900 18.493 0.407 1
1 1195 . 2 1 1 A 98 98 ALA N N 98 120.500 120.353 0.147 1
1 1196 . 2 1 1 A 99 99 ALA H H 99 8.020 7.868 0.152 1
1 1197 . 2 1 1 A 99 99 ALA HA H 99 4.180 4.375 -0.195 1
1 1201 . 2 1 1 A 99 99 ALA CA C 99 52.500 52.770 -0.270 1
1 1202 . 2 1 1 A 99 99 ALA CB C 99 18.200 19.546 -1.346 1
1 1203 . 2 1 1 A 99 99 ALA N N 99 117.400 119.833 -2.433 1
1 1204 . 2 1 1 A 100 100 PHE H H 100 7.320 7.423 -0.103 1
1 1205 . 2 1 1 A 100 100 PHE HA H 100 4.360 4.785 -0.425 1
1 1210 . 2 1 1 A 100 100 PHE CA C 100 57.700 57.144 0.556 1
1 1211 . 2 1 1 A 100 100 PHE CB C 100 40.500 42.943 -2.443 1
1 1213 . 2 1 1 A 100 100 PHE N N 100 117.400 119.271 -1.871 1
1 1214 . 2 1 1 A 101 101 ASP H H 101 8.520 7.972 0.548 1
1 1215 . 2 1 1 A 101 101 ASP HA H 101 4.910 5.008 -0.098 1
1 1218 . 2 1 1 A 101 101 ASP CA C 101 51.400 50.851 0.549 1
1 1219 . 2 1 1 A 101 101 ASP CB C 101 41.400 42.492 -1.092 1
1 1220 . 2 1 1 A 101 101 ASP N N 101 122.600 126.952 -4.352 1
1 1221 . 2 1 1 A 102 102 PRO HA H 102 4.350 4.434 -0.084 1
1 1228 . 2 1 1 A 102 102 PRO CA C 102 63.400 64.183 -0.783 1
1 1229 . 2 1 1 A 102 102 PRO CB C 102 31.900 31.985 -0.085 1
1 1232 . 2 1 1 A 103 103 GLY H H 103 8.440 7.946 0.494 1
1 1233 . 2 1 1 A 103 103 GLY HA2 H 103 3.890 3.887 0.003 1
1 1234 . 2 1 1 A 103 103 GLY HA3 H 103 3.860 3.927 -0.067 1
1 1235 . 2 1 1 A 103 103 GLY CA C 103 45.100 46.931 -1.831 1
1 1236 . 2 1 1 A 103 103 GLY N N 103 108.300 109.495 -1.195 1
1 1237 . 2 1 1 A 104 104 ASP H H 104 8.100 8.116 -0.016 1
1 1238 . 2 1 1 A 104 104 ASP HA H 104 4.620 4.829 -0.209 1
1 1241 . 2 1 1 A 104 104 ASP CA C 104 53.900 54.381 -0.481 1
1 1242 . 2 1 1 A 104 104 ASP CB C 104 40.700 41.501 -0.801 1
1 1243 . 2 1 1 A 104 104 ASP N N 104 120.100 120.238 -0.138 1
1 1244 . 2 1 1 A 105 105 ALA H H 105 8.360 8.838 -0.478 1
1 1245 . 2 1 1 A 105 105 ALA HA H 105 4.270 4.760 -0.490 1
1 1249 . 2 1 1 A 105 105 ALA CA C 105 52.900 51.294 1.606 1
1 1250 . 2 1 1 A 105 105 ALA CB C 105 18.800 23.473 -4.673 1
1 1251 . 2 1 1 A 105 105 ALA N N 105 124.600 126.837 -2.237 1
1 1252 . 2 1 1 A 106 106 GLY H H 106 8.470 8.872 -0.402 1
1 1253 . 2 1 1 A 106 106 GLY HA2 H 106 3.930 4.004 -0.074 1
1 1254 . 2 1 1 A 106 106 GLY HA3 H 106 3.910 4.010 -0.100 1
1 1255 . 2 1 1 A 106 106 GLY CA C 106 45.400 46.584 -1.184 1
1 1256 . 2 1 1 A 106 106 GLY N N 106 107.500 106.177 1.323 1
1 1257 . 2 1 1 A 107 107 GLY H H 107 8.170 8.455 -0.285 1
1 1258 . 2 1 1 A 107 107 GLY HA2 H 107 3.950 4.129 -0.179 1
1 1259 . 2 1 1 A 107 107 GLY HA3 H 107 3.940 4.132 -0.192 1
1 1260 . 2 1 1 A 107 107 GLY CA C 107 45.300 45.174 0.126 1
1 1261 . 2 1 1 A 107 107 GLY N N 107 108.600 113.349 -4.749 1
1 1262 . 2 1 1 A 108 108 LYS H H 108 8.160 7.579 0.581 1
1 1263 . 2 1 1 A 108 108 LYS HA H 108 4.260 4.429 -0.169 1
1 1272 . 2 1 1 A 108 108 LYS CA C 108 56.500 56.082 0.418 1
1 1273 . 2 1 1 A 108 108 LYS CB C 108 32.800 33.718 -0.918 1
1 1277 . 2 1 1 A 108 108 LYS N N 108 120.500 120.165 0.335 1
1 1278 . 2 1 1 A 109 109 LEU H H 109 8.220 8.324 -0.104 1
1 1279 . 2 1 1 A 109 109 LEU HA H 109 4.260 4.637 -0.377 1
1 1289 . 2 1 1 A 109 109 LEU CA C 109 55.000 54.353 0.647 1
1 1290 . 2 1 1 A 109 109 LEU CB C 109 41.900 42.613 -0.713 1
1 1294 . 2 1 1 A 109 109 LEU N N 109 122.200 122.928 -0.728 1
1 1295 . 2 1 1 A 110 110 GLU H H 110 8.160 8.540 -0.380 1
1 1296 . 2 1 1 A 110 110 GLU HA H 110 4.190 4.604 -0.414 1
1 1301 . 2 1 1 A 110 110 GLU CA C 110 56.000 56.181 -0.181 1
1 1302 . 2 1 1 A 110 110 GLU CB C 110 29.900 30.029 -0.129 1
1 1304 . 2 1 1 A 110 110 GLU N N 110 121.000 128.330 -7.330 1
1 1305 . 2 1 1 A 111 111 HIS H H 111 8.460 8.581 -0.121 1
1 1306 . 2 1 1 A 111 111 HIS HA H 111 4.630 5.638 -1.008 1
1 1309 . 2 1 1 A 111 111 HIS CA C 111 54.900 53.801 1.099 1
1 1310 . 2 1 1 A 111 111 HIS CB C 111 28.700 32.349 -3.649 1
1 1311 . 2 1 1 A 111 111 HIS N N 111 118.900 122.526 -3.626 1
1 1312 . 2 1 1 A 112 112 HIS H H 112 8.540 8.843 -0.303 1
1 1313 . 2 1 1 A 112 112 HIS HA H 112 4.640 4.874 -0.234 1
1 1316 . 2 1 1 A 112 112 HIS CA C 112 55.100 54.584 0.516 1
1 1317 . 2 1 1 A 112 112 HIS CB C 112 28.900 33.593 -4.693 1
1 1318 . 2 1 1 A 112 112 HIS N N 112 119.100 120.709 -1.609 1
1 1319 . 2 1 1 A 113 113 HIS H H 113 8.630 8.826 -0.196 1
1 1320 . 2 1 1 A 113 113 HIS HA H 113 4.670 5.447 -0.777 1
1 1323 . 2 1 1 A 113 113 HIS CA C 113 55.200 53.836 1.364 1
1 1324 . 2 1 1 A 113 113 HIS CB C 113 28.900 32.425 -3.525 1
1 1325 . 2 1 1 A 113 113 HIS N N 113 119.400 118.614 0.786 1
1 1326 . 2 1 1 A 114 114 HIS H H 114 8.670 9.060 -0.390 1
1 1327 . 2 1 1 A 114 114 HIS HA H 114 4.670 4.597 0.073 1
1 1330 . 2 1 1 A 114 114 HIS CA C 114 55.200 57.603 -2.403 1
1 1331 . 2 1 1 A 114 114 HIS CB C 114 29.100 30.876 -1.776 1
1 1332 . 2 1 1 A 114 114 HIS N N 114 120.400 124.784 -4.384 1
1 1333 . 2 1 1 A 115 115 HIS H H 115 8.560 8.471 0.089 1
1 1334 . 2 1 1 A 115 115 HIS HA H 115 4.660 4.756 -0.096 1
1 1337 . 2 1 1 A 115 115 HIS CA C 115 55.300 55.001 0.299 1
1 1338 . 2 1 1 A 115 115 HIS CB C 115 29.300 29.675 -0.375 1
1 1339 . 2 1 1 A 115 115 HIS N N 115 120.600 126.772 -6.172 1
1 5 . 3 1 1 A 2 2 ALA H H 2 8.190 8.905 -0.715 1
1 6 . 3 1 1 A 2 2 ALA HA H 2 4.510 4.454 0.056 1
1 10 . 3 1 1 A 2 2 ALA CA C 2 51.900 51.668 0.232 1
1 11 . 3 1 1 A 2 2 ALA CB C 2 19.500 18.160 1.340 1
1 12 . 3 1 1 A 2 2 ALA N N 2 124.100 124.228 -0.128 1
1 13 . 3 1 1 A 3 3 GLU H H 3 8.740 8.472 0.268 1
1 14 . 3 1 1 A 3 3 GLU HA H 3 4.380 4.432 -0.052 1
1 19 . 3 1 1 A 3 3 GLU CA C 3 56.000 58.258 -2.258 1
1 20 . 3 1 1 A 3 3 GLU CB C 3 29.900 31.037 -1.137 1
1 22 . 3 1 1 A 3 3 GLU N N 3 120.700 124.495 -3.795 1
1 23 . 3 1 1 A 4 4 LYS H H 4 8.580 7.778 0.802 1
1 24 . 3 1 1 A 4 4 LYS HA H 4 4.280 4.517 -0.237 1
1 33 . 3 1 1 A 4 4 LYS CA C 4 56.600 56.978 -0.378 1
1 34 . 3 1 1 A 4 4 LYS CB C 4 32.600 34.890 -2.290 1
1 38 . 3 1 1 A 4 4 LYS N N 4 122.500 112.731 9.769 1
1 39 . 3 1 1 A 5 5 ASN H H 5 8.560 8.179 0.381 1
1 40 . 3 1 1 A 5 5 ASN HA H 5 4.700 5.237 -0.537 1
1 45 . 3 1 1 A 5 5 ASN CA C 5 53.200 52.288 0.912 1
1 46 . 3 1 1 A 5 5 ASN CB C 5 38.900 40.895 -1.995 1
1 47 . 3 1 1 A 5 5 ASN N N 5 119.500 117.262 2.238 1
1 49 . 3 1 1 A 6 6 ALA H H 6 8.210 8.589 -0.379 1
1 50 . 3 1 1 A 6 6 ALA HA H 6 4.520 4.361 0.159 1
1 54 . 3 1 1 A 6 6 ALA CA C 6 51.800 51.234 0.566 1
1 55 . 3 1 1 A 6 6 ALA CB C 6 19.600 18.670 0.930 1
1 56 . 3 1 1 A 6 6 ALA N N 6 124.100 126.469 -2.369 1
1 57 . 3 1 1 A 7 7 TYR H H 7 8.740 8.426 0.314 1
1 58 . 3 1 1 A 7 7 TYR HA H 7 4.700 4.729 -0.029 1
1 65 . 3 1 1 A 7 7 TYR CA C 7 58.900 57.497 1.403 1
1 66 . 3 1 1 A 7 7 TYR CB C 7 40.300 39.980 0.320 1
1 69 . 3 1 1 A 7 7 TYR N N 7 121.400 123.080 -1.680 1
1 70 . 3 1 1 A 8 8 THR H H 8 8.170 8.898 -0.728 1
1 71 . 3 1 1 A 8 8 THR HA H 8 5.220 4.694 0.526 1
1 76 . 3 1 1 A 8 8 THR CA C 8 59.800 60.612 -0.812 1
1 77 . 3 1 1 A 8 8 THR CB C 8 71.600 71.577 0.023 1
1 79 . 3 1 1 A 8 8 THR N N 8 113.700 113.400 0.300 1
1 80 . 3 1 1 A 9 9 VAL H H 9 8.990 8.827 0.163 1
1 81 . 3 1 1 A 9 9 VAL HA H 9 3.370 3.964 -0.594 1
1 89 . 3 1 1 A 9 9 VAL CA C 9 66.700 64.700 2.000 1
1 90 . 3 1 1 A 9 9 VAL CB C 9 30.200 31.706 -1.506 1
1 93 . 3 1 1 A 9 9 VAL N N 9 121.400 122.296 -0.896 1
1 94 . 3 1 1 A 10 10 ALA H H 10 9.340 8.098 1.242 1
1 95 . 3 1 1 A 10 10 ALA HA H 10 3.720 4.011 -0.291 1
1 99 . 3 1 1 A 10 10 ALA CA C 10 55.800 55.856 -0.056 1
1 100 . 3 1 1 A 10 10 ALA CB C 10 18.200 18.318 -0.118 1
1 101 . 3 1 1 A 10 10 ALA N N 10 122.000 123.802 -1.802 1
1 102 . 3 1 1 A 11 11 GLN H H 11 7.330 8.114 -0.784 1
1 103 . 3 1 1 A 11 11 GLN HA H 11 4.050 4.075 -0.025 1
1 110 . 3 1 1 A 11 11 GLN CA C 11 58.400 58.635 -0.235 1
1 111 . 3 1 1 A 11 11 GLN CB C 11 28.700 28.190 0.510 1
1 113 . 3 1 1 A 11 11 GLN N N 11 115.300 117.744 -2.444 1
1 115 . 3 1 1 A 12 12 LEU H H 12 8.510 8.342 0.168 1
1 116 . 3 1 1 A 12 12 LEU HA H 12 4.200 4.494 -0.294 1
1 126 . 3 1 1 A 12 12 LEU CA C 12 57.600 58.107 -0.507 1
1 127 . 3 1 1 A 12 12 LEU CB C 12 41.700 41.580 0.120 1
1 131 . 3 1 1 A 12 12 LEU N N 12 121.500 122.389 -0.889 1
1 132 . 3 1 1 A 13 13 ALA H H 13 9.160 8.902 0.258 1
1 133 . 3 1 1 A 13 13 ALA HA H 13 3.990 4.036 -0.046 1
1 137 . 3 1 1 A 13 13 ALA CA C 13 55.400 55.428 -0.028 1
1 138 . 3 1 1 A 13 13 ALA CB C 13 17.700 18.028 -0.328 1
1 139 . 3 1 1 A 13 13 ALA N N 13 121.000 120.784 0.216 1
1 140 . 3 1 1 A 14 14 ASP H H 14 7.920 8.018 -0.098 1
1 141 . 3 1 1 A 14 14 ASP HA H 14 4.480 4.344 0.136 1
1 144 . 3 1 1 A 14 14 ASP CA C 14 57.200 57.733 -0.533 1
1 145 . 3 1 1 A 14 14 ASP CB C 14 39.500 41.275 -1.775 1
1 146 . 3 1 1 A 14 14 ASP N N 14 117.400 118.441 -1.041 1
1 147 . 3 1 1 A 15 15 GLU H H 15 8.210 8.105 0.105 1
1 148 . 3 1 1 A 15 15 GLU HA H 15 4.110 4.111 -0.001 1
1 153 . 3 1 1 A 15 15 GLU CA C 15 59.800 59.320 0.480 1
1 154 . 3 1 1 A 15 15 GLU CB C 15 30.100 29.413 0.687 1
1 156 . 3 1 1 A 15 15 GLU N N 15 122.500 119.437 3.063 1
1 157 . 3 1 1 A 16 16 TYR H H 16 9.230 8.347 0.883 1
1 158 . 3 1 1 A 16 16 TYR HA H 16 3.180 4.180 -1.000 1
1 165 . 3 1 1 A 16 16 TYR CA C 16 61.100 61.505 -0.405 1
1 166 . 3 1 1 A 16 16 TYR CB C 16 38.300 38.311 -0.011 1
1 169 . 3 1 1 A 16 16 TYR N N 16 119.400 120.970 -1.570 1
1 170 . 3 1 1 A 17 17 PHE H H 17 8.700 8.595 0.105 1
1 171 . 3 1 1 A 17 17 PHE HA H 17 3.480 3.987 -0.507 1
1 178 . 3 1 1 A 17 17 PHE CA C 17 61.600 61.424 0.176 1
1 179 . 3 1 1 A 17 17 PHE CB C 17 39.300 38.989 0.311 1
1 182 . 3 1 1 A 17 17 PHE N N 17 118.400 121.073 -2.673 1
1 183 . 3 1 1 A 18 18 GLU H H 18 8.280 8.296 -0.016 1
1 184 . 3 1 1 A 18 18 GLU HA H 18 3.840 3.955 -0.115 1
1 189 . 3 1 1 A 18 18 GLU CA C 18 58.800 59.873 -1.073 1
1 190 . 3 1 1 A 18 18 GLU CB C 18 29.000 29.128 -0.128 1
1 192 . 3 1 1 A 18 18 GLU N N 18 118.500 118.947 -0.447 1
1 193 . 3 1 1 A 19 19 ARG H H 19 8.350 7.217 1.133 1
1 194 . 3 1 1 A 19 19 ARG HA H 19 4.200 4.239 -0.039 1
1 202 . 3 1 1 A 19 19 ARG CA C 19 57.300 57.064 0.236 1
1 203 . 3 1 1 A 19 19 ARG CB C 19 30.900 30.826 0.074 1
1 206 . 3 1 1 A 19 19 ARG N N 19 114.300 118.167 -3.867 1
1 208 . 3 1 1 A 20 20 MET H H 20 7.960 7.649 0.311 1
1 209 . 3 1 1 A 20 20 MET HA H 20 4.610 4.294 0.316 1
1 217 . 3 1 1 A 20 20 MET CA C 20 54.100 55.675 -1.575 1
1 218 . 3 1 1 A 20 20 MET CB C 20 31.800 32.756 -0.956 1
1 221 . 3 1 1 A 20 20 MET N N 20 112.400 116.570 -4.170 1
1 222 . 3 1 1 A 21 21 ILE H H 21 6.970 7.311 -0.341 1
1 223 . 3 1 1 A 21 21 ILE HA H 21 4.050 4.093 -0.043 1
1 233 . 3 1 1 A 21 21 ILE CA C 21 59.800 60.321 -0.521 1
1 234 . 3 1 1 A 21 21 ILE CB C 21 35.900 36.888 -0.988 1
1 238 . 3 1 1 A 21 21 ILE N N 21 117.900 115.854 2.046 1
1 239 . 3 1 1 A 22 22 ALA H H 22 7.700 7.872 -0.172 1
1 240 . 3 1 1 A 22 22 ALA HA H 22 3.600 3.854 -0.254 1
1 244 . 3 1 1 A 22 22 ALA CA C 22 53.900 51.096 2.804 1
1 245 . 3 1 1 A 22 22 ALA CB C 22 18.000 19.592 -1.592 1
1 246 . 3 1 1 A 22 22 ALA N N 22 123.500 124.762 -1.262 1
1 247 . 3 1 1 A 23 23 GLY H H 23 8.460 7.952 0.508 1
1 248 . 3 1 1 A 23 23 GLY HA2 H 23 3.960 4.108 -0.148 1
1 249 . 3 1 1 A 23 23 GLY HA3 H 23 3.820 4.166 -0.346 1
1 250 . 3 1 1 A 23 23 GLY CA C 23 45.600 45.890 -0.290 1
1 251 . 3 1 1 A 23 23 GLY N N 23 109.600 106.591 3.009 1
1 252 . 3 1 1 A 24 24 ARG H H 24 7.830 7.968 -0.138 1
1 253 . 3 1 1 A 24 24 ARG HA H 24 4.440 4.671 -0.231 1
1 261 . 3 1 1 A 24 24 ARG CA C 24 56.700 55.746 0.954 1
1 262 . 3 1 1 A 24 24 ARG CB C 24 32.400 32.152 0.248 1
1 265 . 3 1 1 A 24 24 ARG N N 24 118.400 118.869 -0.469 1
1 267 . 3 1 1 A 25 25 TRP H H 25 8.240 8.545 -0.305 1
1 268 . 3 1 1 A 25 25 TRP HA H 25 4.640 4.845 -0.205 1
1 277 . 3 1 1 A 25 25 TRP CA C 25 56.900 56.939 -0.039 1
1 278 . 3 1 1 A 25 25 TRP CB C 25 31.400 31.093 0.307 1
1 284 . 3 1 1 A 25 25 TRP N N 25 121.500 124.747 -3.247 1
1 286 . 3 1 1 A 26 26 LYS H H 26 7.890 6.626 1.264 1
1 287 . 3 1 1 A 26 26 LYS HA H 26 3.910 3.336 0.574 1
1 296 . 3 1 1 A 26 26 LYS CA C 26 56.800 57.703 -0.903 1
1 297 . 3 1 1 A 26 26 LYS CB C 26 32.200 30.147 2.053 1
1 301 . 3 1 1 A 26 26 LYS N N 26 122.500 114.750 7.750 1
1 302 . 3 1 1 A 27 27 HIS H H 27 7.840 8.498 -0.658 1
1 303 . 3 1 1 A 27 27 HIS HA H 27 5.230 5.121 0.109 1
1 307 . 3 1 1 A 27 27 HIS CA C 27 53.200 53.058 0.142 1
1 308 . 3 1 1 A 27 27 HIS CB C 27 28.200 30.012 -1.812 1
1 310 . 3 1 1 A 27 27 HIS N N 27 112.700 116.198 -3.498 1
1 311 . 3 1 1 A 28 28 PRO HA H 28 4.120 4.475 -0.355 1
1 318 . 3 1 1 A 28 28 PRO CA C 28 65.400 65.191 0.209 1
1 319 . 3 1 1 A 28 28 PRO CB C 28 32.200 32.194 0.006 1
1 322 . 3 1 1 A 29 29 ASN H H 29 8.840 8.965 -0.125 1
1 323 . 3 1 1 A 29 29 ASN HA H 29 4.470 4.534 -0.064 1
1 328 . 3 1 1 A 29 29 ASN CA C 29 56.100 55.516 0.584 1
1 329 . 3 1 1 A 29 29 ASN CB C 29 37.000 37.155 -0.155 1
1 330 . 3 1 1 A 29 29 ASN N N 29 116.300 114.755 1.545 1
1 332 . 3 1 1 A 30 30 ILE H H 30 7.630 7.890 -0.260 1
1 333 . 3 1 1 A 30 30 ILE HA H 30 3.910 3.687 0.223 1
1 343 . 3 1 1 A 30 30 ILE CA C 30 63.700 65.305 -1.605 1
1 344 . 3 1 1 A 30 30 ILE CB C 30 37.300 38.190 -0.890 1
1 348 . 3 1 1 A 30 30 ILE N N 30 121.500 121.311 0.189 1
1 349 . 3 1 1 A 31 31 VAL H H 31 6.920 8.277 -1.357 1
1 350 . 3 1 1 A 31 31 VAL HA H 31 3.020 3.844 -0.824 1
1 358 . 3 1 1 A 31 31 VAL CA C 31 65.500 64.871 0.629 1
1 359 . 3 1 1 A 31 31 VAL CB C 31 30.900 31.325 -0.425 1
1 362 . 3 1 1 A 31 31 VAL N N 31 119.900 121.663 -1.763 1
1 363 . 3 1 1 A 32 32 ARG H H 32 8.080 8.519 -0.439 1
1 364 . 3 1 1 A 32 32 ARG HA H 32 3.380 3.946 -0.566 1
1 371 . 3 1 1 A 32 32 ARG CA C 32 58.900 59.934 -1.034 1
1 372 . 3 1 1 A 32 32 ARG CB C 32 28.800 29.660 -0.860 1
1 375 . 3 1 1 A 32 32 ARG N N 32 118.900 121.801 -2.901 1
1 376 . 3 1 1 A 33 33 SER H H 33 7.840 8.368 -0.528 1
1 377 . 3 1 1 A 33 33 SER HA H 33 4.130 4.103 0.027 1
1 380 . 3 1 1 A 33 33 SER CA C 33 61.900 62.291 -0.391 1
1 381 . 3 1 1 A 33 33 SER CB C 33 62.700 62.880 -0.180 1
1 382 . 3 1 1 A 33 33 SER N N 33 113.400 117.144 -3.744 1
1 383 . 3 1 1 A 34 34 ARG H H 34 7.610 7.414 0.196 1
1 384 . 3 1 1 A 34 34 ARG HA H 34 4.370 4.606 -0.236 1
1 392 . 3 1 1 A 34 34 ARG CA C 34 58.100 58.803 -0.703 1
1 393 . 3 1 1 A 34 34 ARG CB C 34 29.600 29.915 -0.315 1
1 396 . 3 1 1 A 34 34 ARG N N 34 119.900 121.275 -1.375 1
1 398 . 3 1 1 A 35 35 ILE H H 35 8.070 7.906 0.164 1
1 399 . 3 1 1 A 35 35 ILE HA H 35 3.470 3.707 -0.237 1
1 409 . 3 1 1 A 35 35 ILE CA C 35 65.800 65.254 0.546 1
1 410 . 3 1 1 A 35 35 ILE CB C 35 38.200 37.688 0.512 1
1 414 . 3 1 1 A 35 35 ILE N N 35 118.600 121.486 -2.886 1
1 415 . 3 1 1 A 36 36 GLU H H 36 8.710 8.415 0.295 1
1 416 . 3 1 1 A 36 36 GLU HA H 36 3.880 4.040 -0.160 1
1 421 . 3 1 1 A 36 36 GLU CA C 36 58.400 59.163 -0.763 1
1 422 . 3 1 1 A 36 36 GLU CB C 36 30.000 29.450 0.550 1
1 424 . 3 1 1 A 36 36 GLU N N 36 116.800 118.807 -2.007 1
1 425 . 3 1 1 A 37 37 LYS H H 37 8.550 7.793 0.757 1
1 426 . 3 1 1 A 37 37 LYS HA H 37 4.300 4.374 -0.074 1
1 435 . 3 1 1 A 37 37 LYS CA C 37 57.300 57.933 -0.633 1
1 436 . 3 1 1 A 37 37 LYS CB C 37 33.000 33.940 -0.940 1
1 440 . 3 1 1 A 37 37 LYS N N 37 114.300 119.863 -5.563 1
1 441 . 3 1 1 A 38 38 ASP H H 38 7.480 8.050 -0.570 1
1 442 . 3 1 1 A 38 38 ASP HA H 38 4.970 4.530 0.440 1
1 445 . 3 1 1 A 38 38 ASP CA C 38 55.300 56.969 -1.669 1
1 446 . 3 1 1 A 38 38 ASP CB C 38 42.700 41.000 1.700 1
1 447 . 3 1 1 A 38 38 ASP N N 38 113.900 119.379 -5.479 1
1 448 . 3 1 1 A 39 39 ILE H H 39 7.540 8.177 -0.637 1
1 449 . 3 1 1 A 39 39 ILE HA H 39 3.940 4.052 -0.112 1
1 459 . 3 1 1 A 39 39 ILE CA C 39 64.700 63.944 0.756 1
1 460 . 3 1 1 A 39 39 ILE CB C 39 39.000 38.976 0.024 1
1 464 . 3 1 1 A 39 39 ILE N N 39 116.800 118.218 -1.418 1
1 465 . 3 1 1 A 40 40 LYS H H 40 8.840 7.501 1.339 1
1 466 . 3 1 1 A 40 40 LYS HA H 40 3.650 4.754 -1.104 1
1 475 . 3 1 1 A 40 40 LYS CA C 40 50.600 53.891 -3.291 1
1 476 . 3 1 1 A 40 40 LYS CB C 40 30.400 33.075 -2.675 1
1 480 . 3 1 1 A 40 40 LYS N N 40 118.400 121.050 -2.650 1
1 481 . 3 1 1 A 41 41 PRO HA H 41 4.280 4.457 -0.177 1
1 488 . 3 1 1 A 41 41 PRO CA C 41 65.700 64.977 0.723 1
1 489 . 3 1 1 A 41 41 PRO CB C 41 30.700 32.051 -1.351 1
1 492 . 3 1 1 A 42 42 ALA H H 42 6.660 7.655 -0.995 1
1 493 . 3 1 1 A 42 42 ALA HA H 42 4.430 4.525 -0.095 1
1 497 . 3 1 1 A 42 42 ALA CA C 42 53.800 51.546 2.254 1
1 498 . 3 1 1 A 42 42 ALA CB C 42 20.800 19.660 1.140 1
1 499 . 3 1 1 A 42 42 ALA N N 42 115.300 117.820 -2.520 1
1 500 . 3 1 1 A 43 43 ILE H H 43 7.540 7.926 -0.386 1
1 501 . 3 1 1 A 43 43 ILE HA H 43 4.810 4.530 0.280 1
1 511 . 3 1 1 A 43 43 ILE CA C 43 60.600 60.184 0.416 1
1 512 . 3 1 1 A 43 43 ILE CB C 43 41.200 38.298 2.902 1
1 516 . 3 1 1 A 43 43 ILE N N 43 105.000 115.381 -10.381 1
1 517 . 3 1 1 A 44 44 GLY H H 44 8.500 8.333 0.167 1
1 518 . 3 1 1 A 44 44 GLY HA2 H 44 4.170 3.837 0.333 1
1 519 . 3 1 1 A 44 44 GLY HA3 H 44 3.430 3.851 -0.421 1
1 520 . 3 1 1 A 44 44 GLY CA C 44 47.300 47.556 -0.256 1
1 521 . 3 1 1 A 44 44 GLY N N 44 109.600 112.980 -3.380 1
1 522 . 3 1 1 A 45 45 SER H H 45 8.120 7.997 0.123 1
1 523 . 3 1 1 A 45 45 SER HA H 45 4.440 4.673 -0.233 1
1 526 . 3 1 1 A 45 45 SER CA C 45 58.600 57.678 0.922 1
1 527 . 3 1 1 A 45 45 SER CB C 45 63.400 63.638 -0.238 1
1 528 . 3 1 1 A 45 45 SER N N 45 110.400 117.311 -6.911 1
1 529 . 3 1 1 A 46 46 LEU H H 46 7.480 7.610 -0.130 1
1 530 . 3 1 1 A 46 46 LEU HA H 46 4.180 4.573 -0.393 1
1 540 . 3 1 1 A 46 46 LEU CA C 46 54.800 53.519 1.281 1
1 541 . 3 1 1 A 46 46 LEU CB C 46 41.700 42.296 -0.596 1
1 545 . 3 1 1 A 46 46 LEU N N 46 122.600 123.208 -0.608 1
1 546 . 3 1 1 A 47 47 LYS H H 47 8.790 8.018 0.772 1
1 547 . 3 1 1 A 47 47 LYS HA H 47 4.460 4.305 0.155 1
1 556 . 3 1 1 A 47 47 LYS CA C 47 56.700 56.775 -0.075 1
1 557 . 3 1 1 A 47 47 LYS CB C 47 31.100 32.236 -1.136 1
1 561 . 3 1 1 A 47 47 LYS N N 47 120.800 123.041 -2.241 1
1 562 . 3 1 1 A 48 48 VAL H H 48 8.600 8.590 0.010 1
1 563 . 3 1 1 A 48 48 VAL HA H 48 3.470 3.949 -0.479 1
1 571 . 3 1 1 A 48 48 VAL CA C 48 66.900 66.091 0.809 1
1 572 . 3 1 1 A 48 48 VAL CB C 48 31.000 31.267 -0.267 1
1 575 . 3 1 1 A 48 48 VAL N N 48 123.000 122.448 0.552 1
1 576 . 3 1 1 A 49 49 GLU H H 49 9.360 8.340 1.020 1
1 577 . 3 1 1 A 49 49 GLU HA H 49 4.180 4.150 0.030 1
1 582 . 3 1 1 A 49 49 GLU CA C 49 57.600 58.346 -0.746 1
1 583 . 3 1 1 A 49 49 GLU CB C 49 28.500 29.655 -1.155 1
1 585 . 3 1 1 A 49 49 GLU N N 49 115.300 120.107 -4.807 1
1 586 . 3 1 1 A 50 50 ASP H H 50 7.840 7.788 0.052 1
1 587 . 3 1 1 A 50 50 ASP HA H 50 4.840 4.601 0.239 1
1 590 . 3 1 1 A 50 50 ASP CA C 50 53.800 55.115 -1.315 1
1 591 . 3 1 1 A 50 50 ASP CB C 50 41.400 41.796 -0.396 1
1 592 . 3 1 1 A 50 50 ASP N N 50 118.900 118.542 0.358 1
1 593 . 3 1 1 A 51 51 VAL H H 51 7.150 7.543 -0.393 1
1 594 . 3 1 1 A 51 51 VAL HA H 51 3.950 4.382 -0.432 1
1 602 . 3 1 1 A 51 51 VAL CA C 51 63.700 61.726 1.974 1
1 603 . 3 1 1 A 51 51 VAL CB C 51 30.900 30.998 -0.098 1
1 606 . 3 1 1 A 51 51 VAL N N 51 119.900 111.243 8.657 1
1 607 . 3 1 1 A 52 52 LYS H H 52 11.840 7.528 4.312 1
1 608 . 3 1 1 A 52 52 LYS HA H 52 4.980 4.172 0.808 1
1 617 . 3 1 1 A 52 52 LYS CA C 52 52.800 54.326 -1.526 1
1 618 . 3 1 1 A 52 52 LYS CB C 52 33.100 31.595 1.505 1
1 622 . 3 1 1 A 52 52 LYS N N 52 133.900 127.218 6.682 1
1 623 . 3 1 1 A 53 53 PRO HA H 53 4.370 4.377 -0.007 1
1 630 . 3 1 1 A 53 53 PRO CA C 53 66.600 65.910 0.690 1
1 631 . 3 1 1 A 53 53 PRO CB C 53 31.600 31.887 -0.287 1
1 634 . 3 1 1 A 54 54 ARG H H 54 8.180 8.974 -0.794 1
1 635 . 3 1 1 A 54 54 ARG HA H 54 4.200 4.286 -0.086 1
1 643 . 3 1 1 A 54 54 ARG CA C 54 58.300 58.696 -0.396 1
1 644 . 3 1 1 A 54 54 ARG CB C 54 28.700 29.407 -0.707 1
1 647 . 3 1 1 A 54 54 ARG N N 54 113.800 116.382 -2.582 1
1 649 . 3 1 1 A 55 55 HIS H H 55 7.650 8.187 -0.537 1
1 650 . 3 1 1 A 55 55 HIS HA H 55 4.430 4.517 -0.087 1
1 655 . 3 1 1 A 55 55 HIS CA C 55 60.500 59.603 0.897 1
1 656 . 3 1 1 A 55 55 HIS CB C 55 31.400 29.896 1.504 1
1 659 . 3 1 1 A 55 55 HIS N N 55 118.400 117.741 0.659 1
1 660 . 3 1 1 A 56 56 ILE H H 56 7.280 7.760 -0.480 1
1 661 . 3 1 1 A 56 56 ILE HA H 56 3.480 3.429 0.051 1
1 671 . 3 1 1 A 56 56 ILE CA C 56 61.900 64.780 -2.880 1
1 672 . 3 1 1 A 56 56 ILE CB C 56 33.900 37.246 -3.346 1
1 676 . 3 1 1 A 56 56 ILE N N 56 117.400 119.851 -2.451 1
1 677 . 3 1 1 A 57 57 ASP H H 57 8.010 7.877 0.133 1
1 678 . 3 1 1 A 57 57 ASP HA H 57 4.220 4.197 0.023 1
1 681 . 3 1 1 A 57 57 ASP CA C 57 57.200 57.954 -0.754 1
1 682 . 3 1 1 A 57 57 ASP CB C 57 40.900 41.803 -0.903 1
1 683 . 3 1 1 A 57 57 ASP N N 57 119.400 121.249 -1.849 1
1 684 . 3 1 1 A 58 58 ASP H H 58 8.000 8.507 -0.507 1
1 685 . 3 1 1 A 58 58 ASP HA H 58 4.380 4.296 0.084 1
1 688 . 3 1 1 A 58 58 ASP CA C 58 57.600 57.443 0.157 1
1 689 . 3 1 1 A 58 58 ASP CB C 58 39.200 40.702 -1.502 1
1 690 . 3 1 1 A 58 58 ASP N N 58 117.400 119.787 -2.387 1
1 691 . 3 1 1 A 59 59 VAL H H 59 7.800 7.557 0.243 1
1 692 . 3 1 1 A 59 59 VAL HA H 59 3.620 3.907 -0.287 1
1 700 . 3 1 1 A 59 59 VAL CA C 59 66.200 65.021 1.179 1
1 701 . 3 1 1 A 59 59 VAL CB C 59 31.400 31.942 -0.542 1
1 704 . 3 1 1 A 59 59 VAL N N 59 121.200 118.442 2.758 1
1 705 . 3 1 1 A 60 60 LEU H H 60 8.030 8.204 -0.174 1
1 706 . 3 1 1 A 60 60 LEU HA H 60 3.870 3.928 -0.058 1
1 716 . 3 1 1 A 60 60 LEU CA C 60 58.000 57.780 0.220 1
1 717 . 3 1 1 A 60 60 LEU CB C 60 40.300 40.989 -0.689 1
1 721 . 3 1 1 A 60 60 LEU N N 60 118.900 121.177 -2.277 1
1 722 . 3 1 1 A 61 61 LYS H H 61 8.710 8.353 0.357 1
1 723 . 3 1 1 A 61 61 LYS HA H 61 3.920 3.990 -0.070 1
1 732 . 3 1 1 A 61 61 LYS CA C 61 59.600 59.571 0.029 1
1 733 . 3 1 1 A 61 61 LYS CB C 61 32.500 32.321 0.179 1
1 737 . 3 1 1 A 61 61 LYS N N 61 118.300 120.990 -2.690 1
1 738 . 3 1 1 A 62 62 ALA H H 62 7.590 7.692 -0.102 1
1 739 . 3 1 1 A 62 62 ALA HA H 62 4.170 4.008 0.162 1
1 743 . 3 1 1 A 62 62 ALA CA C 62 55.100 55.152 -0.052 1
1 744 . 3 1 1 A 62 62 ALA CB C 62 17.900 18.262 -0.362 1
1 745 . 3 1 1 A 62 62 ALA N N 62 121.000 120.590 0.410 1
1 746 . 3 1 1 A 63 63 VAL H H 63 8.090 8.000 0.090 1
1 747 . 3 1 1 A 63 63 VAL HA H 63 3.710 3.883 -0.173 1
1 755 . 3 1 1 A 63 63 VAL CA C 63 65.700 65.354 0.346 1
1 756 . 3 1 1 A 63 63 VAL CB C 63 31.700 31.270 0.430 1
1 759 . 3 1 1 A 63 63 VAL N N 63 118.000 116.626 1.374 1
1 760 . 3 1 1 A 64 64 MET H H 64 8.360 8.072 0.288 1
1 761 . 3 1 1 A 64 64 MET HA H 64 4.110 4.263 -0.153 1
1 769 . 3 1 1 A 64 64 MET CA C 64 57.600 57.343 0.257 1
1 770 . 3 1 1 A 64 64 MET CB C 64 31.700 32.307 -0.607 1
1 773 . 3 1 1 A 64 64 MET N N 64 119.400 118.930 0.470 1
1 774 . 3 1 1 A 65 65 LYS H H 65 7.660 7.426 0.234 1
1 775 . 3 1 1 A 65 65 LYS HA H 65 4.170 4.324 -0.154 1
1 784 . 3 1 1 A 65 65 LYS CA C 65 58.100 58.481 -0.381 1
1 785 . 3 1 1 A 65 65 LYS CB C 65 32.500 32.687 -0.187 1
1 789 . 3 1 1 A 65 65 LYS N N 65 118.900 119.951 -1.051 1
1 790 . 3 1 1 A 66 66 ARG H H 66 7.600 8.063 -0.463 1
1 791 . 3 1 1 A 66 66 ARG HA H 66 4.430 4.092 0.338 1
1 799 . 3 1 1 A 66 66 ARG CA C 66 56.600 58.387 -1.787 1
1 800 . 3 1 1 A 66 66 ARG CB C 66 30.400 29.871 0.529 1
1 803 . 3 1 1 A 66 66 ARG N N 66 115.800 118.242 -2.442 1
1 805 . 3 1 1 A 67 67 GLY H H 67 7.830 7.560 0.270 1
1 806 . 3 1 1 A 67 67 GLY HA2 H 67 4.010 4.041 -0.031 1
1 807 . 3 1 1 A 67 67 GLY HA3 H 67 3.980 4.044 -0.064 1
1 808 . 3 1 1 A 67 67 GLY CA C 67 45.700 45.183 0.517 1
1 809 . 3 1 1 A 67 67 GLY N N 67 107.400 108.661 -1.261 1
1 810 . 3 1 1 A 68 68 ALA H H 68 7.730 8.082 -0.352 1
1 811 . 3 1 1 A 68 68 ALA HA H 68 4.980 4.637 0.343 1
1 815 . 3 1 1 A 68 68 ALA CA C 68 49.700 50.215 -0.515 1
1 816 . 3 1 1 A 68 68 ALA CB C 68 18.900 21.923 -3.023 1
1 817 . 3 1 1 A 68 68 ALA N N 68 122.500 122.438 0.062 1
1 818 . 3 1 1 A 69 69 PRO HA H 69 4.350 4.250 0.100 1
1 825 . 3 1 1 A 69 69 PRO CA C 69 65.400 65.062 0.338 1
1 826 . 3 1 1 A 69 69 PRO CB C 69 31.700 32.023 -0.323 1
1 829 . 3 1 1 A 70 70 SER H H 70 8.430 8.305 0.125 1
1 830 . 3 1 1 A 70 70 SER HA H 70 4.250 4.204 0.046 1
1 833 . 3 1 1 A 70 70 SER CA C 70 61.000 61.464 -0.464 1
1 834 . 3 1 1 A 70 70 SER CB C 70 61.500 62.390 -0.890 1
1 835 . 3 1 1 A 70 70 SER N N 70 112.200 112.455 -0.255 1
1 836 . 3 1 1 A 71 71 ILE H H 71 7.430 7.860 -0.430 1
1 837 . 3 1 1 A 71 71 ILE HA H 71 3.980 3.703 0.277 1
1 847 . 3 1 1 A 71 71 ILE CA C 71 63.100 65.452 -2.352 1
1 848 . 3 1 1 A 71 71 ILE CB C 71 36.700 38.029 -1.329 1
1 852 . 3 1 1 A 71 71 ILE N N 71 122.000 122.874 -0.874 1
1 853 . 3 1 1 A 72 72 ALA H H 72 7.780 8.156 -0.376 1
1 854 . 3 1 1 A 72 72 ALA HA H 72 3.910 4.123 -0.213 1
1 858 . 3 1 1 A 72 72 ALA CA C 72 55.800 55.791 0.009 1
1 859 . 3 1 1 A 72 72 ALA CB C 72 17.900 18.280 -0.380 1
1 860 . 3 1 1 A 72 72 ALA N N 72 126.100 122.492 3.608 1
1 861 . 3 1 1 A 73 73 ASN H H 73 8.180 8.011 0.169 1
1 862 . 3 1 1 A 73 73 ASN HA H 73 4.410 4.598 -0.188 1
1 867 . 3 1 1 A 73 73 ASN CA C 73 55.900 55.932 -0.032 1
1 868 . 3 1 1 A 73 73 ASN CB C 73 37.800 38.327 -0.527 1
1 869 . 3 1 1 A 73 73 ASN N N 73 116.700 116.823 -0.123 1
1 871 . 3 1 1 A 74 74 ASP H H 74 8.120 8.278 -0.158 1
1 872 . 3 1 1 A 74 74 ASP HA H 74 4.410 4.375 0.035 1
1 875 . 3 1 1 A 74 74 ASP CA C 74 57.500 57.470 0.030 1
1 876 . 3 1 1 A 74 74 ASP CB C 74 41.400 41.491 -0.091 1
1 877 . 3 1 1 A 74 74 ASP N N 74 120.800 119.754 1.046 1
1 878 . 3 1 1 A 75 75 THR H H 75 8.360 8.228 0.132 1
1 879 . 3 1 1 A 75 75 THR HA H 75 3.750 4.392 -0.642 1
1 884 . 3 1 1 A 75 75 THR CA C 75 68.800 66.949 1.851 1
1 885 . 3 1 1 A 75 75 THR CB C 75 67.700 68.150 -0.450 1
1 887 . 3 1 1 A 75 75 THR N N 75 116.300 116.391 -0.091 1
1 888 . 3 1 1 A 76 76 LEU H H 76 8.160 8.052 0.108 1
1 889 . 3 1 1 A 76 76 LEU HA H 76 3.980 4.050 -0.070 1
1 899 . 3 1 1 A 76 76 LEU CA C 76 58.000 58.218 -0.218 1
1 900 . 3 1 1 A 76 76 LEU CB C 76 40.500 41.676 -1.176 1
1 904 . 3 1 1 A 76 76 LEU N N 76 121.000 121.820 -0.820 1
1 905 . 3 1 1 A 77 77 ARG H H 77 7.810 8.259 -0.449 1
1 906 . 3 1 1 A 77 77 ARG HA H 77 3.790 3.888 -0.098 1
1 914 . 3 1 1 A 77 77 ARG CA C 77 60.000 59.666 0.334 1
1 915 . 3 1 1 A 77 77 ARG CB C 77 29.400 29.668 -0.268 1
1 918 . 3 1 1 A 77 77 ARG N N 77 118.400 119.036 -0.636 1
1 920 . 3 1 1 A 78 78 TRP H H 78 7.870 7.767 0.103 1
1 921 . 3 1 1 A 78 78 TRP HA H 78 4.490 4.604 -0.114 1
1 930 . 3 1 1 A 78 78 TRP CA C 78 60.200 59.982 0.218 1
1 931 . 3 1 1 A 78 78 TRP CB C 78 28.700 29.876 -1.176 1
1 937 . 3 1 1 A 78 78 TRP N N 78 118.300 121.305 -3.005 1
1 939 . 3 1 1 A 79 79 LEU H H 79 8.630 8.389 0.241 1
1 940 . 3 1 1 A 79 79 LEU HA H 79 3.940 3.777 0.163 1
1 950 . 3 1 1 A 79 79 LEU CA C 79 58.200 58.059 0.141 1
1 951 . 3 1 1 A 79 79 LEU CB C 79 42.300 41.652 0.648 1
1 955 . 3 1 1 A 79 79 LEU N N 79 120.200 120.481 -0.281 1
1 956 . 3 1 1 A 80 80 LYS H H 80 8.710 8.537 0.173 1
1 957 . 3 1 1 A 80 80 LYS HA H 80 3.880 4.006 -0.126 1
1 966 . 3 1 1 A 80 80 LYS CA C 80 61.300 59.942 1.358 1
1 967 . 3 1 1 A 80 80 LYS CB C 80 32.300 32.648 -0.348 1
1 971 . 3 1 1 A 80 80 LYS N N 80 118.400 120.055 -1.655 1
1 972 . 3 1 1 A 81 81 ARG H H 81 7.800 7.686 0.114 1
1 973 . 3 1 1 A 81 81 ARG HA H 81 4.030 4.190 -0.160 1
1 981 . 3 1 1 A 81 81 ARG CA C 81 59.700 59.674 0.026 1
1 982 . 3 1 1 A 81 81 ARG CB C 81 30.400 30.230 0.170 1
1 985 . 3 1 1 A 81 81 ARG N N 81 117.400 118.349 -0.949 1
1 987 . 3 1 1 A 82 82 MET H H 82 8.530 8.021 0.509 1
1 988 . 3 1 1 A 82 82 MET HA H 82 3.000 3.567 -0.567 1
1 996 . 3 1 1 A 82 82 MET CA C 82 58.900 58.407 0.493 1
1 997 . 3 1 1 A 82 82 MET CB C 82 32.300 31.349 0.951 1
1 1000 . 3 1 1 A 82 82 MET N N 82 121.400 118.783 2.617 1
1 1001 . 3 1 1 A 83 83 PHE H H 83 8.340 8.205 0.135 1
1 1002 . 3 1 1 A 83 83 PHE HA H 83 4.340 4.277 0.063 1
1 1010 . 3 1 1 A 83 83 PHE CA C 83 61.900 61.303 0.597 1
1 1011 . 3 1 1 A 83 83 PHE CB C 83 38.800 37.825 0.975 1
1 1015 . 3 1 1 A 83 83 PHE N N 83 116.900 117.787 -0.887 1
1 1016 . 3 1 1 A 84 84 ASN H H 84 8.170 8.134 0.036 1
1 1017 . 3 1 1 A 84 84 ASN HA H 84 4.670 4.559 0.111 1
1 1022 . 3 1 1 A 84 84 ASN CA C 84 55.800 56.487 -0.687 1
1 1023 . 3 1 1 A 84 84 ASN CB C 84 37.500 38.591 -1.091 1
1 1024 . 3 1 1 A 84 84 ASN N N 84 120.500 119.117 1.383 1
1 1026 . 3 1 1 A 85 85 TYR H H 85 7.910 8.256 -0.346 1
1 1027 . 3 1 1 A 85 85 TYR HA H 85 4.320 4.199 0.121 1
1 1034 . 3 1 1 A 85 85 TYR CA C 85 61.100 61.877 -0.777 1
1 1035 . 3 1 1 A 85 85 TYR CB C 85 37.900 38.722 -0.822 1
1 1038 . 3 1 1 A 85 85 TYR N N 85 124.000 120.728 3.272 1
1 1039 . 3 1 1 A 86 86 ALA H H 86 7.780 8.236 -0.456 1
1 1040 . 3 1 1 A 86 86 ALA HA H 86 3.670 3.864 -0.194 1
1 1044 . 3 1 1 A 86 86 ALA CA C 86 54.800 54.991 -0.191 1
1 1045 . 3 1 1 A 86 86 ALA CB C 86 18.100 18.277 -0.177 1
1 1046 . 3 1 1 A 86 86 ALA N N 86 120.500 121.506 -1.006 1
1 1047 . 3 1 1 A 87 87 ILE H H 87 7.880 7.553 0.327 1
1 1048 . 3 1 1 A 87 87 ILE HA H 87 4.240 3.914 0.326 1
1 1058 . 3 1 1 A 87 87 ILE CA C 87 63.900 65.352 -1.452 1
1 1059 . 3 1 1 A 87 87 ILE CB C 87 37.900 37.881 0.019 1
1 1063 . 3 1 1 A 87 87 ILE N N 87 120.400 118.840 1.560 1
1 1064 . 3 1 1 A 88 88 LYS H H 88 7.880 8.460 -0.580 1
1 1065 . 3 1 1 A 88 88 LYS HA H 88 3.900 3.956 -0.056 1
1 1074 . 3 1 1 A 88 88 LYS CA C 88 58.900 58.389 0.511 1
1 1075 . 3 1 1 A 88 88 LYS CB C 88 31.300 31.510 -0.210 1
1 1079 . 3 1 1 A 88 88 LYS N N 88 124.300 120.592 3.708 1
1 1080 . 3 1 1 A 89 89 ARG H H 89 7.350 7.018 0.332 1
1 1081 . 3 1 1 A 89 89 ARG HA H 89 4.020 4.179 -0.159 1
1 1088 . 3 1 1 A 89 89 ARG CA C 89 54.600 55.511 -0.911 1
1 1089 . 3 1 1 A 89 89 ARG CB C 89 29.100 30.253 -1.153 1
1 1092 . 3 1 1 A 89 89 ARG N N 89 114.300 117.908 -3.608 1
1 1093 . 3 1 1 A 90 90 HIS H H 90 8.030 8.063 -0.033 1
1 1094 . 3 1 1 A 90 90 HIS HA H 90 4.330 4.321 0.009 1
1 1098 . 3 1 1 A 90 90 HIS CA C 90 56.300 57.074 -0.774 1
1 1099 . 3 1 1 A 90 90 HIS CB C 90 25.200 26.199 -0.999 1
1 1101 . 3 1 1 A 90 90 HIS N N 90 113.200 113.815 -0.615 1
1 1102 . 3 1 1 A 91 91 ILE H H 91 8.370 8.069 0.301 1
1 1103 . 3 1 1 A 91 91 ILE HA H 91 3.830 3.760 0.070 1
1 1113 . 3 1 1 A 91 91 ILE CA C 91 63.600 64.123 -0.523 1
1 1114 . 3 1 1 A 91 91 ILE CB C 91 39.300 38.080 1.220 1
1 1118 . 3 1 1 A 91 91 ILE N N 91 118.400 118.460 -0.060 1
1 1119 . 3 1 1 A 92 92 ILE H H 92 6.860 7.319 -0.459 1
1 1120 . 3 1 1 A 92 92 ILE HA H 92 4.570 4.626 -0.056 1
1 1130 . 3 1 1 A 92 92 ILE CA C 92 58.800 58.152 0.648 1
1 1131 . 3 1 1 A 92 92 ILE CB C 92 42.700 41.474 1.226 1
1 1135 . 3 1 1 A 92 92 ILE N N 92 108.600 117.332 -8.732 1
1 1136 . 3 1 1 A 93 93 GLU H H 93 8.690 8.793 -0.103 1
1 1137 . 3 1 1 A 93 93 GLU HA H 93 4.470 4.406 0.064 1
1 1142 . 3 1 1 A 93 93 GLU CA C 93 56.400 57.601 -1.201 1
1 1143 . 3 1 1 A 93 93 GLU CB C 93 31.200 31.060 0.140 1
1 1145 . 3 1 1 A 93 93 GLU N N 93 116.800 120.542 -3.742 1
1 1146 . 3 1 1 A 94 94 TYR H H 94 7.420 7.671 -0.251 1
1 1147 . 3 1 1 A 94 94 TYR HA H 94 4.710 5.247 -0.537 1
1 1154 . 3 1 1 A 94 94 TYR CA C 94 55.800 56.712 -0.912 1
1 1155 . 3 1 1 A 94 94 TYR CB C 94 40.600 41.860 -1.260 1
1 1158 . 3 1 1 A 94 94 TYR N N 94 117.900 115.830 2.070 1
1 1159 . 3 1 1 A 95 95 ASN H H 95 8.960 8.765 0.195 1
1 1160 . 3 1 1 A 95 95 ASN HA H 95 4.550 5.045 -0.495 1
1 1165 . 3 1 1 A 95 95 ASN CA C 95 49.700 51.121 -1.421 1
1 1166 . 3 1 1 A 95 95 ASN CB C 95 39.200 39.086 0.114 1
1 1167 . 3 1 1 A 95 95 ASN N N 95 122.500 121.356 1.144 1
1 1169 . 3 1 1 A 96 96 PRO HA H 96 4.300 4.249 0.051 1
1 1176 . 3 1 1 A 96 96 PRO CA C 96 64.000 64.544 -0.544 1
1 1177 . 3 1 1 A 96 96 PRO CB C 96 31.100 31.548 -0.448 1
1 1180 . 3 1 1 A 97 97 ALA H H 97 8.090 8.049 0.041 1
1 1181 . 3 1 1 A 97 97 ALA HA H 97 4.540 4.610 -0.070 1
1 1185 . 3 1 1 A 97 97 ALA CA C 97 51.200 52.810 -1.610 1
1 1186 . 3 1 1 A 97 97 ALA CB C 97 18.900 18.931 -0.031 1
1 1187 . 3 1 1 A 97 97 ALA N N 97 118.400 119.778 -1.378 1
1 1188 . 3 1 1 A 98 98 ALA H H 98 7.330 7.667 -0.337 1
1 1189 . 3 1 1 A 98 98 ALA HA H 98 3.990 4.169 -0.179 1
1 1193 . 3 1 1 A 98 98 ALA CA C 98 54.700 54.853 -0.153 1
1 1194 . 3 1 1 A 98 98 ALA CB C 98 18.900 18.663 0.237 1
1 1195 . 3 1 1 A 98 98 ALA N N 98 120.500 120.938 -0.438 1
1 1196 . 3 1 1 A 99 99 ALA H H 99 8.020 7.822 0.198 1
1 1197 . 3 1 1 A 99 99 ALA HA H 99 4.180 4.035 0.145 1
1 1201 . 3 1 1 A 99 99 ALA CA C 99 52.500 54.176 -1.676 1
1 1202 . 3 1 1 A 99 99 ALA CB C 99 18.200 18.486 -0.286 1
1 1203 . 3 1 1 A 99 99 ALA N N 99 117.400 119.084 -1.684 1
1 1204 . 3 1 1 A 100 100 PHE H H 100 7.320 7.835 -0.515 1
1 1205 . 3 1 1 A 100 100 PHE HA H 100 4.360 4.824 -0.464 1
1 1210 . 3 1 1 A 100 100 PHE CA C 100 57.700 57.522 0.178 1
1 1211 . 3 1 1 A 100 100 PHE CB C 100 40.500 39.682 0.818 1
1 1213 . 3 1 1 A 100 100 PHE N N 100 117.400 116.005 1.395 1
1 1214 . 3 1 1 A 101 101 ASP H H 101 8.520 8.925 -0.405 1
1 1215 . 3 1 1 A 101 101 ASP HA H 101 4.910 5.124 -0.214 1
1 1218 . 3 1 1 A 101 101 ASP CA C 101 51.400 50.656 0.744 1
1 1219 . 3 1 1 A 101 101 ASP CB C 101 41.400 43.885 -2.485 1
1 1220 . 3 1 1 A 101 101 ASP N N 101 122.600 123.434 -0.834 1
1 1221 . 3 1 1 A 102 102 PRO HA H 102 4.350 4.490 -0.140 1
1 1228 . 3 1 1 A 102 102 PRO CA C 102 63.400 63.633 -0.233 1
1 1229 . 3 1 1 A 102 102 PRO CB C 102 31.900 32.103 -0.203 1
1 1232 . 3 1 1 A 103 103 GLY H H 103 8.440 8.703 -0.263 1
1 1233 . 3 1 1 A 103 103 GLY HA2 H 103 3.890 4.006 -0.116 1
1 1234 . 3 1 1 A 103 103 GLY HA3 H 103 3.860 4.007 -0.147 1
1 1235 . 3 1 1 A 103 103 GLY CA C 103 45.100 45.880 -0.780 1
1 1236 . 3 1 1 A 103 103 GLY N N 103 108.300 110.620 -2.320 1
1 1237 . 3 1 1 A 104 104 ASP H H 104 8.100 8.155 -0.055 1
1 1238 . 3 1 1 A 104 104 ASP HA H 104 4.620 5.149 -0.529 1
1 1241 . 3 1 1 A 104 104 ASP CA C 104 53.900 53.667 0.233 1
1 1242 . 3 1 1 A 104 104 ASP CB C 104 40.700 44.016 -3.316 1
1 1243 . 3 1 1 A 104 104 ASP N N 104 120.100 122.684 -2.584 1
1 1244 . 3 1 1 A 105 105 ALA H H 105 8.360 8.672 -0.312 1
1 1245 . 3 1 1 A 105 105 ALA HA H 105 4.270 5.038 -0.768 1
1 1249 . 3 1 1 A 105 105 ALA CA C 105 52.900 50.272 2.628 1
1 1250 . 3 1 1 A 105 105 ALA CB C 105 18.800 23.391 -4.591 1
1 1251 . 3 1 1 A 105 105 ALA N N 105 124.600 127.028 -2.428 1
1 1252 . 3 1 1 A 106 106 GLY H H 106 8.470 8.420 0.050 1
1 1253 . 3 1 1 A 106 106 GLY HA2 H 106 3.930 4.067 -0.137 1
1 1254 . 3 1 1 A 106 106 GLY HA3 H 106 3.910 4.070 -0.160 1
1 1255 . 3 1 1 A 106 106 GLY CA C 106 45.400 45.434 -0.034 1
1 1256 . 3 1 1 A 106 106 GLY N N 106 107.500 106.323 1.177 1
1 1257 . 3 1 1 A 107 107 GLY H H 107 8.170 8.656 -0.486 1
1 1258 . 3 1 1 A 107 107 GLY HA2 H 107 3.950 4.049 -0.099 1
1 1259 . 3 1 1 A 107 107 GLY HA3 H 107 3.940 4.051 -0.111 1
1 1260 . 3 1 1 A 107 107 GLY CA C 107 45.300 45.183 0.117 1
1 1261 . 3 1 1 A 107 107 GLY N N 107 108.600 111.478 -2.878 1
1 1262 . 3 1 1 A 108 108 LYS H H 108 8.160 7.587 0.573 1
1 1263 . 3 1 1 A 108 108 LYS HA H 108 4.260 4.591 -0.331 1
1 1272 . 3 1 1 A 108 108 LYS CA C 108 56.500 55.612 0.888 1
1 1273 . 3 1 1 A 108 108 LYS CB C 108 32.800 33.933 -1.133 1
1 1277 . 3 1 1 A 108 108 LYS N N 108 120.500 119.671 0.829 1
1 1278 . 3 1 1 A 109 109 LEU H H 109 8.220 8.512 -0.292 1
1 1279 . 3 1 1 A 109 109 LEU HA H 109 4.260 4.974 -0.714 1
1 1289 . 3 1 1 A 109 109 LEU CA C 109 55.000 53.278 1.722 1
1 1290 . 3 1 1 A 109 109 LEU CB C 109 41.900 44.377 -2.477 1
1 1294 . 3 1 1 A 109 109 LEU N N 109 122.200 121.709 0.491 1
1 1295 . 3 1 1 A 110 110 GLU H H 110 8.160 8.655 -0.495 1
1 1296 . 3 1 1 A 110 110 GLU HA H 110 4.190 4.110 0.080 1
1 1301 . 3 1 1 A 110 110 GLU CA C 110 56.000 59.389 -3.389 1
1 1302 . 3 1 1 A 110 110 GLU CB C 110 29.900 29.694 0.206 1
1 1304 . 3 1 1 A 110 110 GLU N N 110 121.000 121.271 -0.271 1
1 1305 . 3 1 1 A 111 111 HIS H H 111 8.460 8.110 0.350 1
1 1306 . 3 1 1 A 111 111 HIS HA H 111 4.630 4.122 0.508 1
1 1309 . 3 1 1 A 111 111 HIS CA C 111 54.900 56.770 -1.870 1
1 1310 . 3 1 1 A 111 111 HIS CB C 111 28.700 28.159 0.541 1
1 1311 . 3 1 1 A 111 111 HIS N N 111 118.900 118.535 0.365 1
1 1312 . 3 1 1 A 112 112 HIS H H 112 8.540 7.802 0.738 1
1 1313 . 3 1 1 A 112 112 HIS HA H 112 4.640 5.159 -0.519 1
1 1316 . 3 1 1 A 112 112 HIS CA C 112 55.100 53.721 1.379 1
1 1317 . 3 1 1 A 112 112 HIS CB C 112 28.900 32.403 -3.503 1
1 1318 . 3 1 1 A 112 112 HIS N N 112 119.100 116.734 2.366 1
1 1319 . 3 1 1 A 113 113 HIS H H 113 8.630 8.996 -0.366 1
1 1320 . 3 1 1 A 113 113 HIS HA H 113 4.670 4.655 0.015 1
1 1323 . 3 1 1 A 113 113 HIS CA C 113 55.200 55.536 -0.336 1
1 1324 . 3 1 1 A 113 113 HIS CB C 113 28.900 31.728 -2.828 1
1 1325 . 3 1 1 A 113 113 HIS N N 113 119.400 117.487 1.913 1
1 1326 . 3 1 1 A 114 114 HIS H H 114 8.670 8.610 0.060 1
1 1327 . 3 1 1 A 114 114 HIS HA H 114 4.670 4.519 0.151 1
1 1330 . 3 1 1 A 114 114 HIS CA C 114 55.200 55.329 -0.129 1
1 1331 . 3 1 1 A 114 114 HIS CB C 114 29.100 29.909 -0.809 1
1 1332 . 3 1 1 A 114 114 HIS N N 114 120.400 120.914 -0.514 1
1 1333 . 3 1 1 A 115 115 HIS H H 115 8.560 8.562 -0.002 1
1 1334 . 3 1 1 A 115 115 HIS HA H 115 4.660 4.104 0.556 1
1 1337 . 3 1 1 A 115 115 HIS CA C 115 55.300 56.747 -1.447 1
1 1338 . 3 1 1 A 115 115 HIS CB C 115 29.300 28.740 0.560 1
1 1339 . 3 1 1 A 115 115 HIS N N 115 120.600 124.177 -3.577 1
1 5 . 4 1 1 A 2 2 ALA H H 2 8.190 7.971 0.219 1
1 6 . 4 1 1 A 2 2 ALA HA H 2 4.510 4.235 0.275 1
1 10 . 4 1 1 A 2 2 ALA CA C 2 51.900 53.205 -1.305 1
1 11 . 4 1 1 A 2 2 ALA CB C 2 19.500 18.850 0.650 1
1 12 . 4 1 1 A 2 2 ALA N N 2 124.100 121.492 2.608 1
1 13 . 4 1 1 A 3 3 GLU H H 3 8.740 8.240 0.500 1
1 14 . 4 1 1 A 3 3 GLU HA H 3 4.380 4.461 -0.081 1
1 19 . 4 1 1 A 3 3 GLU CA C 3 56.000 57.311 -1.311 1
1 20 . 4 1 1 A 3 3 GLU CB C 3 29.900 29.696 0.204 1
1 22 . 4 1 1 A 3 3 GLU N N 3 120.700 117.593 3.107 1
1 23 . 4 1 1 A 4 4 LYS H H 4 8.580 8.725 -0.145 1
1 24 . 4 1 1 A 4 4 LYS HA H 4 4.280 4.091 0.189 1
1 33 . 4 1 1 A 4 4 LYS CA C 4 56.600 58.666 -2.066 1
1 34 . 4 1 1 A 4 4 LYS CB C 4 32.600 31.509 1.091 1
1 38 . 4 1 1 A 4 4 LYS N N 4 122.500 118.994 3.506 1
1 39 . 4 1 1 A 5 5 ASN H H 5 8.560 7.739 0.821 1
1 40 . 4 1 1 A 5 5 ASN HA H 5 4.700 5.074 -0.374 1
1 45 . 4 1 1 A 5 5 ASN CA C 5 53.200 54.728 -1.528 1
1 46 . 4 1 1 A 5 5 ASN CB C 5 38.900 40.382 -1.482 1
1 47 . 4 1 1 A 5 5 ASN N N 5 119.500 116.545 2.955 1
1 49 . 4 1 1 A 6 6 ALA H H 6 8.210 8.085 0.125 1
1 50 . 4 1 1 A 6 6 ALA HA H 6 4.520 4.636 -0.116 1
1 54 . 4 1 1 A 6 6 ALA CA C 6 51.800 50.539 1.261 1
1 55 . 4 1 1 A 6 6 ALA CB C 6 19.600 20.798 -1.198 1
1 56 . 4 1 1 A 6 6 ALA N N 6 124.100 121.560 2.540 1
1 57 . 4 1 1 A 7 7 TYR H H 7 8.740 8.576 0.164 1
1 58 . 4 1 1 A 7 7 TYR HA H 7 4.700 4.868 -0.168 1
1 65 . 4 1 1 A 7 7 TYR CA C 7 58.900 57.171 1.729 1
1 66 . 4 1 1 A 7 7 TYR CB C 7 40.300 40.350 -0.050 1
1 69 . 4 1 1 A 7 7 TYR N N 7 121.400 123.639 -2.239 1
1 70 . 4 1 1 A 8 8 THR H H 8 8.170 8.763 -0.593 1
1 71 . 4 1 1 A 8 8 THR HA H 8 5.220 5.035 0.185 1
1 76 . 4 1 1 A 8 8 THR CA C 8 59.800 59.758 0.042 1
1 77 . 4 1 1 A 8 8 THR CB C 8 71.600 72.202 -0.602 1
1 79 . 4 1 1 A 8 8 THR N N 8 113.700 111.182 2.518 1
1 80 . 4 1 1 A 9 9 VAL H H 9 8.990 8.799 0.191 1
1 81 . 4 1 1 A 9 9 VAL HA H 9 3.370 4.049 -0.679 1
1 89 . 4 1 1 A 9 9 VAL CA C 9 66.700 65.162 1.538 1
1 90 . 4 1 1 A 9 9 VAL CB C 9 30.200 32.034 -1.834 1
1 93 . 4 1 1 A 9 9 VAL N N 9 121.400 122.664 -1.264 1
1 94 . 4 1 1 A 10 10 ALA H H 10 9.340 8.368 0.972 1
1 95 . 4 1 1 A 10 10 ALA HA H 10 3.720 3.989 -0.269 1
1 99 . 4 1 1 A 10 10 ALA CA C 10 55.800 55.580 0.220 1
1 100 . 4 1 1 A 10 10 ALA CB C 10 18.200 17.990 0.210 1
1 101 . 4 1 1 A 10 10 ALA N N 10 122.000 123.360 -1.360 1
1 102 . 4 1 1 A 11 11 GLN H H 11 7.330 7.685 -0.355 1
1 103 . 4 1 1 A 11 11 GLN HA H 11 4.050 4.070 -0.020 1
1 110 . 4 1 1 A 11 11 GLN CA C 11 58.400 58.669 -0.269 1
1 111 . 4 1 1 A 11 11 GLN CB C 11 28.700 28.495 0.205 1
1 113 . 4 1 1 A 11 11 GLN N N 11 115.300 117.951 -2.651 1
1 115 . 4 1 1 A 12 12 LEU H H 12 8.510 8.157 0.353 1
1 116 . 4 1 1 A 12 12 LEU HA H 12 4.200 4.164 0.036 1
1 126 . 4 1 1 A 12 12 LEU CA C 12 57.600 58.004 -0.404 1
1 127 . 4 1 1 A 12 12 LEU CB C 12 41.700 41.366 0.334 1
1 131 . 4 1 1 A 12 12 LEU N N 12 121.500 121.610 -0.110 1
1 132 . 4 1 1 A 13 13 ALA H H 13 9.160 8.505 0.655 1
1 133 . 4 1 1 A 13 13 ALA HA H 13 3.990 3.926 0.064 1
1 137 . 4 1 1 A 13 13 ALA CA C 13 55.400 55.324 0.076 1
1 138 . 4 1 1 A 13 13 ALA CB C 13 17.700 17.499 0.201 1
1 139 . 4 1 1 A 13 13 ALA N N 13 121.000 120.374 0.626 1
1 140 . 4 1 1 A 14 14 ASP H H 14 7.920 7.824 0.096 1
1 141 . 4 1 1 A 14 14 ASP HA H 14 4.480 4.316 0.164 1
1 144 . 4 1 1 A 14 14 ASP CA C 14 57.200 57.346 -0.146 1
1 145 . 4 1 1 A 14 14 ASP CB C 14 39.500 41.059 -1.559 1
1 146 . 4 1 1 A 14 14 ASP N N 14 117.400 118.569 -1.169 1
1 147 . 4 1 1 A 15 15 GLU H H 15 8.210 8.302 -0.092 1
1 148 . 4 1 1 A 15 15 GLU HA H 15 4.110 4.072 0.038 1
1 153 . 4 1 1 A 15 15 GLU CA C 15 59.800 59.341 0.459 1
1 154 . 4 1 1 A 15 15 GLU CB C 15 30.100 29.350 0.750 1
1 156 . 4 1 1 A 15 15 GLU N N 15 122.500 119.293 3.207 1
1 157 . 4 1 1 A 16 16 TYR H H 16 9.230 8.083 1.147 1
1 158 . 4 1 1 A 16 16 TYR HA H 16 3.180 4.144 -0.964 1
1 165 . 4 1 1 A 16 16 TYR CA C 16 61.100 61.447 -0.347 1
1 166 . 4 1 1 A 16 16 TYR CB C 16 38.300 38.419 -0.119 1
1 169 . 4 1 1 A 16 16 TYR N N 16 119.400 120.788 -1.388 1
1 170 . 4 1 1 A 17 17 PHE H H 17 8.700 7.974 0.726 1
1 171 . 4 1 1 A 17 17 PHE HA H 17 3.480 4.009 -0.529 1
1 178 . 4 1 1 A 17 17 PHE CA C 17 61.600 61.714 -0.114 1
1 179 . 4 1 1 A 17 17 PHE CB C 17 39.300 38.979 0.321 1
1 182 . 4 1 1 A 17 17 PHE N N 17 118.400 121.126 -2.726 1
1 183 . 4 1 1 A 18 18 GLU H H 18 8.280 8.261 0.019 1
1 184 . 4 1 1 A 18 18 GLU HA H 18 3.840 4.027 -0.187 1
1 189 . 4 1 1 A 18 18 GLU CA C 18 58.800 59.352 -0.552 1
1 190 . 4 1 1 A 18 18 GLU CB C 18 29.000 29.159 -0.159 1
1 192 . 4 1 1 A 18 18 GLU N N 18 118.500 120.026 -1.526 1
1 193 . 4 1 1 A 19 19 ARG H H 19 8.350 7.500 0.850 1
1 194 . 4 1 1 A 19 19 ARG HA H 19 4.200 4.302 -0.102 1
1 202 . 4 1 1 A 19 19 ARG CA C 19 57.300 57.214 0.086 1
1 203 . 4 1 1 A 19 19 ARG CB C 19 30.900 30.991 -0.091 1
1 206 . 4 1 1 A 19 19 ARG N N 19 114.300 118.484 -4.184 1
1 208 . 4 1 1 A 20 20 MET H H 20 7.960 7.774 0.186 1
1 209 . 4 1 1 A 20 20 MET HA H 20 4.610 4.328 0.282 1
1 217 . 4 1 1 A 20 20 MET CA C 20 54.100 56.430 -2.330 1
1 218 . 4 1 1 A 20 20 MET CB C 20 31.800 33.365 -1.565 1
1 221 . 4 1 1 A 20 20 MET N N 20 112.400 117.675 -5.275 1
1 222 . 4 1 1 A 21 21 ILE H H 21 6.970 7.152 -0.182 1
1 223 . 4 1 1 A 21 21 ILE HA H 21 4.050 4.099 -0.049 1
1 233 . 4 1 1 A 21 21 ILE CA C 21 59.800 60.179 -0.379 1
1 234 . 4 1 1 A 21 21 ILE CB C 21 35.900 36.753 -0.853 1
1 238 . 4 1 1 A 21 21 ILE N N 21 117.900 115.315 2.585 1
1 239 . 4 1 1 A 22 22 ALA H H 22 7.700 7.272 0.428 1
1 240 . 4 1 1 A 22 22 ALA HA H 22 3.600 3.738 -0.138 1
1 244 . 4 1 1 A 22 22 ALA CA C 22 53.900 50.470 3.430 1
1 245 . 4 1 1 A 22 22 ALA CB C 22 18.000 17.782 0.218 1
1 246 . 4 1 1 A 22 22 ALA N N 22 123.500 125.018 -1.518 1
1 247 . 4 1 1 A 23 23 GLY H H 23 8.460 7.822 0.638 1
1 248 . 4 1 1 A 23 23 GLY HA2 H 23 3.960 3.792 0.168 1
1 249 . 4 1 1 A 23 23 GLY HA3 H 23 3.820 4.204 -0.384 1
1 250 . 4 1 1 A 23 23 GLY CA C 23 45.600 45.417 0.183 1
1 251 . 4 1 1 A 23 23 GLY N N 23 109.600 108.975 0.625 1
1 252 . 4 1 1 A 24 24 ARG H H 24 7.830 9.220 -1.390 1
1 253 . 4 1 1 A 24 24 ARG HA H 24 4.440 3.936 0.504 1
1 261 . 4 1 1 A 24 24 ARG CA C 24 56.700 57.224 -0.524 1
1 262 . 4 1 1 A 24 24 ARG CB C 24 32.400 28.742 3.658 1
1 265 . 4 1 1 A 24 24 ARG N N 24 118.400 125.410 -7.010 1
1 267 . 4 1 1 A 25 25 TRP H H 25 8.240 7.789 0.451 1
1 268 . 4 1 1 A 25 25 TRP HA H 25 4.640 4.874 -0.234 1
1 277 . 4 1 1 A 25 25 TRP CA C 25 56.900 56.912 -0.012 1
1 278 . 4 1 1 A 25 25 TRP CB C 25 31.400 31.272 0.128 1
1 284 . 4 1 1 A 25 25 TRP N N 25 121.500 120.754 0.746 1
1 286 . 4 1 1 A 26 26 LYS H H 26 7.890 6.580 1.310 1
1 287 . 4 1 1 A 26 26 LYS HA H 26 3.910 3.425 0.485 1
1 296 . 4 1 1 A 26 26 LYS CA C 26 56.800 57.563 -0.763 1
1 297 . 4 1 1 A 26 26 LYS CB C 26 32.200 30.052 2.148 1
1 301 . 4 1 1 A 26 26 LYS N N 26 122.500 114.556 7.944 1
1 302 . 4 1 1 A 27 27 HIS H H 27 7.840 7.712 0.128 1
1 303 . 4 1 1 A 27 27 HIS HA H 27 5.230 4.899 0.331 1
1 307 . 4 1 1 A 27 27 HIS CA C 27 53.200 52.822 0.378 1
1 308 . 4 1 1 A 27 27 HIS CB C 27 28.200 29.607 -1.407 1
1 310 . 4 1 1 A 27 27 HIS N N 27 112.700 114.287 -1.587 1
1 311 . 4 1 1 A 28 28 PRO HA H 28 4.120 4.559 -0.439 1
1 318 . 4 1 1 A 28 28 PRO CA C 28 65.400 65.443 -0.043 1
1 319 . 4 1 1 A 28 28 PRO CB C 28 32.200 32.172 0.028 1
1 322 . 4 1 1 A 29 29 ASN H H 29 8.840 8.936 -0.096 1
1 323 . 4 1 1 A 29 29 ASN HA H 29 4.470 4.546 -0.076 1
1 328 . 4 1 1 A 29 29 ASN CA C 29 56.100 55.511 0.589 1
1 329 . 4 1 1 A 29 29 ASN CB C 29 37.000 37.128 -0.128 1
1 330 . 4 1 1 A 29 29 ASN N N 29 116.300 115.169 1.131 1
1 332 . 4 1 1 A 30 30 ILE H H 30 7.630 7.784 -0.154 1
1 333 . 4 1 1 A 30 30 ILE HA H 30 3.910 3.590 0.320 1
1 343 . 4 1 1 A 30 30 ILE CA C 30 63.700 64.864 -1.164 1
1 344 . 4 1 1 A 30 30 ILE CB C 30 37.300 37.756 -0.456 1
1 348 . 4 1 1 A 30 30 ILE N N 30 121.500 121.370 0.130 1
1 349 . 4 1 1 A 31 31 VAL H H 31 6.920 7.752 -0.832 1
1 350 . 4 1 1 A 31 31 VAL HA H 31 3.020 3.750 -0.730 1
1 358 . 4 1 1 A 31 31 VAL CA C 31 65.500 64.730 0.770 1
1 359 . 4 1 1 A 31 31 VAL CB C 31 30.900 31.424 -0.524 1
1 362 . 4 1 1 A 31 31 VAL N N 31 119.900 121.146 -1.246 1
1 363 . 4 1 1 A 32 32 ARG H H 32 8.080 8.323 -0.243 1
1 364 . 4 1 1 A 32 32 ARG HA H 32 3.380 3.996 -0.616 1
1 371 . 4 1 1 A 32 32 ARG CA C 32 58.900 59.767 -0.867 1
1 372 . 4 1 1 A 32 32 ARG CB C 32 28.800 29.901 -1.101 1
1 375 . 4 1 1 A 32 32 ARG N N 32 118.900 123.420 -4.520 1
1 376 . 4 1 1 A 33 33 SER H H 33 7.840 8.278 -0.438 1
1 377 . 4 1 1 A 33 33 SER HA H 33 4.130 4.075 0.055 1
1 380 . 4 1 1 A 33 33 SER CA C 33 61.900 62.266 -0.366 1
1 381 . 4 1 1 A 33 33 SER CB C 33 62.700 62.788 -0.088 1
1 382 . 4 1 1 A 33 33 SER N N 33 113.400 116.679 -3.279 1
1 383 . 4 1 1 A 34 34 ARG H H 34 7.610 7.585 0.025 1
1 384 . 4 1 1 A 34 34 ARG HA H 34 4.370 4.403 -0.033 1
1 392 . 4 1 1 A 34 34 ARG CA C 34 58.100 59.147 -1.047 1
1 393 . 4 1 1 A 34 34 ARG CB C 34 29.600 29.961 -0.361 1
1 396 . 4 1 1 A 34 34 ARG N N 34 119.900 121.879 -1.979 1
1 398 . 4 1 1 A 35 35 ILE H H 35 8.070 8.321 -0.251 1
1 399 . 4 1 1 A 35 35 ILE HA H 35 3.470 3.577 -0.107 1
1 409 . 4 1 1 A 35 35 ILE CA C 35 65.800 65.526 0.274 1
1 410 . 4 1 1 A 35 35 ILE CB C 35 38.200 37.967 0.233 1
1 414 . 4 1 1 A 35 35 ILE N N 35 118.600 120.798 -2.198 1
1 415 . 4 1 1 A 36 36 GLU H H 36 8.710 8.628 0.082 1
1 416 . 4 1 1 A 36 36 GLU HA H 36 3.880 4.106 -0.226 1
1 421 . 4 1 1 A 36 36 GLU CA C 36 58.400 58.995 -0.595 1
1 422 . 4 1 1 A 36 36 GLU CB C 36 30.000 29.847 0.153 1
1 424 . 4 1 1 A 36 36 GLU N N 36 116.800 118.375 -1.575 1
1 425 . 4 1 1 A 37 37 LYS H H 37 8.550 7.877 0.673 1
1 426 . 4 1 1 A 37 37 LYS HA H 37 4.300 4.425 -0.125 1
1 435 . 4 1 1 A 37 37 LYS CA C 37 57.300 57.895 -0.595 1
1 436 . 4 1 1 A 37 37 LYS CB C 37 33.000 33.797 -0.797 1
1 440 . 4 1 1 A 37 37 LYS N N 37 114.300 120.190 -5.890 1
1 441 . 4 1 1 A 38 38 ASP H H 38 7.480 7.995 -0.515 1
1 442 . 4 1 1 A 38 38 ASP HA H 38 4.970 4.504 0.466 1
1 445 . 4 1 1 A 38 38 ASP CA C 38 55.300 56.633 -1.333 1
1 446 . 4 1 1 A 38 38 ASP CB C 38 42.700 41.037 1.663 1
1 447 . 4 1 1 A 38 38 ASP N N 38 113.900 120.145 -6.245 1
1 448 . 4 1 1 A 39 39 ILE H H 39 7.540 8.440 -0.900 1
1 449 . 4 1 1 A 39 39 ILE HA H 39 3.940 3.753 0.187 1
1 459 . 4 1 1 A 39 39 ILE CA C 39 64.700 65.339 -0.639 1
1 460 . 4 1 1 A 39 39 ILE CB C 39 39.000 37.955 1.045 1
1 464 . 4 1 1 A 39 39 ILE N N 39 116.800 118.605 -1.805 1
1 465 . 4 1 1 A 40 40 LYS H H 40 8.840 7.828 1.012 1
1 466 . 4 1 1 A 40 40 LYS HA H 40 3.650 4.609 -0.959 1
1 475 . 4 1 1 A 40 40 LYS CA C 40 50.600 52.772 -2.172 1
1 476 . 4 1 1 A 40 40 LYS CB C 40 30.400 33.116 -2.716 1
1 480 . 4 1 1 A 40 40 LYS N N 40 118.400 121.027 -2.627 1
1 481 . 4 1 1 A 41 41 PRO HA H 41 4.280 4.508 -0.228 1
1 488 . 4 1 1 A 41 41 PRO CA C 41 65.700 65.309 0.391 1
1 489 . 4 1 1 A 41 41 PRO CB C 41 30.700 32.035 -1.335 1
1 492 . 4 1 1 A 42 42 ALA H H 42 6.660 8.318 -1.658 1
1 493 . 4 1 1 A 42 42 ALA HA H 42 4.430 4.590 -0.160 1
1 497 . 4 1 1 A 42 42 ALA CA C 42 53.800 52.657 1.143 1
1 498 . 4 1 1 A 42 42 ALA CB C 42 20.800 21.571 -0.771 1
1 499 . 4 1 1 A 42 42 ALA N N 42 115.300 118.050 -2.750 1
1 500 . 4 1 1 A 43 43 ILE H H 43 7.540 7.512 0.028 1
1 501 . 4 1 1 A 43 43 ILE HA H 43 4.810 4.250 0.560 1
1 511 . 4 1 1 A 43 43 ILE CA C 43 60.600 60.751 -0.151 1
1 512 . 4 1 1 A 43 43 ILE CB C 43 41.200 37.090 4.110 1
1 516 . 4 1 1 A 43 43 ILE N N 43 105.000 112.613 -7.613 1
1 517 . 4 1 1 A 44 44 GLY H H 44 8.500 8.047 0.453 1
1 518 . 4 1 1 A 44 44 GLY HA2 H 44 4.170 3.858 0.312 1
1 519 . 4 1 1 A 44 44 GLY HA3 H 44 3.430 3.876 -0.446 1
1 520 . 4 1 1 A 44 44 GLY CA C 44 47.300 46.172 1.128 1
1 521 . 4 1 1 A 44 44 GLY N N 44 109.600 112.203 -2.603 1
1 522 . 4 1 1 A 45 45 SER H H 45 8.120 8.970 -0.850 1
1 523 . 4 1 1 A 45 45 SER HA H 45 4.440 4.132 0.308 1
1 526 . 4 1 1 A 45 45 SER CA C 45 58.600 59.991 -1.391 1
1 527 . 4 1 1 A 45 45 SER CB C 45 63.400 61.150 2.250 1
1 528 . 4 1 1 A 45 45 SER N N 45 110.400 115.143 -4.743 1
1 529 . 4 1 1 A 46 46 LEU H H 46 7.480 7.766 -0.286 1
1 530 . 4 1 1 A 46 46 LEU HA H 46 4.180 4.408 -0.228 1
1 540 . 4 1 1 A 46 46 LEU CA C 46 54.800 53.512 1.288 1
1 541 . 4 1 1 A 46 46 LEU CB C 46 41.700 40.608 1.092 1
1 545 . 4 1 1 A 46 46 LEU N N 46 122.600 122.718 -0.118 1
1 546 . 4 1 1 A 47 47 LYS H H 47 8.790 7.845 0.945 1
1 547 . 4 1 1 A 47 47 LYS HA H 47 4.460 4.125 0.335 1
1 556 . 4 1 1 A 47 47 LYS CA C 47 56.700 58.304 -1.604 1
1 557 . 4 1 1 A 47 47 LYS CB C 47 31.100 31.244 -0.144 1
1 561 . 4 1 1 A 47 47 LYS N N 47 120.800 121.989 -1.189 1
1 562 . 4 1 1 A 48 48 VAL H H 48 8.600 8.074 0.526 1
1 563 . 4 1 1 A 48 48 VAL HA H 48 3.470 3.910 -0.440 1
1 571 . 4 1 1 A 48 48 VAL CA C 48 66.900 65.990 0.910 1
1 572 . 4 1 1 A 48 48 VAL CB C 48 31.000 31.338 -0.338 1
1 575 . 4 1 1 A 48 48 VAL N N 48 123.000 121.501 1.499 1
1 576 . 4 1 1 A 49 49 GLU H H 49 9.360 8.114 1.246 1
1 577 . 4 1 1 A 49 49 GLU HA H 49 4.180 4.091 0.089 1
1 582 . 4 1 1 A 49 49 GLU CA C 49 57.600 58.866 -1.266 1
1 583 . 4 1 1 A 49 49 GLU CB C 49 28.500 29.165 -0.665 1
1 585 . 4 1 1 A 49 49 GLU N N 49 115.300 119.977 -4.677 1
1 586 . 4 1 1 A 50 50 ASP H H 50 7.840 7.824 0.016 1
1 587 . 4 1 1 A 50 50 ASP HA H 50 4.840 4.611 0.229 1
1 590 . 4 1 1 A 50 50 ASP CA C 50 53.800 55.521 -1.721 1
1 591 . 4 1 1 A 50 50 ASP CB C 50 41.400 41.566 -0.166 1
1 592 . 4 1 1 A 50 50 ASP N N 50 118.900 118.525 0.375 1
1 593 . 4 1 1 A 51 51 VAL H H 51 7.150 7.479 -0.329 1
1 594 . 4 1 1 A 51 51 VAL HA H 51 3.950 4.268 -0.318 1
1 602 . 4 1 1 A 51 51 VAL CA C 51 63.700 62.070 1.630 1
1 603 . 4 1 1 A 51 51 VAL CB C 51 30.900 31.634 -0.734 1
1 606 . 4 1 1 A 51 51 VAL N N 51 119.900 120.983 -1.083 1
1 607 . 4 1 1 A 52 52 LYS H H 52 11.840 7.786 4.054 1
1 608 . 4 1 1 A 52 52 LYS HA H 52 4.980 4.433 0.547 1
1 617 . 4 1 1 A 52 52 LYS CA C 52 52.800 53.574 -0.774 1
1 618 . 4 1 1 A 52 52 LYS CB C 52 33.100 32.074 1.026 1
1 622 . 4 1 1 A 52 52 LYS N N 52 133.900 128.774 5.126 1
1 623 . 4 1 1 A 53 53 PRO HA H 53 4.370 4.365 0.005 1
1 630 . 4 1 1 A 53 53 PRO CA C 53 66.600 65.346 1.254 1
1 631 . 4 1 1 A 53 53 PRO CB C 53 31.600 31.954 -0.354 1
1 634 . 4 1 1 A 54 54 ARG H H 54 8.180 8.358 -0.178 1
1 635 . 4 1 1 A 54 54 ARG HA H 54 4.200 4.124 0.076 1
1 643 . 4 1 1 A 54 54 ARG CA C 54 58.300 59.160 -0.860 1
1 644 . 4 1 1 A 54 54 ARG CB C 54 28.700 30.106 -1.406 1
1 647 . 4 1 1 A 54 54 ARG N N 54 113.800 118.599 -4.799 1
1 649 . 4 1 1 A 55 55 HIS H H 55 7.650 7.687 -0.037 1
1 650 . 4 1 1 A 55 55 HIS HA H 55 4.430 4.464 -0.034 1
1 655 . 4 1 1 A 55 55 HIS CA C 55 60.500 59.615 0.885 1
1 656 . 4 1 1 A 55 55 HIS CB C 55 31.400 29.779 1.621 1
1 659 . 4 1 1 A 55 55 HIS N N 55 118.400 118.511 -0.111 1
1 660 . 4 1 1 A 56 56 ILE H H 56 7.280 7.733 -0.453 1
1 661 . 4 1 1 A 56 56 ILE HA H 56 3.480 3.544 -0.064 1
1 671 . 4 1 1 A 56 56 ILE CA C 56 61.900 65.635 -3.735 1
1 672 . 4 1 1 A 56 56 ILE CB C 56 33.900 37.981 -4.081 1
1 676 . 4 1 1 A 56 56 ILE N N 56 117.400 120.182 -2.782 1
1 677 . 4 1 1 A 57 57 ASP H H 57 8.010 8.060 -0.050 1
1 678 . 4 1 1 A 57 57 ASP HA H 57 4.220 4.277 -0.057 1
1 681 . 4 1 1 A 57 57 ASP CA C 57 57.200 57.872 -0.672 1
1 682 . 4 1 1 A 57 57 ASP CB C 57 40.900 41.505 -0.605 1
1 683 . 4 1 1 A 57 57 ASP N N 57 119.400 121.286 -1.886 1
1 684 . 4 1 1 A 58 58 ASP H H 58 8.000 7.657 0.343 1
1 685 . 4 1 1 A 58 58 ASP HA H 58 4.380 4.423 -0.043 1
1 688 . 4 1 1 A 58 58 ASP CA C 58 57.600 57.282 0.318 1
1 689 . 4 1 1 A 58 58 ASP CB C 58 39.200 41.169 -1.969 1
1 690 . 4 1 1 A 58 58 ASP N N 58 117.400 120.020 -2.620 1
1 691 . 4 1 1 A 59 59 VAL H H 59 7.800 7.977 -0.177 1
1 692 . 4 1 1 A 59 59 VAL HA H 59 3.620 3.791 -0.171 1
1 700 . 4 1 1 A 59 59 VAL CA C 59 66.200 65.500 0.700 1
1 701 . 4 1 1 A 59 59 VAL CB C 59 31.400 31.501 -0.101 1
1 704 . 4 1 1 A 59 59 VAL N N 59 121.200 117.289 3.911 1
1 705 . 4 1 1 A 60 60 LEU H H 60 8.030 8.358 -0.328 1
1 706 . 4 1 1 A 60 60 LEU HA H 60 3.870 3.907 -0.037 1
1 716 . 4 1 1 A 60 60 LEU CA C 60 58.000 57.928 0.072 1
1 717 . 4 1 1 A 60 60 LEU CB C 60 40.300 40.935 -0.635 1
1 721 . 4 1 1 A 60 60 LEU N N 60 118.900 121.634 -2.734 1
1 722 . 4 1 1 A 61 61 LYS H H 61 8.710 8.019 0.691 1
1 723 . 4 1 1 A 61 61 LYS HA H 61 3.920 3.947 -0.027 1
1 732 . 4 1 1 A 61 61 LYS CA C 61 59.600 58.961 0.639 1
1 733 . 4 1 1 A 61 61 LYS CB C 61 32.500 32.214 0.286 1
1 737 . 4 1 1 A 61 61 LYS N N 61 118.300 120.948 -2.648 1
1 738 . 4 1 1 A 62 62 ALA H H 62 7.590 7.541 0.049 1
1 739 . 4 1 1 A 62 62 ALA HA H 62 4.170 4.060 0.110 1
1 743 . 4 1 1 A 62 62 ALA CA C 62 55.100 55.011 0.089 1
1 744 . 4 1 1 A 62 62 ALA CB C 62 17.900 18.291 -0.391 1
1 745 . 4 1 1 A 62 62 ALA N N 62 121.000 121.734 -0.734 1
1 746 . 4 1 1 A 63 63 VAL H H 63 8.090 7.975 0.115 1
1 747 . 4 1 1 A 63 63 VAL HA H 63 3.710 3.884 -0.174 1
1 755 . 4 1 1 A 63 63 VAL CA C 63 65.700 65.375 0.325 1
1 756 . 4 1 1 A 63 63 VAL CB C 63 31.700 31.189 0.511 1
1 759 . 4 1 1 A 63 63 VAL N N 63 118.000 117.008 0.992 1
1 760 . 4 1 1 A 64 64 MET H H 64 8.360 8.140 0.220 1
1 761 . 4 1 1 A 64 64 MET HA H 64 4.110 4.205 -0.095 1
1 769 . 4 1 1 A 64 64 MET CA C 64 57.600 58.565 -0.965 1
1 770 . 4 1 1 A 64 64 MET CB C 64 31.700 33.360 -1.660 1
1 773 . 4 1 1 A 64 64 MET N N 64 119.400 120.253 -0.853 1
1 774 . 4 1 1 A 65 65 LYS H H 65 7.660 8.099 -0.439 1
1 775 . 4 1 1 A 65 65 LYS HA H 65 4.170 4.061 0.109 1
1 784 . 4 1 1 A 65 65 LYS CA C 65 58.100 59.249 -1.149 1
1 785 . 4 1 1 A 65 65 LYS CB C 65 32.500 32.166 0.334 1
1 789 . 4 1 1 A 65 65 LYS N N 65 118.900 118.455 0.445 1
1 790 . 4 1 1 A 66 66 ARG H H 66 7.600 7.661 -0.061 1
1 791 . 4 1 1 A 66 66 ARG HA H 66 4.430 4.349 0.081 1
1 799 . 4 1 1 A 66 66 ARG CA C 66 56.600 56.145 0.455 1
1 800 . 4 1 1 A 66 66 ARG CB C 66 30.400 30.342 0.058 1
1 803 . 4 1 1 A 66 66 ARG N N 66 115.800 117.566 -1.766 1
1 805 . 4 1 1 A 67 67 GLY H H 67 7.830 7.731 0.099 1
1 806 . 4 1 1 A 67 67 GLY HA2 H 67 4.010 4.132 -0.122 1
1 807 . 4 1 1 A 67 67 GLY HA3 H 67 3.980 4.132 -0.152 1
1 808 . 4 1 1 A 67 67 GLY CA C 67 45.700 45.627 0.073 1
1 809 . 4 1 1 A 67 67 GLY N N 67 107.400 108.877 -1.477 1
1 810 . 4 1 1 A 68 68 ALA H H 68 7.730 8.558 -0.828 1
1 811 . 4 1 1 A 68 68 ALA HA H 68 4.980 4.871 0.109 1
1 815 . 4 1 1 A 68 68 ALA CA C 68 49.700 49.788 -0.088 1
1 816 . 4 1 1 A 68 68 ALA CB C 68 18.900 22.185 -3.285 1
1 817 . 4 1 1 A 68 68 ALA N N 68 122.500 124.697 -2.197 1
1 818 . 4 1 1 A 69 69 PRO HA H 69 4.350 4.339 0.011 1
1 825 . 4 1 1 A 69 69 PRO CA C 69 65.400 64.522 0.878 1
1 826 . 4 1 1 A 69 69 PRO CB C 69 31.700 32.084 -0.384 1
1 829 . 4 1 1 A 70 70 SER H H 70 8.430 8.510 -0.080 1
1 830 . 4 1 1 A 70 70 SER HA H 70 4.250 4.322 -0.072 1
1 833 . 4 1 1 A 70 70 SER CA C 70 61.000 60.709 0.291 1
1 834 . 4 1 1 A 70 70 SER CB C 70 61.500 63.076 -1.576 1
1 835 . 4 1 1 A 70 70 SER N N 70 112.200 113.199 -0.999 1
1 836 . 4 1 1 A 71 71 ILE H H 71 7.430 7.613 -0.183 1
1 837 . 4 1 1 A 71 71 ILE HA H 71 3.980 3.818 0.162 1
1 847 . 4 1 1 A 71 71 ILE CA C 71 63.100 64.930 -1.830 1
1 848 . 4 1 1 A 71 71 ILE CB C 71 36.700 37.815 -1.115 1
1 852 . 4 1 1 A 71 71 ILE N N 71 122.000 122.521 -0.521 1
1 853 . 4 1 1 A 72 72 ALA H H 72 7.780 7.940 -0.160 1
1 854 . 4 1 1 A 72 72 ALA HA H 72 3.910 4.041 -0.131 1
1 858 . 4 1 1 A 72 72 ALA CA C 72 55.800 55.440 0.360 1
1 859 . 4 1 1 A 72 72 ALA CB C 72 17.900 17.936 -0.036 1
1 860 . 4 1 1 A 72 72 ALA N N 72 126.100 122.986 3.114 1
1 861 . 4 1 1 A 73 73 ASN H H 73 8.180 8.234 -0.054 1
1 862 . 4 1 1 A 73 73 ASN HA H 73 4.410 4.417 -0.007 1
1 867 . 4 1 1 A 73 73 ASN CA C 73 55.900 55.473 0.427 1
1 868 . 4 1 1 A 73 73 ASN CB C 73 37.800 37.243 0.557 1
1 869 . 4 1 1 A 73 73 ASN N N 73 116.700 115.276 1.424 1
1 871 . 4 1 1 A 74 74 ASP H H 74 8.120 8.069 0.051 1
1 872 . 4 1 1 A 74 74 ASP HA H 74 4.410 4.330 0.080 1
1 875 . 4 1 1 A 74 74 ASP CA C 74 57.500 56.918 0.582 1
1 876 . 4 1 1 A 74 74 ASP CB C 74 41.400 40.867 0.533 1
1 877 . 4 1 1 A 74 74 ASP N N 74 120.800 120.925 -0.125 1
1 878 . 4 1 1 A 75 75 THR H H 75 8.360 8.115 0.245 1
1 879 . 4 1 1 A 75 75 THR HA H 75 3.750 4.153 -0.403 1
1 884 . 4 1 1 A 75 75 THR CA C 75 68.800 67.579 1.221 1
1 885 . 4 1 1 A 75 75 THR CB C 75 67.700 68.258 -0.558 1
1 887 . 4 1 1 A 75 75 THR N N 75 116.300 116.690 -0.390 1
1 888 . 4 1 1 A 76 76 LEU H H 76 8.160 8.315 -0.155 1
1 889 . 4 1 1 A 76 76 LEU HA H 76 3.980 3.952 0.028 1
1 899 . 4 1 1 A 76 76 LEU CA C 76 58.000 58.013 -0.013 1
1 900 . 4 1 1 A 76 76 LEU CB C 76 40.500 41.301 -0.801 1
1 904 . 4 1 1 A 76 76 LEU N N 76 121.000 121.302 -0.302 1
1 905 . 4 1 1 A 77 77 ARG H H 77 7.810 7.959 -0.149 1
1 906 . 4 1 1 A 77 77 ARG HA H 77 3.790 4.016 -0.226 1
1 914 . 4 1 1 A 77 77 ARG CA C 77 60.000 58.724 1.276 1
1 915 . 4 1 1 A 77 77 ARG CB C 77 29.400 29.821 -0.421 1
1 918 . 4 1 1 A 77 77 ARG N N 77 118.400 117.858 0.542 1
1 920 . 4 1 1 A 78 78 TRP H H 78 7.870 7.574 0.296 1
1 921 . 4 1 1 A 78 78 TRP HA H 78 4.490 4.418 0.072 1
1 930 . 4 1 1 A 78 78 TRP CA C 78 60.200 59.257 0.943 1
1 931 . 4 1 1 A 78 78 TRP CB C 78 28.700 29.578 -0.878 1
1 937 . 4 1 1 A 78 78 TRP N N 78 118.300 120.781 -2.481 1
1 939 . 4 1 1 A 79 79 LEU H H 79 8.630 8.508 0.122 1
1 940 . 4 1 1 A 79 79 LEU HA H 79 3.940 3.579 0.361 1
1 950 . 4 1 1 A 79 79 LEU CA C 79 58.200 57.892 0.308 1
1 951 . 4 1 1 A 79 79 LEU CB C 79 42.300 41.590 0.710 1
1 955 . 4 1 1 A 79 79 LEU N N 79 120.200 120.213 -0.013 1
1 956 . 4 1 1 A 80 80 LYS H H 80 8.710 8.548 0.162 1
1 957 . 4 1 1 A 80 80 LYS HA H 80 3.880 4.069 -0.189 1
1 966 . 4 1 1 A 80 80 LYS CA C 80 61.300 59.795 1.505 1
1 967 . 4 1 1 A 80 80 LYS CB C 80 32.300 32.341 -0.041 1
1 971 . 4 1 1 A 80 80 LYS N N 80 118.400 120.151 -1.751 1
1 972 . 4 1 1 A 81 81 ARG H H 81 7.800 7.505 0.295 1
1 973 . 4 1 1 A 81 81 ARG HA H 81 4.030 4.195 -0.165 1
1 981 . 4 1 1 A 81 81 ARG CA C 81 59.700 59.434 0.266 1
1 982 . 4 1 1 A 81 81 ARG CB C 81 30.400 30.686 -0.286 1
1 985 . 4 1 1 A 81 81 ARG N N 81 117.400 119.272 -1.872 1
1 987 . 4 1 1 A 82 82 MET H H 82 8.530 8.005 0.525 1
1 988 . 4 1 1 A 82 82 MET HA H 82 3.000 4.060 -1.060 1
1 996 . 4 1 1 A 82 82 MET CA C 82 58.900 58.734 0.166 1
1 997 . 4 1 1 A 82 82 MET CB C 82 32.300 31.509 0.791 1
1 1000 . 4 1 1 A 82 82 MET N N 82 121.400 118.952 2.448 1
1 1001 . 4 1 1 A 83 83 PHE H H 83 8.340 8.463 -0.123 1
1 1002 . 4 1 1 A 83 83 PHE HA H 83 4.340 4.346 -0.006 1
1 1010 . 4 1 1 A 83 83 PHE CA C 83 61.900 61.071 0.829 1
1 1011 . 4 1 1 A 83 83 PHE CB C 83 38.800 38.427 0.373 1
1 1015 . 4 1 1 A 83 83 PHE N N 83 116.900 117.920 -1.020 1
1 1016 . 4 1 1 A 84 84 ASN H H 84 8.170 8.169 0.001 1
1 1017 . 4 1 1 A 84 84 ASN HA H 84 4.670 4.596 0.074 1
1 1022 . 4 1 1 A 84 84 ASN CA C 84 55.800 56.440 -0.640 1
1 1023 . 4 1 1 A 84 84 ASN CB C 84 37.500 38.726 -1.226 1
1 1024 . 4 1 1 A 84 84 ASN N N 84 120.500 118.579 1.921 1
1 1026 . 4 1 1 A 85 85 TYR H H 85 7.910 8.343 -0.433 1
1 1027 . 4 1 1 A 85 85 TYR HA H 85 4.320 4.272 0.048 1
1 1034 . 4 1 1 A 85 85 TYR CA C 85 61.100 62.080 -0.980 1
1 1035 . 4 1 1 A 85 85 TYR CB C 85 37.900 38.658 -0.758 1
1 1038 . 4 1 1 A 85 85 TYR N N 85 124.000 120.762 3.238 1
1 1039 . 4 1 1 A 86 86 ALA H H 86 7.780 8.023 -0.243 1
1 1040 . 4 1 1 A 86 86 ALA HA H 86 3.670 4.095 -0.425 1
1 1044 . 4 1 1 A 86 86 ALA CA C 86 54.800 54.970 -0.170 1
1 1045 . 4 1 1 A 86 86 ALA CB C 86 18.100 18.256 -0.156 1
1 1046 . 4 1 1 A 86 86 ALA N N 86 120.500 121.711 -1.211 1
1 1047 . 4 1 1 A 87 87 ILE H H 87 7.880 7.906 -0.026 1
1 1048 . 4 1 1 A 87 87 ILE HA H 87 4.240 4.056 0.184 1
1 1058 . 4 1 1 A 87 87 ILE CA C 87 63.900 65.085 -1.185 1
1 1059 . 4 1 1 A 87 87 ILE CB C 87 37.900 37.856 0.044 1
1 1063 . 4 1 1 A 87 87 ILE N N 87 120.400 119.250 1.150 1
1 1064 . 4 1 1 A 88 88 LYS H H 88 7.880 8.591 -0.711 1
1 1065 . 4 1 1 A 88 88 LYS HA H 88 3.900 4.044 -0.144 1
1 1074 . 4 1 1 A 88 88 LYS CA C 88 58.900 58.855 0.045 1
1 1075 . 4 1 1 A 88 88 LYS CB C 88 31.300 31.950 -0.650 1
1 1079 . 4 1 1 A 88 88 LYS N N 88 124.300 120.697 3.603 1
1 1080 . 4 1 1 A 89 89 ARG H H 89 7.350 7.551 -0.201 1
1 1081 . 4 1 1 A 89 89 ARG HA H 89 4.020 4.230 -0.210 1
1 1088 . 4 1 1 A 89 89 ARG CA C 89 54.600 55.276 -0.676 1
1 1089 . 4 1 1 A 89 89 ARG CB C 89 29.100 29.037 0.063 1
1 1092 . 4 1 1 A 89 89 ARG N N 89 114.300 115.256 -0.956 1
1 1093 . 4 1 1 A 90 90 HIS H H 90 8.030 8.081 -0.051 1
1 1094 . 4 1 1 A 90 90 HIS HA H 90 4.330 4.262 0.068 1
1 1098 . 4 1 1 A 90 90 HIS CA C 90 56.300 56.761 -0.461 1
1 1099 . 4 1 1 A 90 90 HIS CB C 90 25.200 28.055 -2.855 1
1 1101 . 4 1 1 A 90 90 HIS N N 90 113.200 117.934 -4.734 1
1 1102 . 4 1 1 A 91 91 ILE H H 91 8.370 8.134 0.236 1
1 1103 . 4 1 1 A 91 91 ILE HA H 91 3.830 4.038 -0.208 1
1 1113 . 4 1 1 A 91 91 ILE CA C 91 63.600 62.392 1.208 1
1 1114 . 4 1 1 A 91 91 ILE CB C 91 39.300 39.955 -0.655 1
1 1118 . 4 1 1 A 91 91 ILE N N 91 118.400 117.565 0.835 1
1 1119 . 4 1 1 A 92 92 ILE H H 92 6.860 7.700 -0.840 1
1 1120 . 4 1 1 A 92 92 ILE HA H 92 4.570 4.621 -0.051 1
1 1130 . 4 1 1 A 92 92 ILE CA C 92 58.800 58.624 0.176 1
1 1131 . 4 1 1 A 92 92 ILE CB C 92 42.700 40.629 2.071 1
1 1135 . 4 1 1 A 92 92 ILE N N 92 108.600 118.538 -9.938 1
1 1136 . 4 1 1 A 93 93 GLU H H 93 8.690 9.159 -0.469 1
1 1137 . 4 1 1 A 93 93 GLU HA H 93 4.470 4.495 -0.025 1
1 1142 . 4 1 1 A 93 93 GLU CA C 93 56.400 56.241 0.159 1
1 1143 . 4 1 1 A 93 93 GLU CB C 93 31.200 32.066 -0.866 1
1 1145 . 4 1 1 A 93 93 GLU N N 93 116.800 122.555 -5.755 1
1 1146 . 4 1 1 A 94 94 TYR H H 94 7.420 7.726 -0.306 1
1 1147 . 4 1 1 A 94 94 TYR HA H 94 4.710 5.066 -0.356 1
1 1154 . 4 1 1 A 94 94 TYR CA C 94 55.800 56.954 -1.154 1
1 1155 . 4 1 1 A 94 94 TYR CB C 94 40.600 40.755 -0.155 1
1 1158 . 4 1 1 A 94 94 TYR N N 94 117.900 117.927 -0.027 1
1 1159 . 4 1 1 A 95 95 ASN H H 95 8.960 8.597 0.363 1
1 1160 . 4 1 1 A 95 95 ASN HA H 95 4.550 5.123 -0.573 1
1 1165 . 4 1 1 A 95 95 ASN CA C 95 49.700 49.559 0.141 1
1 1166 . 4 1 1 A 95 95 ASN CB C 95 39.200 39.153 0.047 1
1 1167 . 4 1 1 A 95 95 ASN N N 95 122.500 123.259 -0.759 1
1 1169 . 4 1 1 A 96 96 PRO HA H 96 4.300 4.336 -0.036 1
1 1176 . 4 1 1 A 96 96 PRO CA C 96 64.000 64.784 -0.784 1
1 1177 . 4 1 1 A 96 96 PRO CB C 96 31.100 31.662 -0.562 1
1 1180 . 4 1 1 A 97 97 ALA H H 97 8.090 7.898 0.192 1
1 1181 . 4 1 1 A 97 97 ALA HA H 97 4.540 4.440 0.100 1
1 1185 . 4 1 1 A 97 97 ALA CA C 97 51.200 54.236 -3.036 1
1 1186 . 4 1 1 A 97 97 ALA CB C 97 18.900 19.117 -0.217 1
1 1187 . 4 1 1 A 97 97 ALA N N 97 118.400 119.808 -1.408 1
1 1188 . 4 1 1 A 98 98 ALA H H 98 7.330 7.920 -0.590 1
1 1189 . 4 1 1 A 98 98 ALA HA H 98 3.990 4.268 -0.278 1
1 1193 . 4 1 1 A 98 98 ALA CA C 98 54.700 53.614 1.086 1
1 1194 . 4 1 1 A 98 98 ALA CB C 98 18.900 18.659 0.241 1
1 1195 . 4 1 1 A 98 98 ALA N N 98 120.500 119.527 0.973 1
1 1196 . 4 1 1 A 99 99 ALA H H 99 8.020 7.694 0.326 1
1 1197 . 4 1 1 A 99 99 ALA HA H 99 4.180 4.171 0.009 1
1 1201 . 4 1 1 A 99 99 ALA CA C 99 52.500 52.863 -0.363 1
1 1202 . 4 1 1 A 99 99 ALA CB C 99 18.200 19.178 -0.978 1
1 1203 . 4 1 1 A 99 99 ALA N N 99 117.400 119.676 -2.276 1
1 1204 . 4 1 1 A 100 100 PHE H H 100 7.320 7.517 -0.197 1
1 1205 . 4 1 1 A 100 100 PHE HA H 100 4.360 4.912 -0.552 1
1 1210 . 4 1 1 A 100 100 PHE CA C 100 57.700 56.628 1.072 1
1 1211 . 4 1 1 A 100 100 PHE CB C 100 40.500 42.845 -2.345 1
1 1213 . 4 1 1 A 100 100 PHE N N 100 117.400 116.611 0.789 1
1 1214 . 4 1 1 A 101 101 ASP H H 101 8.520 8.854 -0.334 1
1 1215 . 4 1 1 A 101 101 ASP HA H 101 4.910 5.347 -0.437 1
1 1218 . 4 1 1 A 101 101 ASP CA C 101 51.400 51.976 -0.576 1
1 1219 . 4 1 1 A 101 101 ASP CB C 101 41.400 42.558 -1.158 1
1 1220 . 4 1 1 A 101 101 ASP N N 101 122.600 120.568 2.032 1
1 1221 . 4 1 1 A 102 102 PRO HA H 102 4.350 4.437 -0.087 1
1 1228 . 4 1 1 A 102 102 PRO CA C 102 63.400 63.783 -0.383 1
1 1229 . 4 1 1 A 102 102 PRO CB C 102 31.900 32.047 -0.147 1
1 1232 . 4 1 1 A 103 103 GLY H H 103 8.440 8.119 0.321 1
1 1233 . 4 1 1 A 103 103 GLY HA2 H 103 3.890 3.933 -0.043 1
1 1234 . 4 1 1 A 103 103 GLY HA3 H 103 3.860 3.940 -0.080 1
1 1235 . 4 1 1 A 103 103 GLY CA C 103 45.100 46.296 -1.196 1
1 1236 . 4 1 1 A 103 103 GLY N N 103 108.300 109.826 -1.526 1
1 1237 . 4 1 1 A 104 104 ASP H H 104 8.100 7.818 0.282 1
1 1238 . 4 1 1 A 104 104 ASP HA H 104 4.620 4.838 -0.218 1
1 1241 . 4 1 1 A 104 104 ASP CA C 104 53.900 52.756 1.144 1
1 1242 . 4 1 1 A 104 104 ASP CB C 104 40.700 40.832 -0.132 1
1 1243 . 4 1 1 A 104 104 ASP N N 104 120.100 120.571 -0.471 1
1 1244 . 4 1 1 A 105 105 ALA H H 105 8.360 8.227 0.133 1
1 1245 . 4 1 1 A 105 105 ALA HA H 105 4.270 4.646 -0.376 1
1 1249 . 4 1 1 A 105 105 ALA CA C 105 52.900 51.304 1.596 1
1 1250 . 4 1 1 A 105 105 ALA CB C 105 18.800 19.889 -1.089 1
1 1251 . 4 1 1 A 105 105 ALA N N 105 124.600 127.609 -3.009 1
1 1252 . 4 1 1 A 106 106 GLY H H 106 8.470 8.316 0.154 1
1 1253 . 4 1 1 A 106 106 GLY HA2 H 106 3.930 4.056 -0.126 1
1 1254 . 4 1 1 A 106 106 GLY HA3 H 106 3.910 4.060 -0.150 1
1 1255 . 4 1 1 A 106 106 GLY CA C 106 45.400 45.283 0.117 1
1 1256 . 4 1 1 A 106 106 GLY N N 106 107.500 107.254 0.246 1
1 1257 . 4 1 1 A 107 107 GLY H H 107 8.170 8.709 -0.539 1
1 1258 . 4 1 1 A 107 107 GLY HA2 H 107 3.950 3.951 -0.001 1
1 1259 . 4 1 1 A 107 107 GLY HA3 H 107 3.940 3.956 -0.016 1
1 1260 . 4 1 1 A 107 107 GLY CA C 107 45.300 45.293 0.007 1
1 1261 . 4 1 1 A 107 107 GLY N N 107 108.600 109.659 -1.059 1
1 1262 . 4 1 1 A 108 108 LYS H H 108 8.160 7.485 0.675 1
1 1263 . 4 1 1 A 108 108 LYS HA H 108 4.260 4.497 -0.237 1
1 1272 . 4 1 1 A 108 108 LYS CA C 108 56.500 56.354 0.146 1
1 1273 . 4 1 1 A 108 108 LYS CB C 108 32.800 32.681 0.119 1
1 1277 . 4 1 1 A 108 108 LYS N N 108 120.500 121.819 -1.319 1
1 1278 . 4 1 1 A 109 109 LEU H H 109 8.220 8.365 -0.145 1
1 1279 . 4 1 1 A 109 109 LEU HA H 109 4.260 4.663 -0.403 1
1 1289 . 4 1 1 A 109 109 LEU CA C 109 55.000 53.992 1.008 1
1 1290 . 4 1 1 A 109 109 LEU CB C 109 41.900 43.665 -1.765 1
1 1294 . 4 1 1 A 109 109 LEU N N 109 122.200 128.584 -6.384 1
1 1295 . 4 1 1 A 110 110 GLU H H 110 8.160 7.701 0.459 1
1 1296 . 4 1 1 A 110 110 GLU HA H 110 4.190 4.171 0.019 1
1 1301 . 4 1 1 A 110 110 GLU CA C 110 56.000 57.327 -1.327 1
1 1302 . 4 1 1 A 110 110 GLU CB C 110 29.900 30.094 -0.194 1
1 1304 . 4 1 1 A 110 110 GLU N N 110 121.000 121.202 -0.202 1
1 1305 . 4 1 1 A 111 111 HIS H H 111 8.460 8.367 0.093 1
1 1306 . 4 1 1 A 111 111 HIS HA H 111 4.630 5.491 -0.861 1
1 1309 . 4 1 1 A 111 111 HIS CA C 111 54.900 54.164 0.736 1
1 1310 . 4 1 1 A 111 111 HIS CB C 111 28.700 31.383 -2.683 1
1 1311 . 4 1 1 A 111 111 HIS N N 111 118.900 123.140 -4.240 1
1 1312 . 4 1 1 A 112 112 HIS H H 112 8.540 8.968 -0.428 1
1 1313 . 4 1 1 A 112 112 HIS HA H 112 4.640 4.147 0.493 1
1 1316 . 4 1 1 A 112 112 HIS CA C 112 55.100 59.751 -4.651 1
1 1317 . 4 1 1 A 112 112 HIS CB C 112 28.900 30.638 -1.738 1
1 1318 . 4 1 1 A 112 112 HIS N N 112 119.100 122.237 -3.137 1
1 1319 . 4 1 1 A 113 113 HIS H H 113 8.630 8.004 0.626 1
1 1320 . 4 1 1 A 113 113 HIS HA H 113 4.670 4.799 -0.129 1
1 1323 . 4 1 1 A 113 113 HIS CA C 113 55.200 55.612 -0.412 1
1 1324 . 4 1 1 A 113 113 HIS CB C 113 28.900 32.782 -3.882 1
1 1325 . 4 1 1 A 113 113 HIS N N 113 119.400 116.282 3.118 1
1 1326 . 4 1 1 A 114 114 HIS H H 114 8.670 8.123 0.547 1
1 1327 . 4 1 1 A 114 114 HIS HA H 114 4.670 4.270 0.400 1
1 1330 . 4 1 1 A 114 114 HIS CA C 114 55.200 56.451 -1.251 1
1 1331 . 4 1 1 A 114 114 HIS CB C 114 29.100 29.803 -0.703 1
1 1332 . 4 1 1 A 114 114 HIS N N 114 120.400 125.183 -4.783 1
1 1333 . 4 1 1 A 115 115 HIS H H 115 8.560 8.344 0.216 1
1 1334 . 4 1 1 A 115 115 HIS HA H 115 4.660 5.295 -0.635 1
1 1337 . 4 1 1 A 115 115 HIS CA C 115 55.300 54.301 0.999 1
1 1338 . 4 1 1 A 115 115 HIS CB C 115 29.300 31.956 -2.656 1
1 1339 . 4 1 1 A 115 115 HIS N N 115 120.600 122.914 -2.314 1
1 5 . 5 1 1 A 2 2 ALA H H 2 8.190 7.581 0.609 1
1 6 . 5 1 1 A 2 2 ALA HA H 2 4.510 4.417 0.093 1
1 10 . 5 1 1 A 2 2 ALA CA C 2 51.900 51.276 0.624 1
1 11 . 5 1 1 A 2 2 ALA CB C 2 19.500 18.787 0.713 1
1 12 . 5 1 1 A 2 2 ALA N N 2 124.100 122.001 2.099 1
1 13 . 5 1 1 A 3 3 GLU H H 3 8.740 8.073 0.667 1
1 14 . 5 1 1 A 3 3 GLU HA H 3 4.380 4.269 0.111 1
1 19 . 5 1 1 A 3 3 GLU CA C 3 56.000 58.064 -2.064 1
1 20 . 5 1 1 A 3 3 GLU CB C 3 29.900 29.001 0.899 1
1 22 . 5 1 1 A 3 3 GLU N N 3 120.700 118.636 2.064 1
1 23 . 5 1 1 A 4 4 LYS H H 4 8.580 8.736 -0.156 1
1 24 . 5 1 1 A 4 4 LYS HA H 4 4.280 4.070 0.210 1
1 33 . 5 1 1 A 4 4 LYS CA C 4 56.600 58.596 -1.996 1
1 34 . 5 1 1 A 4 4 LYS CB C 4 32.600 31.321 1.279 1
1 38 . 5 1 1 A 4 4 LYS N N 4 122.500 119.174 3.326 1
1 39 . 5 1 1 A 5 5 ASN H H 5 8.560 7.346 1.214 1
1 40 . 5 1 1 A 5 5 ASN HA H 5 4.700 5.055 -0.355 1
1 45 . 5 1 1 A 5 5 ASN CA C 5 53.200 54.695 -1.495 1
1 46 . 5 1 1 A 5 5 ASN CB C 5 38.900 40.459 -1.559 1
1 47 . 5 1 1 A 5 5 ASN N N 5 119.500 117.094 2.406 1
1 49 . 5 1 1 A 6 6 ALA H H 6 8.210 7.718 0.492 1
1 50 . 5 1 1 A 6 6 ALA HA H 6 4.520 4.531 -0.011 1
1 54 . 5 1 1 A 6 6 ALA CA C 6 51.800 51.489 0.311 1
1 55 . 5 1 1 A 6 6 ALA CB C 6 19.600 22.558 -2.958 1
1 56 . 5 1 1 A 6 6 ALA N N 6 124.100 118.076 6.024 1
1 57 . 5 1 1 A 7 7 TYR H H 7 8.740 8.708 0.032 1
1 58 . 5 1 1 A 7 7 TYR HA H 7 4.700 4.728 -0.028 1
1 65 . 5 1 1 A 7 7 TYR CA C 7 58.900 57.299 1.601 1
1 66 . 5 1 1 A 7 7 TYR CB C 7 40.300 37.778 2.522 1
1 69 . 5 1 1 A 7 7 TYR N N 7 121.400 118.607 2.793 1
1 70 . 5 1 1 A 8 8 THR H H 8 8.170 8.225 -0.055 1
1 71 . 5 1 1 A 8 8 THR HA H 8 5.220 4.359 0.861 1
1 76 . 5 1 1 A 8 8 THR CA C 8 59.800 62.865 -3.065 1
1 77 . 5 1 1 A 8 8 THR CB C 8 71.600 69.260 2.340 1
1 79 . 5 1 1 A 8 8 THR N N 8 113.700 122.296 -8.596 1
1 80 . 5 1 1 A 9 9 VAL H H 9 8.990 8.684 0.306 1
1 81 . 5 1 1 A 9 9 VAL HA H 9 3.370 3.887 -0.517 1
1 89 . 5 1 1 A 9 9 VAL CA C 9 66.700 65.313 1.387 1
1 90 . 5 1 1 A 9 9 VAL CB C 9 30.200 31.683 -1.483 1
1 93 . 5 1 1 A 9 9 VAL N N 9 121.400 126.472 -5.072 1
1 94 . 5 1 1 A 10 10 ALA H H 10 9.340 8.126 1.214 1
1 95 . 5 1 1 A 10 10 ALA HA H 10 3.720 3.936 -0.216 1
1 99 . 5 1 1 A 10 10 ALA CA C 10 55.800 55.289 0.511 1
1 100 . 5 1 1 A 10 10 ALA CB C 10 18.200 17.957 0.243 1
1 101 . 5 1 1 A 10 10 ALA N N 10 122.000 122.808 -0.808 1
1 102 . 5 1 1 A 11 11 GLN H H 11 7.330 7.580 -0.250 1
1 103 . 5 1 1 A 11 11 GLN HA H 11 4.050 4.152 -0.102 1
1 110 . 5 1 1 A 11 11 GLN CA C 11 58.400 58.594 -0.194 1
1 111 . 5 1 1 A 11 11 GLN CB C 11 28.700 28.663 0.037 1
1 113 . 5 1 1 A 11 11 GLN N N 11 115.300 117.556 -2.256 1
1 115 . 5 1 1 A 12 12 LEU H H 12 8.510 8.677 -0.167 1
1 116 . 5 1 1 A 12 12 LEU HA H 12 4.200 4.182 0.018 1
1 126 . 5 1 1 A 12 12 LEU CA C 12 57.600 58.199 -0.599 1
1 127 . 5 1 1 A 12 12 LEU CB C 12 41.700 41.480 0.220 1
1 131 . 5 1 1 A 12 12 LEU N N 12 121.500 121.726 -0.226 1
1 132 . 5 1 1 A 13 13 ALA H H 13 9.160 8.434 0.726 1
1 133 . 5 1 1 A 13 13 ALA HA H 13 3.990 3.966 0.024 1
1 137 . 5 1 1 A 13 13 ALA CA C 13 55.400 55.225 0.175 1
1 138 . 5 1 1 A 13 13 ALA CB C 13 17.700 17.766 -0.066 1
1 139 . 5 1 1 A 13 13 ALA N N 13 121.000 121.090 -0.090 1
1 140 . 5 1 1 A 14 14 ASP H H 14 7.920 7.916 0.004 1
1 141 . 5 1 1 A 14 14 ASP HA H 14 4.480 4.322 0.158 1
1 144 . 5 1 1 A 14 14 ASP CA C 14 57.200 57.654 -0.454 1
1 145 . 5 1 1 A 14 14 ASP CB C 14 39.500 41.083 -1.583 1
1 146 . 5 1 1 A 14 14 ASP N N 14 117.400 118.737 -1.337 1
1 147 . 5 1 1 A 15 15 GLU H H 15 8.210 8.117 0.093 1
1 148 . 5 1 1 A 15 15 GLU HA H 15 4.110 4.168 -0.058 1
1 153 . 5 1 1 A 15 15 GLU CA C 15 59.800 59.144 0.656 1
1 154 . 5 1 1 A 15 15 GLU CB C 15 30.100 29.236 0.864 1
1 156 . 5 1 1 A 15 15 GLU N N 15 122.500 120.323 2.177 1
1 157 . 5 1 1 A 16 16 TYR H H 16 9.230 8.277 0.953 1
1 158 . 5 1 1 A 16 16 TYR HA H 16 3.180 4.149 -0.969 1
1 165 . 5 1 1 A 16 16 TYR CA C 16 61.100 61.513 -0.413 1
1 166 . 5 1 1 A 16 16 TYR CB C 16 38.300 38.286 0.014 1
1 169 . 5 1 1 A 16 16 TYR N N 16 119.400 121.251 -1.851 1
1 170 . 5 1 1 A 17 17 PHE H H 17 8.700 8.000 0.700 1
1 171 . 5 1 1 A 17 17 PHE HA H 17 3.480 4.119 -0.639 1
1 178 . 5 1 1 A 17 17 PHE CA C 17 61.600 61.727 -0.127 1
1 179 . 5 1 1 A 17 17 PHE CB C 17 39.300 39.007 0.293 1
1 182 . 5 1 1 A 17 17 PHE N N 17 118.400 121.172 -2.772 1
1 183 . 5 1 1 A 18 18 GLU H H 18 8.280 8.062 0.218 1
1 184 . 5 1 1 A 18 18 GLU HA H 18 3.840 3.980 -0.140 1
1 189 . 5 1 1 A 18 18 GLU CA C 18 58.800 59.700 -0.900 1
1 190 . 5 1 1 A 18 18 GLU CB C 18 29.000 29.161 -0.161 1
1 192 . 5 1 1 A 18 18 GLU N N 18 118.500 117.471 1.029 1
1 193 . 5 1 1 A 19 19 ARG H H 19 8.350 7.625 0.725 1
1 194 . 5 1 1 A 19 19 ARG HA H 19 4.200 4.110 0.090 1
1 202 . 5 1 1 A 19 19 ARG CA C 19 57.300 58.391 -1.091 1
1 203 . 5 1 1 A 19 19 ARG CB C 19 30.900 30.704 0.196 1
1 206 . 5 1 1 A 19 19 ARG N N 19 114.300 119.001 -4.701 1
1 208 . 5 1 1 A 20 20 MET H H 20 7.960 7.675 0.285 1
1 209 . 5 1 1 A 20 20 MET HA H 20 4.610 4.243 0.367 1
1 217 . 5 1 1 A 20 20 MET CA C 20 54.100 56.466 -2.366 1
1 218 . 5 1 1 A 20 20 MET CB C 20 31.800 32.896 -1.096 1
1 221 . 5 1 1 A 20 20 MET N N 20 112.400 117.904 -5.504 1
1 222 . 5 1 1 A 21 21 ILE H H 21 6.970 7.170 -0.200 1
1 223 . 5 1 1 A 21 21 ILE HA H 21 4.050 4.159 -0.109 1
1 233 . 5 1 1 A 21 21 ILE CA C 21 59.800 60.034 -0.234 1
1 234 . 5 1 1 A 21 21 ILE CB C 21 35.900 37.356 -1.456 1
1 238 . 5 1 1 A 21 21 ILE N N 21 117.900 115.193 2.707 1
1 239 . 5 1 1 A 22 22 ALA H H 22 7.700 7.364 0.336 1
1 240 . 5 1 1 A 22 22 ALA HA H 22 3.600 4.328 -0.728 1
1 244 . 5 1 1 A 22 22 ALA CA C 22 53.900 50.184 3.716 1
1 245 . 5 1 1 A 22 22 ALA CB C 22 18.000 21.623 -3.623 1
1 246 . 5 1 1 A 22 22 ALA N N 22 123.500 125.296 -1.796 1
1 247 . 5 1 1 A 23 23 GLY H H 23 8.460 8.461 -0.001 1
1 248 . 5 1 1 A 23 23 GLY HA2 H 23 3.960 3.855 0.105 1
1 249 . 5 1 1 A 23 23 GLY HA3 H 23 3.820 4.135 -0.315 1
1 250 . 5 1 1 A 23 23 GLY CA C 23 45.600 45.698 -0.098 1
1 251 . 5 1 1 A 23 23 GLY N N 23 109.600 109.363 0.237 1
1 252 . 5 1 1 A 24 24 ARG H H 24 7.830 8.598 -0.768 1
1 253 . 5 1 1 A 24 24 ARG HA H 24 4.440 4.987 -0.547 1
1 261 . 5 1 1 A 24 24 ARG CA C 24 56.700 55.590 1.110 1
1 262 . 5 1 1 A 24 24 ARG CB C 24 32.400 33.072 -0.672 1
1 265 . 5 1 1 A 24 24 ARG N N 24 118.400 122.361 -3.961 1
1 267 . 5 1 1 A 25 25 TRP H H 25 8.240 8.496 -0.256 1
1 268 . 5 1 1 A 25 25 TRP HA H 25 4.640 4.987 -0.347 1
1 277 . 5 1 1 A 25 25 TRP CA C 25 56.900 56.892 0.008 1
1 278 . 5 1 1 A 25 25 TRP CB C 25 31.400 31.251 0.149 1
1 284 . 5 1 1 A 25 25 TRP N N 25 121.500 124.060 -2.560 1
1 286 . 5 1 1 A 26 26 LYS H H 26 7.890 6.895 0.995 1
1 287 . 5 1 1 A 26 26 LYS HA H 26 3.910 3.529 0.381 1
1 296 . 5 1 1 A 26 26 LYS CA C 26 56.800 56.789 0.011 1
1 297 . 5 1 1 A 26 26 LYS CB C 26 32.200 31.150 1.050 1
1 301 . 5 1 1 A 26 26 LYS N N 26 122.500 115.324 7.176 1
1 302 . 5 1 1 A 27 27 HIS H H 27 7.840 8.060 -0.220 1
1 303 . 5 1 1 A 27 27 HIS HA H 27 5.230 4.236 0.994 1
1 307 . 5 1 1 A 27 27 HIS CA C 27 53.200 56.361 -3.161 1
1 308 . 5 1 1 A 27 27 HIS CB C 27 28.200 27.824 0.376 1
1 310 . 5 1 1 A 27 27 HIS N N 27 112.700 118.510 -5.810 1
1 311 . 5 1 1 A 28 28 PRO HA H 28 4.120 4.798 -0.678 1
1 318 . 5 1 1 A 28 28 PRO CA C 28 65.400 64.889 0.511 1
1 319 . 5 1 1 A 28 28 PRO CB C 28 32.200 32.336 -0.136 1
1 322 . 5 1 1 A 29 29 ASN H H 29 8.840 8.976 -0.136 1
1 323 . 5 1 1 A 29 29 ASN HA H 29 4.470 4.548 -0.078 1
1 328 . 5 1 1 A 29 29 ASN CA C 29 56.100 55.455 0.645 1
1 329 . 5 1 1 A 29 29 ASN CB C 29 37.000 37.038 -0.038 1
1 330 . 5 1 1 A 29 29 ASN N N 29 116.300 115.139 1.161 1
1 332 . 5 1 1 A 30 30 ILE H H 30 7.630 7.915 -0.285 1
1 333 . 5 1 1 A 30 30 ILE HA H 30 3.910 3.651 0.259 1
1 343 . 5 1 1 A 30 30 ILE CA C 30 63.700 65.081 -1.381 1
1 344 . 5 1 1 A 30 30 ILE CB C 30 37.300 38.028 -0.728 1
1 348 . 5 1 1 A 30 30 ILE N N 30 121.500 121.423 0.077 1
1 349 . 5 1 1 A 31 31 VAL H H 31 6.920 8.228 -1.308 1
1 350 . 5 1 1 A 31 31 VAL HA H 31 3.020 3.762 -0.742 1
1 358 . 5 1 1 A 31 31 VAL CA C 31 65.500 64.717 0.783 1
1 359 . 5 1 1 A 31 31 VAL CB C 31 30.900 31.583 -0.683 1
1 362 . 5 1 1 A 31 31 VAL N N 31 119.900 121.438 -1.538 1
1 363 . 5 1 1 A 32 32 ARG H H 32 8.080 8.432 -0.352 1
1 364 . 5 1 1 A 32 32 ARG HA H 32 3.380 3.896 -0.516 1
1 371 . 5 1 1 A 32 32 ARG CA C 32 58.900 59.902 -1.002 1
1 372 . 5 1 1 A 32 32 ARG CB C 32 28.800 29.713 -0.913 1
1 375 . 5 1 1 A 32 32 ARG N N 32 118.900 121.979 -3.079 1
1 376 . 5 1 1 A 33 33 SER H H 33 7.840 8.035 -0.195 1
1 377 . 5 1 1 A 33 33 SER HA H 33 4.130 4.541 -0.411 1
1 380 . 5 1 1 A 33 33 SER CA C 33 61.900 62.239 -0.339 1
1 381 . 5 1 1 A 33 33 SER CB C 33 62.700 62.750 -0.050 1
1 382 . 5 1 1 A 33 33 SER N N 33 113.400 117.233 -3.833 1
1 383 . 5 1 1 A 34 34 ARG H H 34 7.610 7.774 -0.164 1
1 384 . 5 1 1 A 34 34 ARG HA H 34 4.370 4.585 -0.215 1
1 392 . 5 1 1 A 34 34 ARG CA C 34 58.100 58.814 -0.714 1
1 393 . 5 1 1 A 34 34 ARG CB C 34 29.600 29.411 0.189 1
1 396 . 5 1 1 A 34 34 ARG N N 34 119.900 121.478 -1.578 1
1 398 . 5 1 1 A 35 35 ILE H H 35 8.070 7.456 0.614 1
1 399 . 5 1 1 A 35 35 ILE HA H 35 3.470 3.579 -0.109 1
1 409 . 5 1 1 A 35 35 ILE CA C 35 65.800 65.124 0.676 1
1 410 . 5 1 1 A 35 35 ILE CB C 35 38.200 37.702 0.498 1
1 414 . 5 1 1 A 35 35 ILE N N 35 118.600 120.777 -2.177 1
1 415 . 5 1 1 A 36 36 GLU H H 36 8.710 8.853 -0.143 1
1 416 . 5 1 1 A 36 36 GLU HA H 36 3.880 4.124 -0.244 1
1 421 . 5 1 1 A 36 36 GLU CA C 36 58.400 58.271 0.129 1
1 422 . 5 1 1 A 36 36 GLU CB C 36 30.000 28.640 1.360 1
1 424 . 5 1 1 A 36 36 GLU N N 36 116.800 120.247 -3.447 1
1 425 . 5 1 1 A 37 37 LYS H H 37 8.550 7.754 0.796 1
1 426 . 5 1 1 A 37 37 LYS HA H 37 4.300 4.395 -0.095 1
1 435 . 5 1 1 A 37 37 LYS CA C 37 57.300 57.804 -0.504 1
1 436 . 5 1 1 A 37 37 LYS CB C 37 33.000 33.814 -0.814 1
1 440 . 5 1 1 A 37 37 LYS N N 37 114.300 119.423 -5.123 1
1 441 . 5 1 1 A 38 38 ASP H H 38 7.480 7.756 -0.276 1
1 442 . 5 1 1 A 38 38 ASP HA H 38 4.970 4.520 0.450 1
1 445 . 5 1 1 A 38 38 ASP CA C 38 55.300 57.032 -1.732 1
1 446 . 5 1 1 A 38 38 ASP CB C 38 42.700 40.806 1.894 1
1 447 . 5 1 1 A 38 38 ASP N N 38 113.900 119.558 -5.658 1
1 448 . 5 1 1 A 39 39 ILE H H 39 7.540 8.070 -0.530 1
1 449 . 5 1 1 A 39 39 ILE HA H 39 3.940 3.946 -0.006 1
1 459 . 5 1 1 A 39 39 ILE CA C 39 64.700 64.219 0.481 1
1 460 . 5 1 1 A 39 39 ILE CB C 39 39.000 38.676 0.324 1
1 464 . 5 1 1 A 39 39 ILE N N 39 116.800 118.624 -1.824 1
1 465 . 5 1 1 A 40 40 LYS H H 40 8.840 7.580 1.260 1
1 466 . 5 1 1 A 40 40 LYS HA H 40 3.650 4.727 -1.077 1
1 475 . 5 1 1 A 40 40 LYS CA C 40 50.600 53.791 -3.191 1
1 476 . 5 1 1 A 40 40 LYS CB C 40 30.400 32.890 -2.490 1
1 480 . 5 1 1 A 40 40 LYS N N 40 118.400 121.150 -2.750 1
1 481 . 5 1 1 A 41 41 PRO HA H 41 4.280 4.358 -0.078 1
1 488 . 5 1 1 A 41 41 PRO CA C 41 65.700 65.569 0.131 1
1 489 . 5 1 1 A 41 41 PRO CB C 41 30.700 31.765 -1.065 1
1 492 . 5 1 1 A 42 42 ALA H H 42 6.660 8.081 -1.421 1
1 493 . 5 1 1 A 42 42 ALA HA H 42 4.430 4.520 -0.090 1
1 497 . 5 1 1 A 42 42 ALA CA C 42 53.800 53.199 0.601 1
1 498 . 5 1 1 A 42 42 ALA CB C 42 20.800 21.316 -0.516 1
1 499 . 5 1 1 A 42 42 ALA N N 42 115.300 117.795 -2.495 1
1 500 . 5 1 1 A 43 43 ILE H H 43 7.540 7.741 -0.201 1
1 501 . 5 1 1 A 43 43 ILE HA H 43 4.810 4.052 0.758 1
1 511 . 5 1 1 A 43 43 ILE CA C 43 60.600 60.860 -0.260 1
1 512 . 5 1 1 A 43 43 ILE CB C 43 41.200 36.973 4.227 1
1 516 . 5 1 1 A 43 43 ILE N N 43 105.000 114.734 -9.734 1
1 517 . 5 1 1 A 44 44 GLY H H 44 8.500 8.495 0.005 1
1 518 . 5 1 1 A 44 44 GLY HA2 H 44 4.170 3.960 0.210 1
1 519 . 5 1 1 A 44 44 GLY HA3 H 44 3.430 3.963 -0.533 1
1 520 . 5 1 1 A 44 44 GLY CA C 44 47.300 46.191 1.109 1
1 521 . 5 1 1 A 44 44 GLY N N 44 109.600 112.403 -2.803 1
1 522 . 5 1 1 A 45 45 SER H H 45 8.120 8.012 0.108 1
1 523 . 5 1 1 A 45 45 SER HA H 45 4.440 4.692 -0.252 1
1 526 . 5 1 1 A 45 45 SER CA C 45 58.600 58.439 0.161 1
1 527 . 5 1 1 A 45 45 SER CB C 45 63.400 63.599 -0.199 1
1 528 . 5 1 1 A 45 45 SER N N 45 110.400 116.607 -6.207 1
1 529 . 5 1 1 A 46 46 LEU H H 46 7.480 7.619 -0.139 1
1 530 . 5 1 1 A 46 46 LEU HA H 46 4.180 4.504 -0.324 1
1 540 . 5 1 1 A 46 46 LEU CA C 46 54.800 53.618 1.182 1
1 541 . 5 1 1 A 46 46 LEU CB C 46 41.700 42.178 -0.478 1
1 545 . 5 1 1 A 46 46 LEU N N 46 122.600 122.388 0.212 1
1 546 . 5 1 1 A 47 47 LYS H H 47 8.790 7.917 0.873 1
1 547 . 5 1 1 A 47 47 LYS HA H 47 4.460 4.066 0.394 1
1 556 . 5 1 1 A 47 47 LYS CA C 47 56.700 58.401 -1.701 1
1 557 . 5 1 1 A 47 47 LYS CB C 47 31.100 31.122 -0.022 1
1 561 . 5 1 1 A 47 47 LYS N N 47 120.800 117.314 3.486 1
1 562 . 5 1 1 A 48 48 VAL H H 48 8.600 8.575 0.025 1
1 563 . 5 1 1 A 48 48 VAL HA H 48 3.470 3.937 -0.467 1
1 571 . 5 1 1 A 48 48 VAL CA C 48 66.900 66.075 0.825 1
1 572 . 5 1 1 A 48 48 VAL CB C 48 31.000 31.018 -0.018 1
1 575 . 5 1 1 A 48 48 VAL N N 48 123.000 121.191 1.809 1
1 576 . 5 1 1 A 49 49 GLU H H 49 9.360 8.095 1.265 1
1 577 . 5 1 1 A 49 49 GLU HA H 49 4.180 3.803 0.377 1
1 582 . 5 1 1 A 49 49 GLU CA C 49 57.600 58.658 -1.058 1
1 583 . 5 1 1 A 49 49 GLU CB C 49 28.500 29.254 -0.754 1
1 585 . 5 1 1 A 49 49 GLU N N 49 115.300 121.071 -5.771 1
1 586 . 5 1 1 A 50 50 ASP H H 50 7.840 7.714 0.126 1
1 587 . 5 1 1 A 50 50 ASP HA H 50 4.840 4.524 0.316 1
1 590 . 5 1 1 A 50 50 ASP CA C 50 53.800 54.692 -0.892 1
1 591 . 5 1 1 A 50 50 ASP CB C 50 41.400 41.628 -0.228 1
1 592 . 5 1 1 A 50 50 ASP N N 50 118.900 117.059 1.841 1
1 593 . 5 1 1 A 51 51 VAL H H 51 7.150 7.425 -0.275 1
1 594 . 5 1 1 A 51 51 VAL HA H 51 3.950 4.158 -0.208 1
1 602 . 5 1 1 A 51 51 VAL CA C 51 63.700 61.936 1.764 1
1 603 . 5 1 1 A 51 51 VAL CB C 51 30.900 31.020 -0.120 1
1 606 . 5 1 1 A 51 51 VAL N N 51 119.900 121.129 -1.229 1
1 607 . 5 1 1 A 52 52 LYS H H 52 11.840 8.495 3.345 1
1 608 . 5 1 1 A 52 52 LYS HA H 52 4.980 4.294 0.686 1
1 617 . 5 1 1 A 52 52 LYS CA C 52 52.800 54.573 -1.773 1
1 618 . 5 1 1 A 52 52 LYS CB C 52 33.100 31.732 1.368 1
1 622 . 5 1 1 A 52 52 LYS N N 52 133.900 129.920 3.980 1
1 623 . 5 1 1 A 53 53 PRO HA H 53 4.370 4.238 0.132 1
1 630 . 5 1 1 A 53 53 PRO CA C 53 66.600 65.411 1.189 1
1 631 . 5 1 1 A 53 53 PRO CB C 53 31.600 31.865 -0.265 1
1 634 . 5 1 1 A 54 54 ARG H H 54 8.180 8.840 -0.660 1
1 635 . 5 1 1 A 54 54 ARG HA H 54 4.200 4.058 0.142 1
1 643 . 5 1 1 A 54 54 ARG CA C 54 58.300 58.758 -0.458 1
1 644 . 5 1 1 A 54 54 ARG CB C 54 28.700 29.578 -0.878 1
1 647 . 5 1 1 A 54 54 ARG N N 54 113.800 116.711 -2.911 1
1 649 . 5 1 1 A 55 55 HIS H H 55 7.650 7.679 -0.029 1
1 650 . 5 1 1 A 55 55 HIS HA H 55 4.430 4.398 0.032 1
1 655 . 5 1 1 A 55 55 HIS CA C 55 60.500 59.952 0.548 1
1 656 . 5 1 1 A 55 55 HIS CB C 55 31.400 30.996 0.404 1
1 659 . 5 1 1 A 55 55 HIS N N 55 118.400 118.165 0.235 1
1 660 . 5 1 1 A 56 56 ILE H H 56 7.280 7.685 -0.405 1
1 661 . 5 1 1 A 56 56 ILE HA H 56 3.480 3.581 -0.101 1
1 671 . 5 1 1 A 56 56 ILE CA C 56 61.900 65.392 -3.492 1
1 672 . 5 1 1 A 56 56 ILE CB C 56 33.900 37.746 -3.846 1
1 676 . 5 1 1 A 56 56 ILE N N 56 117.400 120.104 -2.704 1
1 677 . 5 1 1 A 57 57 ASP H H 57 8.010 8.426 -0.416 1
1 678 . 5 1 1 A 57 57 ASP HA H 57 4.220 4.401 -0.181 1
1 681 . 5 1 1 A 57 57 ASP CA C 57 57.200 58.147 -0.947 1
1 682 . 5 1 1 A 57 57 ASP CB C 57 40.900 42.439 -1.539 1
1 683 . 5 1 1 A 57 57 ASP N N 57 119.400 121.636 -2.236 1
1 684 . 5 1 1 A 58 58 ASP H H 58 8.000 8.138 -0.138 1
1 685 . 5 1 1 A 58 58 ASP HA H 58 4.380 4.452 -0.072 1
1 688 . 5 1 1 A 58 58 ASP CA C 58 57.600 57.287 0.313 1
1 689 . 5 1 1 A 58 58 ASP CB C 58 39.200 41.462 -2.262 1
1 690 . 5 1 1 A 58 58 ASP N N 58 117.400 120.114 -2.714 1
1 691 . 5 1 1 A 59 59 VAL H H 59 7.800 7.873 -0.073 1
1 692 . 5 1 1 A 59 59 VAL HA H 59 3.620 3.817 -0.197 1
1 700 . 5 1 1 A 59 59 VAL CA C 59 66.200 65.737 0.463 1
1 701 . 5 1 1 A 59 59 VAL CB C 59 31.400 31.399 0.001 1
1 704 . 5 1 1 A 59 59 VAL N N 59 121.200 117.611 3.589 1
1 705 . 5 1 1 A 60 60 LEU H H 60 8.030 8.602 -0.572 1
1 706 . 5 1 1 A 60 60 LEU HA H 60 3.870 3.892 -0.022 1
1 716 . 5 1 1 A 60 60 LEU CA C 60 58.000 58.365 -0.365 1
1 717 . 5 1 1 A 60 60 LEU CB C 60 40.300 41.504 -1.204 1
1 721 . 5 1 1 A 60 60 LEU N N 60 118.900 121.660 -2.760 1
1 722 . 5 1 1 A 61 61 LYS H H 61 8.710 7.933 0.777 1
1 723 . 5 1 1 A 61 61 LYS HA H 61 3.920 3.896 0.024 1
1 732 . 5 1 1 A 61 61 LYS CA C 61 59.600 59.123 0.477 1
1 733 . 5 1 1 A 61 61 LYS CB C 61 32.500 32.297 0.203 1
1 737 . 5 1 1 A 61 61 LYS N N 61 118.300 120.139 -1.839 1
1 738 . 5 1 1 A 62 62 ALA H H 62 7.590 7.603 -0.013 1
1 739 . 5 1 1 A 62 62 ALA HA H 62 4.170 4.036 0.134 1
1 743 . 5 1 1 A 62 62 ALA CA C 62 55.100 55.112 -0.012 1
1 744 . 5 1 1 A 62 62 ALA CB C 62 17.900 18.474 -0.574 1
1 745 . 5 1 1 A 62 62 ALA N N 62 121.000 121.437 -0.437 1
1 746 . 5 1 1 A 63 63 VAL H H 63 8.090 8.308 -0.218 1
1 747 . 5 1 1 A 63 63 VAL HA H 63 3.710 3.855 -0.145 1
1 755 . 5 1 1 A 63 63 VAL CA C 63 65.700 64.793 0.907 1
1 756 . 5 1 1 A 63 63 VAL CB C 63 31.700 31.459 0.241 1
1 759 . 5 1 1 A 63 63 VAL N N 63 118.000 116.508 1.492 1
1 760 . 5 1 1 A 64 64 MET H H 64 8.360 7.967 0.393 1
1 761 . 5 1 1 A 64 64 MET HA H 64 4.110 4.294 -0.184 1
1 769 . 5 1 1 A 64 64 MET CA C 64 57.600 57.948 -0.348 1
1 770 . 5 1 1 A 64 64 MET CB C 64 31.700 31.559 0.141 1
1 773 . 5 1 1 A 64 64 MET N N 64 119.400 120.439 -1.039 1
1 774 . 5 1 1 A 65 65 LYS H H 65 7.660 7.921 -0.261 1
1 775 . 5 1 1 A 65 65 LYS HA H 65 4.170 4.000 0.170 1
1 784 . 5 1 1 A 65 65 LYS CA C 65 58.100 59.457 -1.357 1
1 785 . 5 1 1 A 65 65 LYS CB C 65 32.500 32.543 -0.043 1
1 789 . 5 1 1 A 65 65 LYS N N 65 118.900 120.973 -2.073 1
1 790 . 5 1 1 A 66 66 ARG H H 66 7.600 8.212 -0.612 1
1 791 . 5 1 1 A 66 66 ARG HA H 66 4.430 4.069 0.361 1
1 799 . 5 1 1 A 66 66 ARG CA C 66 56.600 58.370 -1.770 1
1 800 . 5 1 1 A 66 66 ARG CB C 66 30.400 29.912 0.488 1
1 803 . 5 1 1 A 66 66 ARG N N 66 115.800 118.892 -3.092 1
1 805 . 5 1 1 A 67 67 GLY H H 67 7.830 7.962 -0.132 1
1 806 . 5 1 1 A 67 67 GLY HA2 H 67 4.010 3.956 0.054 1
1 807 . 5 1 1 A 67 67 GLY HA3 H 67 3.980 3.956 0.024 1
1 808 . 5 1 1 A 67 67 GLY CA C 67 45.700 44.972 0.728 1
1 809 . 5 1 1 A 67 67 GLY N N 67 107.400 108.610 -1.210 1
1 810 . 5 1 1 A 68 68 ALA H H 68 7.730 8.069 -0.339 1
1 811 . 5 1 1 A 68 68 ALA HA H 68 4.980 4.574 0.406 1
1 815 . 5 1 1 A 68 68 ALA CA C 68 49.700 50.462 -0.762 1
1 816 . 5 1 1 A 68 68 ALA CB C 68 18.900 21.801 -2.901 1
1 817 . 5 1 1 A 68 68 ALA N N 68 122.500 122.917 -0.417 1
1 818 . 5 1 1 A 69 69 PRO HA H 69 4.350 4.218 0.132 1
1 825 . 5 1 1 A 69 69 PRO CA C 69 65.400 64.954 0.446 1
1 826 . 5 1 1 A 69 69 PRO CB C 69 31.700 32.006 -0.306 1
1 829 . 5 1 1 A 70 70 SER H H 70 8.430 8.371 0.059 1
1 830 . 5 1 1 A 70 70 SER HA H 70 4.250 4.178 0.072 1
1 833 . 5 1 1 A 70 70 SER CA C 70 61.000 61.774 -0.774 1
1 834 . 5 1 1 A 70 70 SER CB C 70 61.500 62.971 -1.471 1
1 835 . 5 1 1 A 70 70 SER N N 70 112.200 113.705 -1.505 1
1 836 . 5 1 1 A 71 71 ILE H H 71 7.430 7.877 -0.447 1
1 837 . 5 1 1 A 71 71 ILE HA H 71 3.980 3.964 0.016 1
1 847 . 5 1 1 A 71 71 ILE CA C 71 63.100 64.217 -1.117 1
1 848 . 5 1 1 A 71 71 ILE CB C 71 36.700 37.541 -0.841 1
1 852 . 5 1 1 A 71 71 ILE N N 71 122.000 118.331 3.669 1
1 853 . 5 1 1 A 72 72 ALA H H 72 7.780 8.150 -0.370 1
1 854 . 5 1 1 A 72 72 ALA HA H 72 3.910 4.030 -0.120 1
1 858 . 5 1 1 A 72 72 ALA CA C 72 55.800 55.298 0.502 1
1 859 . 5 1 1 A 72 72 ALA CB C 72 17.900 18.034 -0.134 1
1 860 . 5 1 1 A 72 72 ALA N N 72 126.100 124.189 1.911 1
1 861 . 5 1 1 A 73 73 ASN H H 73 8.180 8.395 -0.215 1
1 862 . 5 1 1 A 73 73 ASN HA H 73 4.410 4.435 -0.025 1
1 867 . 5 1 1 A 73 73 ASN CA C 73 55.900 56.419 -0.519 1
1 868 . 5 1 1 A 73 73 ASN CB C 73 37.800 37.405 0.395 1
1 869 . 5 1 1 A 73 73 ASN N N 73 116.700 117.837 -1.137 1
1 871 . 5 1 1 A 74 74 ASP H H 74 8.120 8.057 0.063 1
1 872 . 5 1 1 A 74 74 ASP HA H 74 4.410 4.402 0.008 1
1 875 . 5 1 1 A 74 74 ASP CA C 74 57.500 56.997 0.503 1
1 876 . 5 1 1 A 74 74 ASP CB C 74 41.400 41.147 0.253 1
1 877 . 5 1 1 A 74 74 ASP N N 74 120.800 119.370 1.430 1
1 878 . 5 1 1 A 75 75 THR H H 75 8.360 8.259 0.101 1
1 879 . 5 1 1 A 75 75 THR HA H 75 3.750 4.211 -0.461 1
1 884 . 5 1 1 A 75 75 THR CA C 75 68.800 67.017 1.783 1
1 885 . 5 1 1 A 75 75 THR CB C 75 67.700 68.006 -0.306 1
1 887 . 5 1 1 A 75 75 THR N N 75 116.300 116.436 -0.136 1
1 888 . 5 1 1 A 76 76 LEU H H 76 8.160 8.137 0.023 1
1 889 . 5 1 1 A 76 76 LEU HA H 76 3.980 4.051 -0.071 1
1 899 . 5 1 1 A 76 76 LEU CA C 76 58.000 57.763 0.237 1
1 900 . 5 1 1 A 76 76 LEU CB C 76 40.500 40.822 -0.322 1
1 904 . 5 1 1 A 76 76 LEU N N 76 121.000 121.887 -0.887 1
1 905 . 5 1 1 A 77 77 ARG H H 77 7.810 8.093 -0.283 1
1 906 . 5 1 1 A 77 77 ARG HA H 77 3.790 3.903 -0.113 1
1 914 . 5 1 1 A 77 77 ARG CA C 77 60.000 59.737 0.263 1
1 915 . 5 1 1 A 77 77 ARG CB C 77 29.400 29.637 -0.237 1
1 918 . 5 1 1 A 77 77 ARG N N 77 118.400 119.063 -0.663 1
1 920 . 5 1 1 A 78 78 TRP H H 78 7.870 7.790 0.080 1
1 921 . 5 1 1 A 78 78 TRP HA H 78 4.490 4.425 0.065 1
1 930 . 5 1 1 A 78 78 TRP CA C 78 60.200 59.334 0.866 1
1 931 . 5 1 1 A 78 78 TRP CB C 78 28.700 29.501 -0.801 1
1 937 . 5 1 1 A 78 78 TRP N N 78 118.300 121.212 -2.912 1
1 939 . 5 1 1 A 79 79 LEU H H 79 8.630 8.811 -0.181 1
1 940 . 5 1 1 A 79 79 LEU HA H 79 3.940 3.529 0.411 1
1 950 . 5 1 1 A 79 79 LEU CA C 79 58.200 58.025 0.175 1
1 951 . 5 1 1 A 79 79 LEU CB C 79 42.300 41.751 0.549 1
1 955 . 5 1 1 A 79 79 LEU N N 79 120.200 120.376 -0.176 1
1 956 . 5 1 1 A 80 80 LYS H H 80 8.710 8.495 0.215 1
1 957 . 5 1 1 A 80 80 LYS HA H 80 3.880 4.024 -0.144 1
1 966 . 5 1 1 A 80 80 LYS CA C 80 61.300 59.891 1.409 1
1 967 . 5 1 1 A 80 80 LYS CB C 80 32.300 32.643 -0.343 1
1 971 . 5 1 1 A 80 80 LYS N N 80 118.400 119.617 -1.217 1
1 972 . 5 1 1 A 81 81 ARG H H 81 7.800 8.427 -0.627 1
1 973 . 5 1 1 A 81 81 ARG HA H 81 4.030 4.109 -0.079 1
1 981 . 5 1 1 A 81 81 ARG CA C 81 59.700 58.760 0.940 1
1 982 . 5 1 1 A 81 81 ARG CB C 81 30.400 29.962 0.438 1
1 985 . 5 1 1 A 81 81 ARG N N 81 117.400 118.153 -0.753 1
1 987 . 5 1 1 A 82 82 MET H H 82 8.530 7.672 0.858 1
1 988 . 5 1 1 A 82 82 MET HA H 82 3.000 3.503 -0.503 1
1 996 . 5 1 1 A 82 82 MET CA C 82 58.900 57.897 1.003 1
1 997 . 5 1 1 A 82 82 MET CB C 82 32.300 31.651 0.649 1
1 1000 . 5 1 1 A 82 82 MET N N 82 121.400 119.492 1.908 1
1 1001 . 5 1 1 A 83 83 PHE H H 83 8.340 8.361 -0.021 1
1 1002 . 5 1 1 A 83 83 PHE HA H 83 4.340 4.293 0.047 1
1 1010 . 5 1 1 A 83 83 PHE CA C 83 61.900 61.130 0.770 1
1 1011 . 5 1 1 A 83 83 PHE CB C 83 38.800 38.062 0.738 1
1 1015 . 5 1 1 A 83 83 PHE N N 83 116.900 118.570 -1.670 1
1 1016 . 5 1 1 A 84 84 ASN H H 84 8.170 8.720 -0.550 1
1 1017 . 5 1 1 A 84 84 ASN HA H 84 4.670 4.518 0.152 1
1 1022 . 5 1 1 A 84 84 ASN CA C 84 55.800 56.306 -0.506 1
1 1023 . 5 1 1 A 84 84 ASN CB C 84 37.500 39.145 -1.645 1
1 1024 . 5 1 1 A 84 84 ASN N N 84 120.500 118.333 2.167 1
1 1026 . 5 1 1 A 85 85 TYR H H 85 7.910 8.116 -0.206 1
1 1027 . 5 1 1 A 85 85 TYR HA H 85 4.320 4.255 0.065 1
1 1034 . 5 1 1 A 85 85 TYR CA C 85 61.100 61.876 -0.776 1
1 1035 . 5 1 1 A 85 85 TYR CB C 85 37.900 38.755 -0.855 1
1 1038 . 5 1 1 A 85 85 TYR N N 85 124.000 120.948 3.052 1
1 1039 . 5 1 1 A 86 86 ALA H H 86 7.780 7.945 -0.165 1
1 1040 . 5 1 1 A 86 86 ALA HA H 86 3.670 4.046 -0.376 1
1 1044 . 5 1 1 A 86 86 ALA CA C 86 54.800 55.049 -0.249 1
1 1045 . 5 1 1 A 86 86 ALA CB C 86 18.100 18.503 -0.403 1
1 1046 . 5 1 1 A 86 86 ALA N N 86 120.500 121.459 -0.959 1
1 1047 . 5 1 1 A 87 87 ILE H H 87 7.880 8.107 -0.227 1
1 1048 . 5 1 1 A 87 87 ILE HA H 87 4.240 3.887 0.353 1
1 1058 . 5 1 1 A 87 87 ILE CA C 87 63.900 65.359 -1.459 1
1 1059 . 5 1 1 A 87 87 ILE CB C 87 37.900 37.664 0.236 1
1 1063 . 5 1 1 A 87 87 ILE N N 87 120.400 118.976 1.424 1
1 1064 . 5 1 1 A 88 88 LYS H H 88 7.880 8.408 -0.528 1
1 1065 . 5 1 1 A 88 88 LYS HA H 88 3.900 3.981 -0.081 1
1 1074 . 5 1 1 A 88 88 LYS CA C 88 58.900 59.103 -0.203 1
1 1075 . 5 1 1 A 88 88 LYS CB C 88 31.300 32.121 -0.821 1
1 1079 . 5 1 1 A 88 88 LYS N N 88 124.300 121.735 2.565 1
1 1080 . 5 1 1 A 89 89 ARG H H 89 7.350 7.529 -0.179 1
1 1081 . 5 1 1 A 89 89 ARG HA H 89 4.020 4.341 -0.321 1
1 1088 . 5 1 1 A 89 89 ARG CA C 89 54.600 57.013 -2.413 1
1 1089 . 5 1 1 A 89 89 ARG CB C 89 29.100 30.797 -1.697 1
1 1092 . 5 1 1 A 89 89 ARG N N 89 114.300 119.467 -5.167 1
1 1093 . 5 1 1 A 90 90 HIS H H 90 8.030 7.928 0.102 1
1 1094 . 5 1 1 A 90 90 HIS HA H 90 4.330 4.209 0.121 1
1 1098 . 5 1 1 A 90 90 HIS CA C 90 56.300 56.552 -0.252 1
1 1099 . 5 1 1 A 90 90 HIS CB C 90 25.200 28.828 -3.628 1
1 1101 . 5 1 1 A 90 90 HIS N N 90 113.200 117.177 -3.977 1
1 1102 . 5 1 1 A 91 91 ILE H H 91 8.370 8.598 -0.228 1
1 1103 . 5 1 1 A 91 91 ILE HA H 91 3.830 3.957 -0.127 1
1 1113 . 5 1 1 A 91 91 ILE CA C 91 63.600 62.743 0.857 1
1 1114 . 5 1 1 A 91 91 ILE CB C 91 39.300 38.746 0.554 1
1 1118 . 5 1 1 A 91 91 ILE N N 91 118.400 116.935 1.465 1
1 1119 . 5 1 1 A 92 92 ILE H H 92 6.860 7.645 -0.785 1
1 1120 . 5 1 1 A 92 92 ILE HA H 92 4.570 4.728 -0.158 1
1 1130 . 5 1 1 A 92 92 ILE CA C 92 58.800 58.380 0.420 1
1 1131 . 5 1 1 A 92 92 ILE CB C 92 42.700 41.774 0.926 1
1 1135 . 5 1 1 A 92 92 ILE N N 92 108.600 116.319 -7.719 1
1 1136 . 5 1 1 A 93 93 GLU H H 93 8.690 9.061 -0.371 1
1 1137 . 5 1 1 A 93 93 GLU HA H 93 4.470 4.716 -0.246 1
1 1142 . 5 1 1 A 93 93 GLU CA C 93 56.400 56.080 0.320 1
1 1143 . 5 1 1 A 93 93 GLU CB C 93 31.200 30.158 1.042 1
1 1145 . 5 1 1 A 93 93 GLU N N 93 116.800 121.123 -4.323 1
1 1146 . 5 1 1 A 94 94 TYR H H 94 7.420 7.826 -0.406 1
1 1147 . 5 1 1 A 94 94 TYR HA H 94 4.710 4.260 0.450 1
1 1154 . 5 1 1 A 94 94 TYR CA C 94 55.800 60.478 -4.678 1
1 1155 . 5 1 1 A 94 94 TYR CB C 94 40.600 38.813 1.787 1
1 1158 . 5 1 1 A 94 94 TYR N N 94 117.900 119.561 -1.661 1
1 1159 . 5 1 1 A 95 95 ASN H H 95 8.960 8.091 0.869 1
1 1160 . 5 1 1 A 95 95 ASN HA H 95 4.550 4.024 0.526 1
1 1165 . 5 1 1 A 95 95 ASN CA C 95 49.700 53.594 -3.894 1
1 1166 . 5 1 1 A 95 95 ASN CB C 95 39.200 36.755 2.445 1
1 1167 . 5 1 1 A 95 95 ASN N N 95 122.500 118.107 4.393 1
1 1169 . 5 1 1 A 96 96 PRO HA H 96 4.300 4.291 0.009 1
1 1176 . 5 1 1 A 96 96 PRO CA C 96 64.000 64.151 -0.151 1
1 1177 . 5 1 1 A 96 96 PRO CB C 96 31.100 31.606 -0.506 1
1 1180 . 5 1 1 A 97 97 ALA H H 97 8.090 8.124 -0.034 1
1 1181 . 5 1 1 A 97 97 ALA HA H 97 4.540 4.392 0.148 1
1 1185 . 5 1 1 A 97 97 ALA CA C 97 51.200 53.758 -2.558 1
1 1186 . 5 1 1 A 97 97 ALA CB C 97 18.900 18.619 0.281 1
1 1187 . 5 1 1 A 97 97 ALA N N 97 118.400 120.377 -1.977 1
1 1188 . 5 1 1 A 98 98 ALA H H 98 7.330 7.782 -0.452 1
1 1189 . 5 1 1 A 98 98 ALA HA H 98 3.990 4.127 -0.137 1
1 1193 . 5 1 1 A 98 98 ALA CA C 98 54.700 54.392 0.308 1
1 1194 . 5 1 1 A 98 98 ALA CB C 98 18.900 18.509 0.391 1
1 1195 . 5 1 1 A 98 98 ALA N N 98 120.500 121.339 -0.839 1
1 1196 . 5 1 1 A 99 99 ALA H H 99 8.020 7.429 0.591 1
1 1197 . 5 1 1 A 99 99 ALA HA H 99 4.180 3.928 0.252 1
1 1201 . 5 1 1 A 99 99 ALA CA C 99 52.500 54.811 -2.311 1
1 1202 . 5 1 1 A 99 99 ALA CB C 99 18.200 18.841 -0.641 1
1 1203 . 5 1 1 A 99 99 ALA N N 99 117.400 120.136 -2.736 1
1 1204 . 5 1 1 A 100 100 PHE H H 100 7.320 7.510 -0.190 1
1 1205 . 5 1 1 A 100 100 PHE HA H 100 4.360 4.922 -0.562 1
1 1210 . 5 1 1 A 100 100 PHE CA C 100 57.700 56.276 1.424 1
1 1211 . 5 1 1 A 100 100 PHE CB C 100 40.500 38.953 1.547 1
1 1213 . 5 1 1 A 100 100 PHE N N 100 117.400 113.627 3.773 1
1 1214 . 5 1 1 A 101 101 ASP H H 101 8.520 8.291 0.229 1
1 1215 . 5 1 1 A 101 101 ASP HA H 101 4.910 4.937 -0.027 1
1 1218 . 5 1 1 A 101 101 ASP CA C 101 51.400 51.045 0.355 1
1 1219 . 5 1 1 A 101 101 ASP CB C 101 41.400 41.922 -0.522 1
1 1220 . 5 1 1 A 101 101 ASP N N 101 122.600 124.608 -2.008 1
1 1221 . 5 1 1 A 102 102 PRO HA H 102 4.350 4.413 -0.063 1
1 1228 . 5 1 1 A 102 102 PRO CA C 102 63.400 64.987 -1.587 1
1 1229 . 5 1 1 A 102 102 PRO CB C 102 31.900 31.929 -0.029 1
1 1232 . 5 1 1 A 103 103 GLY H H 103 8.440 8.805 -0.365 1
1 1233 . 5 1 1 A 103 103 GLY HA2 H 103 3.890 3.898 -0.008 1
1 1234 . 5 1 1 A 103 103 GLY HA3 H 103 3.860 3.899 -0.039 1
1 1235 . 5 1 1 A 103 103 GLY CA C 103 45.100 45.691 -0.591 1
1 1236 . 5 1 1 A 103 103 GLY N N 103 108.300 109.298 -0.998 1
1 1237 . 5 1 1 A 104 104 ASP H H 104 8.100 8.010 0.090 1
1 1238 . 5 1 1 A 104 104 ASP HA H 104 4.620 4.780 -0.160 1
1 1241 . 5 1 1 A 104 104 ASP CA C 104 53.900 53.400 0.500 1
1 1242 . 5 1 1 A 104 104 ASP CB C 104 40.700 41.529 -0.829 1
1 1243 . 5 1 1 A 104 104 ASP N N 104 120.100 120.513 -0.413 1
1 1244 . 5 1 1 A 105 105 ALA H H 105 8.360 8.514 -0.154 1
1 1245 . 5 1 1 A 105 105 ALA HA H 105 4.270 4.378 -0.108 1
1 1249 . 5 1 1 A 105 105 ALA CA C 105 52.900 51.767 1.133 1
1 1250 . 5 1 1 A 105 105 ALA CB C 105 18.800 19.045 -0.245 1
1 1251 . 5 1 1 A 105 105 ALA N N 105 124.600 126.816 -2.216 1
1 1252 . 5 1 1 A 106 106 GLY H H 106 8.470 9.280 -0.810 1
1 1253 . 5 1 1 A 106 106 GLY HA2 H 106 3.930 3.915 0.015 1
1 1254 . 5 1 1 A 106 106 GLY HA3 H 106 3.910 3.939 -0.029 1
1 1255 . 5 1 1 A 106 106 GLY CA C 106 45.400 45.750 -0.350 1
1 1256 . 5 1 1 A 106 106 GLY N N 106 107.500 109.346 -1.846 1
1 1257 . 5 1 1 A 107 107 GLY H H 107 8.170 8.200 -0.030 1
1 1258 . 5 1 1 A 107 107 GLY HA2 H 107 3.950 4.038 -0.088 1
1 1259 . 5 1 1 A 107 107 GLY HA3 H 107 3.940 4.038 -0.098 1
1 1260 . 5 1 1 A 107 107 GLY CA C 107 45.300 45.824 -0.524 1
1 1261 . 5 1 1 A 107 107 GLY N N 107 108.600 106.163 2.437 1
1 1262 . 5 1 1 A 108 108 LYS H H 108 8.160 7.959 0.201 1
1 1263 . 5 1 1 A 108 108 LYS HA H 108 4.260 4.279 -0.019 1
1 1272 . 5 1 1 A 108 108 LYS CA C 108 56.500 56.737 -0.237 1
1 1273 . 5 1 1 A 108 108 LYS CB C 108 32.800 33.767 -0.967 1
1 1277 . 5 1 1 A 108 108 LYS N N 108 120.500 120.013 0.487 1
1 1278 . 5 1 1 A 109 109 LEU H H 109 8.220 8.455 -0.235 1
1 1279 . 5 1 1 A 109 109 LEU HA H 109 4.260 4.766 -0.506 1
1 1289 . 5 1 1 A 109 109 LEU CA C 109 55.000 54.089 0.911 1
1 1290 . 5 1 1 A 109 109 LEU CB C 109 41.900 45.957 -4.057 1
1 1294 . 5 1 1 A 109 109 LEU N N 109 122.200 122.144 0.056 1
1 1295 . 5 1 1 A 110 110 GLU H H 110 8.160 8.834 -0.674 1
1 1296 . 5 1 1 A 110 110 GLU HA H 110 4.190 5.399 -1.209 1
1 1301 . 5 1 1 A 110 110 GLU CA C 110 56.000 54.821 1.179 1
1 1302 . 5 1 1 A 110 110 GLU CB C 110 29.900 32.329 -2.429 1
1 1304 . 5 1 1 A 110 110 GLU N N 110 121.000 124.019 -3.019 1
1 1305 . 5 1 1 A 111 111 HIS H H 111 8.460 9.050 -0.590 1
1 1306 . 5 1 1 A 111 111 HIS HA H 111 4.630 4.755 -0.125 1
1 1309 . 5 1 1 A 111 111 HIS CA C 111 54.900 56.055 -1.155 1
1 1310 . 5 1 1 A 111 111 HIS CB C 111 28.700 33.585 -4.885 1
1 1311 . 5 1 1 A 111 111 HIS N N 111 118.900 122.688 -3.788 1
1 1312 . 5 1 1 A 112 112 HIS H H 112 8.540 8.356 0.184 1
1 1313 . 5 1 1 A 112 112 HIS HA H 112 4.640 4.400 0.240 1
1 1316 . 5 1 1 A 112 112 HIS CA C 112 55.100 57.207 -2.107 1
1 1317 . 5 1 1 A 112 112 HIS CB C 112 28.900 28.615 0.285 1
1 1318 . 5 1 1 A 112 112 HIS N N 112 119.100 124.701 -5.601 1
1 1319 . 5 1 1 A 113 113 HIS H H 113 8.630 8.236 0.394 1
1 1320 . 5 1 1 A 113 113 HIS HA H 113 4.670 4.670 0.000 1
1 1323 . 5 1 1 A 113 113 HIS CA C 113 55.200 56.862 -1.662 1
1 1324 . 5 1 1 A 113 113 HIS CB C 113 28.900 30.985 -2.085 1
1 1325 . 5 1 1 A 113 113 HIS N N 113 119.400 121.723 -2.323 1
1 1326 . 5 1 1 A 114 114 HIS H H 114 8.670 7.934 0.736 1
1 1327 . 5 1 1 A 114 114 HIS HA H 114 4.670 4.431 0.239 1
1 1330 . 5 1 1 A 114 114 HIS CA C 114 55.200 57.557 -2.357 1
1 1331 . 5 1 1 A 114 114 HIS CB C 114 29.100 28.262 0.838 1
1 1332 . 5 1 1 A 114 114 HIS N N 114 120.400 116.436 3.964 1
1 1333 . 5 1 1 A 115 115 HIS H H 115 8.560 8.523 0.037 1
1 1334 . 5 1 1 A 115 115 HIS HA H 115 4.660 4.248 0.412 1
1 1337 . 5 1 1 A 115 115 HIS CA C 115 55.300 58.188 -2.888 1
1 1338 . 5 1 1 A 115 115 HIS CB C 115 29.300 28.471 0.829 1
1 1339 . 5 1 1 A 115 115 HIS N N 115 120.600 117.460 3.140 1
1 5 . 6 1 1 A 2 2 ALA H H 2 8.190 8.240 -0.050 1
1 6 . 6 1 1 A 2 2 ALA HA H 2 4.510 4.414 0.096 1
1 10 . 6 1 1 A 2 2 ALA CA C 2 51.900 54.286 -2.386 1
1 11 . 6 1 1 A 2 2 ALA CB C 2 19.500 18.263 1.237 1
1 12 . 6 1 1 A 2 2 ALA N N 2 124.100 119.805 4.295 1
1 13 . 6 1 1 A 3 3 GLU H H 3 8.740 9.140 -0.400 1
1 14 . 6 1 1 A 3 3 GLU HA H 3 4.380 4.356 0.024 1
1 19 . 6 1 1 A 3 3 GLU CA C 3 56.000 58.526 -2.526 1
1 20 . 6 1 1 A 3 3 GLU CB C 3 29.900 29.593 0.307 1
1 22 . 6 1 1 A 3 3 GLU N N 3 120.700 118.668 2.032 1
1 23 . 6 1 1 A 4 4 LYS H H 4 8.580 8.612 -0.032 1
1 24 . 6 1 1 A 4 4 LYS HA H 4 4.280 4.178 0.102 1
1 33 . 6 1 1 A 4 4 LYS CA C 4 56.600 58.491 -1.891 1
1 34 . 6 1 1 A 4 4 LYS CB C 4 32.600 33.199 -0.599 1
1 38 . 6 1 1 A 4 4 LYS N N 4 122.500 119.373 3.127 1
1 39 . 6 1 1 A 5 5 ASN H H 5 8.560 8.370 0.190 1
1 40 . 6 1 1 A 5 5 ASN HA H 5 4.700 5.141 -0.441 1
1 45 . 6 1 1 A 5 5 ASN CA C 5 53.200 54.668 -1.468 1
1 46 . 6 1 1 A 5 5 ASN CB C 5 38.900 41.451 -2.551 1
1 47 . 6 1 1 A 5 5 ASN N N 5 119.500 115.995 3.505 1
1 49 . 6 1 1 A 6 6 ALA H H 6 8.210 7.709 0.501 1
1 50 . 6 1 1 A 6 6 ALA HA H 6 4.520 4.328 0.192 1
1 54 . 6 1 1 A 6 6 ALA CA C 6 51.800 51.776 0.024 1
1 55 . 6 1 1 A 6 6 ALA CB C 6 19.600 17.847 1.753 1
1 56 . 6 1 1 A 6 6 ALA N N 6 124.100 122.103 1.997 1
1 57 . 6 1 1 A 7 7 TYR H H 7 8.740 8.249 0.491 1
1 58 . 6 1 1 A 7 7 TYR HA H 7 4.700 4.829 -0.129 1
1 65 . 6 1 1 A 7 7 TYR CA C 7 58.900 58.534 0.366 1
1 66 . 6 1 1 A 7 7 TYR CB C 7 40.300 40.665 -0.365 1
1 69 . 6 1 1 A 7 7 TYR N N 7 121.400 121.219 0.181 1
1 70 . 6 1 1 A 8 8 THR H H 8 8.170 8.570 -0.400 1
1 71 . 6 1 1 A 8 8 THR HA H 8 5.220 4.938 0.282 1
1 76 . 6 1 1 A 8 8 THR CA C 8 59.800 60.402 -0.602 1
1 77 . 6 1 1 A 8 8 THR CB C 8 71.600 72.138 -0.538 1
1 79 . 6 1 1 A 8 8 THR N N 8 113.700 116.994 -3.294 1
1 80 . 6 1 1 A 9 9 VAL H H 9 8.990 8.860 0.130 1
1 81 . 6 1 1 A 9 9 VAL HA H 9 3.370 3.968 -0.598 1
1 89 . 6 1 1 A 9 9 VAL CA C 9 66.700 65.000 1.700 1
1 90 . 6 1 1 A 9 9 VAL CB C 9 30.200 31.544 -1.344 1
1 93 . 6 1 1 A 9 9 VAL N N 9 121.400 122.277 -0.877 1
1 94 . 6 1 1 A 10 10 ALA H H 10 9.340 8.278 1.062 1
1 95 . 6 1 1 A 10 10 ALA HA H 10 3.720 4.001 -0.281 1
1 99 . 6 1 1 A 10 10 ALA CA C 10 55.800 55.863 -0.063 1
1 100 . 6 1 1 A 10 10 ALA CB C 10 18.200 18.622 -0.422 1
1 101 . 6 1 1 A 10 10 ALA N N 10 122.000 123.563 -1.563 1
1 102 . 6 1 1 A 11 11 GLN H H 11 7.330 7.631 -0.301 1
1 103 . 6 1 1 A 11 11 GLN HA H 11 4.050 3.975 0.075 1
1 110 . 6 1 1 A 11 11 GLN CA C 11 58.400 58.770 -0.370 1
1 111 . 6 1 1 A 11 11 GLN CB C 11 28.700 28.296 0.404 1
1 113 . 6 1 1 A 11 11 GLN N N 11 115.300 117.881 -2.581 1
1 115 . 6 1 1 A 12 12 LEU H H 12 8.510 8.137 0.373 1
1 116 . 6 1 1 A 12 12 LEU HA H 12 4.200 4.491 -0.291 1
1 126 . 6 1 1 A 12 12 LEU CA C 12 57.600 58.247 -0.647 1
1 127 . 6 1 1 A 12 12 LEU CB C 12 41.700 41.890 -0.190 1
1 131 . 6 1 1 A 12 12 LEU N N 12 121.500 122.149 -0.649 1
1 132 . 6 1 1 A 13 13 ALA H H 13 9.160 8.797 0.363 1
1 133 . 6 1 1 A 13 13 ALA HA H 13 3.990 4.147 -0.157 1
1 137 . 6 1 1 A 13 13 ALA CA C 13 55.400 55.323 0.077 1
1 138 . 6 1 1 A 13 13 ALA CB C 13 17.700 17.979 -0.279 1
1 139 . 6 1 1 A 13 13 ALA N N 13 121.000 121.221 -0.221 1
1 140 . 6 1 1 A 14 14 ASP H H 14 7.920 8.191 -0.271 1
1 141 . 6 1 1 A 14 14 ASP HA H 14 4.480 4.913 -0.433 1
1 144 . 6 1 1 A 14 14 ASP CA C 14 57.200 57.937 -0.737 1
1 145 . 6 1 1 A 14 14 ASP CB C 14 39.500 41.559 -2.059 1
1 146 . 6 1 1 A 14 14 ASP N N 14 117.400 118.512 -1.112 1
1 147 . 6 1 1 A 15 15 GLU H H 15 8.210 7.872 0.338 1
1 148 . 6 1 1 A 15 15 GLU HA H 15 4.110 3.932 0.178 1
1 153 . 6 1 1 A 15 15 GLU CA C 15 59.800 58.785 1.015 1
1 154 . 6 1 1 A 15 15 GLU CB C 15 30.100 29.070 1.030 1
1 156 . 6 1 1 A 15 15 GLU N N 15 122.500 119.962 2.538 1
1 157 . 6 1 1 A 16 16 TYR H H 16 9.230 8.129 1.101 1
1 158 . 6 1 1 A 16 16 TYR HA H 16 3.180 3.772 -0.592 1
1 165 . 6 1 1 A 16 16 TYR CA C 16 61.100 61.258 -0.158 1
1 166 . 6 1 1 A 16 16 TYR CB C 16 38.300 38.207 0.093 1
1 169 . 6 1 1 A 16 16 TYR N N 16 119.400 121.520 -2.120 1
1 170 . 6 1 1 A 17 17 PHE H H 17 8.700 8.525 0.175 1
1 171 . 6 1 1 A 17 17 PHE HA H 17 3.480 4.290 -0.810 1
1 178 . 6 1 1 A 17 17 PHE CA C 17 61.600 59.868 1.732 1
1 179 . 6 1 1 A 17 17 PHE CB C 17 39.300 37.939 1.361 1
1 182 . 6 1 1 A 17 17 PHE N N 17 118.400 117.498 0.902 1
1 183 . 6 1 1 A 18 18 GLU H H 18 8.280 7.615 0.665 1
1 184 . 6 1 1 A 18 18 GLU HA H 18 3.840 3.335 0.505 1
1 189 . 6 1 1 A 18 18 GLU CA C 18 58.800 58.254 0.546 1
1 190 . 6 1 1 A 18 18 GLU CB C 18 29.000 27.732 1.268 1
1 192 . 6 1 1 A 18 18 GLU N N 18 118.500 118.860 -0.360 1
1 193 . 6 1 1 A 19 19 ARG H H 19 8.350 7.266 1.084 1
1 194 . 6 1 1 A 19 19 ARG HA H 19 4.200 4.125 0.075 1
1 202 . 6 1 1 A 19 19 ARG CA C 19 57.300 57.491 -0.191 1
1 203 . 6 1 1 A 19 19 ARG CB C 19 30.900 30.990 -0.090 1
1 206 . 6 1 1 A 19 19 ARG N N 19 114.300 119.086 -4.786 1
1 208 . 6 1 1 A 20 20 MET H H 20 7.960 7.575 0.385 1
1 209 . 6 1 1 A 20 20 MET HA H 20 4.610 4.246 0.364 1
1 217 . 6 1 1 A 20 20 MET CA C 20 54.100 57.487 -3.387 1
1 218 . 6 1 1 A 20 20 MET CB C 20 31.800 32.463 -0.663 1
1 221 . 6 1 1 A 20 20 MET N N 20 112.400 118.684 -6.284 1
1 222 . 6 1 1 A 21 21 ILE H H 21 6.970 8.070 -1.100 1
1 223 . 6 1 1 A 21 21 ILE HA H 21 4.050 4.221 -0.171 1
1 233 . 6 1 1 A 21 21 ILE CA C 21 59.800 61.483 -1.683 1
1 234 . 6 1 1 A 21 21 ILE CB C 21 35.900 37.937 -2.037 1
1 238 . 6 1 1 A 21 21 ILE N N 21 117.900 117.555 0.345 1
1 239 . 6 1 1 A 22 22 ALA H H 22 7.700 7.705 -0.005 1
1 240 . 6 1 1 A 22 22 ALA HA H 22 3.600 3.994 -0.394 1
1 244 . 6 1 1 A 22 22 ALA CA C 22 53.900 54.199 -0.299 1
1 245 . 6 1 1 A 22 22 ALA CB C 22 18.000 18.379 -0.379 1
1 246 . 6 1 1 A 22 22 ALA N N 22 123.500 124.735 -1.235 1
1 247 . 6 1 1 A 23 23 GLY H H 23 8.460 7.890 0.570 1
1 248 . 6 1 1 A 23 23 GLY HA2 H 23 3.960 3.979 -0.019 1
1 249 . 6 1 1 A 23 23 GLY HA3 H 23 3.820 3.993 -0.173 1
1 250 . 6 1 1 A 23 23 GLY CA C 23 45.600 44.882 0.718 1
1 251 . 6 1 1 A 23 23 GLY N N 23 109.600 107.536 2.064 1
1 252 . 6 1 1 A 24 24 ARG H H 24 7.830 8.417 -0.587 1
1 253 . 6 1 1 A 24 24 ARG HA H 24 4.440 4.966 -0.526 1
1 261 . 6 1 1 A 24 24 ARG CA C 24 56.700 54.931 1.769 1
1 262 . 6 1 1 A 24 24 ARG CB C 24 32.400 31.319 1.081 1
1 265 . 6 1 1 A 24 24 ARG N N 24 118.400 121.401 -3.001 1
1 267 . 6 1 1 A 25 25 TRP H H 25 8.240 8.888 -0.648 1
1 268 . 6 1 1 A 25 25 TRP HA H 25 4.640 4.872 -0.232 1
1 277 . 6 1 1 A 25 25 TRP CA C 25 56.900 58.291 -1.391 1
1 278 . 6 1 1 A 25 25 TRP CB C 25 31.400 30.971 0.429 1
1 284 . 6 1 1 A 25 25 TRP N N 25 121.500 122.954 -1.454 1
1 286 . 6 1 1 A 26 26 LYS H H 26 7.890 6.495 1.395 1
1 287 . 6 1 1 A 26 26 LYS HA H 26 3.910 3.253 0.657 1
1 296 . 6 1 1 A 26 26 LYS CA C 26 56.800 56.939 -0.139 1
1 297 . 6 1 1 A 26 26 LYS CB C 26 32.200 29.213 2.987 1
1 301 . 6 1 1 A 26 26 LYS N N 26 122.500 114.415 8.085 1
1 302 . 6 1 1 A 27 27 HIS H H 27 7.840 7.962 -0.122 1
1 303 . 6 1 1 A 27 27 HIS HA H 27 5.230 5.044 0.186 1
1 307 . 6 1 1 A 27 27 HIS CA C 27 53.200 53.380 -0.180 1
1 308 . 6 1 1 A 27 27 HIS CB C 27 28.200 29.852 -1.652 1
1 310 . 6 1 1 A 27 27 HIS N N 27 112.700 117.703 -5.003 1
1 311 . 6 1 1 A 28 28 PRO HA H 28 4.120 4.513 -0.393 1
1 318 . 6 1 1 A 28 28 PRO CA C 28 65.400 65.885 -0.485 1
1 319 . 6 1 1 A 28 28 PRO CB C 28 32.200 32.019 0.181 1
1 322 . 6 1 1 A 29 29 ASN H H 29 8.840 8.128 0.712 1
1 323 . 6 1 1 A 29 29 ASN HA H 29 4.470 4.543 -0.073 1
1 328 . 6 1 1 A 29 29 ASN CA C 29 56.100 55.995 0.105 1
1 329 . 6 1 1 A 29 29 ASN CB C 29 37.000 38.539 -1.539 1
1 330 . 6 1 1 A 29 29 ASN N N 29 116.300 115.472 0.828 1
1 332 . 6 1 1 A 30 30 ILE H H 30 7.630 7.778 -0.148 1
1 333 . 6 1 1 A 30 30 ILE HA H 30 3.910 3.611 0.299 1
1 343 . 6 1 1 A 30 30 ILE CA C 30 63.700 65.322 -1.622 1
1 344 . 6 1 1 A 30 30 ILE CB C 30 37.300 38.107 -0.807 1
1 348 . 6 1 1 A 30 30 ILE N N 30 121.500 119.645 1.855 1
1 349 . 6 1 1 A 31 31 VAL H H 31 6.920 7.990 -1.070 1
1 350 . 6 1 1 A 31 31 VAL HA H 31 3.020 3.649 -0.629 1
1 358 . 6 1 1 A 31 31 VAL CA C 31 65.500 64.904 0.596 1
1 359 . 6 1 1 A 31 31 VAL CB C 31 30.900 31.195 -0.295 1
1 362 . 6 1 1 A 31 31 VAL N N 31 119.900 121.187 -1.287 1
1 363 . 6 1 1 A 32 32 ARG H H 32 8.080 7.606 0.474 1
1 364 . 6 1 1 A 32 32 ARG HA H 32 3.380 3.801 -0.421 1
1 371 . 6 1 1 A 32 32 ARG CA C 32 58.900 59.629 -0.729 1
1 372 . 6 1 1 A 32 32 ARG CB C 32 28.800 29.674 -0.874 1
1 375 . 6 1 1 A 32 32 ARG N N 32 118.900 121.859 -2.959 1
1 376 . 6 1 1 A 33 33 SER H H 33 7.840 8.018 -0.178 1
1 377 . 6 1 1 A 33 33 SER HA H 33 4.130 4.180 -0.050 1
1 380 . 6 1 1 A 33 33 SER CA C 33 61.900 61.241 0.659 1
1 381 . 6 1 1 A 33 33 SER CB C 33 62.700 62.921 -0.221 1
1 382 . 6 1 1 A 33 33 SER N N 33 113.400 114.134 -0.734 1
1 383 . 6 1 1 A 34 34 ARG H H 34 7.610 7.707 -0.097 1
1 384 . 6 1 1 A 34 34 ARG HA H 34 4.370 4.062 0.308 1
1 392 . 6 1 1 A 34 34 ARG CA C 34 58.100 58.867 -0.767 1
1 393 . 6 1 1 A 34 34 ARG CB C 34 29.600 29.758 -0.158 1
1 396 . 6 1 1 A 34 34 ARG N N 34 119.900 121.331 -1.431 1
1 398 . 6 1 1 A 35 35 ILE H H 35 8.070 8.234 -0.164 1
1 399 . 6 1 1 A 35 35 ILE HA H 35 3.470 3.593 -0.123 1
1 409 . 6 1 1 A 35 35 ILE CA C 35 65.800 64.891 0.909 1
1 410 . 6 1 1 A 35 35 ILE CB C 35 38.200 37.788 0.412 1
1 414 . 6 1 1 A 35 35 ILE N N 35 118.600 120.069 -1.469 1
1 415 . 6 1 1 A 36 36 GLU H H 36 8.710 7.863 0.847 1
1 416 . 6 1 1 A 36 36 GLU HA H 36 3.880 4.137 -0.257 1
1 421 . 6 1 1 A 36 36 GLU CA C 36 58.400 58.842 -0.442 1
1 422 . 6 1 1 A 36 36 GLU CB C 36 30.000 29.502 0.498 1
1 424 . 6 1 1 A 36 36 GLU N N 36 116.800 118.457 -1.657 1
1 425 . 6 1 1 A 37 37 LYS H H 37 8.550 7.593 0.957 1
1 426 . 6 1 1 A 37 37 LYS HA H 37 4.300 4.356 -0.056 1
1 435 . 6 1 1 A 37 37 LYS CA C 37 57.300 57.906 -0.606 1
1 436 . 6 1 1 A 37 37 LYS CB C 37 33.000 33.872 -0.872 1
1 440 . 6 1 1 A 37 37 LYS N N 37 114.300 120.560 -6.260 1
1 441 . 6 1 1 A 38 38 ASP H H 38 7.480 8.570 -1.090 1
1 442 . 6 1 1 A 38 38 ASP HA H 38 4.970 4.432 0.538 1
1 445 . 6 1 1 A 38 38 ASP CA C 38 55.300 57.247 -1.947 1
1 446 . 6 1 1 A 38 38 ASP CB C 38 42.700 41.237 1.463 1
1 447 . 6 1 1 A 38 38 ASP N N 38 113.900 120.026 -6.126 1
1 448 . 6 1 1 A 39 39 ILE H H 39 7.540 7.216 0.324 1
1 449 . 6 1 1 A 39 39 ILE HA H 39 3.940 4.087 -0.147 1
1 459 . 6 1 1 A 39 39 ILE CA C 39 64.700 63.084 1.616 1
1 460 . 6 1 1 A 39 39 ILE CB C 39 39.000 38.890 0.110 1
1 464 . 6 1 1 A 39 39 ILE N N 39 116.800 117.638 -0.838 1
1 465 . 6 1 1 A 40 40 LYS H H 40 8.840 7.307 1.533 1
1 466 . 6 1 1 A 40 40 LYS HA H 40 3.650 4.608 -0.958 1
1 475 . 6 1 1 A 40 40 LYS CA C 40 50.600 53.558 -2.958 1
1 476 . 6 1 1 A 40 40 LYS CB C 40 30.400 32.448 -2.048 1
1 480 . 6 1 1 A 40 40 LYS N N 40 118.400 120.882 -2.482 1
1 481 . 6 1 1 A 41 41 PRO HA H 41 4.280 4.468 -0.188 1
1 488 . 6 1 1 A 41 41 PRO CA C 41 65.700 65.175 0.525 1
1 489 . 6 1 1 A 41 41 PRO CB C 41 30.700 32.094 -1.394 1
1 492 . 6 1 1 A 42 42 ALA H H 42 6.660 8.299 -1.639 1
1 493 . 6 1 1 A 42 42 ALA HA H 42 4.430 4.594 -0.164 1
1 497 . 6 1 1 A 42 42 ALA CA C 42 53.800 51.816 1.984 1
1 498 . 6 1 1 A 42 42 ALA CB C 42 20.800 20.331 0.469 1
1 499 . 6 1 1 A 42 42 ALA N N 42 115.300 118.162 -2.862 1
1 500 . 6 1 1 A 43 43 ILE H H 43 7.540 7.835 -0.295 1
1 501 . 6 1 1 A 43 43 ILE HA H 43 4.810 4.530 0.280 1
1 511 . 6 1 1 A 43 43 ILE CA C 43 60.600 60.360 0.240 1
1 512 . 6 1 1 A 43 43 ILE CB C 43 41.200 37.849 3.351 1
1 516 . 6 1 1 A 43 43 ILE N N 43 105.000 114.154 -9.154 1
1 517 . 6 1 1 A 44 44 GLY H H 44 8.500 8.394 0.106 1
1 518 . 6 1 1 A 44 44 GLY HA2 H 44 4.170 3.868 0.302 1
1 519 . 6 1 1 A 44 44 GLY HA3 H 44 3.430 3.870 -0.440 1
1 520 . 6 1 1 A 44 44 GLY CA C 44 47.300 46.951 0.349 1
1 521 . 6 1 1 A 44 44 GLY N N 44 109.600 112.994 -3.394 1
1 522 . 6 1 1 A 45 45 SER H H 45 8.120 7.842 0.278 1
1 523 . 6 1 1 A 45 45 SER HA H 45 4.440 4.598 -0.158 1
1 526 . 6 1 1 A 45 45 SER CA C 45 58.600 58.431 0.169 1
1 527 . 6 1 1 A 45 45 SER CB C 45 63.400 63.349 0.051 1
1 528 . 6 1 1 A 45 45 SER N N 45 110.400 114.375 -3.975 1
1 529 . 6 1 1 A 46 46 LEU H H 46 7.480 7.247 0.233 1
1 530 . 6 1 1 A 46 46 LEU HA H 46 4.180 4.892 -0.712 1
1 540 . 6 1 1 A 46 46 LEU CA C 46 54.800 53.413 1.387 1
1 541 . 6 1 1 A 46 46 LEU CB C 46 41.700 45.656 -3.956 1
1 545 . 6 1 1 A 46 46 LEU N N 46 122.600 123.227 -0.627 1
1 546 . 6 1 1 A 47 47 LYS H H 47 8.790 8.814 -0.024 1
1 547 . 6 1 1 A 47 47 LYS HA H 47 4.460 4.514 -0.054 1
1 556 . 6 1 1 A 47 47 LYS CA C 47 56.700 55.942 0.758 1
1 557 . 6 1 1 A 47 47 LYS CB C 47 31.100 33.513 -2.413 1
1 561 . 6 1 1 A 47 47 LYS N N 47 120.800 124.348 -3.548 1
1 562 . 6 1 1 A 48 48 VAL H H 48 8.600 8.911 -0.311 1
1 563 . 6 1 1 A 48 48 VAL HA H 48 3.470 3.893 -0.423 1
1 571 . 6 1 1 A 48 48 VAL CA C 48 66.900 66.541 0.359 1
1 572 . 6 1 1 A 48 48 VAL CB C 48 31.000 31.163 -0.163 1
1 575 . 6 1 1 A 48 48 VAL N N 48 123.000 121.339 1.661 1
1 576 . 6 1 1 A 49 49 GLU H H 49 9.360 8.216 1.144 1
1 577 . 6 1 1 A 49 49 GLU HA H 49 4.180 4.165 0.015 1
1 582 . 6 1 1 A 49 49 GLU CA C 49 57.600 58.831 -1.231 1
1 583 . 6 1 1 A 49 49 GLU CB C 49 28.500 29.500 -1.000 1
1 585 . 6 1 1 A 49 49 GLU N N 49 115.300 120.871 -5.571 1
1 586 . 6 1 1 A 50 50 ASP H H 50 7.840 7.840 0.000 1
1 587 . 6 1 1 A 50 50 ASP HA H 50 4.840 4.687 0.153 1
1 590 . 6 1 1 A 50 50 ASP CA C 50 53.800 54.895 -1.095 1
1 591 . 6 1 1 A 50 50 ASP CB C 50 41.400 41.942 -0.542 1
1 592 . 6 1 1 A 50 50 ASP N N 50 118.900 117.775 1.125 1
1 593 . 6 1 1 A 51 51 VAL H H 51 7.150 7.531 -0.381 1
1 594 . 6 1 1 A 51 51 VAL HA H 51 3.950 4.117 -0.167 1
1 602 . 6 1 1 A 51 51 VAL CA C 51 63.700 62.049 1.651 1
1 603 . 6 1 1 A 51 51 VAL CB C 51 30.900 31.186 -0.286 1
1 606 . 6 1 1 A 51 51 VAL N N 51 119.900 121.189 -1.289 1
1 607 . 6 1 1 A 52 52 LYS H H 52 11.840 8.516 3.324 1
1 608 . 6 1 1 A 52 52 LYS HA H 52 4.980 4.828 0.152 1
1 617 . 6 1 1 A 52 52 LYS CA C 52 52.800 54.374 -1.574 1
1 618 . 6 1 1 A 52 52 LYS CB C 52 33.100 33.026 0.074 1
1 622 . 6 1 1 A 52 52 LYS N N 52 133.900 125.928 7.972 1
1 623 . 6 1 1 A 53 53 PRO HA H 53 4.370 4.331 0.039 1
1 630 . 6 1 1 A 53 53 PRO CA C 53 66.600 65.684 0.916 1
1 631 . 6 1 1 A 53 53 PRO CB C 53 31.600 31.966 -0.366 1
1 634 . 6 1 1 A 54 54 ARG H H 54 8.180 8.499 -0.319 1
1 635 . 6 1 1 A 54 54 ARG HA H 54 4.200 4.053 0.147 1
1 643 . 6 1 1 A 54 54 ARG CA C 54 58.300 58.802 -0.502 1
1 644 . 6 1 1 A 54 54 ARG CB C 54 28.700 29.584 -0.884 1
1 647 . 6 1 1 A 54 54 ARG N N 54 113.800 118.323 -4.523 1
1 649 . 6 1 1 A 55 55 HIS H H 55 7.650 7.807 -0.157 1
1 650 . 6 1 1 A 55 55 HIS HA H 55 4.430 4.423 0.007 1
1 655 . 6 1 1 A 55 55 HIS CA C 55 60.500 59.962 0.538 1
1 656 . 6 1 1 A 55 55 HIS CB C 55 31.400 30.946 0.454 1
1 659 . 6 1 1 A 55 55 HIS N N 55 118.400 117.859 0.541 1
1 660 . 6 1 1 A 56 56 ILE H H 56 7.280 8.157 -0.877 1
1 661 . 6 1 1 A 56 56 ILE HA H 56 3.480 3.540 -0.060 1
1 671 . 6 1 1 A 56 56 ILE CA C 56 61.900 64.809 -2.909 1
1 672 . 6 1 1 A 56 56 ILE CB C 56 33.900 36.968 -3.068 1
1 676 . 6 1 1 A 56 56 ILE N N 56 117.400 119.939 -2.539 1
1 677 . 6 1 1 A 57 57 ASP H H 57 8.010 8.239 -0.229 1
1 678 . 6 1 1 A 57 57 ASP HA H 57 4.220 4.155 0.065 1
1 681 . 6 1 1 A 57 57 ASP CA C 57 57.200 57.893 -0.693 1
1 682 . 6 1 1 A 57 57 ASP CB C 57 40.900 41.079 -0.179 1
1 683 . 6 1 1 A 57 57 ASP N N 57 119.400 122.351 -2.951 1
1 684 . 6 1 1 A 58 58 ASP H H 58 8.000 7.404 0.596 1
1 685 . 6 1 1 A 58 58 ASP HA H 58 4.380 4.461 -0.081 1
1 688 . 6 1 1 A 58 58 ASP CA C 58 57.600 57.226 0.374 1
1 689 . 6 1 1 A 58 58 ASP CB C 58 39.200 41.064 -1.864 1
1 690 . 6 1 1 A 58 58 ASP N N 58 117.400 118.609 -1.209 1
1 691 . 6 1 1 A 59 59 VAL H H 59 7.800 7.783 0.017 1
1 692 . 6 1 1 A 59 59 VAL HA H 59 3.620 3.798 -0.178 1
1 700 . 6 1 1 A 59 59 VAL CA C 59 66.200 65.317 0.883 1
1 701 . 6 1 1 A 59 59 VAL CB C 59 31.400 31.546 -0.146 1
1 704 . 6 1 1 A 59 59 VAL N N 59 121.200 116.402 4.798 1
1 705 . 6 1 1 A 60 60 LEU H H 60 8.030 8.264 -0.234 1
1 706 . 6 1 1 A 60 60 LEU HA H 60 3.870 3.878 -0.008 1
1 716 . 6 1 1 A 60 60 LEU CA C 60 58.000 57.948 0.052 1
1 717 . 6 1 1 A 60 60 LEU CB C 60 40.300 40.826 -0.526 1
1 721 . 6 1 1 A 60 60 LEU N N 60 118.900 121.455 -2.555 1
1 722 . 6 1 1 A 61 61 LYS H H 61 8.710 7.741 0.969 1
1 723 . 6 1 1 A 61 61 LYS HA H 61 3.920 3.961 -0.041 1
1 732 . 6 1 1 A 61 61 LYS CA C 61 59.600 58.797 0.803 1
1 733 . 6 1 1 A 61 61 LYS CB C 61 32.500 32.318 0.182 1
1 737 . 6 1 1 A 61 61 LYS N N 61 118.300 120.960 -2.660 1
1 738 . 6 1 1 A 62 62 ALA H H 62 7.590 8.000 -0.410 1
1 739 . 6 1 1 A 62 62 ALA HA H 62 4.170 4.054 0.116 1
1 743 . 6 1 1 A 62 62 ALA CA C 62 55.100 55.074 0.026 1
1 744 . 6 1 1 A 62 62 ALA CB C 62 17.900 18.434 -0.534 1
1 745 . 6 1 1 A 62 62 ALA N N 62 121.000 121.444 -0.444 1
1 746 . 6 1 1 A 63 63 VAL H H 63 8.090 8.542 -0.452 1
1 747 . 6 1 1 A 63 63 VAL HA H 63 3.710 3.809 -0.099 1
1 755 . 6 1 1 A 63 63 VAL CA C 63 65.700 65.008 0.692 1
1 756 . 6 1 1 A 63 63 VAL CB C 63 31.700 31.367 0.333 1
1 759 . 6 1 1 A 63 63 VAL N N 63 118.000 116.822 1.178 1
1 760 . 6 1 1 A 64 64 MET H H 64 8.360 7.842 0.518 1
1 761 . 6 1 1 A 64 64 MET HA H 64 4.110 4.206 -0.096 1
1 769 . 6 1 1 A 64 64 MET CA C 64 57.600 58.180 -0.580 1
1 770 . 6 1 1 A 64 64 MET CB C 64 31.700 32.375 -0.675 1
1 773 . 6 1 1 A 64 64 MET N N 64 119.400 120.678 -1.278 1
1 774 . 6 1 1 A 65 65 LYS H H 65 7.660 7.899 -0.239 1
1 775 . 6 1 1 A 65 65 LYS HA H 65 4.170 4.045 0.125 1
1 784 . 6 1 1 A 65 65 LYS CA C 65 58.100 59.412 -1.312 1
1 785 . 6 1 1 A 65 65 LYS CB C 65 32.500 32.048 0.452 1
1 789 . 6 1 1 A 65 65 LYS N N 65 118.900 118.162 0.738 1
1 790 . 6 1 1 A 66 66 ARG H H 66 7.600 8.858 -1.258 1
1 791 . 6 1 1 A 66 66 ARG HA H 66 4.430 4.154 0.276 1
1 799 . 6 1 1 A 66 66 ARG CA C 66 56.600 57.850 -1.250 1
1 800 . 6 1 1 A 66 66 ARG CB C 66 30.400 29.325 1.075 1
1 803 . 6 1 1 A 66 66 ARG N N 66 115.800 120.317 -4.517 1
1 805 . 6 1 1 A 67 67 GLY H H 67 7.830 7.683 0.147 1
1 806 . 6 1 1 A 67 67 GLY HA2 H 67 4.010 4.082 -0.072 1
1 807 . 6 1 1 A 67 67 GLY HA3 H 67 3.980 4.085 -0.105 1
1 808 . 6 1 1 A 67 67 GLY CA C 67 45.700 45.902 -0.202 1
1 809 . 6 1 1 A 67 67 GLY N N 67 107.400 107.799 -0.399 1
1 810 . 6 1 1 A 68 68 ALA H H 68 7.730 8.150 -0.420 1
1 811 . 6 1 1 A 68 68 ALA HA H 68 4.980 4.726 0.254 1
1 815 . 6 1 1 A 68 68 ALA CA C 68 49.700 50.258 -0.558 1
1 816 . 6 1 1 A 68 68 ALA CB C 68 18.900 21.534 -2.634 1
1 817 . 6 1 1 A 68 68 ALA N N 68 122.500 120.709 1.791 1
1 818 . 6 1 1 A 69 69 PRO HA H 69 4.350 4.224 0.126 1
1 825 . 6 1 1 A 69 69 PRO CA C 69 65.400 65.055 0.345 1
1 826 . 6 1 1 A 69 69 PRO CB C 69 31.700 31.925 -0.225 1
1 829 . 6 1 1 A 70 70 SER H H 70 8.430 8.475 -0.045 1
1 830 . 6 1 1 A 70 70 SER HA H 70 4.250 4.218 0.032 1
1 833 . 6 1 1 A 70 70 SER CA C 70 61.000 61.291 -0.291 1
1 834 . 6 1 1 A 70 70 SER CB C 70 61.500 62.916 -1.416 1
1 835 . 6 1 1 A 70 70 SER N N 70 112.200 114.028 -1.828 1
1 836 . 6 1 1 A 71 71 ILE H H 71 7.430 7.870 -0.440 1
1 837 . 6 1 1 A 71 71 ILE HA H 71 3.980 3.619 0.361 1
1 847 . 6 1 1 A 71 71 ILE CA C 71 63.100 65.485 -2.385 1
1 848 . 6 1 1 A 71 71 ILE CB C 71 36.700 38.160 -1.460 1
1 852 . 6 1 1 A 71 71 ILE N N 71 122.000 121.787 0.213 1
1 853 . 6 1 1 A 72 72 ALA H H 72 7.780 7.920 -0.140 1
1 854 . 6 1 1 A 72 72 ALA HA H 72 3.910 3.977 -0.067 1
1 858 . 6 1 1 A 72 72 ALA CA C 72 55.800 55.830 -0.030 1
1 859 . 6 1 1 A 72 72 ALA CB C 72 17.900 18.358 -0.458 1
1 860 . 6 1 1 A 72 72 ALA N N 72 126.100 122.656 3.444 1
1 861 . 6 1 1 A 73 73 ASN H H 73 8.180 8.158 0.022 1
1 862 . 6 1 1 A 73 73 ASN HA H 73 4.410 4.433 -0.023 1
1 867 . 6 1 1 A 73 73 ASN CA C 73 55.900 56.734 -0.834 1
1 868 . 6 1 1 A 73 73 ASN CB C 73 37.800 38.134 -0.334 1
1 869 . 6 1 1 A 73 73 ASN N N 73 116.700 117.478 -0.778 1
1 871 . 6 1 1 A 74 74 ASP H H 74 8.120 8.401 -0.281 1
1 872 . 6 1 1 A 74 74 ASP HA H 74 4.410 4.422 -0.012 1
1 875 . 6 1 1 A 74 74 ASP CA C 74 57.500 56.935 0.565 1
1 876 . 6 1 1 A 74 74 ASP CB C 74 41.400 41.843 -0.443 1
1 877 . 6 1 1 A 74 74 ASP N N 74 120.800 119.761 1.039 1
1 878 . 6 1 1 A 75 75 THR H H 75 8.360 8.368 -0.008 1
1 879 . 6 1 1 A 75 75 THR HA H 75 3.750 4.043 -0.293 1
1 884 . 6 1 1 A 75 75 THR CA C 75 68.800 67.493 1.307 1
1 885 . 6 1 1 A 75 75 THR CB C 75 67.700 68.888 -1.188 1
1 887 . 6 1 1 A 75 75 THR N N 75 116.300 116.375 -0.075 1
1 888 . 6 1 1 A 76 76 LEU H H 76 8.160 8.505 -0.345 1
1 889 . 6 1 1 A 76 76 LEU HA H 76 3.980 3.997 -0.017 1
1 899 . 6 1 1 A 76 76 LEU CA C 76 58.000 58.234 -0.234 1
1 900 . 6 1 1 A 76 76 LEU CB C 76 40.500 41.425 -0.925 1
1 904 . 6 1 1 A 76 76 LEU N N 76 121.000 120.060 0.940 1
1 905 . 6 1 1 A 77 77 ARG H H 77 7.810 8.600 -0.790 1
1 906 . 6 1 1 A 77 77 ARG HA H 77 3.790 3.947 -0.157 1
1 914 . 6 1 1 A 77 77 ARG CA C 77 60.000 59.450 0.550 1
1 915 . 6 1 1 A 77 77 ARG CB C 77 29.400 29.767 -0.367 1
1 918 . 6 1 1 A 77 77 ARG N N 77 118.400 119.130 -0.730 1
1 920 . 6 1 1 A 78 78 TRP H H 78 7.870 7.883 -0.013 1
1 921 . 6 1 1 A 78 78 TRP HA H 78 4.490 4.424 0.066 1
1 930 . 6 1 1 A 78 78 TRP CA C 78 60.200 61.378 -1.178 1
1 931 . 6 1 1 A 78 78 TRP CB C 78 28.700 29.299 -0.599 1
1 937 . 6 1 1 A 78 78 TRP N N 78 118.300 121.699 -3.399 1
1 939 . 6 1 1 A 79 79 LEU H H 79 8.630 8.852 -0.222 1
1 940 . 6 1 1 A 79 79 LEU HA H 79 3.940 3.692 0.248 1
1 950 . 6 1 1 A 79 79 LEU CA C 79 58.200 58.030 0.170 1
1 951 . 6 1 1 A 79 79 LEU CB C 79 42.300 41.591 0.709 1
1 955 . 6 1 1 A 79 79 LEU N N 79 120.200 119.618 0.582 1
1 956 . 6 1 1 A 80 80 LYS H H 80 8.710 8.179 0.531 1
1 957 . 6 1 1 A 80 80 LYS HA H 80 3.880 4.069 -0.189 1
1 966 . 6 1 1 A 80 80 LYS CA C 80 61.300 60.473 0.827 1
1 967 . 6 1 1 A 80 80 LYS CB C 80 32.300 32.282 0.018 1
1 971 . 6 1 1 A 80 80 LYS N N 80 118.400 117.496 0.904 1
1 972 . 6 1 1 A 81 81 ARG H H 81 7.800 8.161 -0.361 1
1 973 . 6 1 1 A 81 81 ARG HA H 81 4.030 3.959 0.071 1
1 981 . 6 1 1 A 81 81 ARG CA C 81 59.700 59.542 0.158 1
1 982 . 6 1 1 A 81 81 ARG CB C 81 30.400 29.665 0.735 1
1 985 . 6 1 1 A 81 81 ARG N N 81 117.400 119.367 -1.967 1
1 987 . 6 1 1 A 82 82 MET H H 82 8.530 7.418 1.112 1
1 988 . 6 1 1 A 82 82 MET HA H 82 3.000 2.727 0.273 1
1 996 . 6 1 1 A 82 82 MET CA C 82 58.900 57.955 0.945 1
1 997 . 6 1 1 A 82 82 MET CB C 82 32.300 31.023 1.277 1
1 1000 . 6 1 1 A 82 82 MET N N 82 121.400 118.258 3.142 1
1 1001 . 6 1 1 A 83 83 PHE H H 83 8.340 8.175 0.165 1
1 1002 . 6 1 1 A 83 83 PHE HA H 83 4.340 4.217 0.123 1
1 1010 . 6 1 1 A 83 83 PHE CA C 83 61.900 61.474 0.426 1
1 1011 . 6 1 1 A 83 83 PHE CB C 83 38.800 37.830 0.970 1
1 1015 . 6 1 1 A 83 83 PHE N N 83 116.900 118.211 -1.311 1
1 1016 . 6 1 1 A 84 84 ASN H H 84 8.170 7.861 0.309 1
1 1017 . 6 1 1 A 84 84 ASN HA H 84 4.670 4.472 0.198 1
1 1022 . 6 1 1 A 84 84 ASN CA C 84 55.800 56.293 -0.493 1
1 1023 . 6 1 1 A 84 84 ASN CB C 84 37.500 38.918 -1.418 1
1 1024 . 6 1 1 A 84 84 ASN N N 84 120.500 118.231 2.269 1
1 1026 . 6 1 1 A 85 85 TYR H H 85 7.910 8.060 -0.150 1
1 1027 . 6 1 1 A 85 85 TYR HA H 85 4.320 4.122 0.198 1
1 1034 . 6 1 1 A 85 85 TYR CA C 85 61.100 61.770 -0.670 1
1 1035 . 6 1 1 A 85 85 TYR CB C 85 37.900 38.573 -0.673 1
1 1038 . 6 1 1 A 85 85 TYR N N 85 124.000 121.052 2.948 1
1 1039 . 6 1 1 A 86 86 ALA H H 86 7.780 8.245 -0.465 1
1 1040 . 6 1 1 A 86 86 ALA HA H 86 3.670 3.971 -0.301 1
1 1044 . 6 1 1 A 86 86 ALA CA C 86 54.800 54.980 -0.180 1
1 1045 . 6 1 1 A 86 86 ALA CB C 86 18.100 18.181 -0.081 1
1 1046 . 6 1 1 A 86 86 ALA N N 86 120.500 121.463 -0.963 1
1 1047 . 6 1 1 A 87 87 ILE H H 87 7.880 7.799 0.081 1
1 1048 . 6 1 1 A 87 87 ILE HA H 87 4.240 4.146 0.094 1
1 1058 . 6 1 1 A 87 87 ILE CA C 87 63.900 66.289 -2.389 1
1 1059 . 6 1 1 A 87 87 ILE CB C 87 37.900 37.989 -0.089 1
1 1063 . 6 1 1 A 87 87 ILE N N 87 120.400 117.934 2.466 1
1 1064 . 6 1 1 A 88 88 LYS H H 88 7.880 8.165 -0.285 1
1 1065 . 6 1 1 A 88 88 LYS HA H 88 3.900 3.795 0.105 1
1 1074 . 6 1 1 A 88 88 LYS CA C 88 58.900 59.361 -0.461 1
1 1075 . 6 1 1 A 88 88 LYS CB C 88 31.300 32.244 -0.944 1
1 1079 . 6 1 1 A 88 88 LYS N N 88 124.300 122.053 2.247 1
1 1080 . 6 1 1 A 89 89 ARG H H 89 7.350 7.494 -0.144 1
1 1081 . 6 1 1 A 89 89 ARG HA H 89 4.020 4.022 -0.002 1
1 1088 . 6 1 1 A 89 89 ARG CA C 89 54.600 55.387 -0.787 1
1 1089 . 6 1 1 A 89 89 ARG CB C 89 29.100 29.466 -0.366 1
1 1092 . 6 1 1 A 89 89 ARG N N 89 114.300 115.824 -1.524 1
1 1093 . 6 1 1 A 90 90 HIS H H 90 8.030 8.036 -0.006 1
1 1094 . 6 1 1 A 90 90 HIS HA H 90 4.330 4.207 0.123 1
1 1098 . 6 1 1 A 90 90 HIS CA C 90 56.300 57.153 -0.853 1
1 1099 . 6 1 1 A 90 90 HIS CB C 90 25.200 26.393 -1.193 1
1 1101 . 6 1 1 A 90 90 HIS N N 90 113.200 113.655 -0.455 1
1 1102 . 6 1 1 A 91 91 ILE H H 91 8.370 8.128 0.242 1
1 1103 . 6 1 1 A 91 91 ILE HA H 91 3.830 3.822 0.008 1
1 1113 . 6 1 1 A 91 91 ILE CA C 91 63.600 63.718 -0.118 1
1 1114 . 6 1 1 A 91 91 ILE CB C 91 39.300 38.083 1.217 1
1 1118 . 6 1 1 A 91 91 ILE N N 91 118.400 118.924 -0.524 1
1 1119 . 6 1 1 A 92 92 ILE H H 92 6.860 7.539 -0.679 1
1 1120 . 6 1 1 A 92 92 ILE HA H 92 4.570 4.431 0.139 1
1 1130 . 6 1 1 A 92 92 ILE CA C 92 58.800 59.488 -0.688 1
1 1131 . 6 1 1 A 92 92 ILE CB C 92 42.700 40.441 2.259 1
1 1135 . 6 1 1 A 92 92 ILE N N 92 108.600 119.291 -10.691 1
1 1136 . 6 1 1 A 93 93 GLU H H 93 8.690 8.608 0.082 1
1 1137 . 6 1 1 A 93 93 GLU HA H 93 4.470 4.402 0.068 1
1 1142 . 6 1 1 A 93 93 GLU CA C 93 56.400 55.638 0.762 1
1 1143 . 6 1 1 A 93 93 GLU CB C 93 31.200 30.122 1.078 1
1 1145 . 6 1 1 A 93 93 GLU N N 93 116.800 126.051 -9.251 1
1 1146 . 6 1 1 A 94 94 TYR H H 94 7.420 7.361 0.059 1
1 1147 . 6 1 1 A 94 94 TYR HA H 94 4.710 5.030 -0.320 1
1 1154 . 6 1 1 A 94 94 TYR CA C 94 55.800 56.546 -0.746 1
1 1155 . 6 1 1 A 94 94 TYR CB C 94 40.600 41.478 -0.878 1
1 1158 . 6 1 1 A 94 94 TYR N N 94 117.900 119.198 -1.298 1
1 1159 . 6 1 1 A 95 95 ASN H H 95 8.960 8.837 0.123 1
1 1160 . 6 1 1 A 95 95 ASN HA H 95 4.550 5.210 -0.660 1
1 1165 . 6 1 1 A 95 95 ASN CA C 95 49.700 50.444 -0.744 1
1 1166 . 6 1 1 A 95 95 ASN CB C 95 39.200 39.431 -0.231 1
1 1167 . 6 1 1 A 95 95 ASN N N 95 122.500 121.823 0.677 1
1 1169 . 6 1 1 A 96 96 PRO HA H 96 4.300 4.286 0.014 1
1 1176 . 6 1 1 A 96 96 PRO CA C 96 64.000 64.734 -0.734 1
1 1177 . 6 1 1 A 96 96 PRO CB C 96 31.100 31.640 -0.540 1
1 1180 . 6 1 1 A 97 97 ALA H H 97 8.090 8.128 -0.038 1
1 1181 . 6 1 1 A 97 97 ALA HA H 97 4.540 4.698 -0.158 1
1 1185 . 6 1 1 A 97 97 ALA CA C 97 51.200 53.260 -2.060 1
1 1186 . 6 1 1 A 97 97 ALA CB C 97 18.900 19.347 -0.447 1
1 1187 . 6 1 1 A 97 97 ALA N N 97 118.400 119.084 -0.684 1
1 1188 . 6 1 1 A 98 98 ALA H H 98 7.330 7.971 -0.641 1
1 1189 . 6 1 1 A 98 98 ALA HA H 98 3.990 4.221 -0.231 1
1 1193 . 6 1 1 A 98 98 ALA CA C 98 54.700 54.036 0.664 1
1 1194 . 6 1 1 A 98 98 ALA CB C 98 18.900 18.532 0.368 1
1 1195 . 6 1 1 A 98 98 ALA N N 98 120.500 120.906 -0.406 1
1 1196 . 6 1 1 A 99 99 ALA H H 99 8.020 7.699 0.321 1
1 1197 . 6 1 1 A 99 99 ALA HA H 99 4.180 4.178 0.002 1
1 1201 . 6 1 1 A 99 99 ALA CA C 99 52.500 52.573 -0.073 1
1 1202 . 6 1 1 A 99 99 ALA CB C 99 18.200 18.696 -0.496 1
1 1203 . 6 1 1 A 99 99 ALA N N 99 117.400 119.156 -1.756 1
1 1204 . 6 1 1 A 100 100 PHE H H 100 7.320 7.308 0.012 1
1 1205 . 6 1 1 A 100 100 PHE HA H 100 4.360 5.247 -0.887 1
1 1210 . 6 1 1 A 100 100 PHE CA C 100 57.700 56.709 0.991 1
1 1211 . 6 1 1 A 100 100 PHE CB C 100 40.500 43.260 -2.760 1
1 1213 . 6 1 1 A 100 100 PHE N N 100 117.400 116.461 0.939 1
1 1214 . 6 1 1 A 101 101 ASP H H 101 8.520 8.877 -0.357 1
1 1215 . 6 1 1 A 101 101 ASP HA H 101 4.910 5.361 -0.451 1
1 1218 . 6 1 1 A 101 101 ASP CA C 101 51.400 50.449 0.951 1
1 1219 . 6 1 1 A 101 101 ASP CB C 101 41.400 43.538 -2.138 1
1 1220 . 6 1 1 A 101 101 ASP N N 101 122.600 122.730 -0.130 1
1 1221 . 6 1 1 A 102 102 PRO HA H 102 4.350 4.508 -0.158 1
1 1228 . 6 1 1 A 102 102 PRO CA C 102 63.400 64.385 -0.985 1
1 1229 . 6 1 1 A 102 102 PRO CB C 102 31.900 32.054 -0.154 1
1 1232 . 6 1 1 A 103 103 GLY H H 103 8.440 8.155 0.285 1
1 1233 . 6 1 1 A 103 103 GLY HA2 H 103 3.890 4.039 -0.149 1
1 1234 . 6 1 1 A 103 103 GLY HA3 H 103 3.860 4.040 -0.180 1
1 1235 . 6 1 1 A 103 103 GLY CA C 103 45.100 45.237 -0.137 1
1 1236 . 6 1 1 A 103 103 GLY N N 103 108.300 107.946 0.354 1
1 1237 . 6 1 1 A 104 104 ASP H H 104 8.100 7.976 0.124 1
1 1238 . 6 1 1 A 104 104 ASP HA H 104 4.620 4.902 -0.282 1
1 1241 . 6 1 1 A 104 104 ASP CA C 104 53.900 53.154 0.746 1
1 1242 . 6 1 1 A 104 104 ASP CB C 104 40.700 40.374 0.326 1
1 1243 . 6 1 1 A 104 104 ASP N N 104 120.100 122.413 -2.313 1
1 1244 . 6 1 1 A 105 105 ALA H H 105 8.360 8.458 -0.098 1
1 1245 . 6 1 1 A 105 105 ALA HA H 105 4.270 4.513 -0.243 1
1 1249 . 6 1 1 A 105 105 ALA CA C 105 52.900 51.943 0.957 1
1 1250 . 6 1 1 A 105 105 ALA CB C 105 18.800 20.210 -1.410 1
1 1251 . 6 1 1 A 105 105 ALA N N 105 124.600 129.037 -4.437 1
1 1252 . 6 1 1 A 106 106 GLY H H 106 8.470 8.483 -0.013 1
1 1253 . 6 1 1 A 106 106 GLY HA2 H 106 3.930 4.175 -0.245 1
1 1254 . 6 1 1 A 106 106 GLY HA3 H 106 3.910 4.179 -0.269 1
1 1255 . 6 1 1 A 106 106 GLY CA C 106 45.400 45.207 0.193 1
1 1256 . 6 1 1 A 106 106 GLY N N 106 107.500 107.041 0.459 1
1 1257 . 6 1 1 A 107 107 GLY H H 107 8.170 9.017 -0.847 1
1 1258 . 6 1 1 A 107 107 GLY HA2 H 107 3.950 3.967 -0.017 1
1 1259 . 6 1 1 A 107 107 GLY HA3 H 107 3.940 3.967 -0.027 1
1 1260 . 6 1 1 A 107 107 GLY CA C 107 45.300 45.040 0.260 1
1 1261 . 6 1 1 A 107 107 GLY N N 107 108.600 113.236 -4.636 1
1 1262 . 6 1 1 A 108 108 LYS H H 108 8.160 7.510 0.650 1
1 1263 . 6 1 1 A 108 108 LYS HA H 108 4.260 4.370 -0.110 1
1 1272 . 6 1 1 A 108 108 LYS CA C 108 56.500 56.353 0.147 1
1 1273 . 6 1 1 A 108 108 LYS CB C 108 32.800 33.189 -0.389 1
1 1277 . 6 1 1 A 108 108 LYS N N 108 120.500 119.993 0.507 1
1 1278 . 6 1 1 A 109 109 LEU H H 109 8.220 8.887 -0.667 1
1 1279 . 6 1 1 A 109 109 LEU HA H 109 4.260 5.068 -0.808 1
1 1289 . 6 1 1 A 109 109 LEU CA C 109 55.000 53.472 1.528 1
1 1290 . 6 1 1 A 109 109 LEU CB C 109 41.900 45.700 -3.800 1
1 1294 . 6 1 1 A 109 109 LEU N N 109 122.200 125.286 -3.086 1
1 1295 . 6 1 1 A 110 110 GLU H H 110 8.160 8.950 -0.790 1
1 1296 . 6 1 1 A 110 110 GLU HA H 110 4.190 4.424 -0.234 1
1 1301 . 6 1 1 A 110 110 GLU CA C 110 56.000 56.402 -0.402 1
1 1302 . 6 1 1 A 110 110 GLU CB C 110 29.900 29.575 0.325 1
1 1304 . 6 1 1 A 110 110 GLU N N 110 121.000 126.726 -5.726 1
1 1305 . 6 1 1 A 111 111 HIS H H 111 8.460 8.828 -0.368 1
1 1306 . 6 1 1 A 111 111 HIS HA H 111 4.630 4.091 0.539 1
1 1309 . 6 1 1 A 111 111 HIS CA C 111 54.900 59.703 -4.803 1
1 1310 . 6 1 1 A 111 111 HIS CB C 111 28.700 30.365 -1.665 1
1 1311 . 6 1 1 A 111 111 HIS N N 111 118.900 126.496 -7.596 1
1 1312 . 6 1 1 A 112 112 HIS H H 112 8.540 7.941 0.599 1
1 1313 . 6 1 1 A 112 112 HIS HA H 112 4.640 5.135 -0.495 1
1 1316 . 6 1 1 A 112 112 HIS CA C 112 55.100 54.801 0.299 1
1 1317 . 6 1 1 A 112 112 HIS CB C 112 28.900 33.663 -4.763 1
1 1318 . 6 1 1 A 112 112 HIS N N 112 119.100 113.936 5.164 1
1 1319 . 6 1 1 A 113 113 HIS H H 113 8.630 9.185 -0.555 1
1 1320 . 6 1 1 A 113 113 HIS HA H 113 4.670 4.598 0.072 1
1 1323 . 6 1 1 A 113 113 HIS CA C 113 55.200 56.209 -1.009 1
1 1324 . 6 1 1 A 113 113 HIS CB C 113 28.900 30.250 -1.350 1
1 1325 . 6 1 1 A 113 113 HIS N N 113 119.400 122.274 -2.874 1
1 1326 . 6 1 1 A 114 114 HIS H H 114 8.670 8.759 -0.089 1
1 1327 . 6 1 1 A 114 114 HIS HA H 114 4.670 4.857 -0.187 1
1 1330 . 6 1 1 A 114 114 HIS CA C 114 55.200 55.301 -0.101 1
1 1331 . 6 1 1 A 114 114 HIS CB C 114 29.100 31.822 -2.722 1
1 1332 . 6 1 1 A 114 114 HIS N N 114 120.400 120.195 0.205 1
1 1333 . 6 1 1 A 115 115 HIS H H 115 8.560 9.369 -0.809 1
1 1334 . 6 1 1 A 115 115 HIS HA H 115 4.660 4.223 0.437 1
1 1337 . 6 1 1 A 115 115 HIS CA C 115 55.300 57.061 -1.761 1
1 1338 . 6 1 1 A 115 115 HIS CB C 115 29.300 28.939 0.361 1
1 1339 . 6 1 1 A 115 115 HIS N N 115 120.600 119.820 0.780 1
1 5 . 7 1 1 A 2 2 ALA H H 2 8.190 8.408 -0.218 1
1 6 . 7 1 1 A 2 2 ALA HA H 2 4.510 4.638 -0.128 1
1 10 . 7 1 1 A 2 2 ALA CA C 2 51.900 52.055 -0.155 1
1 11 . 7 1 1 A 2 2 ALA CB C 2 19.500 21.158 -1.658 1
1 12 . 7 1 1 A 2 2 ALA N N 2 124.100 124.993 -0.893 1
1 13 . 7 1 1 A 3 3 GLU H H 3 8.740 7.960 0.780 1
1 14 . 7 1 1 A 3 3 GLU HA H 3 4.380 4.447 -0.067 1
1 19 . 7 1 1 A 3 3 GLU CA C 3 56.000 56.379 -0.379 1
1 20 . 7 1 1 A 3 3 GLU CB C 3 29.900 29.064 0.836 1
1 22 . 7 1 1 A 3 3 GLU N N 3 120.700 120.020 0.680 1
1 23 . 7 1 1 A 4 4 LYS H H 4 8.580 8.385 0.195 1
1 24 . 7 1 1 A 4 4 LYS HA H 4 4.280 4.539 -0.259 1
1 33 . 7 1 1 A 4 4 LYS CA C 4 56.600 56.997 -0.397 1
1 34 . 7 1 1 A 4 4 LYS CB C 4 32.600 34.905 -2.305 1
1 38 . 7 1 1 A 4 4 LYS N N 4 122.500 122.974 -0.474 1
1 39 . 7 1 1 A 5 5 ASN H H 5 8.560 7.517 1.043 1
1 40 . 7 1 1 A 5 5 ASN HA H 5 4.700 5.370 -0.670 1
1 45 . 7 1 1 A 5 5 ASN CA C 5 53.200 51.516 1.684 1
1 46 . 7 1 1 A 5 5 ASN CB C 5 38.900 41.664 -2.764 1
1 47 . 7 1 1 A 5 5 ASN N N 5 119.500 115.737 3.763 1
1 49 . 7 1 1 A 6 6 ALA H H 6 8.210 8.472 -0.262 1
1 50 . 7 1 1 A 6 6 ALA HA H 6 4.520 4.407 0.113 1
1 54 . 7 1 1 A 6 6 ALA CA C 6 51.800 51.467 0.333 1
1 55 . 7 1 1 A 6 6 ALA CB C 6 19.600 18.908 0.692 1
1 56 . 7 1 1 A 6 6 ALA N N 6 124.100 124.493 -0.393 1
1 57 . 7 1 1 A 7 7 TYR H H 7 8.740 8.411 0.329 1
1 58 . 7 1 1 A 7 7 TYR HA H 7 4.700 4.943 -0.243 1
1 65 . 7 1 1 A 7 7 TYR CA C 7 58.900 56.699 2.201 1
1 66 . 7 1 1 A 7 7 TYR CB C 7 40.300 40.218 0.082 1
1 69 . 7 1 1 A 7 7 TYR N N 7 121.400 123.983 -2.583 1
1 70 . 7 1 1 A 8 8 THR H H 8 8.170 8.999 -0.829 1
1 71 . 7 1 1 A 8 8 THR HA H 8 5.220 4.678 0.542 1
1 76 . 7 1 1 A 8 8 THR CA C 8 59.800 60.742 -0.942 1
1 77 . 7 1 1 A 8 8 THR CB C 8 71.600 71.636 -0.036 1
1 79 . 7 1 1 A 8 8 THR N N 8 113.700 114.220 -0.520 1
1 80 . 7 1 1 A 9 9 VAL H H 9 8.990 8.365 0.625 1
1 81 . 7 1 1 A 9 9 VAL HA H 9 3.370 3.951 -0.581 1
1 89 . 7 1 1 A 9 9 VAL CA C 9 66.700 65.148 1.552 1
1 90 . 7 1 1 A 9 9 VAL CB C 9 30.200 31.640 -1.440 1
1 93 . 7 1 1 A 9 9 VAL N N 9 121.400 122.194 -0.794 1
1 94 . 7 1 1 A 10 10 ALA H H 10 9.340 8.389 0.951 1
1 95 . 7 1 1 A 10 10 ALA HA H 10 3.720 3.922 -0.202 1
1 99 . 7 1 1 A 10 10 ALA CA C 10 55.800 55.268 0.532 1
1 100 . 7 1 1 A 10 10 ALA CB C 10 18.200 18.046 0.154 1
1 101 . 7 1 1 A 10 10 ALA N N 10 122.000 123.094 -1.094 1
1 102 . 7 1 1 A 11 11 GLN H H 11 7.330 7.243 0.087 1
1 103 . 7 1 1 A 11 11 GLN HA H 11 4.050 4.177 -0.127 1
1 110 . 7 1 1 A 11 11 GLN CA C 11 58.400 58.494 -0.094 1
1 111 . 7 1 1 A 11 11 GLN CB C 11 28.700 28.453 0.247 1
1 113 . 7 1 1 A 11 11 GLN N N 11 115.300 117.833 -2.533 1
1 115 . 7 1 1 A 12 12 LEU H H 12 8.510 7.948 0.562 1
1 116 . 7 1 1 A 12 12 LEU HA H 12 4.200 4.198 0.002 1
1 126 . 7 1 1 A 12 12 LEU CA C 12 57.600 57.843 -0.243 1
1 127 . 7 1 1 A 12 12 LEU CB C 12 41.700 41.562 0.138 1
1 131 . 7 1 1 A 12 12 LEU N N 12 121.500 122.400 -0.900 1
1 132 . 7 1 1 A 13 13 ALA H H 13 9.160 8.263 0.897 1
1 133 . 7 1 1 A 13 13 ALA HA H 13 3.990 4.079 -0.089 1
1 137 . 7 1 1 A 13 13 ALA CA C 13 55.400 55.587 -0.187 1
1 138 . 7 1 1 A 13 13 ALA CB C 13 17.700 18.465 -0.765 1
1 139 . 7 1 1 A 13 13 ALA N N 13 121.000 120.578 0.422 1
1 140 . 7 1 1 A 14 14 ASP H H 14 7.920 8.293 -0.373 1
1 141 . 7 1 1 A 14 14 ASP HA H 14 4.480 4.303 0.177 1
1 144 . 7 1 1 A 14 14 ASP CA C 14 57.200 57.294 -0.094 1
1 145 . 7 1 1 A 14 14 ASP CB C 14 39.500 40.962 -1.462 1
1 146 . 7 1 1 A 14 14 ASP N N 14 117.400 117.977 -0.577 1
1 147 . 7 1 1 A 15 15 GLU H H 15 8.210 7.919 0.291 1
1 148 . 7 1 1 A 15 15 GLU HA H 15 4.110 4.043 0.067 1
1 153 . 7 1 1 A 15 15 GLU CA C 15 59.800 59.354 0.446 1
1 154 . 7 1 1 A 15 15 GLU CB C 15 30.100 29.426 0.674 1
1 156 . 7 1 1 A 15 15 GLU N N 15 122.500 119.134 3.366 1
1 157 . 7 1 1 A 16 16 TYR H H 16 9.230 8.393 0.837 1
1 158 . 7 1 1 A 16 16 TYR HA H 16 3.180 3.983 -0.803 1
1 165 . 7 1 1 A 16 16 TYR CA C 16 61.100 61.361 -0.261 1
1 166 . 7 1 1 A 16 16 TYR CB C 16 38.300 38.236 0.064 1
1 169 . 7 1 1 A 16 16 TYR N N 16 119.400 120.680 -1.280 1
1 170 . 7 1 1 A 17 17 PHE H H 17 8.700 8.015 0.685 1
1 171 . 7 1 1 A 17 17 PHE HA H 17 3.480 3.903 -0.423 1
1 178 . 7 1 1 A 17 17 PHE CA C 17 61.600 61.251 0.349 1
1 179 . 7 1 1 A 17 17 PHE CB C 17 39.300 39.002 0.298 1
1 182 . 7 1 1 A 17 17 PHE N N 17 118.400 120.989 -2.589 1
1 183 . 7 1 1 A 18 18 GLU H H 18 8.280 8.117 0.163 1
1 184 . 7 1 1 A 18 18 GLU HA H 18 3.840 3.891 -0.051 1
1 189 . 7 1 1 A 18 18 GLU CA C 18 58.800 60.004 -1.204 1
1 190 . 7 1 1 A 18 18 GLU CB C 18 29.000 29.247 -0.247 1
1 192 . 7 1 1 A 18 18 GLU N N 18 118.500 117.887 0.613 1
1 193 . 7 1 1 A 19 19 ARG H H 19 8.350 7.662 0.688 1
1 194 . 7 1 1 A 19 19 ARG HA H 19 4.200 4.007 0.193 1
1 202 . 7 1 1 A 19 19 ARG CA C 19 57.300 59.152 -1.852 1
1 203 . 7 1 1 A 19 19 ARG CB C 19 30.900 30.463 0.437 1
1 206 . 7 1 1 A 19 19 ARG N N 19 114.300 119.875 -5.575 1
1 208 . 7 1 1 A 20 20 MET H H 20 7.960 7.645 0.315 1
1 209 . 7 1 1 A 20 20 MET HA H 20 4.610 4.325 0.285 1
1 217 . 7 1 1 A 20 20 MET CA C 20 54.100 57.353 -3.253 1
1 218 . 7 1 1 A 20 20 MET CB C 20 31.800 32.535 -0.735 1
1 221 . 7 1 1 A 20 20 MET N N 20 112.400 118.667 -6.267 1
1 222 . 7 1 1 A 21 21 ILE H H 21 6.970 7.559 -0.589 1
1 223 . 7 1 1 A 21 21 ILE HA H 21 4.050 3.885 0.165 1
1 233 . 7 1 1 A 21 21 ILE CA C 21 59.800 62.531 -2.731 1
1 234 . 7 1 1 A 21 21 ILE CB C 21 35.900 36.855 -0.955 1
1 238 . 7 1 1 A 21 21 ILE N N 21 117.900 120.686 -2.786 1
1 239 . 7 1 1 A 22 22 ALA H H 22 7.700 7.592 0.108 1
1 240 . 7 1 1 A 22 22 ALA HA H 22 3.600 4.003 -0.403 1
1 244 . 7 1 1 A 22 22 ALA CA C 22 53.900 52.945 0.955 1
1 245 . 7 1 1 A 22 22 ALA CB C 22 18.000 18.929 -0.929 1
1 246 . 7 1 1 A 22 22 ALA N N 22 123.500 124.146 -0.646 1
1 247 . 7 1 1 A 23 23 GLY H H 23 8.460 7.617 0.843 1
1 248 . 7 1 1 A 23 23 GLY HA2 H 23 3.960 3.933 0.027 1
1 249 . 7 1 1 A 23 23 GLY HA3 H 23 3.820 3.974 -0.154 1
1 250 . 7 1 1 A 23 23 GLY CA C 23 45.600 46.520 -0.920 1
1 251 . 7 1 1 A 23 23 GLY N N 23 109.600 106.731 2.869 1
1 252 . 7 1 1 A 24 24 ARG H H 24 7.830 7.792 0.038 1
1 253 . 7 1 1 A 24 24 ARG HA H 24 4.440 4.682 -0.242 1
1 261 . 7 1 1 A 24 24 ARG CA C 24 56.700 54.926 1.774 1
1 262 . 7 1 1 A 24 24 ARG CB C 24 32.400 30.774 1.626 1
1 265 . 7 1 1 A 24 24 ARG N N 24 118.400 118.539 -0.139 1
1 267 . 7 1 1 A 25 25 TRP H H 25 8.240 8.749 -0.509 1
1 268 . 7 1 1 A 25 25 TRP HA H 25 4.640 4.717 -0.077 1
1 277 . 7 1 1 A 25 25 TRP CA C 25 56.900 58.340 -1.440 1
1 278 . 7 1 1 A 25 25 TRP CB C 25 31.400 30.860 0.540 1
1 284 . 7 1 1 A 25 25 TRP N N 25 121.500 123.448 -1.948 1
1 286 . 7 1 1 A 26 26 LYS H H 26 7.890 6.428 1.462 1
1 287 . 7 1 1 A 26 26 LYS HA H 26 3.910 3.184 0.726 1
1 296 . 7 1 1 A 26 26 LYS CA C 26 56.800 57.681 -0.881 1
1 297 . 7 1 1 A 26 26 LYS CB C 26 32.200 29.971 2.229 1
1 301 . 7 1 1 A 26 26 LYS N N 26 122.500 114.408 8.092 1
1 302 . 7 1 1 A 27 27 HIS H H 27 7.840 8.400 -0.560 1
1 303 . 7 1 1 A 27 27 HIS HA H 27 5.230 5.122 0.108 1
1 307 . 7 1 1 A 27 27 HIS CA C 27 53.200 53.172 0.028 1
1 308 . 7 1 1 A 27 27 HIS CB C 27 28.200 30.087 -1.887 1
1 310 . 7 1 1 A 27 27 HIS N N 27 112.700 116.485 -3.785 1
1 311 . 7 1 1 A 28 28 PRO HA H 28 4.120 4.378 -0.258 1
1 318 . 7 1 1 A 28 28 PRO CA C 28 65.400 66.040 -0.640 1
1 319 . 7 1 1 A 28 28 PRO CB C 28 32.200 31.822 0.378 1
1 322 . 7 1 1 A 29 29 ASN H H 29 8.840 9.064 -0.224 1
1 323 . 7 1 1 A 29 29 ASN HA H 29 4.470 4.510 -0.040 1
1 328 . 7 1 1 A 29 29 ASN CA C 29 56.100 55.583 0.517 1
1 329 . 7 1 1 A 29 29 ASN CB C 29 37.000 37.163 -0.163 1
1 330 . 7 1 1 A 29 29 ASN N N 29 116.300 115.159 1.141 1
1 332 . 7 1 1 A 30 30 ILE H H 30 7.630 7.828 -0.198 1
1 333 . 7 1 1 A 30 30 ILE HA H 30 3.910 3.656 0.254 1
1 343 . 7 1 1 A 30 30 ILE CA C 30 63.700 64.989 -1.289 1
1 344 . 7 1 1 A 30 30 ILE CB C 30 37.300 37.865 -0.565 1
1 348 . 7 1 1 A 30 30 ILE N N 30 121.500 121.526 -0.026 1
1 349 . 7 1 1 A 31 31 VAL H H 31 6.920 8.481 -1.561 1
1 350 . 7 1 1 A 31 31 VAL HA H 31 3.020 3.706 -0.686 1
1 358 . 7 1 1 A 31 31 VAL CA C 31 65.500 65.018 0.482 1
1 359 . 7 1 1 A 31 31 VAL CB C 31 30.900 31.024 -0.124 1
1 362 . 7 1 1 A 31 31 VAL N N 31 119.900 121.092 -1.192 1
1 363 . 7 1 1 A 32 32 ARG H H 32 8.080 8.428 -0.348 1
1 364 . 7 1 1 A 32 32 ARG HA H 32 3.380 3.909 -0.529 1
1 371 . 7 1 1 A 32 32 ARG CA C 32 58.900 59.826 -0.926 1
1 372 . 7 1 1 A 32 32 ARG CB C 32 28.800 29.864 -1.064 1
1 375 . 7 1 1 A 32 32 ARG N N 32 118.900 121.746 -2.846 1
1 376 . 7 1 1 A 33 33 SER H H 33 7.840 7.969 -0.129 1
1 377 . 7 1 1 A 33 33 SER HA H 33 4.130 4.044 0.086 1
1 380 . 7 1 1 A 33 33 SER CA C 33 61.900 62.200 -0.300 1
1 381 . 7 1 1 A 33 33 SER CB C 33 62.700 62.819 -0.119 1
1 382 . 7 1 1 A 33 33 SER N N 33 113.400 116.894 -3.494 1
1 383 . 7 1 1 A 34 34 ARG H H 34 7.610 7.004 0.606 1
1 384 . 7 1 1 A 34 34 ARG HA H 34 4.370 4.269 0.101 1
1 392 . 7 1 1 A 34 34 ARG CA C 34 58.100 58.818 -0.718 1
1 393 . 7 1 1 A 34 34 ARG CB C 34 29.600 30.605 -1.005 1
1 396 . 7 1 1 A 34 34 ARG N N 34 119.900 121.920 -2.020 1
1 398 . 7 1 1 A 35 35 ILE H H 35 8.070 8.344 -0.274 1
1 399 . 7 1 1 A 35 35 ILE HA H 35 3.470 3.616 -0.146 1
1 409 . 7 1 1 A 35 35 ILE CA C 35 65.800 65.433 0.367 1
1 410 . 7 1 1 A 35 35 ILE CB C 35 38.200 38.144 0.056 1
1 414 . 7 1 1 A 35 35 ILE N N 35 118.600 120.615 -2.015 1
1 415 . 7 1 1 A 36 36 GLU H H 36 8.710 8.924 -0.214 1
1 416 . 7 1 1 A 36 36 GLU HA H 36 3.880 4.085 -0.205 1
1 421 . 7 1 1 A 36 36 GLU CA C 36 58.400 58.107 0.293 1
1 422 . 7 1 1 A 36 36 GLU CB C 36 30.000 28.832 1.168 1
1 424 . 7 1 1 A 36 36 GLU N N 36 116.800 120.125 -3.325 1
1 425 . 7 1 1 A 37 37 LYS H H 37 8.550 8.035 0.515 1
1 426 . 7 1 1 A 37 37 LYS HA H 37 4.300 4.416 -0.116 1
1 435 . 7 1 1 A 37 37 LYS CA C 37 57.300 57.834 -0.534 1
1 436 . 7 1 1 A 37 37 LYS CB C 37 33.000 33.662 -0.662 1
1 440 . 7 1 1 A 37 37 LYS N N 37 114.300 119.816 -5.516 1
1 441 . 7 1 1 A 38 38 ASP H H 38 7.480 8.493 -1.013 1
1 442 . 7 1 1 A 38 38 ASP HA H 38 4.970 4.523 0.447 1
1 445 . 7 1 1 A 38 38 ASP CA C 38 55.300 56.797 -1.497 1
1 446 . 7 1 1 A 38 38 ASP CB C 38 42.700 40.977 1.723 1
1 447 . 7 1 1 A 38 38 ASP N N 38 113.900 119.667 -5.767 1
1 448 . 7 1 1 A 39 39 ILE H H 39 7.540 7.240 0.300 1
1 449 . 7 1 1 A 39 39 ILE HA H 39 3.940 4.008 -0.068 1
1 459 . 7 1 1 A 39 39 ILE CA C 39 64.700 63.887 0.813 1
1 460 . 7 1 1 A 39 39 ILE CB C 39 39.000 38.663 0.337 1
1 464 . 7 1 1 A 39 39 ILE N N 39 116.800 118.313 -1.513 1
1 465 . 7 1 1 A 40 40 LYS H H 40 8.840 7.598 1.242 1
1 466 . 7 1 1 A 40 40 LYS HA H 40 3.650 4.698 -1.048 1
1 475 . 7 1 1 A 40 40 LYS CA C 40 50.600 53.793 -3.193 1
1 476 . 7 1 1 A 40 40 LYS CB C 40 30.400 32.802 -2.402 1
1 480 . 7 1 1 A 40 40 LYS N N 40 118.400 121.065 -2.665 1
1 481 . 7 1 1 A 41 41 PRO HA H 41 4.280 4.448 -0.168 1
1 488 . 7 1 1 A 41 41 PRO CA C 41 65.700 65.272 0.428 1
1 489 . 7 1 1 A 41 41 PRO CB C 41 30.700 31.953 -1.253 1
1 492 . 7 1 1 A 42 42 ALA H H 42 6.660 7.838 -1.178 1
1 493 . 7 1 1 A 42 42 ALA HA H 42 4.430 4.525 -0.095 1
1 497 . 7 1 1 A 42 42 ALA CA C 42 53.800 51.712 2.088 1
1 498 . 7 1 1 A 42 42 ALA CB C 42 20.800 20.180 0.620 1
1 499 . 7 1 1 A 42 42 ALA N N 42 115.300 118.180 -2.880 1
1 500 . 7 1 1 A 43 43 ILE H H 43 7.540 7.639 -0.099 1
1 501 . 7 1 1 A 43 43 ILE HA H 43 4.810 4.678 0.132 1
1 511 . 7 1 1 A 43 43 ILE CA C 43 60.600 59.881 0.719 1
1 512 . 7 1 1 A 43 43 ILE CB C 43 41.200 39.680 1.520 1
1 516 . 7 1 1 A 43 43 ILE N N 43 105.000 115.212 -10.212 1
1 517 . 7 1 1 A 44 44 GLY H H 44 8.500 8.787 -0.287 1
1 518 . 7 1 1 A 44 44 GLY HA2 H 44 4.170 4.052 0.118 1
1 519 . 7 1 1 A 44 44 GLY HA3 H 44 3.430 4.053 -0.623 1
1 520 . 7 1 1 A 44 44 GLY CA C 44 47.300 45.272 2.028 1
1 521 . 7 1 1 A 44 44 GLY N N 44 109.600 113.302 -3.702 1
1 522 . 7 1 1 A 45 45 SER H H 45 8.120 8.122 -0.002 1
1 523 . 7 1 1 A 45 45 SER HA H 45 4.440 4.411 0.029 1
1 526 . 7 1 1 A 45 45 SER CA C 45 58.600 58.287 0.313 1
1 527 . 7 1 1 A 45 45 SER CB C 45 63.400 63.275 0.125 1
1 528 . 7 1 1 A 45 45 SER N N 45 110.400 112.872 -2.472 1
1 529 . 7 1 1 A 46 46 LEU H H 46 7.480 7.436 0.044 1
1 530 . 7 1 1 A 46 46 LEU HA H 46 4.180 5.070 -0.890 1
1 540 . 7 1 1 A 46 46 LEU CA C 46 54.800 52.971 1.829 1
1 541 . 7 1 1 A 46 46 LEU CB C 46 41.700 45.906 -4.206 1
1 545 . 7 1 1 A 46 46 LEU N N 46 122.600 117.987 4.613 1
1 546 . 7 1 1 A 47 47 LYS H H 47 8.790 8.638 0.152 1
1 547 . 7 1 1 A 47 47 LYS HA H 47 4.460 4.630 -0.170 1
1 556 . 7 1 1 A 47 47 LYS CA C 47 56.700 54.870 1.830 1
1 557 . 7 1 1 A 47 47 LYS CB C 47 31.100 34.343 -3.243 1
1 561 . 7 1 1 A 47 47 LYS N N 47 120.800 119.504 1.296 1
1 562 . 7 1 1 A 48 48 VAL H H 48 8.600 8.903 -0.303 1
1 563 . 7 1 1 A 48 48 VAL HA H 48 3.470 3.777 -0.307 1
1 571 . 7 1 1 A 48 48 VAL CA C 48 66.900 66.914 -0.014 1
1 572 . 7 1 1 A 48 48 VAL CB C 48 31.000 31.493 -0.493 1
1 575 . 7 1 1 A 48 48 VAL N N 48 123.000 120.933 2.067 1
1 576 . 7 1 1 A 49 49 GLU H H 49 9.360 8.448 0.912 1
1 577 . 7 1 1 A 49 49 GLU HA H 49 4.180 4.191 -0.011 1
1 582 . 7 1 1 A 49 49 GLU CA C 49 57.600 58.395 -0.795 1
1 583 . 7 1 1 A 49 49 GLU CB C 49 28.500 29.483 -0.983 1
1 585 . 7 1 1 A 49 49 GLU N N 49 115.300 119.369 -4.069 1
1 586 . 7 1 1 A 50 50 ASP H H 50 7.840 7.674 0.166 1
1 587 . 7 1 1 A 50 50 ASP HA H 50 4.840 4.504 0.336 1
1 590 . 7 1 1 A 50 50 ASP CA C 50 53.800 55.858 -2.058 1
1 591 . 7 1 1 A 50 50 ASP CB C 50 41.400 40.880 0.520 1
1 592 . 7 1 1 A 50 50 ASP N N 50 118.900 119.172 -0.272 1
1 593 . 7 1 1 A 51 51 VAL H H 51 7.150 7.173 -0.023 1
1 594 . 7 1 1 A 51 51 VAL HA H 51 3.950 3.840 0.110 1
1 602 . 7 1 1 A 51 51 VAL CA C 51 63.700 61.115 2.585 1
1 603 . 7 1 1 A 51 51 VAL CB C 51 30.900 30.288 0.612 1
1 606 . 7 1 1 A 51 51 VAL N N 51 119.900 120.148 -0.248 1
1 607 . 7 1 1 A 52 52 LYS H H 52 11.840 8.447 3.393 1
1 608 . 7 1 1 A 52 52 LYS HA H 52 4.980 4.394 0.586 1
1 617 . 7 1 1 A 52 52 LYS CA C 52 52.800 55.301 -2.501 1
1 618 . 7 1 1 A 52 52 LYS CB C 52 33.100 32.060 1.040 1
1 622 . 7 1 1 A 52 52 LYS N N 52 133.900 128.669 5.231 1
1 623 . 7 1 1 A 53 53 PRO HA H 53 4.370 4.589 -0.219 1
1 630 . 7 1 1 A 53 53 PRO CA C 53 66.600 65.958 0.642 1
1 631 . 7 1 1 A 53 53 PRO CB C 53 31.600 31.964 -0.364 1
1 634 . 7 1 1 A 54 54 ARG H H 54 8.180 8.334 -0.154 1
1 635 . 7 1 1 A 54 54 ARG HA H 54 4.200 4.217 -0.017 1
1 643 . 7 1 1 A 54 54 ARG CA C 54 58.300 58.917 -0.617 1
1 644 . 7 1 1 A 54 54 ARG CB C 54 28.700 29.498 -0.798 1
1 647 . 7 1 1 A 54 54 ARG N N 54 113.800 117.433 -3.633 1
1 649 . 7 1 1 A 55 55 HIS H H 55 7.650 8.303 -0.653 1
1 650 . 7 1 1 A 55 55 HIS HA H 55 4.430 4.446 -0.016 1
1 655 . 7 1 1 A 55 55 HIS CA C 55 60.500 59.032 1.468 1
1 656 . 7 1 1 A 55 55 HIS CB C 55 31.400 29.925 1.475 1
1 659 . 7 1 1 A 55 55 HIS N N 55 118.400 118.040 0.360 1
1 660 . 7 1 1 A 56 56 ILE H H 56 7.280 8.280 -1.000 1
1 661 . 7 1 1 A 56 56 ILE HA H 56 3.480 3.452 0.028 1
1 671 . 7 1 1 A 56 56 ILE CA C 56 61.900 64.661 -2.761 1
1 672 . 7 1 1 A 56 56 ILE CB C 56 33.900 36.879 -2.979 1
1 676 . 7 1 1 A 56 56 ILE N N 56 117.400 119.444 -2.044 1
1 677 . 7 1 1 A 57 57 ASP H H 57 8.010 8.584 -0.574 1
1 678 . 7 1 1 A 57 57 ASP HA H 57 4.220 4.179 0.041 1
1 681 . 7 1 1 A 57 57 ASP CA C 57 57.200 58.008 -0.808 1
1 682 . 7 1 1 A 57 57 ASP CB C 57 40.900 42.222 -1.322 1
1 683 . 7 1 1 A 57 57 ASP N N 57 119.400 122.102 -2.702 1
1 684 . 7 1 1 A 58 58 ASP H H 58 8.000 8.164 -0.164 1
1 685 . 7 1 1 A 58 58 ASP HA H 58 4.380 4.410 -0.030 1
1 688 . 7 1 1 A 58 58 ASP CA C 58 57.600 57.103 0.497 1
1 689 . 7 1 1 A 58 58 ASP CB C 58 39.200 41.180 -1.980 1
1 690 . 7 1 1 A 58 58 ASP N N 58 117.400 119.909 -2.509 1
1 691 . 7 1 1 A 59 59 VAL H H 59 7.800 7.719 0.081 1
1 692 . 7 1 1 A 59 59 VAL HA H 59 3.620 3.793 -0.173 1
1 700 . 7 1 1 A 59 59 VAL CA C 59 66.200 65.741 0.459 1
1 701 . 7 1 1 A 59 59 VAL CB C 59 31.400 31.354 0.046 1
1 704 . 7 1 1 A 59 59 VAL N N 59 121.200 117.245 3.955 1
1 705 . 7 1 1 A 60 60 LEU H H 60 8.030 8.385 -0.355 1
1 706 . 7 1 1 A 60 60 LEU HA H 60 3.870 3.884 -0.014 1
1 716 . 7 1 1 A 60 60 LEU CA C 60 58.000 58.055 -0.055 1
1 717 . 7 1 1 A 60 60 LEU CB C 60 40.300 41.027 -0.727 1
1 721 . 7 1 1 A 60 60 LEU N N 60 118.900 121.771 -2.871 1
1 722 . 7 1 1 A 61 61 LYS H H 61 8.710 7.991 0.719 1
1 723 . 7 1 1 A 61 61 LYS HA H 61 3.920 3.930 -0.010 1
1 732 . 7 1 1 A 61 61 LYS CA C 61 59.600 59.473 0.127 1
1 733 . 7 1 1 A 61 61 LYS CB C 61 32.500 32.358 0.142 1
1 737 . 7 1 1 A 61 61 LYS N N 61 118.300 120.314 -2.014 1
1 738 . 7 1 1 A 62 62 ALA H H 62 7.590 8.144 -0.554 1
1 739 . 7 1 1 A 62 62 ALA HA H 62 4.170 3.967 0.203 1
1 743 . 7 1 1 A 62 62 ALA CA C 62 55.100 54.924 0.176 1
1 744 . 7 1 1 A 62 62 ALA CB C 62 17.900 18.705 -0.805 1
1 745 . 7 1 1 A 62 62 ALA N N 62 121.000 120.859 0.141 1
1 746 . 7 1 1 A 63 63 VAL H H 63 8.090 8.157 -0.067 1
1 747 . 7 1 1 A 63 63 VAL HA H 63 3.710 3.836 -0.126 1
1 755 . 7 1 1 A 63 63 VAL CA C 63 65.700 64.949 0.751 1
1 756 . 7 1 1 A 63 63 VAL CB C 63 31.700 31.437 0.263 1
1 759 . 7 1 1 A 63 63 VAL N N 63 118.000 116.525 1.475 1
1 760 . 7 1 1 A 64 64 MET H H 64 8.360 8.140 0.220 1
1 761 . 7 1 1 A 64 64 MET HA H 64 4.110 4.190 -0.080 1
1 769 . 7 1 1 A 64 64 MET CA C 64 57.600 58.320 -0.720 1
1 770 . 7 1 1 A 64 64 MET CB C 64 31.700 32.150 -0.450 1
1 773 . 7 1 1 A 64 64 MET N N 64 119.400 120.981 -1.581 1
1 774 . 7 1 1 A 65 65 LYS H H 65 7.660 7.837 -0.177 1
1 775 . 7 1 1 A 65 65 LYS HA H 65 4.170 4.036 0.134 1
1 784 . 7 1 1 A 65 65 LYS CA C 65 58.100 59.401 -1.301 1
1 785 . 7 1 1 A 65 65 LYS CB C 65 32.500 32.281 0.219 1
1 789 . 7 1 1 A 65 65 LYS N N 65 118.900 120.555 -1.655 1
1 790 . 7 1 1 A 66 66 ARG H H 66 7.600 8.685 -1.085 1
1 791 . 7 1 1 A 66 66 ARG HA H 66 4.430 4.189 0.241 1
1 799 . 7 1 1 A 66 66 ARG CA C 66 56.600 57.837 -1.237 1
1 800 . 7 1 1 A 66 66 ARG CB C 66 30.400 29.654 0.746 1
1 803 . 7 1 1 A 66 66 ARG N N 66 115.800 118.310 -2.510 1
1 805 . 7 1 1 A 67 67 GLY H H 67 7.830 7.738 0.092 1
1 806 . 7 1 1 A 67 67 GLY HA2 H 67 4.010 4.091 -0.081 1
1 807 . 7 1 1 A 67 67 GLY HA3 H 67 3.980 4.092 -0.112 1
1 808 . 7 1 1 A 67 67 GLY CA C 67 45.700 45.166 0.534 1
1 809 . 7 1 1 A 67 67 GLY N N 67 107.400 109.166 -1.766 1
1 810 . 7 1 1 A 68 68 ALA H H 68 7.730 7.928 -0.198 1
1 811 . 7 1 1 A 68 68 ALA HA H 68 4.980 4.659 0.321 1
1 815 . 7 1 1 A 68 68 ALA CA C 68 49.700 50.055 -0.355 1
1 816 . 7 1 1 A 68 68 ALA CB C 68 18.900 21.832 -2.932 1
1 817 . 7 1 1 A 68 68 ALA N N 68 122.500 122.932 -0.432 1
1 818 . 7 1 1 A 69 69 PRO HA H 69 4.350 4.318 0.032 1
1 825 . 7 1 1 A 69 69 PRO CA C 69 65.400 64.723 0.677 1
1 826 . 7 1 1 A 69 69 PRO CB C 69 31.700 32.131 -0.431 1
1 829 . 7 1 1 A 70 70 SER H H 70 8.430 8.338 0.092 1
1 830 . 7 1 1 A 70 70 SER HA H 70 4.250 4.233 0.017 1
1 833 . 7 1 1 A 70 70 SER CA C 70 61.000 61.603 -0.603 1
1 834 . 7 1 1 A 70 70 SER CB C 70 61.500 62.848 -1.348 1
1 835 . 7 1 1 A 70 70 SER N N 70 112.200 114.161 -1.961 1
1 836 . 7 1 1 A 71 71 ILE H H 71 7.430 8.079 -0.649 1
1 837 . 7 1 1 A 71 71 ILE HA H 71 3.980 3.655 0.325 1
1 847 . 7 1 1 A 71 71 ILE CA C 71 63.100 65.459 -2.359 1
1 848 . 7 1 1 A 71 71 ILE CB C 71 36.700 38.646 -1.946 1
1 852 . 7 1 1 A 71 71 ILE N N 71 122.000 122.001 -0.001 1
1 853 . 7 1 1 A 72 72 ALA H H 72 7.780 8.078 -0.298 1
1 854 . 7 1 1 A 72 72 ALA HA H 72 3.910 4.060 -0.150 1
1 858 . 7 1 1 A 72 72 ALA CA C 72 55.800 55.354 0.446 1
1 859 . 7 1 1 A 72 72 ALA CB C 72 17.900 17.950 -0.050 1
1 860 . 7 1 1 A 72 72 ALA N N 72 126.100 121.866 4.234 1
1 861 . 7 1 1 A 73 73 ASN H H 73 8.180 8.315 -0.135 1
1 862 . 7 1 1 A 73 73 ASN HA H 73 4.410 4.542 -0.132 1
1 867 . 7 1 1 A 73 73 ASN CA C 73 55.900 56.301 -0.401 1
1 868 . 7 1 1 A 73 73 ASN CB C 73 37.800 39.045 -1.245 1
1 869 . 7 1 1 A 73 73 ASN N N 73 116.700 116.402 0.298 1
1 871 . 7 1 1 A 74 74 ASP H H 74 8.120 7.826 0.294 1
1 872 . 7 1 1 A 74 74 ASP HA H 74 4.410 4.378 0.032 1
1 875 . 7 1 1 A 74 74 ASP CA C 74 57.500 57.252 0.248 1
1 876 . 7 1 1 A 74 74 ASP CB C 74 41.400 41.281 0.119 1
1 877 . 7 1 1 A 74 74 ASP N N 74 120.800 119.943 0.857 1
1 878 . 7 1 1 A 75 75 THR H H 75 8.360 8.396 -0.036 1
1 879 . 7 1 1 A 75 75 THR HA H 75 3.750 4.219 -0.469 1
1 884 . 7 1 1 A 75 75 THR CA C 75 68.800 67.584 1.216 1
1 885 . 7 1 1 A 75 75 THR CB C 75 67.700 68.727 -1.027 1
1 887 . 7 1 1 A 75 75 THR N N 75 116.300 116.729 -0.429 1
1 888 . 7 1 1 A 76 76 LEU H H 76 8.160 8.214 -0.054 1
1 889 . 7 1 1 A 76 76 LEU HA H 76 3.980 4.044 -0.064 1
1 899 . 7 1 1 A 76 76 LEU CA C 76 58.000 58.138 -0.138 1
1 900 . 7 1 1 A 76 76 LEU CB C 76 40.500 41.168 -0.668 1
1 904 . 7 1 1 A 76 76 LEU N N 76 121.000 118.387 2.613 1
1 905 . 7 1 1 A 77 77 ARG H H 77 7.810 7.775 0.035 1
1 906 . 7 1 1 A 77 77 ARG HA H 77 3.790 3.889 -0.099 1
1 914 . 7 1 1 A 77 77 ARG CA C 77 60.000 59.374 0.626 1
1 915 . 7 1 1 A 77 77 ARG CB C 77 29.400 29.694 -0.294 1
1 918 . 7 1 1 A 77 77 ARG N N 77 118.400 118.890 -0.490 1
1 920 . 7 1 1 A 78 78 TRP H H 78 7.870 7.917 -0.047 1
1 921 . 7 1 1 A 78 78 TRP HA H 78 4.490 4.566 -0.076 1
1 930 . 7 1 1 A 78 78 TRP CA C 78 60.200 59.965 0.235 1
1 931 . 7 1 1 A 78 78 TRP CB C 78 28.700 29.743 -1.043 1
1 937 . 7 1 1 A 78 78 TRP N N 78 118.300 120.370 -2.070 1
1 939 . 7 1 1 A 79 79 LEU H H 79 8.630 8.388 0.242 1
1 940 . 7 1 1 A 79 79 LEU HA H 79 3.940 3.732 0.208 1
1 950 . 7 1 1 A 79 79 LEU CA C 79 58.200 57.954 0.246 1
1 951 . 7 1 1 A 79 79 LEU CB C 79 42.300 41.508 0.792 1
1 955 . 7 1 1 A 79 79 LEU N N 79 120.200 120.473 -0.273 1
1 956 . 7 1 1 A 80 80 LYS H H 80 8.710 7.997 0.713 1
1 957 . 7 1 1 A 80 80 LYS HA H 80 3.880 4.021 -0.141 1
1 966 . 7 1 1 A 80 80 LYS CA C 80 61.300 59.759 1.541 1
1 967 . 7 1 1 A 80 80 LYS CB C 80 32.300 32.475 -0.175 1
1 971 . 7 1 1 A 80 80 LYS N N 80 118.400 120.180 -1.780 1
1 972 . 7 1 1 A 81 81 ARG H H 81 7.800 7.815 -0.015 1
1 973 . 7 1 1 A 81 81 ARG HA H 81 4.030 4.210 -0.180 1
1 981 . 7 1 1 A 81 81 ARG CA C 81 59.700 59.741 -0.041 1
1 982 . 7 1 1 A 81 81 ARG CB C 81 30.400 30.795 -0.395 1
1 985 . 7 1 1 A 81 81 ARG N N 81 117.400 118.930 -1.530 1
1 987 . 7 1 1 A 82 82 MET H H 82 8.530 7.867 0.663 1
1 988 . 7 1 1 A 82 82 MET HA H 82 3.000 3.653 -0.653 1
1 996 . 7 1 1 A 82 82 MET CA C 82 58.900 58.476 0.424 1
1 997 . 7 1 1 A 82 82 MET CB C 82 32.300 31.235 1.065 1
1 1000 . 7 1 1 A 82 82 MET N N 82 121.400 118.807 2.593 1
1 1001 . 7 1 1 A 83 83 PHE H H 83 8.340 8.223 0.117 1
1 1002 . 7 1 1 A 83 83 PHE HA H 83 4.340 4.273 0.067 1
1 1010 . 7 1 1 A 83 83 PHE CA C 83 61.900 61.533 0.367 1
1 1011 . 7 1 1 A 83 83 PHE CB C 83 38.800 37.850 0.950 1
1 1015 . 7 1 1 A 83 83 PHE N N 83 116.900 117.863 -0.963 1
1 1016 . 7 1 1 A 84 84 ASN H H 84 8.170 8.537 -0.367 1
1 1017 . 7 1 1 A 84 84 ASN HA H 84 4.670 4.516 0.154 1
1 1022 . 7 1 1 A 84 84 ASN CA C 84 55.800 56.166 -0.366 1
1 1023 . 7 1 1 A 84 84 ASN CB C 84 37.500 39.141 -1.641 1
1 1024 . 7 1 1 A 84 84 ASN N N 84 120.500 118.582 1.918 1
1 1026 . 7 1 1 A 85 85 TYR H H 85 7.910 8.014 -0.104 1
1 1027 . 7 1 1 A 85 85 TYR HA H 85 4.320 4.463 -0.143 1
1 1034 . 7 1 1 A 85 85 TYR CA C 85 61.100 60.459 0.641 1
1 1035 . 7 1 1 A 85 85 TYR CB C 85 37.900 37.369 0.531 1
1 1038 . 7 1 1 A 85 85 TYR N N 85 124.000 119.028 4.972 1
1 1039 . 7 1 1 A 86 86 ALA H H 86 7.780 7.804 -0.024 1
1 1040 . 7 1 1 A 86 86 ALA HA H 86 3.670 4.160 -0.490 1
1 1044 . 7 1 1 A 86 86 ALA CA C 86 54.800 55.219 -0.419 1
1 1045 . 7 1 1 A 86 86 ALA CB C 86 18.100 18.255 -0.155 1
1 1046 . 7 1 1 A 86 86 ALA N N 86 120.500 122.676 -2.176 1
1 1047 . 7 1 1 A 87 87 ILE H H 87 7.880 7.592 0.288 1
1 1048 . 7 1 1 A 87 87 ILE HA H 87 4.240 3.840 0.400 1
1 1058 . 7 1 1 A 87 87 ILE CA C 87 63.900 65.095 -1.195 1
1 1059 . 7 1 1 A 87 87 ILE CB C 87 37.900 37.514 0.386 1
1 1063 . 7 1 1 A 87 87 ILE N N 87 120.400 119.099 1.301 1
1 1064 . 7 1 1 A 88 88 LYS H H 88 7.880 8.057 -0.177 1
1 1065 . 7 1 1 A 88 88 LYS HA H 88 3.900 3.758 0.142 1
1 1074 . 7 1 1 A 88 88 LYS CA C 88 58.900 58.729 0.171 1
1 1075 . 7 1 1 A 88 88 LYS CB C 88 31.300 31.829 -0.529 1
1 1079 . 7 1 1 A 88 88 LYS N N 88 124.300 121.484 2.816 1
1 1080 . 7 1 1 A 89 89 ARG H H 89 7.350 7.727 -0.377 1
1 1081 . 7 1 1 A 89 89 ARG HA H 89 4.020 4.342 -0.322 1
1 1088 . 7 1 1 A 89 89 ARG CA C 89 54.600 56.039 -1.439 1
1 1089 . 7 1 1 A 89 89 ARG CB C 89 29.100 30.590 -1.490 1
1 1092 . 7 1 1 A 89 89 ARG N N 89 114.300 116.009 -1.709 1
1 1093 . 7 1 1 A 90 90 HIS H H 90 8.030 8.053 -0.023 1
1 1094 . 7 1 1 A 90 90 HIS HA H 90 4.330 4.294 0.036 1
1 1098 . 7 1 1 A 90 90 HIS CA C 90 56.300 57.102 -0.802 1
1 1099 . 7 1 1 A 90 90 HIS CB C 90 25.200 26.549 -1.349 1
1 1101 . 7 1 1 A 90 90 HIS N N 90 113.200 113.531 -0.331 1
1 1102 . 7 1 1 A 91 91 ILE H H 91 8.370 7.936 0.434 1
1 1103 . 7 1 1 A 91 91 ILE HA H 91 3.830 3.867 -0.037 1
1 1113 . 7 1 1 A 91 91 ILE CA C 91 63.600 63.353 0.247 1
1 1114 . 7 1 1 A 91 91 ILE CB C 91 39.300 38.399 0.901 1
1 1118 . 7 1 1 A 91 91 ILE N N 91 118.400 117.885 0.515 1
1 1119 . 7 1 1 A 92 92 ILE H H 92 6.860 7.042 -0.182 1
1 1120 . 7 1 1 A 92 92 ILE HA H 92 4.570 4.674 -0.104 1
1 1130 . 7 1 1 A 92 92 ILE CA C 92 58.800 58.246 0.554 1
1 1131 . 7 1 1 A 92 92 ILE CB C 92 42.700 41.037 1.663 1
1 1135 . 7 1 1 A 92 92 ILE N N 92 108.600 117.240 -8.640 1
1 1136 . 7 1 1 A 93 93 GLU H H 93 8.690 9.107 -0.417 1
1 1137 . 7 1 1 A 93 93 GLU HA H 93 4.470 4.346 0.124 1
1 1142 . 7 1 1 A 93 93 GLU CA C 93 56.400 57.499 -1.099 1
1 1143 . 7 1 1 A 93 93 GLU CB C 93 31.200 31.863 -0.663 1
1 1145 . 7 1 1 A 93 93 GLU N N 93 116.800 121.879 -5.079 1
1 1146 . 7 1 1 A 94 94 TYR H H 94 7.420 7.856 -0.436 1
1 1147 . 7 1 1 A 94 94 TYR HA H 94 4.710 5.167 -0.457 1
1 1154 . 7 1 1 A 94 94 TYR CA C 94 55.800 56.894 -1.094 1
1 1155 . 7 1 1 A 94 94 TYR CB C 94 40.600 41.129 -0.529 1
1 1158 . 7 1 1 A 94 94 TYR N N 94 117.900 116.547 1.353 1
1 1159 . 7 1 1 A 95 95 ASN H H 95 8.960 8.811 0.149 1
1 1160 . 7 1 1 A 95 95 ASN HA H 95 4.550 5.070 -0.520 1
1 1165 . 7 1 1 A 95 95 ASN CA C 95 49.700 50.935 -1.235 1
1 1166 . 7 1 1 A 95 95 ASN CB C 95 39.200 39.305 -0.105 1
1 1167 . 7 1 1 A 95 95 ASN N N 95 122.500 120.819 1.681 1
1 1169 . 7 1 1 A 96 96 PRO HA H 96 4.300 4.414 -0.114 1
1 1176 . 7 1 1 A 96 96 PRO CA C 96 64.000 64.189 -0.189 1
1 1177 . 7 1 1 A 96 96 PRO CB C 96 31.100 31.711 -0.611 1
1 1180 . 7 1 1 A 97 97 ALA H H 97 8.090 7.941 0.149 1
1 1181 . 7 1 1 A 97 97 ALA HA H 97 4.540 4.744 -0.204 1
1 1185 . 7 1 1 A 97 97 ALA CA C 97 51.200 52.798 -1.598 1
1 1186 . 7 1 1 A 97 97 ALA CB C 97 18.900 19.050 -0.150 1
1 1187 . 7 1 1 A 97 97 ALA N N 97 118.400 120.029 -1.629 1
1 1188 . 7 1 1 A 98 98 ALA H H 98 7.330 7.579 -0.249 1
1 1189 . 7 1 1 A 98 98 ALA HA H 98 3.990 4.045 -0.055 1
1 1193 . 7 1 1 A 98 98 ALA CA C 98 54.700 54.844 -0.144 1
1 1194 . 7 1 1 A 98 98 ALA CB C 98 18.900 18.234 0.666 1
1 1195 . 7 1 1 A 98 98 ALA N N 98 120.500 121.584 -1.084 1
1 1196 . 7 1 1 A 99 99 ALA H H 99 8.020 7.581 0.439 1
1 1197 . 7 1 1 A 99 99 ALA HA H 99 4.180 4.034 0.146 1
1 1201 . 7 1 1 A 99 99 ALA CA C 99 52.500 52.961 -0.461 1
1 1202 . 7 1 1 A 99 99 ALA CB C 99 18.200 18.777 -0.577 1
1 1203 . 7 1 1 A 99 99 ALA N N 99 117.400 118.879 -1.479 1
1 1204 . 7 1 1 A 100 100 PHE H H 100 7.320 7.850 -0.530 1
1 1205 . 7 1 1 A 100 100 PHE HA H 100 4.360 4.828 -0.468 1
1 1210 . 7 1 1 A 100 100 PHE CA C 100 57.700 57.249 0.451 1
1 1211 . 7 1 1 A 100 100 PHE CB C 100 40.500 39.409 1.091 1
1 1213 . 7 1 1 A 100 100 PHE N N 100 117.400 117.115 0.285 1
1 1214 . 7 1 1 A 101 101 ASP H H 101 8.520 7.951 0.569 1
1 1215 . 7 1 1 A 101 101 ASP HA H 101 4.910 4.975 -0.065 1
1 1218 . 7 1 1 A 101 101 ASP CA C 101 51.400 50.993 0.407 1
1 1219 . 7 1 1 A 101 101 ASP CB C 101 41.400 42.242 -0.842 1
1 1220 . 7 1 1 A 101 101 ASP N N 101 122.600 123.013 -0.413 1
1 1221 . 7 1 1 A 102 102 PRO HA H 102 4.350 4.455 -0.105 1
1 1228 . 7 1 1 A 102 102 PRO CA C 102 63.400 64.033 -0.633 1
1 1229 . 7 1 1 A 102 102 PRO CB C 102 31.900 31.982 -0.082 1
1 1232 . 7 1 1 A 103 103 GLY H H 103 8.440 8.172 0.268 1
1 1233 . 7 1 1 A 103 103 GLY HA2 H 103 3.890 3.919 -0.029 1
1 1234 . 7 1 1 A 103 103 GLY HA3 H 103 3.860 3.926 -0.066 1
1 1235 . 7 1 1 A 103 103 GLY CA C 103 45.100 45.730 -0.630 1
1 1236 . 7 1 1 A 103 103 GLY N N 103 108.300 109.749 -1.449 1
1 1237 . 7 1 1 A 104 104 ASP H H 104 8.100 8.089 0.011 1
1 1238 . 7 1 1 A 104 104 ASP HA H 104 4.620 4.743 -0.123 1
1 1241 . 7 1 1 A 104 104 ASP CA C 104 53.900 53.532 0.368 1
1 1242 . 7 1 1 A 104 104 ASP CB C 104 40.700 40.296 0.404 1
1 1243 . 7 1 1 A 104 104 ASP N N 104 120.100 122.059 -1.959 1
1 1244 . 7 1 1 A 105 105 ALA H H 105 8.360 7.854 0.506 1
1 1245 . 7 1 1 A 105 105 ALA HA H 105 4.270 4.848 -0.578 1
1 1249 . 7 1 1 A 105 105 ALA CA C 105 52.900 50.547 2.353 1
1 1250 . 7 1 1 A 105 105 ALA CB C 105 18.800 23.109 -4.309 1
1 1251 . 7 1 1 A 105 105 ALA N N 105 124.600 127.208 -2.608 1
1 1252 . 7 1 1 A 106 106 GLY H H 106 8.470 8.559 -0.089 1
1 1253 . 7 1 1 A 106 106 GLY HA2 H 106 3.930 4.191 -0.261 1
1 1254 . 7 1 1 A 106 106 GLY HA3 H 106 3.910 4.193 -0.283 1
1 1255 . 7 1 1 A 106 106 GLY CA C 106 45.400 45.408 -0.008 1
1 1256 . 7 1 1 A 106 106 GLY N N 106 107.500 110.077 -2.577 1
1 1257 . 7 1 1 A 107 107 GLY H H 107 8.170 8.181 -0.011 1
1 1258 . 7 1 1 A 107 107 GLY HA2 H 107 3.950 4.026 -0.076 1
1 1259 . 7 1 1 A 107 107 GLY HA3 H 107 3.940 4.028 -0.088 1
1 1260 . 7 1 1 A 107 107 GLY CA C 107 45.300 44.964 0.336 1
1 1261 . 7 1 1 A 107 107 GLY N N 107 108.600 108.188 0.412 1
1 1262 . 7 1 1 A 108 108 LYS H H 108 8.160 7.617 0.543 1
1 1263 . 7 1 1 A 108 108 LYS HA H 108 4.260 4.339 -0.079 1
1 1272 . 7 1 1 A 108 108 LYS CA C 108 56.500 56.522 -0.022 1
1 1273 . 7 1 1 A 108 108 LYS CB C 108 32.800 33.816 -1.016 1
1 1277 . 7 1 1 A 108 108 LYS N N 108 120.500 120.337 0.163 1
1 1278 . 7 1 1 A 109 109 LEU H H 109 8.220 8.881 -0.661 1
1 1279 . 7 1 1 A 109 109 LEU HA H 109 4.260 5.312 -1.052 1
1 1289 . 7 1 1 A 109 109 LEU CA C 109 55.000 52.514 2.486 1
1 1290 . 7 1 1 A 109 109 LEU CB C 109 41.900 45.714 -3.814 1
1 1294 . 7 1 1 A 109 109 LEU N N 109 122.200 119.125 3.075 1
1 1295 . 7 1 1 A 110 110 GLU H H 110 8.160 8.838 -0.678 1
1 1296 . 7 1 1 A 110 110 GLU HA H 110 4.190 4.984 -0.794 1
1 1301 . 7 1 1 A 110 110 GLU CA C 110 56.000 54.875 1.125 1
1 1302 . 7 1 1 A 110 110 GLU CB C 110 29.900 33.437 -3.537 1
1 1304 . 7 1 1 A 110 110 GLU N N 110 121.000 119.370 1.630 1
1 1305 . 7 1 1 A 111 111 HIS H H 111 8.460 8.634 -0.174 1
1 1306 . 7 1 1 A 111 111 HIS HA H 111 4.630 4.831 -0.201 1
1 1309 . 7 1 1 A 111 111 HIS CA C 111 54.900 53.843 1.057 1
1 1310 . 7 1 1 A 111 111 HIS CB C 111 28.700 29.400 -0.700 1
1 1311 . 7 1 1 A 111 111 HIS N N 111 118.900 120.163 -1.263 1
1 1312 . 7 1 1 A 112 112 HIS H H 112 8.540 8.441 0.099 1
1 1313 . 7 1 1 A 112 112 HIS HA H 112 4.640 4.193 0.447 1
1 1316 . 7 1 1 A 112 112 HIS CA C 112 55.100 57.368 -2.268 1
1 1317 . 7 1 1 A 112 112 HIS CB C 112 28.900 30.159 -1.259 1
1 1318 . 7 1 1 A 112 112 HIS N N 112 119.100 121.299 -2.199 1
1 1319 . 7 1 1 A 113 113 HIS H H 113 8.630 8.434 0.196 1
1 1320 . 7 1 1 A 113 113 HIS HA H 113 4.670 5.010 -0.340 1
1 1323 . 7 1 1 A 113 113 HIS CA C 113 55.200 54.754 0.446 1
1 1324 . 7 1 1 A 113 113 HIS CB C 113 28.900 32.304 -3.404 1
1 1325 . 7 1 1 A 113 113 HIS N N 113 119.400 120.240 -0.840 1
1 1326 . 7 1 1 A 114 114 HIS H H 114 8.670 9.357 -0.687 1
1 1327 . 7 1 1 A 114 114 HIS HA H 114 4.670 4.129 0.541 1
1 1330 . 7 1 1 A 114 114 HIS CA C 114 55.200 57.008 -1.808 1
1 1331 . 7 1 1 A 114 114 HIS CB C 114 29.100 28.374 0.726 1
1 1332 . 7 1 1 A 114 114 HIS N N 114 120.400 118.778 1.622 1
1 1333 . 7 1 1 A 115 115 HIS H H 115 8.560 7.935 0.625 1
1 1334 . 7 1 1 A 115 115 HIS HA H 115 4.660 4.669 -0.009 1
1 1337 . 7 1 1 A 115 115 HIS CA C 115 55.300 55.946 -0.646 1
1 1338 . 7 1 1 A 115 115 HIS CB C 115 29.300 32.883 -3.583 1
1 1339 . 7 1 1 A 115 115 HIS N N 115 120.600 120.206 0.394 1
1 5 . 8 1 1 A 2 2 ALA H H 2 8.190 7.755 0.435 1
1 6 . 8 1 1 A 2 2 ALA HA H 2 4.510 4.585 -0.075 1
1 10 . 8 1 1 A 2 2 ALA CA C 2 51.900 51.104 0.796 1
1 11 . 8 1 1 A 2 2 ALA CB C 2 19.500 19.793 -0.293 1
1 12 . 8 1 1 A 2 2 ALA N N 2 124.100 121.522 2.578 1
1 13 . 8 1 1 A 3 3 GLU H H 3 8.740 8.738 0.002 1
1 14 . 8 1 1 A 3 3 GLU HA H 3 4.380 4.100 0.280 1
1 19 . 8 1 1 A 3 3 GLU CA C 3 56.000 58.762 -2.762 1
1 20 . 8 1 1 A 3 3 GLU CB C 3 29.900 28.468 1.432 1
1 22 . 8 1 1 A 3 3 GLU N N 3 120.700 121.836 -1.136 1
1 23 . 8 1 1 A 4 4 LYS H H 4 8.580 8.769 -0.189 1
1 24 . 8 1 1 A 4 4 LYS HA H 4 4.280 4.160 0.120 1
1 33 . 8 1 1 A 4 4 LYS CA C 4 56.600 58.148 -1.548 1
1 34 . 8 1 1 A 4 4 LYS CB C 4 32.600 32.470 0.130 1
1 38 . 8 1 1 A 4 4 LYS N N 4 122.500 121.566 0.934 1
1 39 . 8 1 1 A 5 5 ASN H H 5 8.560 7.810 0.750 1
1 40 . 8 1 1 A 5 5 ASN HA H 5 4.700 4.989 -0.289 1
1 45 . 8 1 1 A 5 5 ASN CA C 5 53.200 53.173 0.027 1
1 46 . 8 1 1 A 5 5 ASN CB C 5 38.900 38.485 0.415 1
1 47 . 8 1 1 A 5 5 ASN N N 5 119.500 117.460 2.040 1
1 49 . 8 1 1 A 6 6 ALA H H 6 8.210 8.330 -0.120 1
1 50 . 8 1 1 A 6 6 ALA HA H 6 4.520 4.523 -0.003 1
1 54 . 8 1 1 A 6 6 ALA CA C 6 51.800 51.582 0.218 1
1 55 . 8 1 1 A 6 6 ALA CB C 6 19.600 18.925 0.675 1
1 56 . 8 1 1 A 6 6 ALA N N 6 124.100 126.787 -2.687 1
1 57 . 8 1 1 A 7 7 TYR H H 7 8.740 7.965 0.775 1
1 58 . 8 1 1 A 7 7 TYR HA H 7 4.700 5.307 -0.607 1
1 65 . 8 1 1 A 7 7 TYR CA C 7 58.900 55.755 3.145 1
1 66 . 8 1 1 A 7 7 TYR CB C 7 40.300 41.408 -1.108 1
1 69 . 8 1 1 A 7 7 TYR N N 7 121.400 119.850 1.550 1
1 70 . 8 1 1 A 8 8 THR H H 8 8.170 8.713 -0.543 1
1 71 . 8 1 1 A 8 8 THR HA H 8 5.220 4.511 0.709 1
1 76 . 8 1 1 A 8 8 THR CA C 8 59.800 62.430 -2.630 1
1 77 . 8 1 1 A 8 8 THR CB C 8 71.600 69.645 1.955 1
1 79 . 8 1 1 A 8 8 THR N N 8 113.700 116.386 -2.686 1
1 80 . 8 1 1 A 9 9 VAL H H 9 8.990 8.959 0.031 1
1 81 . 8 1 1 A 9 9 VAL HA H 9 3.370 4.025 -0.655 1
1 89 . 8 1 1 A 9 9 VAL CA C 9 66.700 64.793 1.907 1
1 90 . 8 1 1 A 9 9 VAL CB C 9 30.200 31.856 -1.656 1
1 93 . 8 1 1 A 9 9 VAL N N 9 121.400 126.334 -4.934 1
1 94 . 8 1 1 A 10 10 ALA H H 10 9.340 8.333 1.007 1
1 95 . 8 1 1 A 10 10 ALA HA H 10 3.720 4.017 -0.297 1
1 99 . 8 1 1 A 10 10 ALA CA C 10 55.800 55.682 0.118 1
1 100 . 8 1 1 A 10 10 ALA CB C 10 18.200 18.274 -0.074 1
1 101 . 8 1 1 A 10 10 ALA N N 10 122.000 123.656 -1.656 1
1 102 . 8 1 1 A 11 11 GLN H H 11 7.330 7.774 -0.444 1
1 103 . 8 1 1 A 11 11 GLN HA H 11 4.050 4.117 -0.067 1
1 110 . 8 1 1 A 11 11 GLN CA C 11 58.400 58.551 -0.151 1
1 111 . 8 1 1 A 11 11 GLN CB C 11 28.700 28.443 0.257 1
1 113 . 8 1 1 A 11 11 GLN N N 11 115.300 117.834 -2.534 1
1 115 . 8 1 1 A 12 12 LEU H H 12 8.510 8.024 0.486 1
1 116 . 8 1 1 A 12 12 LEU HA H 12 4.200 4.305 -0.105 1
1 126 . 8 1 1 A 12 12 LEU CA C 12 57.600 58.132 -0.532 1
1 127 . 8 1 1 A 12 12 LEU CB C 12 41.700 41.826 -0.126 1
1 131 . 8 1 1 A 12 12 LEU N N 12 121.500 122.648 -1.148 1
1 132 . 8 1 1 A 13 13 ALA H H 13 9.160 8.835 0.325 1
1 133 . 8 1 1 A 13 13 ALA HA H 13 3.990 4.174 -0.184 1
1 137 . 8 1 1 A 13 13 ALA CA C 13 55.400 55.164 0.236 1
1 138 . 8 1 1 A 13 13 ALA CB C 13 17.700 18.141 -0.441 1
1 139 . 8 1 1 A 13 13 ALA N N 13 121.000 120.897 0.103 1
1 140 . 8 1 1 A 14 14 ASP H H 14 7.920 8.155 -0.235 1
1 141 . 8 1 1 A 14 14 ASP HA H 14 4.480 4.337 0.143 1
1 144 . 8 1 1 A 14 14 ASP CA C 14 57.200 57.820 -0.620 1
1 145 . 8 1 1 A 14 14 ASP CB C 14 39.500 41.667 -2.167 1
1 146 . 8 1 1 A 14 14 ASP N N 14 117.400 119.035 -1.635 1
1 147 . 8 1 1 A 15 15 GLU H H 15 8.210 7.857 0.353 1
1 148 . 8 1 1 A 15 15 GLU HA H 15 4.110 4.076 0.034 1
1 153 . 8 1 1 A 15 15 GLU CA C 15 59.800 59.189 0.611 1
1 154 . 8 1 1 A 15 15 GLU CB C 15 30.100 29.047 1.053 1
1 156 . 8 1 1 A 15 15 GLU N N 15 122.500 119.745 2.755 1
1 157 . 8 1 1 A 16 16 TYR H H 16 9.230 8.304 0.926 1
1 158 . 8 1 1 A 16 16 TYR HA H 16 3.180 4.044 -0.864 1
1 165 . 8 1 1 A 16 16 TYR CA C 16 61.100 61.461 -0.361 1
1 166 . 8 1 1 A 16 16 TYR CB C 16 38.300 38.401 -0.101 1
1 169 . 8 1 1 A 16 16 TYR N N 16 119.400 121.095 -1.695 1
1 170 . 8 1 1 A 17 17 PHE H H 17 8.700 8.437 0.263 1
1 171 . 8 1 1 A 17 17 PHE HA H 17 3.480 4.114 -0.634 1
1 178 . 8 1 1 A 17 17 PHE CA C 17 61.600 61.462 0.138 1
1 179 . 8 1 1 A 17 17 PHE CB C 17 39.300 39.107 0.193 1
1 182 . 8 1 1 A 17 17 PHE N N 17 118.400 121.115 -2.715 1
1 183 . 8 1 1 A 18 18 GLU H H 18 8.280 8.151 0.129 1
1 184 . 8 1 1 A 18 18 GLU HA H 18 3.840 3.959 -0.119 1
1 189 . 8 1 1 A 18 18 GLU CA C 18 58.800 59.791 -0.991 1
1 190 . 8 1 1 A 18 18 GLU CB C 18 29.000 29.108 -0.108 1
1 192 . 8 1 1 A 18 18 GLU N N 18 118.500 117.918 0.582 1
1 193 . 8 1 1 A 19 19 ARG H H 19 8.350 7.693 0.657 1
1 194 . 8 1 1 A 19 19 ARG HA H 19 4.200 3.932 0.268 1
1 202 . 8 1 1 A 19 19 ARG CA C 19 57.300 59.334 -2.034 1
1 203 . 8 1 1 A 19 19 ARG CB C 19 30.900 30.323 0.577 1
1 206 . 8 1 1 A 19 19 ARG N N 19 114.300 120.280 -5.980 1
1 208 . 8 1 1 A 20 20 MET H H 20 7.960 7.824 0.136 1
1 209 . 8 1 1 A 20 20 MET HA H 20 4.610 4.202 0.408 1
1 217 . 8 1 1 A 20 20 MET CA C 20 54.100 57.181 -3.081 1
1 218 . 8 1 1 A 20 20 MET CB C 20 31.800 32.486 -0.686 1
1 221 . 8 1 1 A 20 20 MET N N 20 112.400 118.075 -5.675 1
1 222 . 8 1 1 A 21 21 ILE H H 21 6.970 7.461 -0.491 1
1 223 . 8 1 1 A 21 21 ILE HA H 21 4.050 3.917 0.133 1
1 233 . 8 1 1 A 21 21 ILE CA C 21 59.800 63.254 -3.454 1
1 234 . 8 1 1 A 21 21 ILE CB C 21 35.900 37.551 -1.651 1
1 238 . 8 1 1 A 21 21 ILE N N 21 117.900 117.895 0.005 1
1 239 . 8 1 1 A 22 22 ALA H H 22 7.700 7.370 0.330 1
1 240 . 8 1 1 A 22 22 ALA HA H 22 3.600 3.979 -0.379 1
1 244 . 8 1 1 A 22 22 ALA CA C 22 53.900 52.361 1.539 1
1 245 . 8 1 1 A 22 22 ALA CB C 22 18.000 18.249 -0.249 1
1 246 . 8 1 1 A 22 22 ALA N N 22 123.500 123.050 0.450 1
1 247 . 8 1 1 A 23 23 GLY H H 23 8.460 7.901 0.559 1
1 248 . 8 1 1 A 23 23 GLY HA2 H 23 3.960 4.264 -0.304 1
1 249 . 8 1 1 A 23 23 GLY HA3 H 23 3.820 4.300 -0.480 1
1 250 . 8 1 1 A 23 23 GLY CA C 23 45.600 46.114 -0.514 1
1 251 . 8 1 1 A 23 23 GLY N N 23 109.600 110.400 -0.800 1
1 252 . 8 1 1 A 24 24 ARG H H 24 7.830 8.515 -0.685 1
1 253 . 8 1 1 A 24 24 ARG HA H 24 4.440 4.700 -0.260 1
1 261 . 8 1 1 A 24 24 ARG CA C 24 56.700 55.175 1.525 1
1 262 . 8 1 1 A 24 24 ARG CB C 24 32.400 32.098 0.302 1
1 265 . 8 1 1 A 24 24 ARG N N 24 118.400 122.272 -3.872 1
1 267 . 8 1 1 A 25 25 TRP H H 25 8.240 8.400 -0.160 1
1 268 . 8 1 1 A 25 25 TRP HA H 25 4.640 4.781 -0.141 1
1 277 . 8 1 1 A 25 25 TRP CA C 25 56.900 57.020 -0.120 1
1 278 . 8 1 1 A 25 25 TRP CB C 25 31.400 31.141 0.259 1
1 284 . 8 1 1 A 25 25 TRP N N 25 121.500 125.633 -4.133 1
1 286 . 8 1 1 A 26 26 LYS H H 26 7.890 6.797 1.093 1
1 287 . 8 1 1 A 26 26 LYS HA H 26 3.910 3.640 0.270 1
1 296 . 8 1 1 A 26 26 LYS CA C 26 56.800 57.631 -0.831 1
1 297 . 8 1 1 A 26 26 LYS CB C 26 32.200 32.092 0.108 1
1 301 . 8 1 1 A 26 26 LYS N N 26 122.500 119.778 2.722 1
1 302 . 8 1 1 A 27 27 HIS H H 27 7.840 7.545 0.295 1
1 303 . 8 1 1 A 27 27 HIS HA H 27 5.230 4.961 0.269 1
1 307 . 8 1 1 A 27 27 HIS CA C 27 53.200 52.818 0.382 1
1 308 . 8 1 1 A 27 27 HIS CB C 27 28.200 29.603 -1.403 1
1 310 . 8 1 1 A 27 27 HIS N N 27 112.700 113.513 -0.813 1
1 311 . 8 1 1 A 28 28 PRO HA H 28 4.120 4.542 -0.422 1
1 318 . 8 1 1 A 28 28 PRO CA C 28 65.400 65.126 0.274 1
1 319 . 8 1 1 A 28 28 PRO CB C 28 32.200 32.310 -0.110 1
1 322 . 8 1 1 A 29 29 ASN H H 29 8.840 8.911 -0.071 1
1 323 . 8 1 1 A 29 29 ASN HA H 29 4.470 4.582 -0.112 1
1 328 . 8 1 1 A 29 29 ASN CA C 29 56.100 55.886 0.214 1
1 329 . 8 1 1 A 29 29 ASN CB C 29 37.000 37.794 -0.794 1
1 330 . 8 1 1 A 29 29 ASN N N 29 116.300 114.509 1.791 1
1 332 . 8 1 1 A 30 30 ILE H H 30 7.630 8.045 -0.415 1
1 333 . 8 1 1 A 30 30 ILE HA H 30 3.910 3.643 0.267 1
1 343 . 8 1 1 A 30 30 ILE CA C 30 63.700 65.098 -1.398 1
1 344 . 8 1 1 A 30 30 ILE CB C 30 37.300 37.831 -0.531 1
1 348 . 8 1 1 A 30 30 ILE N N 30 121.500 120.914 0.586 1
1 349 . 8 1 1 A 31 31 VAL H H 31 6.920 8.012 -1.092 1
1 350 . 8 1 1 A 31 31 VAL HA H 31 3.020 3.802 -0.782 1
1 358 . 8 1 1 A 31 31 VAL CA C 31 65.500 65.130 0.370 1
1 359 . 8 1 1 A 31 31 VAL CB C 31 30.900 31.369 -0.469 1
1 362 . 8 1 1 A 31 31 VAL N N 31 119.900 121.319 -1.419 1
1 363 . 8 1 1 A 32 32 ARG H H 32 8.080 8.200 -0.120 1
1 364 . 8 1 1 A 32 32 ARG HA H 32 3.380 4.173 -0.793 1
1 371 . 8 1 1 A 32 32 ARG CA C 32 58.900 60.032 -1.132 1
1 372 . 8 1 1 A 32 32 ARG CB C 32 28.800 29.927 -1.127 1
1 375 . 8 1 1 A 32 32 ARG N N 32 118.900 121.872 -2.972 1
1 376 . 8 1 1 A 33 33 SER H H 33 7.840 8.302 -0.462 1
1 377 . 8 1 1 A 33 33 SER HA H 33 4.130 4.083 0.047 1
1 380 . 8 1 1 A 33 33 SER CA C 33 61.900 62.179 -0.279 1
1 381 . 8 1 1 A 33 33 SER CB C 33 62.700 62.819 -0.119 1
1 382 . 8 1 1 A 33 33 SER N N 33 113.400 117.130 -3.730 1
1 383 . 8 1 1 A 34 34 ARG H H 34 7.610 7.902 -0.292 1
1 384 . 8 1 1 A 34 34 ARG HA H 34 4.370 4.063 0.307 1
1 392 . 8 1 1 A 34 34 ARG CA C 34 58.100 58.990 -0.890 1
1 393 . 8 1 1 A 34 34 ARG CB C 34 29.600 29.708 -0.108 1
1 396 . 8 1 1 A 34 34 ARG N N 34 119.900 121.718 -1.818 1
1 398 . 8 1 1 A 35 35 ILE H H 35 8.070 8.346 -0.276 1
1 399 . 8 1 1 A 35 35 ILE HA H 35 3.470 3.693 -0.223 1
1 409 . 8 1 1 A 35 35 ILE CA C 35 65.800 65.464 0.336 1
1 410 . 8 1 1 A 35 35 ILE CB C 35 38.200 38.081 0.119 1
1 414 . 8 1 1 A 35 35 ILE N N 35 118.600 120.311 -1.711 1
1 415 . 8 1 1 A 36 36 GLU H H 36 8.710 8.136 0.574 1
1 416 . 8 1 1 A 36 36 GLU HA H 36 3.880 4.279 -0.399 1
1 421 . 8 1 1 A 36 36 GLU CA C 36 58.400 58.340 0.060 1
1 422 . 8 1 1 A 36 36 GLU CB C 36 30.000 29.273 0.727 1
1 424 . 8 1 1 A 36 36 GLU N N 36 116.800 117.513 -0.713 1
1 425 . 8 1 1 A 37 37 LYS H H 37 8.550 7.792 0.758 1
1 426 . 8 1 1 A 37 37 LYS HA H 37 4.300 4.436 -0.136 1
1 435 . 8 1 1 A 37 37 LYS CA C 37 57.300 57.785 -0.485 1
1 436 . 8 1 1 A 37 37 LYS CB C 37 33.000 33.811 -0.811 1
1 440 . 8 1 1 A 37 37 LYS N N 37 114.300 120.601 -6.301 1
1 441 . 8 1 1 A 38 38 ASP H H 38 7.480 8.509 -1.029 1
1 442 . 8 1 1 A 38 38 ASP HA H 38 4.970 4.570 0.400 1
1 445 . 8 1 1 A 38 38 ASP CA C 38 55.300 56.131 -0.831 1
1 446 . 8 1 1 A 38 38 ASP CB C 38 42.700 41.318 1.382 1
1 447 . 8 1 1 A 38 38 ASP N N 38 113.900 118.794 -4.894 1
1 448 . 8 1 1 A 39 39 ILE H H 39 7.540 7.292 0.248 1
1 449 . 8 1 1 A 39 39 ILE HA H 39 3.940 4.070 -0.130 1
1 459 . 8 1 1 A 39 39 ILE CA C 39 64.700 64.053 0.647 1
1 460 . 8 1 1 A 39 39 ILE CB C 39 39.000 39.013 -0.013 1
1 464 . 8 1 1 A 39 39 ILE N N 39 116.800 118.363 -1.563 1
1 465 . 8 1 1 A 40 40 LYS H H 40 8.840 8.083 0.757 1
1 466 . 8 1 1 A 40 40 LYS HA H 40 3.650 4.654 -1.004 1
1 475 . 8 1 1 A 40 40 LYS CA C 40 50.600 53.849 -3.249 1
1 476 . 8 1 1 A 40 40 LYS CB C 40 30.400 32.535 -2.135 1
1 480 . 8 1 1 A 40 40 LYS N N 40 118.400 118.386 0.014 1
1 481 . 8 1 1 A 41 41 PRO HA H 41 4.280 4.418 -0.138 1
1 488 . 8 1 1 A 41 41 PRO CA C 41 65.700 65.482 0.218 1
1 489 . 8 1 1 A 41 41 PRO CB C 41 30.700 31.957 -1.257 1
1 492 . 8 1 1 A 42 42 ALA H H 42 6.660 8.232 -1.572 1
1 493 . 8 1 1 A 42 42 ALA HA H 42 4.430 4.533 -0.103 1
1 497 . 8 1 1 A 42 42 ALA CA C 42 53.800 51.577 2.223 1
1 498 . 8 1 1 A 42 42 ALA CB C 42 20.800 20.388 0.412 1
1 499 . 8 1 1 A 42 42 ALA N N 42 115.300 118.092 -2.792 1
1 500 . 8 1 1 A 43 43 ILE H H 43 7.540 7.691 -0.151 1
1 501 . 8 1 1 A 43 43 ILE HA H 43 4.810 4.495 0.315 1
1 511 . 8 1 1 A 43 43 ILE CA C 43 60.600 59.751 0.849 1
1 512 . 8 1 1 A 43 43 ILE CB C 43 41.200 37.841 3.359 1
1 516 . 8 1 1 A 43 43 ILE N N 43 105.000 115.223 -10.223 1
1 517 . 8 1 1 A 44 44 GLY H H 44 8.500 8.516 -0.016 1
1 518 . 8 1 1 A 44 44 GLY HA2 H 44 4.170 3.989 0.181 1
1 519 . 8 1 1 A 44 44 GLY HA3 H 44 3.430 4.003 -0.573 1
1 520 . 8 1 1 A 44 44 GLY CA C 44 47.300 45.999 1.301 1
1 521 . 8 1 1 A 44 44 GLY N N 44 109.600 111.648 -2.048 1
1 522 . 8 1 1 A 45 45 SER H H 45 8.120 7.844 0.276 1
1 523 . 8 1 1 A 45 45 SER HA H 45 4.440 4.649 -0.209 1
1 526 . 8 1 1 A 45 45 SER CA C 45 58.600 58.444 0.156 1
1 527 . 8 1 1 A 45 45 SER CB C 45 63.400 63.546 -0.146 1
1 528 . 8 1 1 A 45 45 SER N N 45 110.400 114.580 -4.180 1
1 529 . 8 1 1 A 46 46 LEU H H 46 7.480 7.470 0.010 1
1 530 . 8 1 1 A 46 46 LEU HA H 46 4.180 4.673 -0.493 1
1 540 . 8 1 1 A 46 46 LEU CA C 46 54.800 54.725 0.075 1
1 541 . 8 1 1 A 46 46 LEU CB C 46 41.700 43.974 -2.274 1
1 545 . 8 1 1 A 46 46 LEU N N 46 122.600 123.756 -1.156 1
1 546 . 8 1 1 A 47 47 LYS H H 47 8.790 8.809 -0.019 1
1 547 . 8 1 1 A 47 47 LYS HA H 47 4.460 4.359 0.101 1
1 556 . 8 1 1 A 47 47 LYS CA C 47 56.700 56.474 0.226 1
1 557 . 8 1 1 A 47 47 LYS CB C 47 31.100 32.949 -1.849 1
1 561 . 8 1 1 A 47 47 LYS N N 47 120.800 125.909 -5.109 1
1 562 . 8 1 1 A 48 48 VAL H H 48 8.600 8.247 0.353 1
1 563 . 8 1 1 A 48 48 VAL HA H 48 3.470 3.743 -0.273 1
1 571 . 8 1 1 A 48 48 VAL CA C 48 66.900 66.182 0.718 1
1 572 . 8 1 1 A 48 48 VAL CB C 48 31.000 31.539 -0.539 1
1 575 . 8 1 1 A 48 48 VAL N N 48 123.000 121.552 1.448 1
1 576 . 8 1 1 A 49 49 GLU H H 49 9.360 8.000 1.360 1
1 577 . 8 1 1 A 49 49 GLU HA H 49 4.180 4.176 0.004 1
1 582 . 8 1 1 A 49 49 GLU CA C 49 57.600 58.466 -0.866 1
1 583 . 8 1 1 A 49 49 GLU CB C 49 28.500 29.591 -1.091 1
1 585 . 8 1 1 A 49 49 GLU N N 49 115.300 120.645 -5.345 1
1 586 . 8 1 1 A 50 50 ASP H H 50 7.840 7.874 -0.034 1
1 587 . 8 1 1 A 50 50 ASP HA H 50 4.840 4.739 0.101 1
1 590 . 8 1 1 A 50 50 ASP CA C 50 53.800 53.929 -0.129 1
1 591 . 8 1 1 A 50 50 ASP CB C 50 41.400 41.811 -0.411 1
1 592 . 8 1 1 A 50 50 ASP N N 50 118.900 118.595 0.305 1
1 593 . 8 1 1 A 51 51 VAL H H 51 7.150 7.484 -0.334 1
1 594 . 8 1 1 A 51 51 VAL HA H 51 3.950 4.393 -0.443 1
1 602 . 8 1 1 A 51 51 VAL CA C 51 63.700 61.954 1.746 1
1 603 . 8 1 1 A 51 51 VAL CB C 51 30.900 32.522 -1.622 1
1 606 . 8 1 1 A 51 51 VAL N N 51 119.900 121.741 -1.841 1
1 607 . 8 1 1 A 52 52 LYS H H 52 11.840 7.840 4.000 1
1 608 . 8 1 1 A 52 52 LYS HA H 52 4.980 4.451 0.529 1
1 617 . 8 1 1 A 52 52 LYS CA C 52 52.800 53.410 -0.610 1
1 618 . 8 1 1 A 52 52 LYS CB C 52 33.100 31.789 1.311 1
1 622 . 8 1 1 A 52 52 LYS N N 52 133.900 128.790 5.110 1
1 623 . 8 1 1 A 53 53 PRO HA H 53 4.370 4.438 -0.068 1
1 630 . 8 1 1 A 53 53 PRO CA C 53 66.600 65.280 1.320 1
1 631 . 8 1 1 A 53 53 PRO CB C 53 31.600 31.872 -0.272 1
1 634 . 8 1 1 A 54 54 ARG H H 54 8.180 8.099 0.081 1
1 635 . 8 1 1 A 54 54 ARG HA H 54 4.200 4.103 0.097 1
1 643 . 8 1 1 A 54 54 ARG CA C 54 58.300 59.129 -0.829 1
1 644 . 8 1 1 A 54 54 ARG CB C 54 28.700 29.595 -0.895 1
1 647 . 8 1 1 A 54 54 ARG N N 54 113.800 118.464 -4.664 1
1 649 . 8 1 1 A 55 55 HIS H H 55 7.650 7.679 -0.029 1
1 650 . 8 1 1 A 55 55 HIS HA H 55 4.430 4.415 0.015 1
1 655 . 8 1 1 A 55 55 HIS CA C 55 60.500 59.343 1.157 1
1 656 . 8 1 1 A 55 55 HIS CB C 55 31.400 29.663 1.737 1
1 659 . 8 1 1 A 55 55 HIS N N 55 118.400 117.817 0.583 1
1 660 . 8 1 1 A 56 56 ILE H H 56 7.280 7.887 -0.607 1
1 661 . 8 1 1 A 56 56 ILE HA H 56 3.480 3.595 -0.115 1
1 671 . 8 1 1 A 56 56 ILE CA C 56 61.900 65.149 -3.249 1
1 672 . 8 1 1 A 56 56 ILE CB C 56 33.900 37.578 -3.678 1
1 676 . 8 1 1 A 56 56 ILE N N 56 117.400 120.107 -2.707 1
1 677 . 8 1 1 A 57 57 ASP H H 57 8.010 8.348 -0.338 1
1 678 . 8 1 1 A 57 57 ASP HA H 57 4.220 4.265 -0.045 1
1 681 . 8 1 1 A 57 57 ASP CA C 57 57.200 57.879 -0.679 1
1 682 . 8 1 1 A 57 57 ASP CB C 57 40.900 41.383 -0.483 1
1 683 . 8 1 1 A 57 57 ASP N N 57 119.400 122.442 -3.042 1
1 684 . 8 1 1 A 58 58 ASP H H 58 8.000 7.991 0.009 1
1 685 . 8 1 1 A 58 58 ASP HA H 58 4.380 4.353 0.027 1
1 688 . 8 1 1 A 58 58 ASP CA C 58 57.600 57.517 0.083 1
1 689 . 8 1 1 A 58 58 ASP CB C 58 39.200 40.903 -1.703 1
1 690 . 8 1 1 A 58 58 ASP N N 58 117.400 119.581 -2.181 1
1 691 . 8 1 1 A 59 59 VAL H H 59 7.800 7.885 -0.085 1
1 692 . 8 1 1 A 59 59 VAL HA H 59 3.620 3.802 -0.182 1
1 700 . 8 1 1 A 59 59 VAL CA C 59 66.200 65.238 0.962 1
1 701 . 8 1 1 A 59 59 VAL CB C 59 31.400 31.621 -0.221 1
1 704 . 8 1 1 A 59 59 VAL N N 59 121.200 116.891 4.309 1
1 705 . 8 1 1 A 60 60 LEU H H 60 8.030 8.093 -0.063 1
1 706 . 8 1 1 A 60 60 LEU HA H 60 3.870 3.831 0.039 1
1 716 . 8 1 1 A 60 60 LEU CA C 60 58.000 58.360 -0.360 1
1 717 . 8 1 1 A 60 60 LEU CB C 60 40.300 41.384 -1.084 1
1 721 . 8 1 1 A 60 60 LEU N N 60 118.900 121.792 -2.892 1
1 722 . 8 1 1 A 61 61 LYS H H 61 8.710 8.170 0.540 1
1 723 . 8 1 1 A 61 61 LYS HA H 61 3.920 4.002 -0.082 1
1 732 . 8 1 1 A 61 61 LYS CA C 61 59.600 58.878 0.722 1
1 733 . 8 1 1 A 61 61 LYS CB C 61 32.500 31.945 0.555 1
1 737 . 8 1 1 A 61 61 LYS N N 61 118.300 117.955 0.345 1
1 738 . 8 1 1 A 62 62 ALA H H 62 7.590 7.535 0.055 1
1 739 . 8 1 1 A 62 62 ALA HA H 62 4.170 4.117 0.053 1
1 743 . 8 1 1 A 62 62 ALA CA C 62 55.100 54.863 0.237 1
1 744 . 8 1 1 A 62 62 ALA CB C 62 17.900 18.499 -0.599 1
1 745 . 8 1 1 A 62 62 ALA N N 62 121.000 121.813 -0.813 1
1 746 . 8 1 1 A 63 63 VAL H H 63 8.090 8.237 -0.147 1
1 747 . 8 1 1 A 63 63 VAL HA H 63 3.710 3.861 -0.151 1
1 755 . 8 1 1 A 63 63 VAL CA C 63 65.700 65.136 0.564 1
1 756 . 8 1 1 A 63 63 VAL CB C 63 31.700 31.218 0.482 1
1 759 . 8 1 1 A 63 63 VAL N N 63 118.000 116.412 1.588 1
1 760 . 8 1 1 A 64 64 MET H H 64 8.360 7.876 0.484 1
1 761 . 8 1 1 A 64 64 MET HA H 64 4.110 4.288 -0.178 1
1 769 . 8 1 1 A 64 64 MET CA C 64 57.600 57.774 -0.174 1
1 770 . 8 1 1 A 64 64 MET CB C 64 31.700 31.927 -0.227 1
1 773 . 8 1 1 A 64 64 MET N N 64 119.400 120.290 -0.890 1
1 774 . 8 1 1 A 65 65 LYS H H 65 7.660 7.653 0.007 1
1 775 . 8 1 1 A 65 65 LYS HA H 65 4.170 4.090 0.080 1
1 784 . 8 1 1 A 65 65 LYS CA C 65 58.100 59.116 -1.016 1
1 785 . 8 1 1 A 65 65 LYS CB C 65 32.500 32.459 0.041 1
1 789 . 8 1 1 A 65 65 LYS N N 65 118.900 117.978 0.922 1
1 790 . 8 1 1 A 66 66 ARG H H 66 7.600 8.356 -0.756 1
1 791 . 8 1 1 A 66 66 ARG HA H 66 4.430 4.186 0.244 1
1 799 . 8 1 1 A 66 66 ARG CA C 66 56.600 57.625 -1.025 1
1 800 . 8 1 1 A 66 66 ARG CB C 66 30.400 30.356 0.044 1
1 803 . 8 1 1 A 66 66 ARG N N 66 115.800 118.584 -2.784 1
1 805 . 8 1 1 A 67 67 GLY H H 67 7.830 7.831 -0.001 1
1 806 . 8 1 1 A 67 67 GLY HA2 H 67 4.010 4.083 -0.073 1
1 807 . 8 1 1 A 67 67 GLY HA3 H 67 3.980 4.085 -0.105 1
1 808 . 8 1 1 A 67 67 GLY CA C 67 45.700 45.362 0.338 1
1 809 . 8 1 1 A 67 67 GLY N N 67 107.400 109.263 -1.863 1
1 810 . 8 1 1 A 68 68 ALA H H 68 7.730 8.097 -0.367 1
1 811 . 8 1 1 A 68 68 ALA HA H 68 4.980 4.659 0.321 1
1 815 . 8 1 1 A 68 68 ALA CA C 68 49.700 50.123 -0.423 1
1 816 . 8 1 1 A 68 68 ALA CB C 68 18.900 22.050 -3.150 1
1 817 . 8 1 1 A 68 68 ALA N N 68 122.500 122.873 -0.373 1
1 818 . 8 1 1 A 69 69 PRO HA H 69 4.350 4.268 0.082 1
1 825 . 8 1 1 A 69 69 PRO CA C 69 65.400 65.035 0.365 1
1 826 . 8 1 1 A 69 69 PRO CB C 69 31.700 32.104 -0.404 1
1 829 . 8 1 1 A 70 70 SER H H 70 8.430 8.362 0.068 1
1 830 . 8 1 1 A 70 70 SER HA H 70 4.250 4.233 0.017 1
1 833 . 8 1 1 A 70 70 SER CA C 70 61.000 61.600 -0.600 1
1 834 . 8 1 1 A 70 70 SER CB C 70 61.500 62.809 -1.309 1
1 835 . 8 1 1 A 70 70 SER N N 70 112.200 114.196 -1.996 1
1 836 . 8 1 1 A 71 71 ILE H H 71 7.430 7.990 -0.560 1
1 837 . 8 1 1 A 71 71 ILE HA H 71 3.980 3.683 0.297 1
1 847 . 8 1 1 A 71 71 ILE CA C 71 63.100 65.232 -2.132 1
1 848 . 8 1 1 A 71 71 ILE CB C 71 36.700 37.564 -0.864 1
1 852 . 8 1 1 A 71 71 ILE N N 71 122.000 121.856 0.144 1
1 853 . 8 1 1 A 72 72 ALA H H 72 7.780 7.989 -0.209 1
1 854 . 8 1 1 A 72 72 ALA HA H 72 3.910 3.983 -0.073 1
1 858 . 8 1 1 A 72 72 ALA CA C 72 55.800 55.693 0.107 1
1 859 . 8 1 1 A 72 72 ALA CB C 72 17.900 18.367 -0.467 1
1 860 . 8 1 1 A 72 72 ALA N N 72 126.100 121.871 4.229 1
1 861 . 8 1 1 A 73 73 ASN H H 73 8.180 7.861 0.319 1
1 862 . 8 1 1 A 73 73 ASN HA H 73 4.410 4.486 -0.076 1
1 867 . 8 1 1 A 73 73 ASN CA C 73 55.900 56.302 -0.402 1
1 868 . 8 1 1 A 73 73 ASN CB C 73 37.800 37.603 0.197 1
1 869 . 8 1 1 A 73 73 ASN N N 73 116.700 117.549 -0.849 1
1 871 . 8 1 1 A 74 74 ASP H H 74 8.120 8.034 0.086 1
1 872 . 8 1 1 A 74 74 ASP HA H 74 4.410 4.439 -0.029 1
1 875 . 8 1 1 A 74 74 ASP CA C 74 57.500 56.963 0.537 1
1 876 . 8 1 1 A 74 74 ASP CB C 74 41.400 40.625 0.775 1
1 877 . 8 1 1 A 74 74 ASP N N 74 120.800 119.045 1.755 1
1 878 . 8 1 1 A 75 75 THR H H 75 8.360 8.323 0.037 1
1 879 . 8 1 1 A 75 75 THR HA H 75 3.750 4.105 -0.355 1
1 884 . 8 1 1 A 75 75 THR CA C 75 68.800 66.835 1.965 1
1 885 . 8 1 1 A 75 75 THR CB C 75 67.700 67.892 -0.192 1
1 887 . 8 1 1 A 75 75 THR N N 75 116.300 116.364 -0.064 1
1 888 . 8 1 1 A 76 76 LEU H H 76 8.160 8.262 -0.102 1
1 889 . 8 1 1 A 76 76 LEU HA H 76 3.980 4.026 -0.046 1
1 899 . 8 1 1 A 76 76 LEU CA C 76 58.000 58.087 -0.087 1
1 900 . 8 1 1 A 76 76 LEU CB C 76 40.500 41.520 -1.020 1
1 904 . 8 1 1 A 76 76 LEU N N 76 121.000 122.003 -1.003 1
1 905 . 8 1 1 A 77 77 ARG H H 77 7.810 8.039 -0.229 1
1 906 . 8 1 1 A 77 77 ARG HA H 77 3.790 4.039 -0.249 1
1 914 . 8 1 1 A 77 77 ARG CA C 77 60.000 59.868 0.132 1
1 915 . 8 1 1 A 77 77 ARG CB C 77 29.400 29.774 -0.374 1
1 918 . 8 1 1 A 77 77 ARG N N 77 118.400 118.792 -0.392 1
1 920 . 8 1 1 A 78 78 TRP H H 78 7.870 8.112 -0.242 1
1 921 . 8 1 1 A 78 78 TRP HA H 78 4.490 4.394 0.096 1
1 930 . 8 1 1 A 78 78 TRP CA C 78 60.200 61.072 -0.872 1
1 931 . 8 1 1 A 78 78 TRP CB C 78 28.700 29.462 -0.762 1
1 937 . 8 1 1 A 78 78 TRP N N 78 118.300 122.332 -4.032 1
1 939 . 8 1 1 A 79 79 LEU H H 79 8.630 8.946 -0.316 1
1 940 . 8 1 1 A 79 79 LEU HA H 79 3.940 3.762 0.178 1
1 950 . 8 1 1 A 79 79 LEU CA C 79 58.200 58.026 0.174 1
1 951 . 8 1 1 A 79 79 LEU CB C 79 42.300 41.584 0.716 1
1 955 . 8 1 1 A 79 79 LEU N N 79 120.200 119.816 0.384 1
1 956 . 8 1 1 A 80 80 LYS H H 80 8.710 8.459 0.251 1
1 957 . 8 1 1 A 80 80 LYS HA H 80 3.880 4.003 -0.123 1
1 966 . 8 1 1 A 80 80 LYS CA C 80 61.300 59.446 1.854 1
1 967 . 8 1 1 A 80 80 LYS CB C 80 32.300 32.528 -0.228 1
1 971 . 8 1 1 A 80 80 LYS N N 80 118.400 119.420 -1.020 1
1 972 . 8 1 1 A 81 81 ARG H H 81 7.800 7.897 -0.097 1
1 973 . 8 1 1 A 81 81 ARG HA H 81 4.030 4.117 -0.087 1
1 981 . 8 1 1 A 81 81 ARG CA C 81 59.700 59.626 0.074 1
1 982 . 8 1 1 A 81 81 ARG CB C 81 30.400 30.515 -0.115 1
1 985 . 8 1 1 A 81 81 ARG N N 81 117.400 119.123 -1.723 1
1 987 . 8 1 1 A 82 82 MET H H 82 8.530 7.787 0.743 1
1 988 . 8 1 1 A 82 82 MET HA H 82 3.000 3.402 -0.402 1
1 996 . 8 1 1 A 82 82 MET CA C 82 58.900 58.283 0.617 1
1 997 . 8 1 1 A 82 82 MET CB C 82 32.300 31.069 1.231 1
1 1000 . 8 1 1 A 82 82 MET N N 82 121.400 118.589 2.811 1
1 1001 . 8 1 1 A 83 83 PHE H H 83 8.340 8.244 0.096 1
1 1002 . 8 1 1 A 83 83 PHE HA H 83 4.340 4.217 0.123 1
1 1010 . 8 1 1 A 83 83 PHE CA C 83 61.900 61.314 0.586 1
1 1011 . 8 1 1 A 83 83 PHE CB C 83 38.800 37.881 0.919 1
1 1015 . 8 1 1 A 83 83 PHE N N 83 116.900 117.726 -0.826 1
1 1016 . 8 1 1 A 84 84 ASN H H 84 8.170 8.169 0.001 1
1 1017 . 8 1 1 A 84 84 ASN HA H 84 4.670 4.496 0.174 1
1 1022 . 8 1 1 A 84 84 ASN CA C 84 55.800 56.267 -0.467 1
1 1023 . 8 1 1 A 84 84 ASN CB C 84 37.500 39.022 -1.522 1
1 1024 . 8 1 1 A 84 84 ASN N N 84 120.500 118.583 1.917 1
1 1026 . 8 1 1 A 85 85 TYR H H 85 7.910 8.359 -0.449 1
1 1027 . 8 1 1 A 85 85 TYR HA H 85 4.320 4.152 0.168 1
1 1034 . 8 1 1 A 85 85 TYR CA C 85 61.100 61.825 -0.725 1
1 1035 . 8 1 1 A 85 85 TYR CB C 85 37.900 38.810 -0.910 1
1 1038 . 8 1 1 A 85 85 TYR N N 85 124.000 121.094 2.906 1
1 1039 . 8 1 1 A 86 86 ALA H H 86 7.780 7.911 -0.131 1
1 1040 . 8 1 1 A 86 86 ALA HA H 86 3.670 4.129 -0.459 1
1 1044 . 8 1 1 A 86 86 ALA CA C 86 54.800 54.881 -0.081 1
1 1045 . 8 1 1 A 86 86 ALA CB C 86 18.100 18.441 -0.341 1
1 1046 . 8 1 1 A 86 86 ALA N N 86 120.500 121.390 -0.890 1
1 1047 . 8 1 1 A 87 87 ILE H H 87 7.880 7.831 0.049 1
1 1048 . 8 1 1 A 87 87 ILE HA H 87 4.240 4.125 0.115 1
1 1058 . 8 1 1 A 87 87 ILE CA C 87 63.900 64.952 -1.052 1
1 1059 . 8 1 1 A 87 87 ILE CB C 87 37.900 37.856 0.044 1
1 1063 . 8 1 1 A 87 87 ILE N N 87 120.400 118.985 1.415 1
1 1064 . 8 1 1 A 88 88 LYS H H 88 7.880 8.487 -0.607 1
1 1065 . 8 1 1 A 88 88 LYS HA H 88 3.900 4.084 -0.184 1
1 1074 . 8 1 1 A 88 88 LYS CA C 88 58.900 58.478 0.422 1
1 1075 . 8 1 1 A 88 88 LYS CB C 88 31.300 31.343 -0.043 1
1 1079 . 8 1 1 A 88 88 LYS N N 88 124.300 120.812 3.488 1
1 1080 . 8 1 1 A 89 89 ARG H H 89 7.350 7.112 0.238 1
1 1081 . 8 1 1 A 89 89 ARG HA H 89 4.020 4.396 -0.376 1
1 1088 . 8 1 1 A 89 89 ARG CA C 89 54.600 55.775 -1.175 1
1 1089 . 8 1 1 A 89 89 ARG CB C 89 29.100 30.378 -1.278 1
1 1092 . 8 1 1 A 89 89 ARG N N 89 114.300 117.662 -3.362 1
1 1093 . 8 1 1 A 90 90 HIS H H 90 8.030 8.138 -0.108 1
1 1094 . 8 1 1 A 90 90 HIS HA H 90 4.330 4.212 0.118 1
1 1098 . 8 1 1 A 90 90 HIS CA C 90 56.300 56.462 -0.162 1
1 1099 . 8 1 1 A 90 90 HIS CB C 90 25.200 27.996 -2.796 1
1 1101 . 8 1 1 A 90 90 HIS N N 90 113.200 116.236 -3.036 1
1 1102 . 8 1 1 A 91 91 ILE H H 91 8.370 8.281 0.089 1
1 1103 . 8 1 1 A 91 91 ILE HA H 91 3.830 3.987 -0.157 1
1 1113 . 8 1 1 A 91 91 ILE CA C 91 63.600 62.609 0.991 1
1 1114 . 8 1 1 A 91 91 ILE CB C 91 39.300 38.758 0.542 1
1 1118 . 8 1 1 A 91 91 ILE N N 91 118.400 116.567 1.833 1
1 1119 . 8 1 1 A 92 92 ILE H H 92 6.860 7.091 -0.231 1
1 1120 . 8 1 1 A 92 92 ILE HA H 92 4.570 4.596 -0.026 1
1 1130 . 8 1 1 A 92 92 ILE CA C 92 58.800 58.341 0.459 1
1 1131 . 8 1 1 A 92 92 ILE CB C 92 42.700 41.349 1.351 1
1 1135 . 8 1 1 A 92 92 ILE N N 92 108.600 117.293 -8.693 1
1 1136 . 8 1 1 A 93 93 GLU H H 93 8.690 8.171 0.519 1
1 1137 . 8 1 1 A 93 93 GLU HA H 93 4.470 4.493 -0.023 1
1 1142 . 8 1 1 A 93 93 GLU CA C 93 56.400 55.379 1.021 1
1 1143 . 8 1 1 A 93 93 GLU CB C 93 31.200 30.818 0.382 1
1 1145 . 8 1 1 A 93 93 GLU N N 93 116.800 124.704 -7.904 1
1 1146 . 8 1 1 A 94 94 TYR H H 94 7.420 7.838 -0.418 1
1 1147 . 8 1 1 A 94 94 TYR HA H 94 4.710 4.572 0.138 1
1 1154 . 8 1 1 A 94 94 TYR CA C 94 55.800 57.602 -1.802 1
1 1155 . 8 1 1 A 94 94 TYR CB C 94 40.600 39.276 1.324 1
1 1158 . 8 1 1 A 94 94 TYR N N 94 117.900 118.808 -0.908 1
1 1159 . 8 1 1 A 95 95 ASN H H 95 8.960 8.113 0.847 1
1 1160 . 8 1 1 A 95 95 ASN HA H 95 4.550 4.385 0.165 1
1 1165 . 8 1 1 A 95 95 ASN CA C 95 49.700 53.839 -4.139 1
1 1166 . 8 1 1 A 95 95 ASN CB C 95 39.200 36.789 2.411 1
1 1167 . 8 1 1 A 95 95 ASN N N 95 122.500 117.624 4.876 1
1 1169 . 8 1 1 A 96 96 PRO HA H 96 4.300 4.251 0.049 1
1 1176 . 8 1 1 A 96 96 PRO CA C 96 64.000 64.367 -0.367 1
1 1177 . 8 1 1 A 96 96 PRO CB C 96 31.100 31.558 -0.458 1
1 1180 . 8 1 1 A 97 97 ALA H H 97 8.090 7.985 0.105 1
1 1181 . 8 1 1 A 97 97 ALA HA H 97 4.540 4.253 0.287 1
1 1185 . 8 1 1 A 97 97 ALA CA C 97 51.200 53.628 -2.428 1
1 1186 . 8 1 1 A 97 97 ALA CB C 97 18.900 18.460 0.440 1
1 1187 . 8 1 1 A 97 97 ALA N N 97 118.400 119.402 -1.002 1
1 1188 . 8 1 1 A 98 98 ALA H H 98 7.330 7.831 -0.501 1
1 1189 . 8 1 1 A 98 98 ALA HA H 98 3.990 4.135 -0.145 1
1 1193 . 8 1 1 A 98 98 ALA CA C 98 54.700 54.224 0.476 1
1 1194 . 8 1 1 A 98 98 ALA CB C 98 18.900 18.469 0.431 1
1 1195 . 8 1 1 A 98 98 ALA N N 98 120.500 121.153 -0.653 1
1 1196 . 8 1 1 A 99 99 ALA H H 99 8.020 7.967 0.053 1
1 1197 . 8 1 1 A 99 99 ALA HA H 99 4.180 3.920 0.260 1
1 1201 . 8 1 1 A 99 99 ALA CA C 99 52.500 54.692 -2.192 1
1 1202 . 8 1 1 A 99 99 ALA CB C 99 18.200 18.397 -0.197 1
1 1203 . 8 1 1 A 99 99 ALA N N 99 117.400 120.269 -2.869 1
1 1204 . 8 1 1 A 100 100 PHE H H 100 7.320 7.866 -0.546 1
1 1205 . 8 1 1 A 100 100 PHE HA H 100 4.360 4.814 -0.454 1
1 1210 . 8 1 1 A 100 100 PHE CA C 100 57.700 57.278 0.422 1
1 1211 . 8 1 1 A 100 100 PHE CB C 100 40.500 39.401 1.099 1
1 1213 . 8 1 1 A 100 100 PHE N N 100 117.400 112.948 4.452 1
1 1214 . 8 1 1 A 101 101 ASP H H 101 8.520 7.648 0.872 1
1 1215 . 8 1 1 A 101 101 ASP HA H 101 4.910 4.744 0.166 1
1 1218 . 8 1 1 A 101 101 ASP CA C 101 51.400 52.025 -0.625 1
1 1219 . 8 1 1 A 101 101 ASP CB C 101 41.400 42.082 -0.682 1
1 1220 . 8 1 1 A 101 101 ASP N N 101 122.600 122.378 0.222 1
1 1221 . 8 1 1 A 102 102 PRO HA H 102 4.350 4.462 -0.112 1
1 1228 . 8 1 1 A 102 102 PRO CA C 102 63.400 63.799 -0.399 1
1 1229 . 8 1 1 A 102 102 PRO CB C 102 31.900 32.263 -0.363 1
1 1232 . 8 1 1 A 103 103 GLY H H 103 8.440 8.460 -0.020 1
1 1233 . 8 1 1 A 103 103 GLY HA2 H 103 3.890 4.017 -0.127 1
1 1234 . 8 1 1 A 103 103 GLY HA3 H 103 3.860 4.021 -0.161 1
1 1235 . 8 1 1 A 103 103 GLY CA C 103 45.100 46.108 -1.008 1
1 1236 . 8 1 1 A 103 103 GLY N N 103 108.300 108.897 -0.597 1
1 1237 . 8 1 1 A 104 104 ASP H H 104 8.100 8.448 -0.348 1
1 1238 . 8 1 1 A 104 104 ASP HA H 104 4.620 4.925 -0.305 1
1 1241 . 8 1 1 A 104 104 ASP CA C 104 53.900 53.971 -0.071 1
1 1242 . 8 1 1 A 104 104 ASP CB C 104 40.700 41.181 -0.481 1
1 1243 . 8 1 1 A 104 104 ASP N N 104 120.100 125.357 -5.257 1
1 1244 . 8 1 1 A 105 105 ALA H H 105 8.360 8.944 -0.584 1
1 1245 . 8 1 1 A 105 105 ALA HA H 105 4.270 4.969 -0.699 1
1 1249 . 8 1 1 A 105 105 ALA CA C 105 52.900 50.772 2.128 1
1 1250 . 8 1 1 A 105 105 ALA CB C 105 18.800 23.128 -4.328 1
1 1251 . 8 1 1 A 105 105 ALA N N 105 124.600 127.414 -2.814 1
1 1252 . 8 1 1 A 106 106 GLY H H 106 8.470 8.724 -0.254 1
1 1253 . 8 1 1 A 106 106 GLY HA2 H 106 3.930 4.026 -0.096 1
1 1254 . 8 1 1 A 106 106 GLY HA3 H 106 3.910 4.030 -0.120 1
1 1255 . 8 1 1 A 106 106 GLY CA C 106 45.400 46.194 -0.794 1
1 1256 . 8 1 1 A 106 106 GLY N N 106 107.500 106.595 0.905 1
1 1257 . 8 1 1 A 107 107 GLY H H 107 8.170 8.820 -0.650 1
1 1258 . 8 1 1 A 107 107 GLY HA2 H 107 3.950 3.880 0.070 1
1 1259 . 8 1 1 A 107 107 GLY HA3 H 107 3.940 3.886 0.054 1
1 1260 . 8 1 1 A 107 107 GLY CA C 107 45.300 46.807 -1.507 1
1 1261 . 8 1 1 A 107 107 GLY N N 107 108.600 112.919 -4.319 1
1 1262 . 8 1 1 A 108 108 LYS H H 108 8.160 7.771 0.389 1
1 1263 . 8 1 1 A 108 108 LYS HA H 108 4.260 4.435 -0.175 1
1 1272 . 8 1 1 A 108 108 LYS CA C 108 56.500 57.973 -1.473 1
1 1273 . 8 1 1 A 108 108 LYS CB C 108 32.800 31.499 1.301 1
1 1277 . 8 1 1 A 108 108 LYS N N 108 120.500 115.856 4.644 1
1 1278 . 8 1 1 A 109 109 LEU H H 109 8.220 8.614 -0.394 1
1 1279 . 8 1 1 A 109 109 LEU HA H 109 4.260 4.429 -0.169 1
1 1289 . 8 1 1 A 109 109 LEU CA C 109 55.000 54.221 0.779 1
1 1290 . 8 1 1 A 109 109 LEU CB C 109 41.900 41.538 0.362 1
1 1294 . 8 1 1 A 109 109 LEU N N 109 122.200 120.150 2.050 1
1 1295 . 8 1 1 A 110 110 GLU H H 110 8.160 7.579 0.581 1
1 1296 . 8 1 1 A 110 110 GLU HA H 110 4.190 4.346 -0.156 1
1 1301 . 8 1 1 A 110 110 GLU CA C 110 56.000 56.902 -0.902 1
1 1302 . 8 1 1 A 110 110 GLU CB C 110 29.900 30.262 -0.362 1
1 1304 . 8 1 1 A 110 110 GLU N N 110 121.000 121.167 -0.167 1
1 1305 . 8 1 1 A 111 111 HIS H H 111 8.460 8.540 -0.080 1
1 1306 . 8 1 1 A 111 111 HIS HA H 111 4.630 5.097 -0.467 1
1 1309 . 8 1 1 A 111 111 HIS CA C 111 54.900 55.088 -0.188 1
1 1310 . 8 1 1 A 111 111 HIS CB C 111 28.700 33.049 -4.349 1
1 1311 . 8 1 1 A 111 111 HIS N N 111 118.900 126.179 -7.279 1
1 1312 . 8 1 1 A 112 112 HIS H H 112 8.540 8.677 -0.137 1
1 1313 . 8 1 1 A 112 112 HIS HA H 112 4.640 4.778 -0.138 1
1 1316 . 8 1 1 A 112 112 HIS CA C 112 55.100 54.236 0.864 1
1 1317 . 8 1 1 A 112 112 HIS CB C 112 28.900 31.482 -2.582 1
1 1318 . 8 1 1 A 112 112 HIS N N 112 119.100 124.259 -5.159 1
1 1319 . 8 1 1 A 113 113 HIS H H 113 8.630 8.341 0.289 1
1 1320 . 8 1 1 A 113 113 HIS HA H 113 4.670 4.059 0.611 1
1 1323 . 8 1 1 A 113 113 HIS CA C 113 55.200 57.480 -2.280 1
1 1324 . 8 1 1 A 113 113 HIS CB C 113 28.900 30.221 -1.321 1
1 1325 . 8 1 1 A 113 113 HIS N N 113 119.400 124.162 -4.762 1
1 1326 . 8 1 1 A 114 114 HIS H H 114 8.670 7.532 1.138 1
1 1327 . 8 1 1 A 114 114 HIS HA H 114 4.670 4.749 -0.079 1
1 1330 . 8 1 1 A 114 114 HIS CA C 114 55.200 54.409 0.791 1
1 1331 . 8 1 1 A 114 114 HIS CB C 114 29.100 30.379 -1.279 1
1 1332 . 8 1 1 A 114 114 HIS N N 114 120.400 116.984 3.416 1
1 1333 . 8 1 1 A 115 115 HIS H H 115 8.560 9.086 -0.526 1
1 1334 . 8 1 1 A 115 115 HIS HA H 115 4.660 4.705 -0.045 1
1 1337 . 8 1 1 A 115 115 HIS CA C 115 55.300 55.031 0.269 1
1 1338 . 8 1 1 A 115 115 HIS CB C 115 29.300 28.248 1.052 1
1 1339 . 8 1 1 A 115 115 HIS N N 115 120.600 123.954 -3.354 1
1 5 . 9 1 1 A 2 2 ALA H H 2 8.190 8.852 -0.662 1
1 6 . 9 1 1 A 2 2 ALA HA H 2 4.510 4.944 -0.434 1
1 10 . 9 1 1 A 2 2 ALA CA C 2 51.900 51.245 0.655 1
1 11 . 9 1 1 A 2 2 ALA CB C 2 19.500 20.535 -1.035 1
1 12 . 9 1 1 A 2 2 ALA N N 2 124.100 127.421 -3.321 1
1 13 . 9 1 1 A 3 3 GLU H H 3 8.740 8.770 -0.030 1
1 14 . 9 1 1 A 3 3 GLU HA H 3 4.380 4.572 -0.192 1
1 19 . 9 1 1 A 3 3 GLU CA C 3 56.000 58.017 -2.017 1
1 20 . 9 1 1 A 3 3 GLU CB C 3 29.900 32.136 -2.236 1
1 22 . 9 1 1 A 3 3 GLU N N 3 120.700 125.189 -4.489 1
1 23 . 9 1 1 A 4 4 LYS H H 4 8.580 8.553 0.027 1
1 24 . 9 1 1 A 4 4 LYS HA H 4 4.280 4.321 -0.041 1
1 33 . 9 1 1 A 4 4 LYS CA C 4 56.600 57.472 -0.872 1
1 34 . 9 1 1 A 4 4 LYS CB C 4 32.600 33.703 -1.103 1
1 38 . 9 1 1 A 4 4 LYS N N 4 122.500 118.649 3.851 1
1 39 . 9 1 1 A 5 5 ASN H H 5 8.560 7.874 0.686 1
1 40 . 9 1 1 A 5 5 ASN HA H 5 4.700 5.110 -0.410 1
1 45 . 9 1 1 A 5 5 ASN CA C 5 53.200 51.892 1.308 1
1 46 . 9 1 1 A 5 5 ASN CB C 5 38.900 40.130 -1.230 1
1 47 . 9 1 1 A 5 5 ASN N N 5 119.500 117.606 1.894 1
1 49 . 9 1 1 A 6 6 ALA H H 6 8.210 8.561 -0.351 1
1 50 . 9 1 1 A 6 6 ALA HA H 6 4.520 4.454 0.066 1
1 54 . 9 1 1 A 6 6 ALA CA C 6 51.800 52.078 -0.278 1
1 55 . 9 1 1 A 6 6 ALA CB C 6 19.600 19.494 0.106 1
1 56 . 9 1 1 A 6 6 ALA N N 6 124.100 129.770 -5.670 1
1 57 . 9 1 1 A 7 7 TYR H H 7 8.740 8.730 0.010 1
1 58 . 9 1 1 A 7 7 TYR HA H 7 4.700 4.667 0.033 1
1 65 . 9 1 1 A 7 7 TYR CA C 7 58.900 58.758 0.142 1
1 66 . 9 1 1 A 7 7 TYR CB C 7 40.300 38.255 2.045 1
1 69 . 9 1 1 A 7 7 TYR N N 7 121.400 119.894 1.506 1
1 70 . 9 1 1 A 8 8 THR H H 8 8.170 8.694 -0.524 1
1 71 . 9 1 1 A 8 8 THR HA H 8 5.220 4.554 0.666 1
1 76 . 9 1 1 A 8 8 THR CA C 8 59.800 62.155 -2.355 1
1 77 . 9 1 1 A 8 8 THR CB C 8 71.600 69.983 1.617 1
1 79 . 9 1 1 A 8 8 THR N N 8 113.700 120.100 -6.400 1
1 80 . 9 1 1 A 9 9 VAL H H 9 8.990 9.131 -0.141 1
1 81 . 9 1 1 A 9 9 VAL HA H 9 3.370 3.940 -0.570 1
1 89 . 9 1 1 A 9 9 VAL CA C 9 66.700 65.001 1.699 1
1 90 . 9 1 1 A 9 9 VAL CB C 9 30.200 31.889 -1.689 1
1 93 . 9 1 1 A 9 9 VAL N N 9 121.400 125.743 -4.343 1
1 94 . 9 1 1 A 10 10 ALA H H 10 9.340 7.898 1.442 1
1 95 . 9 1 1 A 10 10 ALA HA H 10 3.720 4.009 -0.289 1
1 99 . 9 1 1 A 10 10 ALA CA C 10 55.800 55.840 -0.040 1
1 100 . 9 1 1 A 10 10 ALA CB C 10 18.200 17.892 0.308 1
1 101 . 9 1 1 A 10 10 ALA N N 10 122.000 123.639 -1.639 1
1 102 . 9 1 1 A 11 11 GLN H H 11 7.330 8.048 -0.718 1
1 103 . 9 1 1 A 11 11 GLN HA H 11 4.050 4.070 -0.020 1
1 110 . 9 1 1 A 11 11 GLN CA C 11 58.400 58.886 -0.486 1
1 111 . 9 1 1 A 11 11 GLN CB C 11 28.700 28.423 0.277 1
1 113 . 9 1 1 A 11 11 GLN N N 11 115.300 118.165 -2.865 1
1 115 . 9 1 1 A 12 12 LEU H H 12 8.510 8.384 0.126 1
1 116 . 9 1 1 A 12 12 LEU HA H 12 4.200 4.447 -0.247 1
1 126 . 9 1 1 A 12 12 LEU CA C 12 57.600 58.240 -0.640 1
1 127 . 9 1 1 A 12 12 LEU CB C 12 41.700 41.341 0.359 1
1 131 . 9 1 1 A 12 12 LEU N N 12 121.500 122.460 -0.960 1
1 132 . 9 1 1 A 13 13 ALA H H 13 9.160 8.037 1.123 1
1 133 . 9 1 1 A 13 13 ALA HA H 13 3.990 4.175 -0.185 1
1 137 . 9 1 1 A 13 13 ALA CA C 13 55.400 55.525 -0.125 1
1 138 . 9 1 1 A 13 13 ALA CB C 13 17.700 18.271 -0.571 1
1 139 . 9 1 1 A 13 13 ALA N N 13 121.000 120.727 0.273 1
1 140 . 9 1 1 A 14 14 ASP H H 14 7.920 8.079 -0.159 1
1 141 . 9 1 1 A 14 14 ASP HA H 14 4.480 5.082 -0.602 1
1 144 . 9 1 1 A 14 14 ASP CA C 14 57.200 56.161 1.039 1
1 145 . 9 1 1 A 14 14 ASP CB C 14 39.500 40.452 -0.952 1
1 146 . 9 1 1 A 14 14 ASP N N 14 117.400 118.487 -1.087 1
1 147 . 9 1 1 A 15 15 GLU H H 15 8.210 8.153 0.057 1
1 148 . 9 1 1 A 15 15 GLU HA H 15 4.110 4.044 0.066 1
1 153 . 9 1 1 A 15 15 GLU CA C 15 59.800 59.276 0.524 1
1 154 . 9 1 1 A 15 15 GLU CB C 15 30.100 29.299 0.801 1
1 156 . 9 1 1 A 15 15 GLU N N 15 122.500 119.999 2.501 1
1 157 . 9 1 1 A 16 16 TYR H H 16 9.230 8.175 1.055 1
1 158 . 9 1 1 A 16 16 TYR HA H 16 3.180 3.649 -0.469 1
1 165 . 9 1 1 A 16 16 TYR CA C 16 61.100 61.198 -0.098 1
1 166 . 9 1 1 A 16 16 TYR CB C 16 38.300 38.291 0.009 1
1 169 . 9 1 1 A 16 16 TYR N N 16 119.400 120.954 -1.554 1
1 170 . 9 1 1 A 17 17 PHE H H 17 8.700 8.445 0.255 1
1 171 . 9 1 1 A 17 17 PHE HA H 17 3.480 4.335 -0.855 1
1 178 . 9 1 1 A 17 17 PHE CA C 17 61.600 60.176 1.424 1
1 179 . 9 1 1 A 17 17 PHE CB C 17 39.300 38.044 1.256 1
1 182 . 9 1 1 A 17 17 PHE N N 17 118.400 117.455 0.945 1
1 183 . 9 1 1 A 18 18 GLU H H 18 8.280 7.090 1.190 1
1 184 . 9 1 1 A 18 18 GLU HA H 18 3.840 3.272 0.568 1
1 189 . 9 1 1 A 18 18 GLU CA C 18 58.800 58.994 -0.194 1
1 190 . 9 1 1 A 18 18 GLU CB C 18 29.000 28.736 0.264 1
1 192 . 9 1 1 A 18 18 GLU N N 18 118.500 119.931 -1.431 1
1 193 . 9 1 1 A 19 19 ARG H H 19 8.350 7.408 0.942 1
1 194 . 9 1 1 A 19 19 ARG HA H 19 4.200 4.038 0.162 1
1 202 . 9 1 1 A 19 19 ARG CA C 19 57.300 58.223 -0.923 1
1 203 . 9 1 1 A 19 19 ARG CB C 19 30.900 30.462 0.438 1
1 206 . 9 1 1 A 19 19 ARG N N 19 114.300 119.023 -4.723 1
1 208 . 9 1 1 A 20 20 MET H H 20 7.960 7.809 0.151 1
1 209 . 9 1 1 A 20 20 MET HA H 20 4.610 4.369 0.241 1
1 217 . 9 1 1 A 20 20 MET CA C 20 54.100 57.784 -3.684 1
1 218 . 9 1 1 A 20 20 MET CB C 20 31.800 32.461 -0.661 1
1 221 . 9 1 1 A 20 20 MET N N 20 112.400 118.754 -6.354 1
1 222 . 9 1 1 A 21 21 ILE H H 21 6.970 8.412 -1.442 1
1 223 . 9 1 1 A 21 21 ILE HA H 21 4.050 4.237 -0.187 1
1 233 . 9 1 1 A 21 21 ILE CA C 21 59.800 61.443 -1.643 1
1 234 . 9 1 1 A 21 21 ILE CB C 21 35.900 37.550 -1.650 1
1 238 . 9 1 1 A 21 21 ILE N N 21 117.900 119.645 -1.745 1
1 239 . 9 1 1 A 22 22 ALA H H 22 7.700 7.583 0.117 1
1 240 . 9 1 1 A 22 22 ALA HA H 22 3.600 4.100 -0.500 1
1 244 . 9 1 1 A 22 22 ALA CA C 22 53.900 52.262 1.638 1
1 245 . 9 1 1 A 22 22 ALA CB C 22 18.000 19.411 -1.411 1
1 246 . 9 1 1 A 22 22 ALA N N 22 123.500 123.959 -0.459 1
1 247 . 9 1 1 A 23 23 GLY H H 23 8.460 7.985 0.475 1
1 248 . 9 1 1 A 23 23 GLY HA2 H 23 3.960 3.951 0.009 1
1 249 . 9 1 1 A 23 23 GLY HA3 H 23 3.820 3.971 -0.151 1
1 250 . 9 1 1 A 23 23 GLY CA C 23 45.600 45.804 -0.204 1
1 251 . 9 1 1 A 23 23 GLY N N 23 109.600 107.740 1.860 1
1 252 . 9 1 1 A 24 24 ARG H H 24 7.830 8.351 -0.521 1
1 253 . 9 1 1 A 24 24 ARG HA H 24 4.440 4.718 -0.278 1
1 261 . 9 1 1 A 24 24 ARG CA C 24 56.700 54.873 1.827 1
1 262 . 9 1 1 A 24 24 ARG CB C 24 32.400 31.419 0.981 1
1 265 . 9 1 1 A 24 24 ARG N N 24 118.400 122.048 -3.648 1
1 267 . 9 1 1 A 25 25 TRP H H 25 8.240 8.560 -0.320 1
1 268 . 9 1 1 A 25 25 TRP HA H 25 4.640 4.702 -0.062 1
1 277 . 9 1 1 A 25 25 TRP CA C 25 56.900 57.642 -0.742 1
1 278 . 9 1 1 A 25 25 TRP CB C 25 31.400 31.017 0.383 1
1 284 . 9 1 1 A 25 25 TRP N N 25 121.500 125.902 -4.402 1
1 286 . 9 1 1 A 26 26 LYS H H 26 7.890 6.581 1.309 1
1 287 . 9 1 1 A 26 26 LYS HA H 26 3.910 3.441 0.469 1
1 296 . 9 1 1 A 26 26 LYS CA C 26 56.800 57.599 -0.799 1
1 297 . 9 1 1 A 26 26 LYS CB C 26 32.200 30.075 2.125 1
1 301 . 9 1 1 A 26 26 LYS N N 26 122.500 114.657 7.843 1
1 302 . 9 1 1 A 27 27 HIS H H 27 7.840 7.180 0.660 1
1 303 . 9 1 1 A 27 27 HIS HA H 27 5.230 4.949 0.281 1
1 307 . 9 1 1 A 27 27 HIS CA C 27 53.200 52.870 0.330 1
1 308 . 9 1 1 A 27 27 HIS CB C 27 28.200 29.690 -1.490 1
1 310 . 9 1 1 A 27 27 HIS N N 27 112.700 113.714 -1.014 1
1 311 . 9 1 1 A 28 28 PRO HA H 28 4.120 4.418 -0.298 1
1 318 . 9 1 1 A 28 28 PRO CA C 28 65.400 65.807 -0.407 1
1 319 . 9 1 1 A 28 28 PRO CB C 28 32.200 32.063 0.137 1
1 322 . 9 1 1 A 29 29 ASN H H 29 8.840 8.944 -0.104 1
1 323 . 9 1 1 A 29 29 ASN HA H 29 4.470 4.484 -0.014 1
1 328 . 9 1 1 A 29 29 ASN CA C 29 56.100 56.012 0.088 1
1 329 . 9 1 1 A 29 29 ASN CB C 29 37.000 37.863 -0.863 1
1 330 . 9 1 1 A 29 29 ASN N N 29 116.300 115.007 1.293 1
1 332 . 9 1 1 A 30 30 ILE H H 30 7.630 8.113 -0.483 1
1 333 . 9 1 1 A 30 30 ILE HA H 30 3.910 3.659 0.251 1
1 343 . 9 1 1 A 30 30 ILE CA C 30 63.700 65.094 -1.394 1
1 344 . 9 1 1 A 30 30 ILE CB C 30 37.300 37.965 -0.665 1
1 348 . 9 1 1 A 30 30 ILE N N 30 121.500 120.390 1.110 1
1 349 . 9 1 1 A 31 31 VAL H H 31 6.920 7.718 -0.798 1
1 350 . 9 1 1 A 31 31 VAL HA H 31 3.020 3.794 -0.774 1
1 358 . 9 1 1 A 31 31 VAL CA C 31 65.500 65.028 0.472 1
1 359 . 9 1 1 A 31 31 VAL CB C 31 30.900 31.625 -0.725 1
1 362 . 9 1 1 A 31 31 VAL N N 31 119.900 121.666 -1.766 1
1 363 . 9 1 1 A 32 32 ARG H H 32 8.080 8.198 -0.118 1
1 364 . 9 1 1 A 32 32 ARG HA H 32 3.380 3.675 -0.295 1
1 371 . 9 1 1 A 32 32 ARG CA C 32 58.900 59.787 -0.887 1
1 372 . 9 1 1 A 32 32 ARG CB C 32 28.800 29.807 -1.007 1
1 375 . 9 1 1 A 32 32 ARG N N 32 118.900 122.506 -3.606 1
1 376 . 9 1 1 A 33 33 SER H H 33 7.840 8.259 -0.419 1
1 377 . 9 1 1 A 33 33 SER HA H 33 4.130 4.044 0.086 1
1 380 . 9 1 1 A 33 33 SER CA C 33 61.900 62.229 -0.329 1
1 381 . 9 1 1 A 33 33 SER CB C 33 62.700 62.840 -0.140 1
1 382 . 9 1 1 A 33 33 SER N N 33 113.400 116.229 -2.829 1
1 383 . 9 1 1 A 34 34 ARG H H 34 7.610 7.202 0.408 1
1 384 . 9 1 1 A 34 34 ARG HA H 34 4.370 4.184 0.186 1
1 392 . 9 1 1 A 34 34 ARG CA C 34 58.100 58.438 -0.338 1
1 393 . 9 1 1 A 34 34 ARG CB C 34 29.600 29.800 -0.200 1
1 396 . 9 1 1 A 34 34 ARG N N 34 119.900 120.865 -0.965 1
1 398 . 9 1 1 A 35 35 ILE H H 35 8.070 8.068 0.002 1
1 399 . 9 1 1 A 35 35 ILE HA H 35 3.470 3.679 -0.209 1
1 409 . 9 1 1 A 35 35 ILE CA C 35 65.800 65.165 0.635 1
1 410 . 9 1 1 A 35 35 ILE CB C 35 38.200 37.676 0.524 1
1 414 . 9 1 1 A 35 35 ILE N N 35 118.600 119.799 -1.199 1
1 415 . 9 1 1 A 36 36 GLU H H 36 8.710 8.414 0.296 1
1 416 . 9 1 1 A 36 36 GLU HA H 36 3.880 4.116 -0.236 1
1 421 . 9 1 1 A 36 36 GLU CA C 36 58.400 58.346 0.054 1
1 422 . 9 1 1 A 36 36 GLU CB C 36 30.000 28.702 1.298 1
1 424 . 9 1 1 A 36 36 GLU N N 36 116.800 120.243 -3.443 1
1 425 . 9 1 1 A 37 37 LYS H H 37 8.550 7.978 0.572 1
1 426 . 9 1 1 A 37 37 LYS HA H 37 4.300 4.377 -0.077 1
1 435 . 9 1 1 A 37 37 LYS CA C 37 57.300 57.808 -0.508 1
1 436 . 9 1 1 A 37 37 LYS CB C 37 33.000 33.955 -0.955 1
1 440 . 9 1 1 A 37 37 LYS N N 37 114.300 119.630 -5.330 1
1 441 . 9 1 1 A 38 38 ASP H H 38 7.480 8.482 -1.002 1
1 442 . 9 1 1 A 38 38 ASP HA H 38 4.970 4.446 0.524 1
1 445 . 9 1 1 A 38 38 ASP CA C 38 55.300 56.804 -1.504 1
1 446 . 9 1 1 A 38 38 ASP CB C 38 42.700 41.167 1.533 1
1 447 . 9 1 1 A 38 38 ASP N N 38 113.900 119.795 -5.895 1
1 448 . 9 1 1 A 39 39 ILE H H 39 7.540 7.279 0.261 1
1 449 . 9 1 1 A 39 39 ILE HA H 39 3.940 4.096 -0.156 1
1 459 . 9 1 1 A 39 39 ILE CA C 39 64.700 63.723 0.977 1
1 460 . 9 1 1 A 39 39 ILE CB C 39 39.000 39.013 -0.013 1
1 464 . 9 1 1 A 39 39 ILE N N 39 116.800 118.079 -1.279 1
1 465 . 9 1 1 A 40 40 LYS H H 40 8.840 7.504 1.336 1
1 466 . 9 1 1 A 40 40 LYS HA H 40 3.650 4.746 -1.096 1
1 475 . 9 1 1 A 40 40 LYS CA C 40 50.600 53.986 -3.386 1
1 476 . 9 1 1 A 40 40 LYS CB C 40 30.400 33.078 -2.678 1
1 480 . 9 1 1 A 40 40 LYS N N 40 118.400 121.258 -2.858 1
1 481 . 9 1 1 A 41 41 PRO HA H 41 4.280 4.572 -0.292 1
1 488 . 9 1 1 A 41 41 PRO CA C 41 65.700 65.370 0.330 1
1 489 . 9 1 1 A 41 41 PRO CB C 41 30.700 31.885 -1.185 1
1 492 . 9 1 1 A 42 42 ALA H H 42 6.660 7.860 -1.200 1
1 493 . 9 1 1 A 42 42 ALA HA H 42 4.430 4.523 -0.093 1
1 497 . 9 1 1 A 42 42 ALA CA C 42 53.800 51.686 2.114 1
1 498 . 9 1 1 A 42 42 ALA CB C 42 20.800 20.127 0.673 1
1 499 . 9 1 1 A 42 42 ALA N N 42 115.300 118.124 -2.824 1
1 500 . 9 1 1 A 43 43 ILE H H 43 7.540 7.829 -0.289 1
1 501 . 9 1 1 A 43 43 ILE HA H 43 4.810 4.532 0.278 1
1 511 . 9 1 1 A 43 43 ILE CA C 43 60.600 60.038 0.562 1
1 512 . 9 1 1 A 43 43 ILE CB C 43 41.200 37.789 3.411 1
1 516 . 9 1 1 A 43 43 ILE N N 43 105.000 114.300 -9.300 1
1 517 . 9 1 1 A 44 44 GLY H H 44 8.500 8.379 0.121 1
1 518 . 9 1 1 A 44 44 GLY HA2 H 44 4.170 3.918 0.252 1
1 519 . 9 1 1 A 44 44 GLY HA3 H 44 3.430 3.928 -0.498 1
1 520 . 9 1 1 A 44 44 GLY CA C 44 47.300 46.290 1.010 1
1 521 . 9 1 1 A 44 44 GLY N N 44 109.600 112.423 -2.823 1
1 522 . 9 1 1 A 45 45 SER H H 45 8.120 7.868 0.252 1
1 523 . 9 1 1 A 45 45 SER HA H 45 4.440 4.624 -0.184 1
1 526 . 9 1 1 A 45 45 SER CA C 45 58.600 58.519 0.081 1
1 527 . 9 1 1 A 45 45 SER CB C 45 63.400 63.543 -0.143 1
1 528 . 9 1 1 A 45 45 SER N N 45 110.400 114.248 -3.848 1
1 529 . 9 1 1 A 46 46 LEU H H 46 7.480 6.994 0.486 1
1 530 . 9 1 1 A 46 46 LEU HA H 46 4.180 4.365 -0.185 1
1 540 . 9 1 1 A 46 46 LEU CA C 46 54.800 54.005 0.795 1
1 541 . 9 1 1 A 46 46 LEU CB C 46 41.700 42.928 -1.228 1
1 545 . 9 1 1 A 46 46 LEU N N 46 122.600 122.623 -0.023 1
1 546 . 9 1 1 A 47 47 LYS H H 47 8.790 8.417 0.373 1
1 547 . 9 1 1 A 47 47 LYS HA H 47 4.460 4.454 0.006 1
1 556 . 9 1 1 A 47 47 LYS CA C 47 56.700 55.873 0.827 1
1 557 . 9 1 1 A 47 47 LYS CB C 47 31.100 33.647 -2.547 1
1 561 . 9 1 1 A 47 47 LYS N N 47 120.800 124.431 -3.631 1
1 562 . 9 1 1 A 48 48 VAL H H 48 8.600 8.347 0.253 1
1 563 . 9 1 1 A 48 48 VAL HA H 48 3.470 3.807 -0.337 1
1 571 . 9 1 1 A 48 48 VAL CA C 48 66.900 66.441 0.459 1
1 572 . 9 1 1 A 48 48 VAL CB C 48 31.000 31.669 -0.669 1
1 575 . 9 1 1 A 48 48 VAL N N 48 123.000 123.615 -0.615 1
1 576 . 9 1 1 A 49 49 GLU H H 49 9.360 8.257 1.103 1
1 577 . 9 1 1 A 49 49 GLU HA H 49 4.180 4.065 0.115 1
1 582 . 9 1 1 A 49 49 GLU CA C 49 57.600 59.340 -1.740 1
1 583 . 9 1 1 A 49 49 GLU CB C 49 28.500 29.202 -0.702 1
1 585 . 9 1 1 A 49 49 GLU N N 49 115.300 120.300 -5.000 1
1 586 . 9 1 1 A 50 50 ASP H H 50 7.840 7.745 0.095 1
1 587 . 9 1 1 A 50 50 ASP HA H 50 4.840 4.600 0.240 1
1 590 . 9 1 1 A 50 50 ASP CA C 50 53.800 55.560 -1.760 1
1 591 . 9 1 1 A 50 50 ASP CB C 50 41.400 41.451 -0.051 1
1 592 . 9 1 1 A 50 50 ASP N N 50 118.900 118.316 0.584 1
1 593 . 9 1 1 A 51 51 VAL H H 51 7.150 7.414 -0.264 1
1 594 . 9 1 1 A 51 51 VAL HA H 51 3.950 4.527 -0.577 1
1 602 . 9 1 1 A 51 51 VAL CA C 51 63.700 61.822 1.878 1
1 603 . 9 1 1 A 51 51 VAL CB C 51 30.900 30.610 0.290 1
1 606 . 9 1 1 A 51 51 VAL N N 51 119.900 120.986 -1.086 1
1 607 . 9 1 1 A 52 52 LYS H H 52 11.840 8.039 3.801 1
1 608 . 9 1 1 A 52 52 LYS HA H 52 4.980 4.238 0.742 1
1 617 . 9 1 1 A 52 52 LYS CA C 52 52.800 54.672 -1.872 1
1 618 . 9 1 1 A 52 52 LYS CB C 52 33.100 31.676 1.424 1
1 622 . 9 1 1 A 52 52 LYS N N 52 133.900 129.013 4.887 1
1 623 . 9 1 1 A 53 53 PRO HA H 53 4.370 4.301 0.069 1
1 630 . 9 1 1 A 53 53 PRO CA C 53 66.600 65.411 1.189 1
1 631 . 9 1 1 A 53 53 PRO CB C 53 31.600 32.187 -0.587 1
1 634 . 9 1 1 A 54 54 ARG H H 54 8.180 8.196 -0.016 1
1 635 . 9 1 1 A 54 54 ARG HA H 54 4.200 4.111 0.089 1
1 643 . 9 1 1 A 54 54 ARG CA C 54 58.300 59.187 -0.887 1
1 644 . 9 1 1 A 54 54 ARG CB C 54 28.700 29.678 -0.978 1
1 647 . 9 1 1 A 54 54 ARG N N 54 113.800 118.601 -4.801 1
1 649 . 9 1 1 A 55 55 HIS H H 55 7.650 7.633 0.017 1
1 650 . 9 1 1 A 55 55 HIS HA H 55 4.430 5.059 -0.629 1
1 655 . 9 1 1 A 55 55 HIS CA C 55 60.500 60.052 0.448 1
1 656 . 9 1 1 A 55 55 HIS CB C 55 31.400 31.031 0.369 1
1 659 . 9 1 1 A 55 55 HIS N N 55 118.400 117.505 0.895 1
1 660 . 9 1 1 A 56 56 ILE H H 56 7.280 7.702 -0.422 1
1 661 . 9 1 1 A 56 56 ILE HA H 56 3.480 3.463 0.017 1
1 671 . 9 1 1 A 56 56 ILE CA C 56 61.900 65.456 -3.556 1
1 672 . 9 1 1 A 56 56 ILE CB C 56 33.900 37.428 -3.528 1
1 676 . 9 1 1 A 56 56 ILE N N 56 117.400 120.428 -3.028 1
1 677 . 9 1 1 A 57 57 ASP H H 57 8.010 8.110 -0.100 1
1 678 . 9 1 1 A 57 57 ASP HA H 57 4.220 4.055 0.165 1
1 681 . 9 1 1 A 57 57 ASP CA C 57 57.200 57.660 -0.460 1
1 682 . 9 1 1 A 57 57 ASP CB C 57 40.900 41.048 -0.148 1
1 683 . 9 1 1 A 57 57 ASP N N 57 119.400 121.622 -2.222 1
1 684 . 9 1 1 A 58 58 ASP H H 58 8.000 8.546 -0.546 1
1 685 . 9 1 1 A 58 58 ASP HA H 58 4.380 4.308 0.072 1
1 688 . 9 1 1 A 58 58 ASP CA C 58 57.600 57.373 0.227 1
1 689 . 9 1 1 A 58 58 ASP CB C 58 39.200 40.812 -1.612 1
1 690 . 9 1 1 A 58 58 ASP N N 58 117.400 119.804 -2.404 1
1 691 . 9 1 1 A 59 59 VAL H H 59 7.800 8.393 -0.593 1
1 692 . 9 1 1 A 59 59 VAL HA H 59 3.620 3.788 -0.168 1
1 700 . 9 1 1 A 59 59 VAL CA C 59 66.200 65.333 0.867 1
1 701 . 9 1 1 A 59 59 VAL CB C 59 31.400 31.365 0.035 1
1 704 . 9 1 1 A 59 59 VAL N N 59 121.200 118.694 2.506 1
1 705 . 9 1 1 A 60 60 LEU H H 60 8.030 7.881 0.149 1
1 706 . 9 1 1 A 60 60 LEU HA H 60 3.870 3.799 0.071 1
1 716 . 9 1 1 A 60 60 LEU CA C 60 58.000 58.352 -0.352 1
1 717 . 9 1 1 A 60 60 LEU CB C 60 40.300 41.568 -1.268 1
1 721 . 9 1 1 A 60 60 LEU N N 60 118.900 121.284 -2.384 1
1 722 . 9 1 1 A 61 61 LYS H H 61 8.710 8.315 0.395 1
1 723 . 9 1 1 A 61 61 LYS HA H 61 3.920 4.065 -0.145 1
1 732 . 9 1 1 A 61 61 LYS CA C 61 59.600 58.909 0.691 1
1 733 . 9 1 1 A 61 61 LYS CB C 61 32.500 32.055 0.445 1
1 737 . 9 1 1 A 61 61 LYS N N 61 118.300 117.835 0.465 1
1 738 . 9 1 1 A 62 62 ALA H H 62 7.590 7.733 -0.143 1
1 739 . 9 1 1 A 62 62 ALA HA H 62 4.170 4.209 -0.039 1
1 743 . 9 1 1 A 62 62 ALA CA C 62 55.100 54.651 0.449 1
1 744 . 9 1 1 A 62 62 ALA CB C 62 17.900 18.613 -0.713 1
1 745 . 9 1 1 A 62 62 ALA N N 62 121.000 121.521 -0.521 1
1 746 . 9 1 1 A 63 63 VAL H H 63 8.090 8.308 -0.218 1
1 747 . 9 1 1 A 63 63 VAL HA H 63 3.710 3.818 -0.108 1
1 755 . 9 1 1 A 63 63 VAL CA C 63 65.700 64.928 0.772 1
1 756 . 9 1 1 A 63 63 VAL CB C 63 31.700 31.548 0.152 1
1 759 . 9 1 1 A 63 63 VAL N N 63 118.000 117.104 0.896 1
1 760 . 9 1 1 A 64 64 MET H H 64 8.360 8.285 0.075 1
1 761 . 9 1 1 A 64 64 MET HA H 64 4.110 4.038 0.072 1
1 769 . 9 1 1 A 64 64 MET CA C 64 57.600 59.194 -1.594 1
1 770 . 9 1 1 A 64 64 MET CB C 64 31.700 32.869 -1.169 1
1 773 . 9 1 1 A 64 64 MET N N 64 119.400 120.878 -1.478 1
1 774 . 9 1 1 A 65 65 LYS H H 65 7.660 7.995 -0.335 1
1 775 . 9 1 1 A 65 65 LYS HA H 65 4.170 4.075 0.095 1
1 784 . 9 1 1 A 65 65 LYS CA C 65 58.100 59.147 -1.047 1
1 785 . 9 1 1 A 65 65 LYS CB C 65 32.500 32.307 0.193 1
1 789 . 9 1 1 A 65 65 LYS N N 65 118.900 118.334 0.566 1
1 790 . 9 1 1 A 66 66 ARG H H 66 7.600 8.215 -0.615 1
1 791 . 9 1 1 A 66 66 ARG HA H 66 4.430 4.131 0.299 1
1 799 . 9 1 1 A 66 66 ARG CA C 66 56.600 57.867 -1.267 1
1 800 . 9 1 1 A 66 66 ARG CB C 66 30.400 29.488 0.912 1
1 803 . 9 1 1 A 66 66 ARG N N 66 115.800 118.676 -2.876 1
1 805 . 9 1 1 A 67 67 GLY H H 67 7.830 7.764 0.066 1
1 806 . 9 1 1 A 67 67 GLY HA2 H 67 4.010 4.067 -0.057 1
1 807 . 9 1 1 A 67 67 GLY HA3 H 67 3.980 4.067 -0.087 1
1 808 . 9 1 1 A 67 67 GLY CA C 67 45.700 45.108 0.592 1
1 809 . 9 1 1 A 67 67 GLY N N 67 107.400 109.256 -1.856 1
1 810 . 9 1 1 A 68 68 ALA H H 68 7.730 8.239 -0.509 1
1 811 . 9 1 1 A 68 68 ALA HA H 68 4.980 4.665 0.315 1
1 815 . 9 1 1 A 68 68 ALA CA C 68 49.700 50.153 -0.453 1
1 816 . 9 1 1 A 68 68 ALA CB C 68 18.900 21.822 -2.922 1
1 817 . 9 1 1 A 68 68 ALA N N 68 122.500 123.074 -0.574 1
1 818 . 9 1 1 A 69 69 PRO HA H 69 4.350 4.262 0.088 1
1 825 . 9 1 1 A 69 69 PRO CA C 69 65.400 64.804 0.596 1
1 826 . 9 1 1 A 69 69 PRO CB C 69 31.700 32.055 -0.355 1
1 829 . 9 1 1 A 70 70 SER H H 70 8.430 8.367 0.063 1
1 830 . 9 1 1 A 70 70 SER HA H 70 4.250 4.293 -0.043 1
1 833 . 9 1 1 A 70 70 SER CA C 70 61.000 61.713 -0.713 1
1 834 . 9 1 1 A 70 70 SER CB C 70 61.500 63.026 -1.526 1
1 835 . 9 1 1 A 70 70 SER N N 70 112.200 114.140 -1.940 1
1 836 . 9 1 1 A 71 71 ILE H H 71 7.430 7.864 -0.434 1
1 837 . 9 1 1 A 71 71 ILE HA H 71 3.980 3.928 0.052 1
1 847 . 9 1 1 A 71 71 ILE CA C 71 63.100 64.069 -0.969 1
1 848 . 9 1 1 A 71 71 ILE CB C 71 36.700 37.325 -0.625 1
1 852 . 9 1 1 A 71 71 ILE N N 71 122.000 118.402 3.598 1
1 853 . 9 1 1 A 72 72 ALA H H 72 7.780 7.906 -0.126 1
1 854 . 9 1 1 A 72 72 ALA HA H 72 3.910 4.029 -0.119 1
1 858 . 9 1 1 A 72 72 ALA CA C 72 55.800 55.640 0.160 1
1 859 . 9 1 1 A 72 72 ALA CB C 72 17.900 18.035 -0.135 1
1 860 . 9 1 1 A 72 72 ALA N N 72 126.100 124.183 1.917 1
1 861 . 9 1 1 A 73 73 ASN H H 73 8.180 8.612 -0.432 1
1 862 . 9 1 1 A 73 73 ASN HA H 73 4.410 4.460 -0.050 1
1 867 . 9 1 1 A 73 73 ASN CA C 73 55.900 55.520 0.380 1
1 868 . 9 1 1 A 73 73 ASN CB C 73 37.800 37.180 0.620 1
1 869 . 9 1 1 A 73 73 ASN N N 73 116.700 115.780 0.920 1
1 871 . 9 1 1 A 74 74 ASP H H 74 8.120 8.109 0.011 1
1 872 . 9 1 1 A 74 74 ASP HA H 74 4.410 4.485 -0.075 1
1 875 . 9 1 1 A 74 74 ASP CA C 74 57.500 56.947 0.553 1
1 876 . 9 1 1 A 74 74 ASP CB C 74 41.400 41.105 0.295 1
1 877 . 9 1 1 A 74 74 ASP N N 74 120.800 120.528 0.272 1
1 878 . 9 1 1 A 75 75 THR H H 75 8.360 7.883 0.477 1
1 879 . 9 1 1 A 75 75 THR HA H 75 3.750 4.049 -0.299 1
1 884 . 9 1 1 A 75 75 THR CA C 75 68.800 67.639 1.161 1
1 885 . 9 1 1 A 75 75 THR CB C 75 67.700 67.964 -0.264 1
1 887 . 9 1 1 A 75 75 THR N N 75 116.300 116.249 0.051 1
1 888 . 9 1 1 A 76 76 LEU H H 76 8.160 7.985 0.175 1
1 889 . 9 1 1 A 76 76 LEU HA H 76 3.980 3.986 -0.006 1
1 899 . 9 1 1 A 76 76 LEU CA C 76 58.000 58.312 -0.312 1
1 900 . 9 1 1 A 76 76 LEU CB C 76 40.500 41.703 -1.203 1
1 904 . 9 1 1 A 76 76 LEU N N 76 121.000 121.276 -0.276 1
1 905 . 9 1 1 A 77 77 ARG H H 77 7.810 8.100 -0.290 1
1 906 . 9 1 1 A 77 77 ARG HA H 77 3.790 4.155 -0.365 1
1 914 . 9 1 1 A 77 77 ARG CA C 77 60.000 58.779 1.221 1
1 915 . 9 1 1 A 77 77 ARG CB C 77 29.400 30.240 -0.840 1
1 918 . 9 1 1 A 77 77 ARG N N 77 118.400 117.948 0.452 1
1 920 . 9 1 1 A 78 78 TRP H H 78 7.870 7.979 -0.109 1
1 921 . 9 1 1 A 78 78 TRP HA H 78 4.490 4.418 0.072 1
1 930 . 9 1 1 A 78 78 TRP CA C 78 60.200 61.080 -0.880 1
1 931 . 9 1 1 A 78 78 TRP CB C 78 28.700 29.513 -0.813 1
1 937 . 9 1 1 A 78 78 TRP N N 78 118.300 122.412 -4.112 1
1 939 . 9 1 1 A 79 79 LEU H H 79 8.630 8.789 -0.159 1
1 940 . 9 1 1 A 79 79 LEU HA H 79 3.940 3.878 0.062 1
1 950 . 9 1 1 A 79 79 LEU CA C 79 58.200 57.943 0.257 1
1 951 . 9 1 1 A 79 79 LEU CB C 79 42.300 41.474 0.826 1
1 955 . 9 1 1 A 79 79 LEU N N 79 120.200 119.436 0.764 1
1 956 . 9 1 1 A 80 80 LYS H H 80 8.710 8.554 0.156 1
1 957 . 9 1 1 A 80 80 LYS HA H 80 3.880 4.156 -0.276 1
1 966 . 9 1 1 A 80 80 LYS CA C 80 61.300 59.240 2.060 1
1 967 . 9 1 1 A 80 80 LYS CB C 80 32.300 32.127 0.173 1
1 971 . 9 1 1 A 80 80 LYS N N 80 118.400 118.120 0.280 1
1 972 . 9 1 1 A 81 81 ARG H H 81 7.800 7.776 0.024 1
1 973 . 9 1 1 A 81 81 ARG HA H 81 4.030 4.012 0.018 1
1 981 . 9 1 1 A 81 81 ARG CA C 81 59.700 59.199 0.501 1
1 982 . 9 1 1 A 81 81 ARG CB C 81 30.400 30.077 0.323 1
1 985 . 9 1 1 A 81 81 ARG N N 81 117.400 119.268 -1.868 1
1 987 . 9 1 1 A 82 82 MET H H 82 8.530 7.546 0.984 1
1 988 . 9 1 1 A 82 82 MET HA H 82 3.000 3.036 -0.036 1
1 996 . 9 1 1 A 82 82 MET CA C 82 58.900 58.099 0.801 1
1 997 . 9 1 1 A 82 82 MET CB C 82 32.300 31.073 1.227 1
1 1000 . 9 1 1 A 82 82 MET N N 82 121.400 118.597 2.803 1
1 1001 . 9 1 1 A 83 83 PHE H H 83 8.340 8.537 -0.197 1
1 1002 . 9 1 1 A 83 83 PHE HA H 83 4.340 4.178 0.162 1
1 1010 . 9 1 1 A 83 83 PHE CA C 83 61.900 60.871 1.029 1
1 1011 . 9 1 1 A 83 83 PHE CB C 83 38.800 38.209 0.591 1
1 1015 . 9 1 1 A 83 83 PHE N N 83 116.900 117.728 -0.828 1
1 1016 . 9 1 1 A 84 84 ASN H H 84 8.170 8.232 -0.062 1
1 1017 . 9 1 1 A 84 84 ASN HA H 84 4.670 4.461 0.209 1
1 1022 . 9 1 1 A 84 84 ASN CA C 84 55.800 56.246 -0.446 1
1 1023 . 9 1 1 A 84 84 ASN CB C 84 37.500 38.980 -1.480 1
1 1024 . 9 1 1 A 84 84 ASN N N 84 120.500 118.340 2.160 1
1 1026 . 9 1 1 A 85 85 TYR H H 85 7.910 8.282 -0.372 1
1 1027 . 9 1 1 A 85 85 TYR HA H 85 4.320 4.093 0.227 1
1 1034 . 9 1 1 A 85 85 TYR CA C 85 61.100 61.806 -0.706 1
1 1035 . 9 1 1 A 85 85 TYR CB C 85 37.900 38.738 -0.838 1
1 1038 . 9 1 1 A 85 85 TYR N N 85 124.000 120.898 3.102 1
1 1039 . 9 1 1 A 86 86 ALA H H 86 7.780 7.656 0.124 1
1 1040 . 9 1 1 A 86 86 ALA HA H 86 3.670 3.740 -0.070 1
1 1044 . 9 1 1 A 86 86 ALA CA C 86 54.800 54.666 0.134 1
1 1045 . 9 1 1 A 86 86 ALA CB C 86 18.100 17.984 0.116 1
1 1046 . 9 1 1 A 86 86 ALA N N 86 120.500 121.381 -0.881 1
1 1047 . 9 1 1 A 87 87 ILE H H 87 7.880 7.420 0.460 1
1 1048 . 9 1 1 A 87 87 ILE HA H 87 4.240 4.090 0.150 1
1 1058 . 9 1 1 A 87 87 ILE CA C 87 63.900 65.302 -1.402 1
1 1059 . 9 1 1 A 87 87 ILE CB C 87 37.900 37.473 0.427 1
1 1063 . 9 1 1 A 87 87 ILE N N 87 120.400 118.971 1.429 1
1 1064 . 9 1 1 A 88 88 LYS H H 88 7.880 7.869 0.011 1
1 1065 . 9 1 1 A 88 88 LYS HA H 88 3.900 3.874 0.026 1
1 1074 . 9 1 1 A 88 88 LYS CA C 88 58.900 60.337 -1.437 1
1 1075 . 9 1 1 A 88 88 LYS CB C 88 31.300 32.082 -0.782 1
1 1079 . 9 1 1 A 88 88 LYS N N 88 124.300 119.418 4.882 1
1 1080 . 9 1 1 A 89 89 ARG H H 89 7.350 7.516 -0.166 1
1 1081 . 9 1 1 A 89 89 ARG HA H 89 4.020 4.193 -0.173 1
1 1088 . 9 1 1 A 89 89 ARG CA C 89 54.600 56.006 -1.406 1
1 1089 . 9 1 1 A 89 89 ARG CB C 89 29.100 30.201 -1.101 1
1 1092 . 9 1 1 A 89 89 ARG N N 89 114.300 116.967 -2.667 1
1 1093 . 9 1 1 A 90 90 HIS H H 90 8.030 7.759 0.271 1
1 1094 . 9 1 1 A 90 90 HIS HA H 90 4.330 4.143 0.187 1
1 1098 . 9 1 1 A 90 90 HIS CA C 90 56.300 56.704 -0.404 1
1 1099 . 9 1 1 A 90 90 HIS CB C 90 25.200 29.130 -3.930 1
1 1101 . 9 1 1 A 90 90 HIS N N 90 113.200 115.956 -2.756 1
1 1102 . 9 1 1 A 91 91 ILE H H 91 8.370 8.011 0.359 1
1 1103 . 9 1 1 A 91 91 ILE HA H 91 3.830 3.638 0.192 1
1 1113 . 9 1 1 A 91 91 ILE CA C 91 63.600 64.184 -0.584 1
1 1114 . 9 1 1 A 91 91 ILE CB C 91 39.300 38.133 1.167 1
1 1118 . 9 1 1 A 91 91 ILE N N 91 118.400 117.262 1.138 1
1 1119 . 9 1 1 A 92 92 ILE H H 92 6.860 7.578 -0.718 1
1 1120 . 9 1 1 A 92 92 ILE HA H 92 4.570 4.610 -0.040 1
1 1130 . 9 1 1 A 92 92 ILE CA C 92 58.800 58.273 0.527 1
1 1131 . 9 1 1 A 92 92 ILE CB C 92 42.700 42.110 0.590 1
1 1135 . 9 1 1 A 92 92 ILE N N 92 108.600 116.276 -7.676 1
1 1136 . 9 1 1 A 93 93 GLU H H 93 8.690 8.745 -0.055 1
1 1137 . 9 1 1 A 93 93 GLU HA H 93 4.470 4.670 -0.200 1
1 1142 . 9 1 1 A 93 93 GLU CA C 93 56.400 56.108 0.292 1
1 1143 . 9 1 1 A 93 93 GLU CB C 93 31.200 30.689 0.511 1
1 1145 . 9 1 1 A 93 93 GLU N N 93 116.800 119.749 -2.949 1
1 1146 . 9 1 1 A 94 94 TYR H H 94 7.420 7.804 -0.384 1
1 1147 . 9 1 1 A 94 94 TYR HA H 94 4.710 5.035 -0.325 1
1 1154 . 9 1 1 A 94 94 TYR CA C 94 55.800 56.265 -0.465 1
1 1155 . 9 1 1 A 94 94 TYR CB C 94 40.600 42.113 -1.513 1
1 1158 . 9 1 1 A 94 94 TYR N N 94 117.900 122.176 -4.276 1
1 1159 . 9 1 1 A 95 95 ASN H H 95 8.960 8.287 0.673 1
1 1160 . 9 1 1 A 95 95 ASN HA H 95 4.550 5.346 -0.796 1
1 1165 . 9 1 1 A 95 95 ASN CA C 95 49.700 50.381 -0.681 1
1 1166 . 9 1 1 A 95 95 ASN CB C 95 39.200 39.548 -0.348 1
1 1167 . 9 1 1 A 95 95 ASN N N 95 122.500 125.678 -3.178 1
1 1169 . 9 1 1 A 96 96 PRO HA H 96 4.300 4.296 0.004 1
1 1176 . 9 1 1 A 96 96 PRO CA C 96 64.000 65.029 -1.029 1
1 1177 . 9 1 1 A 96 96 PRO CB C 96 31.100 31.647 -0.547 1
1 1180 . 9 1 1 A 97 97 ALA H H 97 8.090 7.612 0.478 1
1 1181 . 9 1 1 A 97 97 ALA HA H 97 4.540 4.305 0.235 1
1 1185 . 9 1 1 A 97 97 ALA CA C 97 51.200 53.742 -2.542 1
1 1186 . 9 1 1 A 97 97 ALA CB C 97 18.900 18.781 0.119 1
1 1187 . 9 1 1 A 97 97 ALA N N 97 118.400 118.963 -0.563 1
1 1188 . 9 1 1 A 98 98 ALA H H 98 7.330 7.407 -0.077 1
1 1189 . 9 1 1 A 98 98 ALA HA H 98 3.990 4.199 -0.209 1
1 1193 . 9 1 1 A 98 98 ALA CA C 98 54.700 53.565 1.135 1
1 1194 . 9 1 1 A 98 98 ALA CB C 98 18.900 18.525 0.375 1
1 1195 . 9 1 1 A 98 98 ALA N N 98 120.500 119.996 0.504 1
1 1196 . 9 1 1 A 99 99 ALA H H 99 8.020 7.588 0.432 1
1 1197 . 9 1 1 A 99 99 ALA HA H 99 4.180 4.093 0.087 1
1 1201 . 9 1 1 A 99 99 ALA CA C 99 52.500 52.978 -0.478 1
1 1202 . 9 1 1 A 99 99 ALA CB C 99 18.200 19.006 -0.806 1
1 1203 . 9 1 1 A 99 99 ALA N N 99 117.400 119.102 -1.702 1
1 1204 . 9 1 1 A 100 100 PHE H H 100 7.320 7.432 -0.112 1
1 1205 . 9 1 1 A 100 100 PHE HA H 100 4.360 4.870 -0.510 1
1 1210 . 9 1 1 A 100 100 PHE CA C 100 57.700 56.316 1.384 1
1 1211 . 9 1 1 A 100 100 PHE CB C 100 40.500 39.375 1.125 1
1 1213 . 9 1 1 A 100 100 PHE N N 100 117.400 117.066 0.334 1
1 1214 . 9 1 1 A 101 101 ASP H H 101 8.520 9.029 -0.509 1
1 1215 . 9 1 1 A 101 101 ASP HA H 101 4.910 5.151 -0.241 1
1 1218 . 9 1 1 A 101 101 ASP CA C 101 51.400 50.486 0.914 1
1 1219 . 9 1 1 A 101 101 ASP CB C 101 41.400 42.266 -0.866 1
1 1220 . 9 1 1 A 101 101 ASP N N 101 122.600 125.649 -3.049 1
1 1221 . 9 1 1 A 102 102 PRO HA H 102 4.350 4.855 -0.505 1
1 1228 . 9 1 1 A 102 102 PRO CA C 102 63.400 62.333 1.067 1
1 1229 . 9 1 1 A 102 102 PRO CB C 102 31.900 32.525 -0.625 1
1 1232 . 9 1 1 A 103 103 GLY H H 103 8.440 8.511 -0.071 1
1 1233 . 9 1 1 A 103 103 GLY HA2 H 103 3.890 4.199 -0.309 1
1 1234 . 9 1 1 A 103 103 GLY HA3 H 103 3.860 4.203 -0.343 1
1 1235 . 9 1 1 A 103 103 GLY CA C 103 45.100 43.922 1.178 1
1 1236 . 9 1 1 A 103 103 GLY N N 103 108.300 108.062 0.238 1
1 1237 . 9 1 1 A 104 104 ASP H H 104 8.100 8.894 -0.794 1
1 1238 . 9 1 1 A 104 104 ASP HA H 104 4.620 4.639 -0.019 1
1 1241 . 9 1 1 A 104 104 ASP CA C 104 53.900 53.992 -0.092 1
1 1242 . 9 1 1 A 104 104 ASP CB C 104 40.700 39.586 1.114 1
1 1243 . 9 1 1 A 104 104 ASP N N 104 120.100 119.889 0.211 1
1 1244 . 9 1 1 A 105 105 ALA H H 105 8.360 8.244 0.116 1
1 1245 . 9 1 1 A 105 105 ALA HA H 105 4.270 4.419 -0.149 1
1 1249 . 9 1 1 A 105 105 ALA CA C 105 52.900 52.660 0.240 1
1 1250 . 9 1 1 A 105 105 ALA CB C 105 18.800 20.555 -1.755 1
1 1251 . 9 1 1 A 105 105 ALA N N 105 124.600 126.901 -2.301 1
1 1252 . 9 1 1 A 106 106 GLY H H 106 8.470 8.655 -0.185 1
1 1253 . 9 1 1 A 106 106 GLY HA2 H 106 3.930 3.906 0.024 1
1 1254 . 9 1 1 A 106 106 GLY HA3 H 106 3.910 3.907 0.003 1
1 1255 . 9 1 1 A 106 106 GLY CA C 106 45.400 47.156 -1.756 1
1 1256 . 9 1 1 A 106 106 GLY N N 106 107.500 106.299 1.201 1
1 1257 . 9 1 1 A 107 107 GLY H H 107 8.170 8.746 -0.576 1
1 1258 . 9 1 1 A 107 107 GLY HA2 H 107 3.950 4.047 -0.097 1
1 1259 . 9 1 1 A 107 107 GLY HA3 H 107 3.940 4.048 -0.108 1
1 1260 . 9 1 1 A 107 107 GLY CA C 107 45.300 45.059 0.241 1
1 1261 . 9 1 1 A 107 107 GLY N N 107 108.600 106.712 1.888 1
1 1262 . 9 1 1 A 108 108 LYS H H 108 8.160 7.525 0.635 1
1 1263 . 9 1 1 A 108 108 LYS HA H 108 4.260 4.664 -0.404 1
1 1272 . 9 1 1 A 108 108 LYS CA C 108 56.500 55.041 1.459 1
1 1273 . 9 1 1 A 108 108 LYS CB C 108 32.800 33.839 -1.039 1
1 1277 . 9 1 1 A 108 108 LYS N N 108 120.500 116.028 4.472 1
1 1278 . 9 1 1 A 109 109 LEU H H 109 8.220 8.788 -0.568 1
1 1279 . 9 1 1 A 109 109 LEU HA H 109 4.260 5.169 -0.909 1
1 1289 . 9 1 1 A 109 109 LEU CA C 109 55.000 53.829 1.171 1
1 1290 . 9 1 1 A 109 109 LEU CB C 109 41.900 46.011 -4.111 1
1 1294 . 9 1 1 A 109 109 LEU N N 109 122.200 114.858 7.342 1
1 1295 . 9 1 1 A 110 110 GLU H H 110 8.160 8.815 -0.655 1
1 1296 . 9 1 1 A 110 110 GLU HA H 110 4.190 5.200 -1.010 1
1 1301 . 9 1 1 A 110 110 GLU CA C 110 56.000 55.211 0.789 1
1 1302 . 9 1 1 A 110 110 GLU CB C 110 29.900 31.623 -1.723 1
1 1304 . 9 1 1 A 110 110 GLU N N 110 121.000 120.016 0.984 1
1 1305 . 9 1 1 A 111 111 HIS H H 111 8.460 9.117 -0.657 1
1 1306 . 9 1 1 A 111 111 HIS HA H 111 4.630 5.377 -0.747 1
1 1309 . 9 1 1 A 111 111 HIS CA C 111 54.900 53.475 1.425 1
1 1310 . 9 1 1 A 111 111 HIS CB C 111 28.700 30.915 -2.215 1
1 1311 . 9 1 1 A 111 111 HIS N N 111 118.900 119.544 -0.644 1
1 1312 . 9 1 1 A 112 112 HIS H H 112 8.540 8.780 -0.240 1
1 1313 . 9 1 1 A 112 112 HIS HA H 112 4.640 4.457 0.183 1
1 1316 . 9 1 1 A 112 112 HIS CA C 112 55.100 56.305 -1.205 1
1 1317 . 9 1 1 A 112 112 HIS CB C 112 28.900 30.386 -1.486 1
1 1318 . 9 1 1 A 112 112 HIS N N 112 119.100 121.530 -2.430 1
1 1319 . 9 1 1 A 113 113 HIS H H 113 8.630 8.849 -0.219 1
1 1320 . 9 1 1 A 113 113 HIS HA H 113 4.670 4.806 -0.136 1
1 1323 . 9 1 1 A 113 113 HIS CA C 113 55.200 55.499 -0.299 1
1 1324 . 9 1 1 A 113 113 HIS CB C 113 28.900 31.938 -3.038 1
1 1325 . 9 1 1 A 113 113 HIS N N 113 119.400 122.646 -3.246 1
1 1326 . 9 1 1 A 114 114 HIS H H 114 8.670 8.733 -0.063 1
1 1327 . 9 1 1 A 114 114 HIS HA H 114 4.670 4.489 0.181 1
1 1330 . 9 1 1 A 114 114 HIS CA C 114 55.200 55.780 -0.580 1
1 1331 . 9 1 1 A 114 114 HIS CB C 114 29.100 32.011 -2.911 1
1 1332 . 9 1 1 A 114 114 HIS N N 114 120.400 121.023 -0.623 1
1 1333 . 9 1 1 A 115 115 HIS H H 115 8.560 7.513 1.047 1
1 1334 . 9 1 1 A 115 115 HIS HA H 115 4.660 4.674 -0.014 1
1 1337 . 9 1 1 A 115 115 HIS CA C 115 55.300 55.752 -0.452 1
1 1338 . 9 1 1 A 115 115 HIS CB C 115 29.300 32.728 -3.428 1
1 1339 . 9 1 1 A 115 115 HIS N N 115 120.600 118.111 2.489 1
1 5 . 10 1 1 A 2 2 ALA H H 2 8.190 7.894 0.296 1
1 6 . 10 1 1 A 2 2 ALA HA H 2 4.510 4.055 0.455 1
1 10 . 10 1 1 A 2 2 ALA CA C 2 51.900 54.500 -2.600 1
1 11 . 10 1 1 A 2 2 ALA CB C 2 19.500 18.021 1.479 1
1 12 . 10 1 1 A 2 2 ALA N N 2 124.100 121.019 3.081 1
1 13 . 10 1 1 A 3 3 GLU H H 3 8.740 8.857 -0.117 1
1 14 . 10 1 1 A 3 3 GLU HA H 3 4.380 4.077 0.303 1
1 19 . 10 1 1 A 3 3 GLU CA C 3 56.000 59.478 -3.478 1
1 20 . 10 1 1 A 3 3 GLU CB C 3 29.900 29.640 0.260 1
1 22 . 10 1 1 A 3 3 GLU N N 3 120.700 117.772 2.928 1
1 23 . 10 1 1 A 4 4 LYS H H 4 8.580 7.944 0.636 1
1 24 . 10 1 1 A 4 4 LYS HA H 4 4.280 4.547 -0.267 1
1 33 . 10 1 1 A 4 4 LYS CA C 4 56.600 57.162 -0.562 1
1 34 . 10 1 1 A 4 4 LYS CB C 4 32.600 33.650 -1.050 1
1 38 . 10 1 1 A 4 4 LYS N N 4 122.500 117.229 5.271 1
1 39 . 10 1 1 A 5 5 ASN H H 5 8.560 7.921 0.639 1
1 40 . 10 1 1 A 5 5 ASN HA H 5 4.700 5.127 -0.427 1
1 45 . 10 1 1 A 5 5 ASN CA C 5 53.200 52.257 0.943 1
1 46 . 10 1 1 A 5 5 ASN CB C 5 38.900 40.330 -1.430 1
1 47 . 10 1 1 A 5 5 ASN N N 5 119.500 117.612 1.888 1
1 49 . 10 1 1 A 6 6 ALA H H 6 8.210 7.854 0.356 1
1 50 . 10 1 1 A 6 6 ALA HA H 6 4.520 4.164 0.356 1
1 54 . 10 1 1 A 6 6 ALA CA C 6 51.800 50.667 1.133 1
1 55 . 10 1 1 A 6 6 ALA CB C 6 19.600 18.546 1.054 1
1 56 . 10 1 1 A 6 6 ALA N N 6 124.100 123.653 0.447 1
1 57 . 10 1 1 A 7 7 TYR H H 7 8.740 7.484 1.256 1
1 58 . 10 1 1 A 7 7 TYR HA H 7 4.700 4.742 -0.042 1
1 65 . 10 1 1 A 7 7 TYR CA C 7 58.900 57.136 1.764 1
1 66 . 10 1 1 A 7 7 TYR CB C 7 40.300 39.700 0.600 1
1 69 . 10 1 1 A 7 7 TYR N N 7 121.400 120.151 1.249 1
1 70 . 10 1 1 A 8 8 THR H H 8 8.170 8.608 -0.438 1
1 71 . 10 1 1 A 8 8 THR HA H 8 5.220 4.504 0.716 1
1 76 . 10 1 1 A 8 8 THR CA C 8 59.800 61.849 -2.049 1
1 77 . 10 1 1 A 8 8 THR CB C 8 71.600 70.616 0.984 1
1 79 . 10 1 1 A 8 8 THR N N 8 113.700 113.529 0.171 1
1 80 . 10 1 1 A 9 9 VAL H H 9 8.990 8.732 0.258 1
1 81 . 10 1 1 A 9 9 VAL HA H 9 3.370 3.984 -0.614 1
1 89 . 10 1 1 A 9 9 VAL CA C 9 66.700 65.090 1.610 1
1 90 . 10 1 1 A 9 9 VAL CB C 9 30.200 31.999 -1.799 1
1 93 . 10 1 1 A 9 9 VAL N N 9 121.400 122.345 -0.945 1
1 94 . 10 1 1 A 10 10 ALA H H 10 9.340 8.062 1.278 1
1 95 . 10 1 1 A 10 10 ALA HA H 10 3.720 4.050 -0.330 1
1 99 . 10 1 1 A 10 10 ALA CA C 10 55.800 55.426 0.374 1
1 100 . 10 1 1 A 10 10 ALA CB C 10 18.200 18.105 0.095 1
1 101 . 10 1 1 A 10 10 ALA N N 10 122.000 123.824 -1.824 1
1 102 . 10 1 1 A 11 11 GLN H H 11 7.330 8.082 -0.752 1
1 103 . 10 1 1 A 11 11 GLN HA H 11 4.050 4.046 0.004 1
1 110 . 10 1 1 A 11 11 GLN CA C 11 58.400 58.449 -0.049 1
1 111 . 10 1 1 A 11 11 GLN CB C 11 28.700 28.271 0.429 1
1 113 . 10 1 1 A 11 11 GLN N N 11 115.300 117.254 -1.954 1
1 115 . 10 1 1 A 12 12 LEU H H 12 8.510 8.508 0.002 1
1 116 . 10 1 1 A 12 12 LEU HA H 12 4.200 4.369 -0.169 1
1 126 . 10 1 1 A 12 12 LEU CA C 12 57.600 58.128 -0.528 1
1 127 . 10 1 1 A 12 12 LEU CB C 12 41.700 41.367 0.333 1
1 131 . 10 1 1 A 12 12 LEU N N 12 121.500 122.730 -1.230 1
1 132 . 10 1 1 A 13 13 ALA H H 13 9.160 8.154 1.006 1
1 133 . 10 1 1 A 13 13 ALA HA H 13 3.990 4.089 -0.099 1
1 137 . 10 1 1 A 13 13 ALA CA C 13 55.400 55.100 0.300 1
1 138 . 10 1 1 A 13 13 ALA CB C 13 17.700 17.920 -0.220 1
1 139 . 10 1 1 A 13 13 ALA N N 13 121.000 120.640 0.360 1
1 140 . 10 1 1 A 14 14 ASP H H 14 7.920 7.808 0.112 1
1 141 . 10 1 1 A 14 14 ASP HA H 14 4.480 4.266 0.214 1
1 144 . 10 1 1 A 14 14 ASP CA C 14 57.200 57.701 -0.501 1
1 145 . 10 1 1 A 14 14 ASP CB C 14 39.500 41.135 -1.635 1
1 146 . 10 1 1 A 14 14 ASP N N 14 117.400 118.820 -1.420 1
1 147 . 10 1 1 A 15 15 GLU H H 15 8.210 8.615 -0.405 1
1 148 . 10 1 1 A 15 15 GLU HA H 15 4.110 4.026 0.084 1
1 153 . 10 1 1 A 15 15 GLU CA C 15 59.800 59.243 0.557 1
1 154 . 10 1 1 A 15 15 GLU CB C 15 30.100 28.942 1.158 1
1 156 . 10 1 1 A 15 15 GLU N N 15 122.500 117.671 4.829 1
1 157 . 10 1 1 A 16 16 TYR H H 16 9.230 8.026 1.204 1
1 158 . 10 1 1 A 16 16 TYR HA H 16 3.180 4.106 -0.926 1
1 165 . 10 1 1 A 16 16 TYR CA C 16 61.100 61.417 -0.317 1
1 166 . 10 1 1 A 16 16 TYR CB C 16 38.300 38.339 -0.039 1
1 169 . 10 1 1 A 16 16 TYR N N 16 119.400 122.160 -2.760 1
1 170 . 10 1 1 A 17 17 PHE H H 17 8.700 8.175 0.525 1
1 171 . 10 1 1 A 17 17 PHE HA H 17 3.480 4.006 -0.526 1
1 178 . 10 1 1 A 17 17 PHE CA C 17 61.600 61.483 0.117 1
1 179 . 10 1 1 A 17 17 PHE CB C 17 39.300 38.987 0.313 1
1 182 . 10 1 1 A 17 17 PHE N N 17 118.400 121.094 -2.694 1
1 183 . 10 1 1 A 18 18 GLU H H 18 8.280 7.983 0.297 1
1 184 . 10 1 1 A 18 18 GLU HA H 18 3.840 3.878 -0.038 1
1 189 . 10 1 1 A 18 18 GLU CA C 18 58.800 59.936 -1.136 1
1 190 . 10 1 1 A 18 18 GLU CB C 18 29.000 29.151 -0.151 1
1 192 . 10 1 1 A 18 18 GLU N N 18 118.500 117.750 0.750 1
1 193 . 10 1 1 A 19 19 ARG H H 19 8.350 7.315 1.035 1
1 194 . 10 1 1 A 19 19 ARG HA H 19 4.200 4.078 0.122 1
1 202 . 10 1 1 A 19 19 ARG CA C 19 57.300 58.719 -1.419 1
1 203 . 10 1 1 A 19 19 ARG CB C 19 30.900 30.624 0.276 1
1 206 . 10 1 1 A 19 19 ARG N N 19 114.300 119.499 -5.199 1
1 208 . 10 1 1 A 20 20 MET H H 20 7.960 7.764 0.196 1
1 209 . 10 1 1 A 20 20 MET HA H 20 4.610 4.332 0.278 1
1 217 . 10 1 1 A 20 20 MET CA C 20 54.100 56.617 -2.517 1
1 218 . 10 1 1 A 20 20 MET CB C 20 31.800 32.987 -1.187 1
1 221 . 10 1 1 A 20 20 MET N N 20 112.400 118.099 -5.699 1
1 222 . 10 1 1 A 21 21 ILE H H 21 6.970 7.054 -0.084 1
1 223 . 10 1 1 A 21 21 ILE HA H 21 4.050 4.164 -0.114 1
1 233 . 10 1 1 A 21 21 ILE CA C 21 59.800 60.159 -0.359 1
1 234 . 10 1 1 A 21 21 ILE CB C 21 35.900 37.182 -1.282 1
1 238 . 10 1 1 A 21 21 ILE N N 21 117.900 115.319 2.581 1
1 239 . 10 1 1 A 22 22 ALA H H 22 7.700 7.477 0.223 1
1 240 . 10 1 1 A 22 22 ALA HA H 22 3.600 4.016 -0.416 1
1 244 . 10 1 1 A 22 22 ALA CA C 22 53.900 50.795 3.105 1
1 245 . 10 1 1 A 22 22 ALA CB C 22 18.000 21.684 -3.684 1
1 246 . 10 1 1 A 22 22 ALA N N 22 123.500 124.061 -0.561 1
1 247 . 10 1 1 A 23 23 GLY H H 23 8.460 8.589 -0.129 1
1 248 . 10 1 1 A 23 23 GLY HA2 H 23 3.960 4.044 -0.084 1
1 249 . 10 1 1 A 23 23 GLY HA3 H 23 3.820 4.089 -0.269 1
1 250 . 10 1 1 A 23 23 GLY CA C 23 45.600 46.140 -0.540 1
1 251 . 10 1 1 A 23 23 GLY N N 23 109.600 110.172 -0.572 1
1 252 . 10 1 1 A 24 24 ARG H H 24 7.830 7.626 0.204 1
1 253 . 10 1 1 A 24 24 ARG HA H 24 4.440 4.803 -0.363 1
1 261 . 10 1 1 A 24 24 ARG CA C 24 56.700 54.807 1.893 1
1 262 . 10 1 1 A 24 24 ARG CB C 24 32.400 32.873 -0.473 1
1 265 . 10 1 1 A 24 24 ARG N N 24 118.400 115.947 2.453 1
1 267 . 10 1 1 A 25 25 TRP H H 25 8.240 8.406 -0.166 1
1 268 . 10 1 1 A 25 25 TRP HA H 25 4.640 4.932 -0.292 1
1 277 . 10 1 1 A 25 25 TRP CA C 25 56.900 56.775 0.125 1
1 278 . 10 1 1 A 25 25 TRP CB C 25 31.400 31.164 0.236 1
1 284 . 10 1 1 A 25 25 TRP N N 25 121.500 120.118 1.382 1
1 286 . 10 1 1 A 26 26 LYS H H 26 7.890 6.841 1.049 1
1 287 . 10 1 1 A 26 26 LYS HA H 26 3.910 3.521 0.389 1
1 296 . 10 1 1 A 26 26 LYS CA C 26 56.800 56.739 0.061 1
1 297 . 10 1 1 A 26 26 LYS CB C 26 32.200 31.032 1.168 1
1 301 . 10 1 1 A 26 26 LYS N N 26 122.500 115.324 7.176 1
1 302 . 10 1 1 A 27 27 HIS H H 27 7.840 8.242 -0.402 1
1 303 . 10 1 1 A 27 27 HIS HA H 27 5.230 4.225 1.005 1
1 307 . 10 1 1 A 27 27 HIS CA C 27 53.200 56.431 -3.231 1
1 308 . 10 1 1 A 27 27 HIS CB C 27 28.200 27.940 0.260 1
1 310 . 10 1 1 A 27 27 HIS N N 27 112.700 118.666 -5.966 1
1 311 . 10 1 1 A 28 28 PRO HA H 28 4.120 4.796 -0.676 1
1 318 . 10 1 1 A 28 28 PRO CA C 28 65.400 64.934 0.466 1
1 319 . 10 1 1 A 28 28 PRO CB C 28 32.200 32.316 -0.116 1
1 322 . 10 1 1 A 29 29 ASN H H 29 8.840 8.977 -0.137 1
1 323 . 10 1 1 A 29 29 ASN HA H 29 4.470 4.499 -0.029 1
1 328 . 10 1 1 A 29 29 ASN CA C 29 56.100 55.455 0.645 1
1 329 . 10 1 1 A 29 29 ASN CB C 29 37.000 37.065 -0.065 1
1 330 . 10 1 1 A 29 29 ASN N N 29 116.300 115.012 1.288 1
1 332 . 10 1 1 A 30 30 ILE H H 30 7.630 7.837 -0.207 1
1 333 . 10 1 1 A 30 30 ILE HA H 30 3.910 3.621 0.289 1
1 343 . 10 1 1 A 30 30 ILE CA C 30 63.700 65.326 -1.626 1
1 344 . 10 1 1 A 30 30 ILE CB C 30 37.300 38.288 -0.988 1
1 348 . 10 1 1 A 30 30 ILE N N 30 121.500 121.399 0.101 1
1 349 . 10 1 1 A 31 31 VAL H H 31 6.920 8.285 -1.365 1
1 350 . 10 1 1 A 31 31 VAL HA H 31 3.020 3.777 -0.757 1
1 358 . 10 1 1 A 31 31 VAL CA C 31 65.500 64.919 0.581 1
1 359 . 10 1 1 A 31 31 VAL CB C 31 30.900 31.433 -0.533 1
1 362 . 10 1 1 A 31 31 VAL N N 31 119.900 121.509 -1.609 1
1 363 . 10 1 1 A 32 32 ARG H H 32 8.080 8.442 -0.362 1
1 364 . 10 1 1 A 32 32 ARG HA H 32 3.380 3.861 -0.481 1
1 371 . 10 1 1 A 32 32 ARG CA C 32 58.900 59.694 -0.794 1
1 372 . 10 1 1 A 32 32 ARG CB C 32 28.800 29.679 -0.879 1
1 375 . 10 1 1 A 32 32 ARG N N 32 118.900 123.607 -4.707 1
1 376 . 10 1 1 A 33 33 SER H H 33 7.840 8.359 -0.519 1
1 377 . 10 1 1 A 33 33 SER HA H 33 4.130 4.012 0.118 1
1 380 . 10 1 1 A 33 33 SER CA C 33 61.900 62.096 -0.196 1
1 381 . 10 1 1 A 33 33 SER CB C 33 62.700 62.763 -0.063 1
1 382 . 10 1 1 A 33 33 SER N N 33 113.400 116.856 -3.456 1
1 383 . 10 1 1 A 34 34 ARG H H 34 7.610 7.476 0.134 1
1 384 . 10 1 1 A 34 34 ARG HA H 34 4.370 4.480 -0.110 1
1 392 . 10 1 1 A 34 34 ARG CA C 34 58.100 59.037 -0.937 1
1 393 . 10 1 1 A 34 34 ARG CB C 34 29.600 30.526 -0.926 1
1 396 . 10 1 1 A 34 34 ARG N N 34 119.900 121.381 -1.481 1
1 398 . 10 1 1 A 35 35 ILE H H 35 8.070 8.626 -0.556 1
1 399 . 10 1 1 A 35 35 ILE HA H 35 3.470 3.572 -0.102 1
1 409 . 10 1 1 A 35 35 ILE CA C 35 65.800 65.294 0.506 1
1 410 . 10 1 1 A 35 35 ILE CB C 35 38.200 37.772 0.428 1
1 414 . 10 1 1 A 35 35 ILE N N 35 118.600 120.813 -2.213 1
1 415 . 10 1 1 A 36 36 GLU H H 36 8.710 8.482 0.228 1
1 416 . 10 1 1 A 36 36 GLU HA H 36 3.880 3.981 -0.101 1
1 421 . 10 1 1 A 36 36 GLU CA C 36 58.400 58.992 -0.592 1
1 422 . 10 1 1 A 36 36 GLU CB C 36 30.000 29.647 0.353 1
1 424 . 10 1 1 A 36 36 GLU N N 36 116.800 118.492 -1.692 1
1 425 . 10 1 1 A 37 37 LYS H H 37 8.550 7.430 1.120 1
1 426 . 10 1 1 A 37 37 LYS HA H 37 4.300 4.351 -0.051 1
1 435 . 10 1 1 A 37 37 LYS CA C 37 57.300 57.815 -0.515 1
1 436 . 10 1 1 A 37 37 LYS CB C 37 33.000 33.818 -0.818 1
1 440 . 10 1 1 A 37 37 LYS N N 37 114.300 119.966 -5.666 1
1 441 . 10 1 1 A 38 38 ASP H H 38 7.480 8.063 -0.583 1
1 442 . 10 1 1 A 38 38 ASP HA H 38 4.970 4.456 0.514 1
1 445 . 10 1 1 A 38 38 ASP CA C 38 55.300 57.183 -1.883 1
1 446 . 10 1 1 A 38 38 ASP CB C 38 42.700 40.831 1.869 1
1 447 . 10 1 1 A 38 38 ASP N N 38 113.900 119.602 -5.702 1
1 448 . 10 1 1 A 39 39 ILE H H 39 7.540 8.220 -0.680 1
1 449 . 10 1 1 A 39 39 ILE HA H 39 3.940 4.030 -0.090 1
1 459 . 10 1 1 A 39 39 ILE CA C 39 64.700 63.603 1.097 1
1 460 . 10 1 1 A 39 39 ILE CB C 39 39.000 39.003 -0.003 1
1 464 . 10 1 1 A 39 39 ILE N N 39 116.800 118.089 -1.289 1
1 465 . 10 1 1 A 40 40 LYS H H 40 8.840 7.556 1.284 1
1 466 . 10 1 1 A 40 40 LYS HA H 40 3.650 4.729 -1.079 1
1 475 . 10 1 1 A 40 40 LYS CA C 40 50.600 53.885 -3.285 1
1 476 . 10 1 1 A 40 40 LYS CB C 40 30.400 33.112 -2.712 1
1 480 . 10 1 1 A 40 40 LYS N N 40 118.400 121.089 -2.689 1
1 481 . 10 1 1 A 41 41 PRO HA H 41 4.280 4.677 -0.397 1
1 488 . 10 1 1 A 41 41 PRO CA C 41 65.700 64.120 1.580 1
1 489 . 10 1 1 A 41 41 PRO CB C 41 30.700 31.963 -1.263 1
1 492 . 10 1 1 A 42 42 ALA H H 42 6.660 7.937 -1.277 1
1 493 . 10 1 1 A 42 42 ALA HA H 42 4.430 4.509 -0.079 1
1 497 . 10 1 1 A 42 42 ALA CA C 42 53.800 52.998 0.802 1
1 498 . 10 1 1 A 42 42 ALA CB C 42 20.800 21.385 -0.585 1
1 499 . 10 1 1 A 42 42 ALA N N 42 115.300 118.745 -3.445 1
1 500 . 10 1 1 A 43 43 ILE H H 43 7.540 7.650 -0.110 1
1 501 . 10 1 1 A 43 43 ILE HA H 43 4.810 4.068 0.742 1
1 511 . 10 1 1 A 43 43 ILE CA C 43 60.600 60.718 -0.118 1
1 512 . 10 1 1 A 43 43 ILE CB C 43 41.200 36.843 4.357 1
1 516 . 10 1 1 A 43 43 ILE N N 43 105.000 114.663 -9.663 1
1 517 . 10 1 1 A 44 44 GLY H H 44 8.500 8.401 0.099 1
1 518 . 10 1 1 A 44 44 GLY HA2 H 44 4.170 4.347 -0.177 1
1 519 . 10 1 1 A 44 44 GLY HA3 H 44 3.430 4.356 -0.926 1
1 520 . 10 1 1 A 44 44 GLY CA C 44 47.300 43.995 3.305 1
1 521 . 10 1 1 A 44 44 GLY N N 44 109.600 112.999 -3.399 1
1 522 . 10 1 1 A 45 45 SER H H 45 8.120 8.686 -0.566 1
1 523 . 10 1 1 A 45 45 SER HA H 45 4.440 4.046 0.394 1
1 526 . 10 1 1 A 45 45 SER CA C 45 58.600 59.260 -0.660 1
1 527 . 10 1 1 A 45 45 SER CB C 45 63.400 61.651 1.749 1
1 528 . 10 1 1 A 45 45 SER N N 45 110.400 114.160 -3.760 1
1 529 . 10 1 1 A 46 46 LEU H H 46 7.480 7.740 -0.260 1
1 530 . 10 1 1 A 46 46 LEU HA H 46 4.180 4.531 -0.351 1
1 540 . 10 1 1 A 46 46 LEU CA C 46 54.800 53.568 1.232 1
1 541 . 10 1 1 A 46 46 LEU CB C 46 41.700 42.545 -0.845 1
1 545 . 10 1 1 A 46 46 LEU N N 46 122.600 121.025 1.575 1
1 546 . 10 1 1 A 47 47 LYS H H 47 8.790 8.023 0.767 1
1 547 . 10 1 1 A 47 47 LYS HA H 47 4.460 4.170 0.290 1
1 556 . 10 1 1 A 47 47 LYS CA C 47 56.700 58.632 -1.932 1
1 557 . 10 1 1 A 47 47 LYS CB C 47 31.100 31.409 -0.309 1
1 561 . 10 1 1 A 47 47 LYS N N 47 120.800 117.546 3.254 1
1 562 . 10 1 1 A 48 48 VAL H H 48 8.600 8.613 -0.013 1
1 563 . 10 1 1 A 48 48 VAL HA H 48 3.470 3.790 -0.320 1
1 571 . 10 1 1 A 48 48 VAL CA C 48 66.900 66.153 0.747 1
1 572 . 10 1 1 A 48 48 VAL CB C 48 31.000 31.898 -0.898 1
1 575 . 10 1 1 A 48 48 VAL N N 48 123.000 120.709 2.291 1
1 576 . 10 1 1 A 49 49 GLU H H 49 9.360 8.396 0.964 1
1 577 . 10 1 1 A 49 49 GLU HA H 49 4.180 4.355 -0.175 1
1 582 . 10 1 1 A 49 49 GLU CA C 49 57.600 58.418 -0.818 1
1 583 . 10 1 1 A 49 49 GLU CB C 49 28.500 29.107 -0.607 1
1 585 . 10 1 1 A 49 49 GLU N N 49 115.300 118.690 -3.390 1
1 586 . 10 1 1 A 50 50 ASP H H 50 7.840 7.914 -0.074 1
1 587 . 10 1 1 A 50 50 ASP HA H 50 4.840 4.671 0.169 1
1 590 . 10 1 1 A 50 50 ASP CA C 50 53.800 54.532 -0.732 1
1 591 . 10 1 1 A 50 50 ASP CB C 50 41.400 41.207 0.193 1
1 592 . 10 1 1 A 50 50 ASP N N 50 118.900 119.783 -0.883 1
1 593 . 10 1 1 A 51 51 VAL H H 51 7.150 7.424 -0.274 1
1 594 . 10 1 1 A 51 51 VAL HA H 51 3.950 4.195 -0.245 1
1 602 . 10 1 1 A 51 51 VAL CA C 51 63.700 62.279 1.421 1
1 603 . 10 1 1 A 51 51 VAL CB C 51 30.900 32.134 -1.234 1
1 606 . 10 1 1 A 51 51 VAL N N 51 119.900 119.009 0.891 1
1 607 . 10 1 1 A 52 52 LYS H H 52 11.840 8.387 3.453 1
1 608 . 10 1 1 A 52 52 LYS HA H 52 4.980 4.512 0.468 1
1 617 . 10 1 1 A 52 52 LYS CA C 52 52.800 53.325 -0.525 1
1 618 . 10 1 1 A 52 52 LYS CB C 52 33.100 32.961 0.139 1
1 622 . 10 1 1 A 52 52 LYS N N 52 133.900 129.663 4.237 1
1 623 . 10 1 1 A 53 53 PRO HA H 53 4.370 4.270 0.100 1
1 630 . 10 1 1 A 53 53 PRO CA C 53 66.600 65.766 0.834 1
1 631 . 10 1 1 A 53 53 PRO CB C 53 31.600 31.781 -0.181 1
1 634 . 10 1 1 A 54 54 ARG H H 54 8.180 8.107 0.073 1
1 635 . 10 1 1 A 54 54 ARG HA H 54 4.200 4.775 -0.575 1
1 643 . 10 1 1 A 54 54 ARG CA C 54 58.300 58.927 -0.627 1
1 644 . 10 1 1 A 54 54 ARG CB C 54 28.700 29.769 -1.069 1
1 647 . 10 1 1 A 54 54 ARG N N 54 113.800 118.264 -4.464 1
1 649 . 10 1 1 A 55 55 HIS H H 55 7.650 7.539 0.111 1
1 650 . 10 1 1 A 55 55 HIS HA H 55 4.430 4.413 0.017 1
1 655 . 10 1 1 A 55 55 HIS CA C 55 60.500 59.657 0.843 1
1 656 . 10 1 1 A 55 55 HIS CB C 55 31.400 29.859 1.541 1
1 659 . 10 1 1 A 55 55 HIS N N 55 118.400 117.833 0.567 1
1 660 . 10 1 1 A 56 56 ILE H H 56 7.280 7.555 -0.275 1
1 661 . 10 1 1 A 56 56 ILE HA H 56 3.480 3.693 -0.213 1
1 671 . 10 1 1 A 56 56 ILE CA C 56 61.900 64.351 -2.451 1
1 672 . 10 1 1 A 56 56 ILE CB C 56 33.900 37.517 -3.617 1
1 676 . 10 1 1 A 56 56 ILE N N 56 117.400 119.869 -2.469 1
1 677 . 10 1 1 A 57 57 ASP H H 57 8.010 8.691 -0.681 1
1 678 . 10 1 1 A 57 57 ASP HA H 57 4.220 4.409 -0.189 1
1 681 . 10 1 1 A 57 57 ASP CA C 57 57.200 57.092 0.108 1
1 682 . 10 1 1 A 57 57 ASP CB C 57 40.900 39.797 1.103 1
1 683 . 10 1 1 A 57 57 ASP N N 57 119.400 120.566 -1.166 1
1 684 . 10 1 1 A 58 58 ASP H H 58 8.000 7.822 0.178 1
1 685 . 10 1 1 A 58 58 ASP HA H 58 4.380 4.447 -0.067 1
1 688 . 10 1 1 A 58 58 ASP CA C 58 57.600 57.246 0.354 1
1 689 . 10 1 1 A 58 58 ASP CB C 58 39.200 41.257 -2.057 1
1 690 . 10 1 1 A 58 58 ASP N N 58 117.400 120.411 -3.011 1
1 691 . 10 1 1 A 59 59 VAL H H 59 7.800 7.589 0.211 1
1 692 . 10 1 1 A 59 59 VAL HA H 59 3.620 3.812 -0.192 1
1 700 . 10 1 1 A 59 59 VAL CA C 59 66.200 65.577 0.623 1
1 701 . 10 1 1 A 59 59 VAL CB C 59 31.400 31.469 -0.069 1
1 704 . 10 1 1 A 59 59 VAL N N 59 121.200 117.264 3.936 1
1 705 . 10 1 1 A 60 60 LEU H H 60 8.030 8.459 -0.429 1
1 706 . 10 1 1 A 60 60 LEU HA H 60 3.870 3.916 -0.046 1
1 716 . 10 1 1 A 60 60 LEU CA C 60 58.000 57.763 0.237 1
1 717 . 10 1 1 A 60 60 LEU CB C 60 40.300 40.886 -0.586 1
1 721 . 10 1 1 A 60 60 LEU N N 60 118.900 121.810 -2.910 1
1 722 . 10 1 1 A 61 61 LYS H H 61 8.710 7.849 0.861 1
1 723 . 10 1 1 A 61 61 LYS HA H 61 3.920 4.030 -0.110 1
1 732 . 10 1 1 A 61 61 LYS CA C 61 59.600 58.711 0.889 1
1 733 . 10 1 1 A 61 61 LYS CB C 61 32.500 32.223 0.277 1
1 737 . 10 1 1 A 61 61 LYS N N 61 118.300 121.502 -3.202 1
1 738 . 10 1 1 A 62 62 ALA H H 62 7.590 7.591 -0.001 1
1 739 . 10 1 1 A 62 62 ALA HA H 62 4.170 4.048 0.122 1
1 743 . 10 1 1 A 62 62 ALA CA C 62 55.100 55.046 0.054 1
1 744 . 10 1 1 A 62 62 ALA CB C 62 17.900 18.595 -0.695 1
1 745 . 10 1 1 A 62 62 ALA N N 62 121.000 122.182 -1.182 1
1 746 . 10 1 1 A 63 63 VAL H H 63 8.090 8.074 0.016 1
1 747 . 10 1 1 A 63 63 VAL HA H 63 3.710 3.838 -0.128 1
1 755 . 10 1 1 A 63 63 VAL CA C 63 65.700 65.032 0.668 1
1 756 . 10 1 1 A 63 63 VAL CB C 63 31.700 31.278 0.422 1
1 759 . 10 1 1 A 63 63 VAL N N 63 118.000 116.020 1.980 1
1 760 . 10 1 1 A 64 64 MET H H 64 8.360 8.191 0.169 1
1 761 . 10 1 1 A 64 64 MET HA H 64 4.110 4.134 -0.024 1
1 769 . 10 1 1 A 64 64 MET CA C 64 57.600 58.052 -0.452 1
1 770 . 10 1 1 A 64 64 MET CB C 64 31.700 32.362 -0.662 1
1 773 . 10 1 1 A 64 64 MET N N 64 119.400 118.841 0.559 1
1 774 . 10 1 1 A 65 65 LYS H H 65 7.660 7.586 0.074 1
1 775 . 10 1 1 A 65 65 LYS HA H 65 4.170 4.068 0.102 1
1 784 . 10 1 1 A 65 65 LYS CA C 65 58.100 59.222 -1.122 1
1 785 . 10 1 1 A 65 65 LYS CB C 65 32.500 32.361 0.139 1
1 789 . 10 1 1 A 65 65 LYS N N 65 118.900 119.718 -0.818 1
1 790 . 10 1 1 A 66 66 ARG H H 66 7.600 8.318 -0.718 1
1 791 . 10 1 1 A 66 66 ARG HA H 66 4.430 4.084 0.346 1
1 799 . 10 1 1 A 66 66 ARG CA C 66 56.600 59.114 -2.514 1
1 800 . 10 1 1 A 66 66 ARG CB C 66 30.400 30.011 0.389 1
1 803 . 10 1 1 A 66 66 ARG N N 66 115.800 119.257 -3.457 1
1 805 . 10 1 1 A 67 67 GLY H H 67 7.830 7.788 0.042 1
1 806 . 10 1 1 A 67 67 GLY HA2 H 67 4.010 4.029 -0.019 1
1 807 . 10 1 1 A 67 67 GLY HA3 H 67 3.980 4.030 -0.050 1
1 808 . 10 1 1 A 67 67 GLY CA C 67 45.700 46.054 -0.354 1
1 809 . 10 1 1 A 67 67 GLY N N 67 107.400 107.684 -0.284 1
1 810 . 10 1 1 A 68 68 ALA H H 68 7.730 7.960 -0.230 1
1 811 . 10 1 1 A 68 68 ALA HA H 68 4.980 4.650 0.330 1
1 815 . 10 1 1 A 68 68 ALA CA C 68 49.700 50.305 -0.605 1
1 816 . 10 1 1 A 68 68 ALA CB C 68 18.900 21.538 -2.638 1
1 817 . 10 1 1 A 68 68 ALA N N 68 122.500 119.078 3.422 1
1 818 . 10 1 1 A 69 69 PRO HA H 69 4.350 4.223 0.127 1
1 825 . 10 1 1 A 69 69 PRO CA C 69 65.400 65.162 0.238 1
1 826 . 10 1 1 A 69 69 PRO CB C 69 31.700 32.129 -0.429 1
1 829 . 10 1 1 A 70 70 SER H H 70 8.430 8.441 -0.011 1
1 830 . 10 1 1 A 70 70 SER HA H 70 4.250 4.216 0.034 1
1 833 . 10 1 1 A 70 70 SER CA C 70 61.000 61.483 -0.483 1
1 834 . 10 1 1 A 70 70 SER CB C 70 61.500 62.810 -1.310 1
1 835 . 10 1 1 A 70 70 SER N N 70 112.200 113.917 -1.717 1
1 836 . 10 1 1 A 71 71 ILE H H 71 7.430 7.861 -0.431 1
1 837 . 10 1 1 A 71 71 ILE HA H 71 3.980 3.770 0.210 1
1 847 . 10 1 1 A 71 71 ILE CA C 71 63.100 65.039 -1.939 1
1 848 . 10 1 1 A 71 71 ILE CB C 71 36.700 37.343 -0.643 1
1 852 . 10 1 1 A 71 71 ILE N N 71 122.000 121.693 0.307 1
1 853 . 10 1 1 A 72 72 ALA H H 72 7.780 7.749 0.031 1
1 854 . 10 1 1 A 72 72 ALA HA H 72 3.910 3.960 -0.050 1
1 858 . 10 1 1 A 72 72 ALA CA C 72 55.800 55.225 0.575 1
1 859 . 10 1 1 A 72 72 ALA CB C 72 17.900 17.964 -0.064 1
1 860 . 10 1 1 A 72 72 ALA N N 72 126.100 122.094 4.006 1
1 861 . 10 1 1 A 73 73 ASN H H 73 8.180 7.867 0.313 1
1 862 . 10 1 1 A 73 73 ASN HA H 73 4.410 4.511 -0.101 1
1 867 . 10 1 1 A 73 73 ASN CA C 73 55.900 55.855 0.045 1
1 868 . 10 1 1 A 73 73 ASN CB C 73 37.800 38.066 -0.266 1
1 869 . 10 1 1 A 73 73 ASN N N 73 116.700 116.885 -0.185 1
1 871 . 10 1 1 A 74 74 ASP H H 74 8.120 8.069 0.051 1
1 872 . 10 1 1 A 74 74 ASP HA H 74 4.410 4.368 0.042 1
1 875 . 10 1 1 A 74 74 ASP CA C 74 57.500 56.985 0.515 1
1 876 . 10 1 1 A 74 74 ASP CB C 74 41.400 41.416 -0.016 1
1 877 . 10 1 1 A 74 74 ASP N N 74 120.800 119.664 1.136 1
1 878 . 10 1 1 A 75 75 THR H H 75 8.360 8.262 0.098 1
1 879 . 10 1 1 A 75 75 THR HA H 75 3.750 4.207 -0.457 1
1 884 . 10 1 1 A 75 75 THR CA C 75 68.800 66.867 1.933 1
1 885 . 10 1 1 A 75 75 THR CB C 75 67.700 67.890 -0.190 1
1 887 . 10 1 1 A 75 75 THR N N 75 116.300 116.397 -0.097 1
1 888 . 10 1 1 A 76 76 LEU H H 76 8.160 7.864 0.296 1
1 889 . 10 1 1 A 76 76 LEU HA H 76 3.980 4.021 -0.041 1
1 899 . 10 1 1 A 76 76 LEU CA C 76 58.000 57.756 0.244 1
1 900 . 10 1 1 A 76 76 LEU CB C 76 40.500 40.773 -0.273 1
1 904 . 10 1 1 A 76 76 LEU N N 76 121.000 121.999 -0.999 1
1 905 . 10 1 1 A 77 77 ARG H H 77 7.810 7.922 -0.112 1
1 906 . 10 1 1 A 77 77 ARG HA H 77 3.790 3.762 0.028 1
1 914 . 10 1 1 A 77 77 ARG CA C 77 60.000 59.434 0.566 1
1 915 . 10 1 1 A 77 77 ARG CB C 77 29.400 29.559 -0.159 1
1 918 . 10 1 1 A 77 77 ARG N N 77 118.400 119.735 -1.335 1
1 920 . 10 1 1 A 78 78 TRP H H 78 7.870 7.888 -0.018 1
1 921 . 10 1 1 A 78 78 TRP HA H 78 4.490 4.460 0.030 1
1 930 . 10 1 1 A 78 78 TRP CA C 78 60.200 59.854 0.346 1
1 931 . 10 1 1 A 78 78 TRP CB C 78 28.700 29.858 -1.158 1
1 937 . 10 1 1 A 78 78 TRP N N 78 118.300 120.399 -2.099 1
1 939 . 10 1 1 A 79 79 LEU H H 79 8.630 8.921 -0.291 1
1 940 . 10 1 1 A 79 79 LEU HA H 79 3.940 3.662 0.278 1
1 950 . 10 1 1 A 79 79 LEU CA C 79 58.200 58.007 0.193 1
1 951 . 10 1 1 A 79 79 LEU CB C 79 42.300 41.484 0.816 1
1 955 . 10 1 1 A 79 79 LEU N N 79 120.200 120.386 -0.186 1
1 956 . 10 1 1 A 80 80 LYS H H 80 8.710 8.561 0.149 1
1 957 . 10 1 1 A 80 80 LYS HA H 80 3.880 3.994 -0.114 1
1 966 . 10 1 1 A 80 80 LYS CA C 80 61.300 59.900 1.400 1
1 967 . 10 1 1 A 80 80 LYS CB C 80 32.300 32.557 -0.257 1
1 971 . 10 1 1 A 80 80 LYS N N 80 118.400 120.131 -1.731 1
1 972 . 10 1 1 A 81 81 ARG H H 81 7.800 7.653 0.147 1
1 973 . 10 1 1 A 81 81 ARG HA H 81 4.030 4.111 -0.081 1
1 981 . 10 1 1 A 81 81 ARG CA C 81 59.700 59.761 -0.061 1
1 982 . 10 1 1 A 81 81 ARG CB C 81 30.400 30.121 0.279 1
1 985 . 10 1 1 A 81 81 ARG N N 81 117.400 118.320 -0.920 1
1 987 . 10 1 1 A 82 82 MET H H 82 8.530 8.020 0.510 1
1 988 . 10 1 1 A 82 82 MET HA H 82 3.000 3.770 -0.770 1
1 996 . 10 1 1 A 82 82 MET CA C 82 58.900 58.451 0.449 1
1 997 . 10 1 1 A 82 82 MET CB C 82 32.300 31.460 0.840 1
1 1000 . 10 1 1 A 82 82 MET N N 82 121.400 118.791 2.609 1
1 1001 . 10 1 1 A 83 83 PHE H H 83 8.340 8.242 0.098 1
1 1002 . 10 1 1 A 83 83 PHE HA H 83 4.340 4.266 0.074 1
1 1010 . 10 1 1 A 83 83 PHE CA C 83 61.900 60.934 0.966 1
1 1011 . 10 1 1 A 83 83 PHE CB C 83 38.800 38.685 0.115 1
1 1015 . 10 1 1 A 83 83 PHE N N 83 116.900 117.772 -0.872 1
1 1016 . 10 1 1 A 84 84 ASN H H 84 8.170 8.468 -0.298 1
1 1017 . 10 1 1 A 84 84 ASN HA H 84 4.670 4.522 0.148 1
1 1022 . 10 1 1 A 84 84 ASN CA C 84 55.800 56.223 -0.423 1
1 1023 . 10 1 1 A 84 84 ASN CB C 84 37.500 39.212 -1.712 1
1 1024 . 10 1 1 A 84 84 ASN N N 84 120.500 118.482 2.018 1
1 1026 . 10 1 1 A 85 85 TYR H H 85 7.910 8.514 -0.604 1
1 1027 . 10 1 1 A 85 85 TYR HA H 85 4.320 4.239 0.081 1
1 1034 . 10 1 1 A 85 85 TYR CA C 85 61.100 62.062 -0.962 1
1 1035 . 10 1 1 A 85 85 TYR CB C 85 37.900 38.733 -0.833 1
1 1038 . 10 1 1 A 85 85 TYR N N 85 124.000 120.944 3.056 1
1 1039 . 10 1 1 A 86 86 ALA H H 86 7.780 8.019 -0.239 1
1 1040 . 10 1 1 A 86 86 ALA HA H 86 3.670 4.007 -0.337 1
1 1044 . 10 1 1 A 86 86 ALA CA C 86 54.800 55.006 -0.206 1
1 1045 . 10 1 1 A 86 86 ALA CB C 86 18.100 18.279 -0.179 1
1 1046 . 10 1 1 A 86 86 ALA N N 86 120.500 121.403 -0.903 1
1 1047 . 10 1 1 A 87 87 ILE H H 87 7.880 7.898 -0.018 1
1 1048 . 10 1 1 A 87 87 ILE HA H 87 4.240 3.691 0.549 1
1 1058 . 10 1 1 A 87 87 ILE CA C 87 63.900 65.310 -1.410 1
1 1059 . 10 1 1 A 87 87 ILE CB C 87 37.900 37.544 0.356 1
1 1063 . 10 1 1 A 87 87 ILE N N 87 120.400 118.949 1.451 1
1 1064 . 10 1 1 A 88 88 LYS H H 88 7.880 8.435 -0.555 1
1 1065 . 10 1 1 A 88 88 LYS HA H 88 3.900 3.933 -0.033 1
1 1074 . 10 1 1 A 88 88 LYS CA C 88 58.900 59.500 -0.600 1
1 1075 . 10 1 1 A 88 88 LYS CB C 88 31.300 32.343 -1.043 1
1 1079 . 10 1 1 A 88 88 LYS N N 88 124.300 122.202 2.098 1
1 1080 . 10 1 1 A 89 89 ARG H H 89 7.350 7.630 -0.280 1
1 1081 . 10 1 1 A 89 89 ARG HA H 89 4.020 4.298 -0.278 1
1 1088 . 10 1 1 A 89 89 ARG CA C 89 54.600 55.588 -0.988 1
1 1089 . 10 1 1 A 89 89 ARG CB C 89 29.100 30.071 -0.971 1
1 1092 . 10 1 1 A 89 89 ARG N N 89 114.300 118.899 -4.599 1
1 1093 . 10 1 1 A 90 90 HIS H H 90 8.030 8.167 -0.137 1
1 1094 . 10 1 1 A 90 90 HIS HA H 90 4.330 4.247 0.083 1
1 1098 . 10 1 1 A 90 90 HIS CA C 90 56.300 57.047 -0.747 1
1 1099 . 10 1 1 A 90 90 HIS CB C 90 25.200 27.449 -2.249 1
1 1101 . 10 1 1 A 90 90 HIS N N 90 113.200 117.265 -4.065 1
1 1102 . 10 1 1 A 91 91 ILE H H 91 8.370 8.390 -0.020 1
1 1103 . 10 1 1 A 91 91 ILE HA H 91 3.830 3.803 0.027 1
1 1113 . 10 1 1 A 91 91 ILE CA C 91 63.600 63.236 0.364 1
1 1114 . 10 1 1 A 91 91 ILE CB C 91 39.300 38.770 0.530 1
1 1118 . 10 1 1 A 91 91 ILE N N 91 118.400 117.330 1.070 1
1 1119 . 10 1 1 A 92 92 ILE H H 92 6.860 7.561 -0.701 1
1 1120 . 10 1 1 A 92 92 ILE HA H 92 4.570 4.763 -0.193 1
1 1130 . 10 1 1 A 92 92 ILE CA C 92 58.800 58.377 0.423 1
1 1131 . 10 1 1 A 92 92 ILE CB C 92 42.700 40.873 1.827 1
1 1135 . 10 1 1 A 92 92 ILE N N 92 108.600 117.767 -9.167 1
1 1136 . 10 1 1 A 93 93 GLU H H 93 8.690 8.745 -0.055 1
1 1137 . 10 1 1 A 93 93 GLU HA H 93 4.470 4.372 0.098 1
1 1142 . 10 1 1 A 93 93 GLU CA C 93 56.400 56.802 -0.402 1
1 1143 . 10 1 1 A 93 93 GLU CB C 93 31.200 31.535 -0.335 1
1 1145 . 10 1 1 A 93 93 GLU N N 93 116.800 123.484 -6.684 1
1 1146 . 10 1 1 A 94 94 TYR H H 94 7.420 7.802 -0.382 1
1 1147 . 10 1 1 A 94 94 TYR HA H 94 4.710 4.233 0.477 1
1 1154 . 10 1 1 A 94 94 TYR CA C 94 55.800 61.115 -5.315 1
1 1155 . 10 1 1 A 94 94 TYR CB C 94 40.600 38.625 1.975 1
1 1158 . 10 1 1 A 94 94 TYR N N 94 117.900 117.301 0.599 1
1 1159 . 10 1 1 A 95 95 ASN H H 95 8.960 8.140 0.820 1
1 1160 . 10 1 1 A 95 95 ASN HA H 95 4.550 4.260 0.290 1
1 1165 . 10 1 1 A 95 95 ASN CA C 95 49.700 53.764 -4.064 1
1 1166 . 10 1 1 A 95 95 ASN CB C 95 39.200 36.817 2.383 1
1 1167 . 10 1 1 A 95 95 ASN N N 95 122.500 117.883 4.617 1
1 1169 . 10 1 1 A 96 96 PRO HA H 96 4.300 4.398 -0.098 1
1 1176 . 10 1 1 A 96 96 PRO CA C 96 64.000 63.792 0.208 1
1 1177 . 10 1 1 A 96 96 PRO CB C 96 31.100 31.589 -0.489 1
1 1180 . 10 1 1 A 97 97 ALA H H 97 8.090 8.102 -0.012 1
1 1181 . 10 1 1 A 97 97 ALA HA H 97 4.540 4.287 0.253 1
1 1185 . 10 1 1 A 97 97 ALA CA C 97 51.200 54.262 -3.062 1
1 1186 . 10 1 1 A 97 97 ALA CB C 97 18.900 18.588 0.312 1
1 1187 . 10 1 1 A 97 97 ALA N N 97 118.400 121.584 -3.184 1
1 1188 . 10 1 1 A 98 98 ALA H H 98 7.330 7.757 -0.427 1
1 1189 . 10 1 1 A 98 98 ALA HA H 98 3.990 4.233 -0.243 1
1 1193 . 10 1 1 A 98 98 ALA CA C 98 54.700 53.530 1.170 1
1 1194 . 10 1 1 A 98 98 ALA CB C 98 18.900 18.316 0.584 1
1 1195 . 10 1 1 A 98 98 ALA N N 98 120.500 119.450 1.050 1
1 1196 . 10 1 1 A 99 99 ALA H H 99 8.020 7.585 0.435 1
1 1197 . 10 1 1 A 99 99 ALA HA H 99 4.180 4.179 0.001 1
1 1201 . 10 1 1 A 99 99 ALA CA C 99 52.500 54.226 -1.726 1
1 1202 . 10 1 1 A 99 99 ALA CB C 99 18.200 18.521 -0.321 1
1 1203 . 10 1 1 A 99 99 ALA N N 99 117.400 120.669 -3.269 1
1 1204 . 10 1 1 A 100 100 PHE H H 100 7.320 7.779 -0.459 1
1 1205 . 10 1 1 A 100 100 PHE HA H 100 4.360 4.737 -0.377 1
1 1210 . 10 1 1 A 100 100 PHE CA C 100 57.700 59.825 -2.125 1
1 1211 . 10 1 1 A 100 100 PHE CB C 100 40.500 40.837 -0.337 1
1 1213 . 10 1 1 A 100 100 PHE N N 100 117.400 117.953 -0.553 1
1 1214 . 10 1 1 A 101 101 ASP H H 101 8.520 8.211 0.309 1
1 1215 . 10 1 1 A 101 101 ASP HA H 101 4.910 4.565 0.345 1
1 1218 . 10 1 1 A 101 101 ASP CA C 101 51.400 54.959 -3.559 1
1 1219 . 10 1 1 A 101 101 ASP CB C 101 41.400 39.597 1.803 1
1 1220 . 10 1 1 A 101 101 ASP N N 101 122.600 118.476 4.124 1
1 1221 . 10 1 1 A 102 102 PRO HA H 102 4.350 4.521 -0.171 1
1 1228 . 10 1 1 A 102 102 PRO CA C 102 63.400 63.989 -0.589 1
1 1229 . 10 1 1 A 102 102 PRO CB C 102 31.900 32.165 -0.265 1
1 1232 . 10 1 1 A 103 103 GLY H H 103 8.440 8.834 -0.394 1
1 1233 . 10 1 1 A 103 103 GLY HA2 H 103 3.890 3.838 0.052 1
1 1234 . 10 1 1 A 103 103 GLY HA3 H 103 3.860 3.839 0.021 1
1 1235 . 10 1 1 A 103 103 GLY CA C 103 45.100 46.735 -1.635 1
1 1236 . 10 1 1 A 103 103 GLY N N 103 108.300 112.620 -4.320 1
1 1237 . 10 1 1 A 104 104 ASP H H 104 8.100 8.795 -0.695 1
1 1238 . 10 1 1 A 104 104 ASP HA H 104 4.620 4.718 -0.098 1
1 1241 . 10 1 1 A 104 104 ASP CA C 104 53.900 53.263 0.637 1
1 1242 . 10 1 1 A 104 104 ASP CB C 104 40.700 40.467 0.233 1
1 1243 . 10 1 1 A 104 104 ASP N N 104 120.100 125.818 -5.718 1
1 1244 . 10 1 1 A 105 105 ALA H H 105 8.360 7.061 1.299 1
1 1245 . 10 1 1 A 105 105 ALA HA H 105 4.270 4.221 0.049 1
1 1249 . 10 1 1 A 105 105 ALA CA C 105 52.900 53.043 -0.143 1
1 1250 . 10 1 1 A 105 105 ALA CB C 105 18.800 19.268 -0.468 1
1 1251 . 10 1 1 A 105 105 ALA N N 105 124.600 123.216 1.384 1
1 1252 . 10 1 1 A 106 106 GLY H H 106 8.470 8.624 -0.154 1
1 1253 . 10 1 1 A 106 106 GLY HA2 H 106 3.930 4.266 -0.336 1
1 1254 . 10 1 1 A 106 106 GLY HA3 H 106 3.910 4.266 -0.356 1
1 1255 . 10 1 1 A 106 106 GLY CA C 106 45.400 44.625 0.775 1
1 1256 . 10 1 1 A 106 106 GLY N N 106 107.500 111.703 -4.203 1
1 1257 . 10 1 1 A 107 107 GLY H H 107 8.170 8.795 -0.625 1
1 1258 . 10 1 1 A 107 107 GLY HA2 H 107 3.950 3.981 -0.031 1
1 1259 . 10 1 1 A 107 107 GLY HA3 H 107 3.940 3.993 -0.053 1
1 1260 . 10 1 1 A 107 107 GLY CA C 107 45.300 45.418 -0.118 1
1 1261 . 10 1 1 A 107 107 GLY N N 107 108.600 113.235 -4.635 1
1 1262 . 10 1 1 A 108 108 LYS H H 108 8.160 7.864 0.296 1
1 1263 . 10 1 1 A 108 108 LYS HA H 108 4.260 4.193 0.067 1
1 1272 . 10 1 1 A 108 108 LYS CA C 108 56.500 57.148 -0.648 1
1 1273 . 10 1 1 A 108 108 LYS CB C 108 32.800 31.334 1.466 1
1 1277 . 10 1 1 A 108 108 LYS N N 108 120.500 115.210 5.290 1
1 1278 . 10 1 1 A 109 109 LEU H H 109 8.220 8.345 -0.125 1
1 1279 . 10 1 1 A 109 109 LEU HA H 109 4.260 4.237 0.023 1
1 1289 . 10 1 1 A 109 109 LEU CA C 109 55.000 57.540 -2.540 1
1 1290 . 10 1 1 A 109 109 LEU CB C 109 41.900 42.416 -0.516 1
1 1294 . 10 1 1 A 109 109 LEU N N 109 122.200 126.672 -4.472 1
1 1295 . 10 1 1 A 110 110 GLU H H 110 8.160 7.623 0.537 1
1 1296 . 10 1 1 A 110 110 GLU HA H 110 4.190 4.066 0.124 1
1 1301 . 10 1 1 A 110 110 GLU CA C 110 56.000 55.514 0.486 1
1 1302 . 10 1 1 A 110 110 GLU CB C 110 29.900 28.583 1.317 1
1 1304 . 10 1 1 A 110 110 GLU N N 110 121.000 118.705 2.295 1
1 1305 . 10 1 1 A 111 111 HIS H H 111 8.460 8.859 -0.399 1
1 1306 . 10 1 1 A 111 111 HIS HA H 111 4.630 4.671 -0.041 1
1 1309 . 10 1 1 A 111 111 HIS CA C 111 54.900 58.521 -3.621 1
1 1310 . 10 1 1 A 111 111 HIS CB C 111 28.700 31.658 -2.958 1
1 1311 . 10 1 1 A 111 111 HIS N N 111 118.900 125.843 -6.943 1
1 1312 . 10 1 1 A 112 112 HIS H H 112 8.540 8.381 0.159 1
1 1313 . 10 1 1 A 112 112 HIS HA H 112 4.640 4.698 -0.058 1
1 1316 . 10 1 1 A 112 112 HIS CA C 112 55.100 57.200 -2.100 1
1 1317 . 10 1 1 A 112 112 HIS CB C 112 28.900 31.526 -2.626 1
1 1318 . 10 1 1 A 112 112 HIS N N 112 119.100 118.105 0.995 1
1 1319 . 10 1 1 A 113 113 HIS H H 113 8.630 8.395 0.235 1
1 1320 . 10 1 1 A 113 113 HIS HA H 113 4.670 4.472 0.198 1
1 1323 . 10 1 1 A 113 113 HIS CA C 113 55.200 58.240 -3.040 1
1 1324 . 10 1 1 A 113 113 HIS CB C 113 28.900 28.507 0.393 1
1 1325 . 10 1 1 A 113 113 HIS N N 113 119.400 116.559 2.841 1
1 1326 . 10 1 1 A 114 114 HIS H H 114 8.670 8.970 -0.300 1
1 1327 . 10 1 1 A 114 114 HIS HA H 114 4.670 4.475 0.195 1
1 1330 . 10 1 1 A 114 114 HIS CA C 114 55.200 57.601 -2.401 1
1 1331 . 10 1 1 A 114 114 HIS CB C 114 29.100 29.720 -0.620 1
1 1332 . 10 1 1 A 114 114 HIS N N 114 120.400 120.003 0.397 1
1 1333 . 10 1 1 A 115 115 HIS H H 115 8.560 8.846 -0.286 1
1 1334 . 10 1 1 A 115 115 HIS HA H 115 4.660 4.437 0.223 1
1 1337 . 10 1 1 A 115 115 HIS CA C 115 55.300 56.690 -1.390 1
1 1338 . 10 1 1 A 115 115 HIS CB C 115 29.300 28.542 0.758 1
1 1339 . 10 1 1 A 115 115 HIS N N 115 120.600 116.825 3.775 1
1 5 . 11 1 1 A 2 2 ALA H H 2 8.190 8.801 -0.611 1
1 6 . 11 1 1 A 2 2 ALA HA H 2 4.510 4.662 -0.152 1
1 10 . 11 1 1 A 2 2 ALA CA C 2 51.900 50.680 1.220 1
1 11 . 11 1 1 A 2 2 ALA CB C 2 19.500 19.213 0.287 1
1 12 . 11 1 1 A 2 2 ALA N N 2 124.100 124.134 -0.034 1
1 13 . 11 1 1 A 3 3 GLU H H 3 8.740 8.622 0.118 1
1 14 . 11 1 1 A 3 3 GLU HA H 3 4.380 4.217 0.163 1
1 19 . 11 1 1 A 3 3 GLU CA C 3 56.000 58.847 -2.847 1
1 20 . 11 1 1 A 3 3 GLU CB C 3 29.900 29.350 0.550 1
1 22 . 11 1 1 A 3 3 GLU N N 3 120.700 120.920 -0.220 1
1 23 . 11 1 1 A 4 4 LYS H H 4 8.580 8.936 -0.356 1
1 24 . 11 1 1 A 4 4 LYS HA H 4 4.280 4.293 -0.013 1
1 33 . 11 1 1 A 4 4 LYS CA C 4 56.600 58.292 -1.692 1
1 34 . 11 1 1 A 4 4 LYS CB C 4 32.600 33.240 -0.640 1
1 38 . 11 1 1 A 4 4 LYS N N 4 122.500 116.835 5.665 1
1 39 . 11 1 1 A 5 5 ASN H H 5 8.560 7.831 0.729 1
1 40 . 11 1 1 A 5 5 ASN HA H 5 4.700 5.036 -0.336 1
1 45 . 11 1 1 A 5 5 ASN CA C 5 53.200 52.276 0.924 1
1 46 . 11 1 1 A 5 5 ASN CB C 5 38.900 41.983 -3.083 1
1 47 . 11 1 1 A 5 5 ASN N N 5 119.500 117.045 2.455 1
1 49 . 11 1 1 A 6 6 ALA H H 6 8.210 8.606 -0.396 1
1 50 . 11 1 1 A 6 6 ALA HA H 6 4.520 4.442 0.078 1
1 54 . 11 1 1 A 6 6 ALA CA C 6 51.800 51.801 -0.001 1
1 55 . 11 1 1 A 6 6 ALA CB C 6 19.600 19.891 -0.291 1
1 56 . 11 1 1 A 6 6 ALA N N 6 124.100 123.071 1.029 1
1 57 . 11 1 1 A 7 7 TYR H H 7 8.740 8.423 0.317 1
1 58 . 11 1 1 A 7 7 TYR HA H 7 4.700 4.898 -0.198 1
1 65 . 11 1 1 A 7 7 TYR CA C 7 58.900 57.073 1.827 1
1 66 . 11 1 1 A 7 7 TYR CB C 7 40.300 40.427 -0.127 1
1 69 . 11 1 1 A 7 7 TYR N N 7 121.400 117.307 4.093 1
1 70 . 11 1 1 A 8 8 THR H H 8 8.170 8.880 -0.710 1
1 71 . 11 1 1 A 8 8 THR HA H 8 5.220 4.853 0.367 1
1 76 . 11 1 1 A 8 8 THR CA C 8 59.800 60.249 -0.449 1
1 77 . 11 1 1 A 8 8 THR CB C 8 71.600 72.024 -0.424 1
1 79 . 11 1 1 A 8 8 THR N N 8 113.700 113.113 0.587 1
1 80 . 11 1 1 A 9 9 VAL H H 9 8.990 8.887 0.103 1
1 81 . 11 1 1 A 9 9 VAL HA H 9 3.370 3.930 -0.560 1
1 89 . 11 1 1 A 9 9 VAL CA C 9 66.700 64.696 2.004 1
1 90 . 11 1 1 A 9 9 VAL CB C 9 30.200 31.573 -1.373 1
1 93 . 11 1 1 A 9 9 VAL N N 9 121.400 118.360 3.040 1
1 94 . 11 1 1 A 10 10 ALA H H 10 9.340 8.112 1.228 1
1 95 . 11 1 1 A 10 10 ALA HA H 10 3.720 4.010 -0.290 1
1 99 . 11 1 1 A 10 10 ALA CA C 10 55.800 55.689 0.111 1
1 100 . 11 1 1 A 10 10 ALA CB C 10 18.200 18.235 -0.035 1
1 101 . 11 1 1 A 10 10 ALA N N 10 122.000 124.254 -2.254 1
1 102 . 11 1 1 A 11 11 GLN H H 11 7.330 7.564 -0.234 1
1 103 . 11 1 1 A 11 11 GLN HA H 11 4.050 4.180 -0.130 1
1 110 . 11 1 1 A 11 11 GLN CA C 11 58.400 58.553 -0.153 1
1 111 . 11 1 1 A 11 11 GLN CB C 11 28.700 28.607 0.093 1
1 113 . 11 1 1 A 11 11 GLN N N 11 115.300 117.935 -2.635 1
1 115 . 11 1 1 A 12 12 LEU H H 12 8.510 8.380 0.130 1
1 116 . 11 1 1 A 12 12 LEU HA H 12 4.200 4.457 -0.257 1
1 126 . 11 1 1 A 12 12 LEU CA C 12 57.600 58.093 -0.493 1
1 127 . 11 1 1 A 12 12 LEU CB C 12 41.700 41.646 0.054 1
1 131 . 11 1 1 A 12 12 LEU N N 12 121.500 122.807 -1.307 1
1 132 . 11 1 1 A 13 13 ALA H H 13 9.160 8.939 0.221 1
1 133 . 11 1 1 A 13 13 ALA HA H 13 3.990 4.131 -0.141 1
1 137 . 11 1 1 A 13 13 ALA CA C 13 55.400 55.054 0.346 1
1 138 . 11 1 1 A 13 13 ALA CB C 13 17.700 18.063 -0.363 1
1 139 . 11 1 1 A 13 13 ALA N N 13 121.000 120.391 0.609 1
1 140 . 11 1 1 A 14 14 ASP H H 14 7.920 7.885 0.035 1
1 141 . 11 1 1 A 14 14 ASP HA H 14 4.480 4.332 0.148 1
1 144 . 11 1 1 A 14 14 ASP CA C 14 57.200 57.809 -0.609 1
1 145 . 11 1 1 A 14 14 ASP CB C 14 39.500 41.153 -1.653 1
1 146 . 11 1 1 A 14 14 ASP N N 14 117.400 118.884 -1.484 1
1 147 . 11 1 1 A 15 15 GLU H H 15 8.210 8.058 0.152 1
1 148 . 11 1 1 A 15 15 GLU HA H 15 4.110 4.095 0.015 1
1 153 . 11 1 1 A 15 15 GLU CA C 15 59.800 59.383 0.417 1
1 154 . 11 1 1 A 15 15 GLU CB C 15 30.100 29.362 0.738 1
1 156 . 11 1 1 A 15 15 GLU N N 15 122.500 119.643 2.857 1
1 157 . 11 1 1 A 16 16 TYR H H 16 9.230 8.545 0.685 1
1 158 . 11 1 1 A 16 16 TYR HA H 16 3.180 3.828 -0.648 1
1 165 . 11 1 1 A 16 16 TYR CA C 16 61.100 61.289 -0.189 1
1 166 . 11 1 1 A 16 16 TYR CB C 16 38.300 38.293 0.007 1
1 169 . 11 1 1 A 16 16 TYR N N 16 119.400 120.682 -1.282 1
1 170 . 11 1 1 A 17 17 PHE H H 17 8.700 8.429 0.271 1
1 171 . 11 1 1 A 17 17 PHE HA H 17 3.480 3.994 -0.514 1
1 178 . 11 1 1 A 17 17 PHE CA C 17 61.600 61.224 0.376 1
1 179 . 11 1 1 A 17 17 PHE CB C 17 39.300 39.126 0.174 1
1 182 . 11 1 1 A 17 17 PHE N N 17 118.400 121.034 -2.634 1
1 183 . 11 1 1 A 18 18 GLU H H 18 8.280 8.401 -0.121 1
1 184 . 11 1 1 A 18 18 GLU HA H 18 3.840 3.925 -0.085 1
1 189 . 11 1 1 A 18 18 GLU CA C 18 58.800 58.657 0.143 1
1 190 . 11 1 1 A 18 18 GLU CB C 18 29.000 27.909 1.091 1
1 192 . 11 1 1 A 18 18 GLU N N 18 118.500 117.538 0.962 1
1 193 . 11 1 1 A 19 19 ARG H H 19 8.350 7.313 1.037 1
1 194 . 11 1 1 A 19 19 ARG HA H 19 4.200 3.968 0.232 1
1 202 . 11 1 1 A 19 19 ARG CA C 19 57.300 58.645 -1.345 1
1 203 . 11 1 1 A 19 19 ARG CB C 19 30.900 30.506 0.394 1
1 206 . 11 1 1 A 19 19 ARG N N 19 114.300 119.085 -4.785 1
1 208 . 11 1 1 A 20 20 MET H H 20 7.960 7.647 0.313 1
1 209 . 11 1 1 A 20 20 MET HA H 20 4.610 4.173 0.437 1
1 217 . 11 1 1 A 20 20 MET CA C 20 54.100 56.948 -2.848 1
1 218 . 11 1 1 A 20 20 MET CB C 20 31.800 32.427 -0.627 1
1 221 . 11 1 1 A 20 20 MET N N 20 112.400 117.902 -5.502 1
1 222 . 11 1 1 A 21 21 ILE H H 21 6.970 7.362 -0.392 1
1 223 . 11 1 1 A 21 21 ILE HA H 21 4.050 3.852 0.198 1
1 233 . 11 1 1 A 21 21 ILE CA C 21 59.800 60.213 -0.413 1
1 234 . 11 1 1 A 21 21 ILE CB C 21 35.900 36.345 -0.445 1
1 238 . 11 1 1 A 21 21 ILE N N 21 117.900 117.210 0.690 1
1 239 . 11 1 1 A 22 22 ALA H H 22 7.700 7.683 0.017 1
1 240 . 11 1 1 A 22 22 ALA HA H 22 3.600 3.938 -0.338 1
1 244 . 11 1 1 A 22 22 ALA CA C 22 53.900 51.493 2.407 1
1 245 . 11 1 1 A 22 22 ALA CB C 22 18.000 19.936 -1.936 1
1 246 . 11 1 1 A 22 22 ALA N N 22 123.500 124.650 -1.150 1
1 247 . 11 1 1 A 23 23 GLY H H 23 8.460 7.614 0.846 1
1 248 . 11 1 1 A 23 23 GLY HA2 H 23 3.960 3.817 0.143 1
1 249 . 11 1 1 A 23 23 GLY HA3 H 23 3.820 3.850 -0.030 1
1 250 . 11 1 1 A 23 23 GLY CA C 23 45.600 46.986 -1.386 1
1 251 . 11 1 1 A 23 23 GLY N N 23 109.600 106.793 2.807 1
1 252 . 11 1 1 A 24 24 ARG H H 24 7.830 7.759 0.071 1
1 253 . 11 1 1 A 24 24 ARG HA H 24 4.440 4.847 -0.407 1
1 261 . 11 1 1 A 24 24 ARG CA C 24 56.700 54.901 1.799 1
1 262 . 11 1 1 A 24 24 ARG CB C 24 32.400 33.404 -1.004 1
1 265 . 11 1 1 A 24 24 ARG N N 24 118.400 113.482 4.918 1
1 267 . 11 1 1 A 25 25 TRP H H 25 8.240 8.329 -0.089 1
1 268 . 11 1 1 A 25 25 TRP HA H 25 4.640 4.710 -0.070 1
1 277 . 11 1 1 A 25 25 TRP CA C 25 56.900 56.558 0.342 1
1 278 . 11 1 1 A 25 25 TRP CB C 25 31.400 31.227 0.173 1
1 284 . 11 1 1 A 25 25 TRP N N 25 121.500 120.245 1.255 1
1 286 . 11 1 1 A 26 26 LYS H H 26 7.890 6.751 1.139 1
1 287 . 11 1 1 A 26 26 LYS HA H 26 3.910 3.467 0.443 1
1 296 . 11 1 1 A 26 26 LYS CA C 26 56.800 56.974 -0.174 1
1 297 . 11 1 1 A 26 26 LYS CB C 26 32.200 29.173 3.027 1
1 301 . 11 1 1 A 26 26 LYS N N 26 122.500 114.869 7.631 1
1 302 . 11 1 1 A 27 27 HIS H H 27 7.840 7.062 0.778 1
1 303 . 11 1 1 A 27 27 HIS HA H 27 5.230 4.937 0.293 1
1 307 . 11 1 1 A 27 27 HIS CA C 27 53.200 52.916 0.284 1
1 308 . 11 1 1 A 27 27 HIS CB C 27 28.200 29.589 -1.389 1
1 310 . 11 1 1 A 27 27 HIS N N 27 112.700 112.163 0.537 1
1 311 . 11 1 1 A 28 28 PRO HA H 28 4.120 4.649 -0.529 1
1 318 . 11 1 1 A 28 28 PRO CA C 28 65.400 66.265 -0.865 1
1 319 . 11 1 1 A 28 28 PRO CB C 28 32.200 31.982 0.218 1
1 322 . 11 1 1 A 29 29 ASN H H 29 8.840 8.106 0.734 1
1 323 . 11 1 1 A 29 29 ASN HA H 29 4.470 4.629 -0.159 1
1 328 . 11 1 1 A 29 29 ASN CA C 29 56.100 55.921 0.179 1
1 329 . 11 1 1 A 29 29 ASN CB C 29 37.000 38.351 -1.351 1
1 330 . 11 1 1 A 29 29 ASN N N 29 116.300 115.103 1.197 1
1 332 . 11 1 1 A 30 30 ILE H H 30 7.630 8.022 -0.392 1
1 333 . 11 1 1 A 30 30 ILE HA H 30 3.910 3.715 0.195 1
1 343 . 11 1 1 A 30 30 ILE CA C 30 63.700 65.244 -1.544 1
1 344 . 11 1 1 A 30 30 ILE CB C 30 37.300 37.968 -0.668 1
1 348 . 11 1 1 A 30 30 ILE N N 30 121.500 119.887 1.613 1
1 349 . 11 1 1 A 31 31 VAL H H 31 6.920 8.277 -1.357 1
1 350 . 11 1 1 A 31 31 VAL HA H 31 3.020 3.843 -0.823 1
1 358 . 11 1 1 A 31 31 VAL CA C 31 65.500 65.017 0.483 1
1 359 . 11 1 1 A 31 31 VAL CB C 31 30.900 31.628 -0.728 1
1 362 . 11 1 1 A 31 31 VAL N N 31 119.900 121.452 -1.552 1
1 363 . 11 1 1 A 32 32 ARG H H 32 8.080 7.884 0.196 1
1 364 . 11 1 1 A 32 32 ARG HA H 32 3.380 4.123 -0.743 1
1 371 . 11 1 1 A 32 32 ARG CA C 32 58.900 59.865 -0.965 1
1 372 . 11 1 1 A 32 32 ARG CB C 32 28.800 30.083 -1.283 1
1 375 . 11 1 1 A 32 32 ARG N N 32 118.900 122.627 -3.727 1
1 376 . 11 1 1 A 33 33 SER H H 33 7.840 8.632 -0.792 1
1 377 . 11 1 1 A 33 33 SER HA H 33 4.130 4.066 0.064 1
1 380 . 11 1 1 A 33 33 SER CA C 33 61.900 62.256 -0.356 1
1 381 . 11 1 1 A 33 33 SER CB C 33 62.700 62.809 -0.109 1
1 382 . 11 1 1 A 33 33 SER N N 33 113.400 117.540 -4.140 1
1 383 . 11 1 1 A 34 34 ARG H H 34 7.610 7.312 0.298 1
1 384 . 11 1 1 A 34 34 ARG HA H 34 4.370 4.159 0.211 1
1 392 . 11 1 1 A 34 34 ARG CA C 34 58.100 58.483 -0.383 1
1 393 . 11 1 1 A 34 34 ARG CB C 34 29.600 29.803 -0.203 1
1 396 . 11 1 1 A 34 34 ARG N N 34 119.900 120.771 -0.871 1
1 398 . 11 1 1 A 35 35 ILE H H 35 8.070 8.304 -0.234 1
1 399 . 11 1 1 A 35 35 ILE HA H 35 3.470 3.652 -0.182 1
1 409 . 11 1 1 A 35 35 ILE CA C 35 65.800 65.469 0.331 1
1 410 . 11 1 1 A 35 35 ILE CB C 35 38.200 37.859 0.341 1
1 414 . 11 1 1 A 35 35 ILE N N 35 118.600 119.979 -1.379 1
1 415 . 11 1 1 A 36 36 GLU H H 36 8.710 8.485 0.225 1
1 416 . 11 1 1 A 36 36 GLU HA H 36 3.880 4.241 -0.361 1
1 421 . 11 1 1 A 36 36 GLU CA C 36 58.400 58.514 -0.114 1
1 422 . 11 1 1 A 36 36 GLU CB C 36 30.000 29.194 0.806 1
1 424 . 11 1 1 A 36 36 GLU N N 36 116.800 117.814 -1.014 1
1 425 . 11 1 1 A 37 37 LYS H H 37 8.550 7.830 0.720 1
1 426 . 11 1 1 A 37 37 LYS HA H 37 4.300 4.397 -0.097 1
1 435 . 11 1 1 A 37 37 LYS CA C 37 57.300 57.902 -0.602 1
1 436 . 11 1 1 A 37 37 LYS CB C 37 33.000 33.594 -0.594 1
1 440 . 11 1 1 A 37 37 LYS N N 37 114.300 120.400 -6.100 1
1 441 . 11 1 1 A 38 38 ASP H H 38 7.480 8.887 -1.407 1
1 442 . 11 1 1 A 38 38 ASP HA H 38 4.970 4.466 0.504 1
1 445 . 11 1 1 A 38 38 ASP CA C 38 55.300 56.772 -1.472 1
1 446 . 11 1 1 A 38 38 ASP CB C 38 42.700 40.909 1.791 1
1 447 . 11 1 1 A 38 38 ASP N N 38 113.900 120.169 -6.269 1
1 448 . 11 1 1 A 39 39 ILE H H 39 7.540 7.505 0.035 1
1 449 . 11 1 1 A 39 39 ILE HA H 39 3.940 4.034 -0.094 1
1 459 . 11 1 1 A 39 39 ILE CA C 39 64.700 63.361 1.339 1
1 460 . 11 1 1 A 39 39 ILE CB C 39 39.000 38.819 0.181 1
1 464 . 11 1 1 A 39 39 ILE N N 39 116.800 117.913 -1.113 1
1 465 . 11 1 1 A 40 40 LYS H H 40 8.840 7.260 1.580 1
1 466 . 11 1 1 A 40 40 LYS HA H 40 3.650 4.739 -1.089 1
1 475 . 11 1 1 A 40 40 LYS CA C 40 50.600 53.958 -3.358 1
1 476 . 11 1 1 A 40 40 LYS CB C 40 30.400 33.073 -2.673 1
1 480 . 11 1 1 A 40 40 LYS N N 40 118.400 121.247 -2.847 1
1 481 . 11 1 1 A 41 41 PRO HA H 41 4.280 4.413 -0.133 1
1 488 . 11 1 1 A 41 41 PRO CA C 41 65.700 65.251 0.449 1
1 489 . 11 1 1 A 41 41 PRO CB C 41 30.700 31.888 -1.188 1
1 492 . 11 1 1 A 42 42 ALA H H 42 6.660 7.848 -1.188 1
1 493 . 11 1 1 A 42 42 ALA HA H 42 4.430 4.513 -0.083 1
1 497 . 11 1 1 A 42 42 ALA CA C 42 53.800 51.715 2.085 1
1 498 . 11 1 1 A 42 42 ALA CB C 42 20.800 20.115 0.685 1
1 499 . 11 1 1 A 42 42 ALA N N 42 115.300 118.126 -2.826 1
1 500 . 11 1 1 A 43 43 ILE H H 43 7.540 7.854 -0.314 1
1 501 . 11 1 1 A 43 43 ILE HA H 43 4.810 4.540 0.270 1
1 511 . 11 1 1 A 43 43 ILE CA C 43 60.600 60.001 0.599 1
1 512 . 11 1 1 A 43 43 ILE CB C 43 41.200 37.769 3.431 1
1 516 . 11 1 1 A 43 43 ILE N N 43 105.000 114.441 -9.441 1
1 517 . 11 1 1 A 44 44 GLY H H 44 8.500 8.397 0.103 1
1 518 . 11 1 1 A 44 44 GLY HA2 H 44 4.170 3.931 0.239 1
1 519 . 11 1 1 A 44 44 GLY HA3 H 44 3.430 3.942 -0.512 1
1 520 . 11 1 1 A 44 44 GLY CA C 44 47.300 47.474 -0.174 1
1 521 . 11 1 1 A 44 44 GLY N N 44 109.600 112.373 -2.773 1
1 522 . 11 1 1 A 45 45 SER H H 45 8.120 8.057 0.063 1
1 523 . 11 1 1 A 45 45 SER HA H 45 4.440 4.775 -0.335 1
1 526 . 11 1 1 A 45 45 SER CA C 45 58.600 58.216 0.384 1
1 527 . 11 1 1 A 45 45 SER CB C 45 63.400 63.106 0.294 1
1 528 . 11 1 1 A 45 45 SER N N 45 110.400 115.510 -5.110 1
1 529 . 11 1 1 A 46 46 LEU H H 46 7.480 7.552 -0.072 1
1 530 . 11 1 1 A 46 46 LEU HA H 46 4.180 4.558 -0.378 1
1 540 . 11 1 1 A 46 46 LEU CA C 46 54.800 54.088 0.712 1
1 541 . 11 1 1 A 46 46 LEU CB C 46 41.700 42.322 -0.622 1
1 545 . 11 1 1 A 46 46 LEU N N 46 122.600 122.614 -0.014 1
1 546 . 11 1 1 A 47 47 LYS H H 47 8.790 7.921 0.869 1
1 547 . 11 1 1 A 47 47 LYS HA H 47 4.460 4.245 0.215 1
1 556 . 11 1 1 A 47 47 LYS CA C 47 56.700 58.364 -1.664 1
1 557 . 11 1 1 A 47 47 LYS CB C 47 31.100 31.311 -0.211 1
1 561 . 11 1 1 A 47 47 LYS N N 47 120.800 117.333 3.467 1
1 562 . 11 1 1 A 48 48 VAL H H 48 8.600 8.166 0.434 1
1 563 . 11 1 1 A 48 48 VAL HA H 48 3.470 3.864 -0.394 1
1 571 . 11 1 1 A 48 48 VAL CA C 48 66.900 66.426 0.474 1
1 572 . 11 1 1 A 48 48 VAL CB C 48 31.000 31.286 -0.286 1
1 575 . 11 1 1 A 48 48 VAL N N 48 123.000 121.303 1.697 1
1 576 . 11 1 1 A 49 49 GLU H H 49 9.360 8.234 1.126 1
1 577 . 11 1 1 A 49 49 GLU HA H 49 4.180 4.170 0.010 1
1 582 . 11 1 1 A 49 49 GLU CA C 49 57.600 58.174 -0.574 1
1 583 . 11 1 1 A 49 49 GLU CB C 49 28.500 30.041 -1.541 1
1 585 . 11 1 1 A 49 49 GLU N N 49 115.300 119.696 -4.396 1
1 586 . 11 1 1 A 50 50 ASP H H 50 7.840 7.779 0.061 1
1 587 . 11 1 1 A 50 50 ASP HA H 50 4.840 4.711 0.129 1
1 590 . 11 1 1 A 50 50 ASP CA C 50 53.800 53.835 -0.035 1
1 591 . 11 1 1 A 50 50 ASP CB C 50 41.400 41.618 -0.218 1
1 592 . 11 1 1 A 50 50 ASP N N 50 118.900 118.435 0.465 1
1 593 . 11 1 1 A 51 51 VAL H H 51 7.150 7.472 -0.322 1
1 594 . 11 1 1 A 51 51 VAL HA H 51 3.950 4.500 -0.550 1
1 602 . 11 1 1 A 51 51 VAL CA C 51 63.700 61.531 2.169 1
1 603 . 11 1 1 A 51 51 VAL CB C 51 30.900 32.803 -1.903 1
1 606 . 11 1 1 A 51 51 VAL N N 51 119.900 121.201 -1.301 1
1 607 . 11 1 1 A 52 52 LYS H H 52 11.840 8.419 3.421 1
1 608 . 11 1 1 A 52 52 LYS HA H 52 4.980 4.765 0.215 1
1 617 . 11 1 1 A 52 52 LYS CA C 52 52.800 53.983 -1.183 1
1 618 . 11 1 1 A 52 52 LYS CB C 52 33.100 33.250 -0.150 1
1 622 . 11 1 1 A 52 52 LYS N N 52 133.900 127.036 6.864 1
1 623 . 11 1 1 A 53 53 PRO HA H 53 4.370 4.464 -0.094 1
1 630 . 11 1 1 A 53 53 PRO CA C 53 66.600 64.753 1.847 1
1 631 . 11 1 1 A 53 53 PRO CB C 53 31.600 32.062 -0.462 1
1 634 . 11 1 1 A 54 54 ARG H H 54 8.180 8.206 -0.026 1
1 635 . 11 1 1 A 54 54 ARG HA H 54 4.200 4.114 0.086 1
1 643 . 11 1 1 A 54 54 ARG CA C 54 58.300 59.206 -0.906 1
1 644 . 11 1 1 A 54 54 ARG CB C 54 28.700 29.941 -1.241 1
1 647 . 11 1 1 A 54 54 ARG N N 54 113.800 118.709 -4.909 1
1 649 . 11 1 1 A 55 55 HIS H H 55 7.650 7.343 0.307 1
1 650 . 11 1 1 A 55 55 HIS HA H 55 4.430 4.451 -0.021 1
1 655 . 11 1 1 A 55 55 HIS CA C 55 60.500 60.127 0.373 1
1 656 . 11 1 1 A 55 55 HIS CB C 55 31.400 30.427 0.973 1
1 659 . 11 1 1 A 55 55 HIS N N 55 118.400 117.428 0.972 1
1 660 . 11 1 1 A 56 56 ILE H H 56 7.280 7.758 -0.478 1
1 661 . 11 1 1 A 56 56 ILE HA H 56 3.480 3.662 -0.182 1
1 671 . 11 1 1 A 56 56 ILE CA C 56 61.900 65.761 -3.861 1
1 672 . 11 1 1 A 56 56 ILE CB C 56 33.900 37.988 -4.088 1
1 676 . 11 1 1 A 56 56 ILE N N 56 117.400 120.578 -3.178 1
1 677 . 11 1 1 A 57 57 ASP H H 57 8.010 8.282 -0.272 1
1 678 . 11 1 1 A 57 57 ASP HA H 57 4.220 4.074 0.146 1
1 681 . 11 1 1 A 57 57 ASP CA C 57 57.200 57.670 -0.470 1
1 682 . 11 1 1 A 57 57 ASP CB C 57 40.900 40.937 -0.037 1
1 683 . 11 1 1 A 57 57 ASP N N 57 119.400 121.680 -2.280 1
1 684 . 11 1 1 A 58 58 ASP H H 58 8.000 7.761 0.239 1
1 685 . 11 1 1 A 58 58 ASP HA H 58 4.380 4.308 0.072 1
1 688 . 11 1 1 A 58 58 ASP CA C 58 57.600 57.352 0.248 1
1 689 . 11 1 1 A 58 58 ASP CB C 58 39.200 41.069 -1.869 1
1 690 . 11 1 1 A 58 58 ASP N N 58 117.400 119.153 -1.753 1
1 691 . 11 1 1 A 59 59 VAL H H 59 7.800 7.998 -0.198 1
1 692 . 11 1 1 A 59 59 VAL HA H 59 3.620 3.771 -0.151 1
1 700 . 11 1 1 A 59 59 VAL CA C 59 66.200 65.633 0.567 1
1 701 . 11 1 1 A 59 59 VAL CB C 59 31.400 31.309 0.091 1
1 704 . 11 1 1 A 59 59 VAL N N 59 121.200 118.733 2.467 1
1 705 . 11 1 1 A 60 60 LEU H H 60 8.030 7.968 0.062 1
1 706 . 11 1 1 A 60 60 LEU HA H 60 3.870 3.931 -0.061 1
1 716 . 11 1 1 A 60 60 LEU CA C 60 58.000 57.875 0.125 1
1 717 . 11 1 1 A 60 60 LEU CB C 60 40.300 40.942 -0.642 1
1 721 . 11 1 1 A 60 60 LEU N N 60 118.900 121.098 -2.198 1
1 722 . 11 1 1 A 61 61 LYS H H 61 8.710 8.181 0.529 1
1 723 . 11 1 1 A 61 61 LYS HA H 61 3.920 3.934 -0.014 1
1 732 . 11 1 1 A 61 61 LYS CA C 61 59.600 58.811 0.789 1
1 733 . 11 1 1 A 61 61 LYS CB C 61 32.500 32.182 0.318 1
1 737 . 11 1 1 A 61 61 LYS N N 61 118.300 121.171 -2.871 1
1 738 . 11 1 1 A 62 62 ALA H H 62 7.590 7.672 -0.082 1
1 739 . 11 1 1 A 62 62 ALA HA H 62 4.170 4.048 0.122 1
1 743 . 11 1 1 A 62 62 ALA CA C 62 55.100 55.026 0.074 1
1 744 . 11 1 1 A 62 62 ALA CB C 62 17.900 18.195 -0.295 1
1 745 . 11 1 1 A 62 62 ALA N N 62 121.000 121.832 -0.832 1
1 746 . 11 1 1 A 63 63 VAL H H 63 8.090 8.196 -0.106 1
1 747 . 11 1 1 A 63 63 VAL HA H 63 3.710 3.843 -0.133 1
1 755 . 11 1 1 A 63 63 VAL CA C 63 65.700 65.137 0.563 1
1 756 . 11 1 1 A 63 63 VAL CB C 63 31.700 31.322 0.378 1
1 759 . 11 1 1 A 63 63 VAL N N 63 118.000 116.291 1.709 1
1 760 . 11 1 1 A 64 64 MET H H 64 8.360 7.966 0.394 1
1 761 . 11 1 1 A 64 64 MET HA H 64 4.110 4.215 -0.105 1
1 769 . 11 1 1 A 64 64 MET CA C 64 57.600 57.766 -0.166 1
1 770 . 11 1 1 A 64 64 MET CB C 64 31.700 32.278 -0.578 1
1 773 . 11 1 1 A 64 64 MET N N 64 119.400 118.579 0.821 1
1 774 . 11 1 1 A 65 65 LYS H H 65 7.660 7.734 -0.074 1
1 775 . 11 1 1 A 65 65 LYS HA H 65 4.170 4.154 0.016 1
1 784 . 11 1 1 A 65 65 LYS CA C 65 58.100 58.590 -0.490 1
1 785 . 11 1 1 A 65 65 LYS CB C 65 32.500 32.812 -0.312 1
1 789 . 11 1 1 A 65 65 LYS N N 65 118.900 119.211 -0.311 1
1 790 . 11 1 1 A 66 66 ARG H H 66 7.600 8.681 -1.081 1
1 791 . 11 1 1 A 66 66 ARG HA H 66 4.430 4.170 0.260 1
1 799 . 11 1 1 A 66 66 ARG CA C 66 56.600 57.616 -1.016 1
1 800 . 11 1 1 A 66 66 ARG CB C 66 30.400 30.340 0.060 1
1 803 . 11 1 1 A 66 66 ARG N N 66 115.800 118.592 -2.792 1
1 805 . 11 1 1 A 67 67 GLY H H 67 7.830 7.750 0.080 1
1 806 . 11 1 1 A 67 67 GLY HA2 H 67 4.010 4.039 -0.029 1
1 807 . 11 1 1 A 67 67 GLY HA3 H 67 3.980 4.041 -0.061 1
1 808 . 11 1 1 A 67 67 GLY CA C 67 45.700 45.655 0.045 1
1 809 . 11 1 1 A 67 67 GLY N N 67 107.400 108.823 -1.423 1
1 810 . 11 1 1 A 68 68 ALA H H 68 7.730 8.509 -0.779 1
1 811 . 11 1 1 A 68 68 ALA HA H 68 4.980 4.805 0.175 1
1 815 . 11 1 1 A 68 68 ALA CA C 68 49.700 49.686 0.014 1
1 816 . 11 1 1 A 68 68 ALA CB C 68 18.900 22.036 -3.136 1
1 817 . 11 1 1 A 68 68 ALA N N 68 122.500 124.909 -2.409 1
1 818 . 11 1 1 A 69 69 PRO HA H 69 4.350 4.297 0.053 1
1 825 . 11 1 1 A 69 69 PRO CA C 69 65.400 64.625 0.775 1
1 826 . 11 1 1 A 69 69 PRO CB C 69 31.700 32.085 -0.385 1
1 829 . 11 1 1 A 70 70 SER H H 70 8.430 8.175 0.255 1
1 830 . 11 1 1 A 70 70 SER HA H 70 4.250 4.372 -0.122 1
1 833 . 11 1 1 A 70 70 SER CA C 70 61.000 60.171 0.829 1
1 834 . 11 1 1 A 70 70 SER CB C 70 61.500 63.277 -1.777 1
1 835 . 11 1 1 A 70 70 SER N N 70 112.200 111.941 0.259 1
1 836 . 11 1 1 A 71 71 ILE H H 71 7.430 7.873 -0.443 1
1 837 . 11 1 1 A 71 71 ILE HA H 71 3.980 3.802 0.178 1
1 847 . 11 1 1 A 71 71 ILE CA C 71 63.100 64.585 -1.485 1
1 848 . 11 1 1 A 71 71 ILE CB C 71 36.700 36.836 -0.136 1
1 852 . 11 1 1 A 71 71 ILE N N 71 122.000 121.709 0.291 1
1 853 . 11 1 1 A 72 72 ALA H H 72 7.780 8.306 -0.526 1
1 854 . 11 1 1 A 72 72 ALA HA H 72 3.910 3.961 -0.051 1
1 858 . 11 1 1 A 72 72 ALA CA C 72 55.800 55.974 -0.174 1
1 859 . 11 1 1 A 72 72 ALA CB C 72 17.900 18.175 -0.275 1
1 860 . 11 1 1 A 72 72 ALA N N 72 126.100 122.340 3.760 1
1 861 . 11 1 1 A 73 73 ASN H H 73 8.180 8.258 -0.078 1
1 862 . 11 1 1 A 73 73 ASN HA H 73 4.410 4.472 -0.062 1
1 867 . 11 1 1 A 73 73 ASN CA C 73 55.900 55.697 0.203 1
1 868 . 11 1 1 A 73 73 ASN CB C 73 37.800 37.330 0.470 1
1 869 . 11 1 1 A 73 73 ASN N N 73 116.700 116.132 0.568 1
1 871 . 11 1 1 A 74 74 ASP H H 74 8.120 7.665 0.455 1
1 872 . 11 1 1 A 74 74 ASP HA H 74 4.410 4.470 -0.060 1
1 875 . 11 1 1 A 74 74 ASP CA C 74 57.500 57.388 0.112 1
1 876 . 11 1 1 A 74 74 ASP CB C 74 41.400 41.403 -0.003 1
1 877 . 11 1 1 A 74 74 ASP N N 74 120.800 120.804 -0.004 1
1 878 . 11 1 1 A 75 75 THR H H 75 8.360 8.429 -0.069 1
1 879 . 11 1 1 A 75 75 THR HA H 75 3.750 4.116 -0.366 1
1 884 . 11 1 1 A 75 75 THR CA C 75 68.800 66.981 1.819 1
1 885 . 11 1 1 A 75 75 THR CB C 75 67.700 67.724 -0.024 1
1 887 . 11 1 1 A 75 75 THR N N 75 116.300 116.764 -0.464 1
1 888 . 11 1 1 A 76 76 LEU H H 76 8.160 8.265 -0.105 1
1 889 . 11 1 1 A 76 76 LEU HA H 76 3.980 4.087 -0.107 1
1 899 . 11 1 1 A 76 76 LEU CA C 76 58.000 58.449 -0.449 1
1 900 . 11 1 1 A 76 76 LEU CB C 76 40.500 41.617 -1.117 1
1 904 . 11 1 1 A 76 76 LEU N N 76 121.000 121.514 -0.514 1
1 905 . 11 1 1 A 77 77 ARG H H 77 7.810 8.171 -0.361 1
1 906 . 11 1 1 A 77 77 ARG HA H 77 3.790 4.034 -0.244 1
1 914 . 11 1 1 A 77 77 ARG CA C 77 60.000 59.823 0.177 1
1 915 . 11 1 1 A 77 77 ARG CB C 77 29.400 29.614 -0.214 1
1 918 . 11 1 1 A 77 77 ARG N N 77 118.400 118.798 -0.398 1
1 920 . 11 1 1 A 78 78 TRP H H 78 7.870 8.326 -0.456 1
1 921 . 11 1 1 A 78 78 TRP HA H 78 4.490 4.401 0.089 1
1 930 . 11 1 1 A 78 78 TRP CA C 78 60.200 61.101 -0.901 1
1 931 . 11 1 1 A 78 78 TRP CB C 78 28.700 29.725 -1.025 1
1 937 . 11 1 1 A 78 78 TRP N N 78 118.300 122.020 -3.720 1
1 939 . 11 1 1 A 79 79 LEU H H 79 8.630 9.127 -0.497 1
1 940 . 11 1 1 A 79 79 LEU HA H 79 3.940 3.722 0.218 1
1 950 . 11 1 1 A 79 79 LEU CA C 79 58.200 58.034 0.166 1
1 951 . 11 1 1 A 79 79 LEU CB C 79 42.300 41.401 0.899 1
1 955 . 11 1 1 A 79 79 LEU N N 79 120.200 119.526 0.674 1
1 956 . 11 1 1 A 80 80 LYS H H 80 8.710 8.246 0.464 1
1 957 . 11 1 1 A 80 80 LYS HA H 80 3.880 4.104 -0.224 1
1 966 . 11 1 1 A 80 80 LYS CA C 80 61.300 59.788 1.512 1
1 967 . 11 1 1 A 80 80 LYS CB C 80 32.300 32.353 -0.053 1
1 971 . 11 1 1 A 80 80 LYS N N 80 118.400 120.242 -1.842 1
1 972 . 11 1 1 A 81 81 ARG H H 81 7.800 7.617 0.183 1
1 973 . 11 1 1 A 81 81 ARG HA H 81 4.030 4.076 -0.046 1
1 981 . 11 1 1 A 81 81 ARG CA C 81 59.700 59.643 0.057 1
1 982 . 11 1 1 A 81 81 ARG CB C 81 30.400 29.993 0.407 1
1 985 . 11 1 1 A 81 81 ARG N N 81 117.400 118.605 -1.205 1
1 987 . 11 1 1 A 82 82 MET H H 82 8.530 7.498 1.032 1
1 988 . 11 1 1 A 82 82 MET HA H 82 3.000 3.574 -0.574 1
1 996 . 11 1 1 A 82 82 MET CA C 82 58.900 58.243 0.657 1
1 997 . 11 1 1 A 82 82 MET CB C 82 32.300 31.097 1.203 1
1 1000 . 11 1 1 A 82 82 MET N N 82 121.400 118.570 2.830 1
1 1001 . 11 1 1 A 83 83 PHE H H 83 8.340 8.255 0.085 1
1 1002 . 11 1 1 A 83 83 PHE HA H 83 4.340 4.282 0.058 1
1 1010 . 11 1 1 A 83 83 PHE CA C 83 61.900 61.566 0.334 1
1 1011 . 11 1 1 A 83 83 PHE CB C 83 38.800 38.465 0.335 1
1 1015 . 11 1 1 A 83 83 PHE N N 83 116.900 118.386 -1.486 1
1 1016 . 11 1 1 A 84 84 ASN H H 84 8.170 8.490 -0.320 1
1 1017 . 11 1 1 A 84 84 ASN HA H 84 4.670 4.506 0.164 1
1 1022 . 11 1 1 A 84 84 ASN CA C 84 55.800 56.354 -0.554 1
1 1023 . 11 1 1 A 84 84 ASN CB C 84 37.500 39.163 -1.663 1
1 1024 . 11 1 1 A 84 84 ASN N N 84 120.500 118.105 2.395 1
1 1026 . 11 1 1 A 85 85 TYR H H 85 7.910 8.227 -0.317 1
1 1027 . 11 1 1 A 85 85 TYR HA H 85 4.320 4.200 0.120 1
1 1034 . 11 1 1 A 85 85 TYR CA C 85 61.100 61.758 -0.658 1
1 1035 . 11 1 1 A 85 85 TYR CB C 85 37.900 38.651 -0.751 1
1 1038 . 11 1 1 A 85 85 TYR N N 85 124.000 120.710 3.290 1
1 1039 . 11 1 1 A 86 86 ALA H H 86 7.780 8.203 -0.423 1
1 1040 . 11 1 1 A 86 86 ALA HA H 86 3.670 4.067 -0.397 1
1 1044 . 11 1 1 A 86 86 ALA CA C 86 54.800 55.057 -0.257 1
1 1045 . 11 1 1 A 86 86 ALA CB C 86 18.100 18.214 -0.114 1
1 1046 . 11 1 1 A 86 86 ALA N N 86 120.500 121.461 -0.961 1
1 1047 . 11 1 1 A 87 87 ILE H H 87 7.880 7.536 0.344 1
1 1048 . 11 1 1 A 87 87 ILE HA H 87 4.240 4.175 0.065 1
1 1058 . 11 1 1 A 87 87 ILE CA C 87 63.900 65.335 -1.435 1
1 1059 . 11 1 1 A 87 87 ILE CB C 87 37.900 37.855 0.045 1
1 1063 . 11 1 1 A 87 87 ILE N N 87 120.400 119.247 1.153 1
1 1064 . 11 1 1 A 88 88 LYS H H 88 7.880 7.963 -0.083 1
1 1065 . 11 1 1 A 88 88 LYS HA H 88 3.900 3.943 -0.043 1
1 1074 . 11 1 1 A 88 88 LYS CA C 88 58.900 58.254 0.646 1
1 1075 . 11 1 1 A 88 88 LYS CB C 88 31.300 31.256 0.044 1
1 1079 . 11 1 1 A 88 88 LYS N N 88 124.300 120.857 3.443 1
1 1080 . 11 1 1 A 89 89 ARG H H 89 7.350 7.378 -0.028 1
1 1081 . 11 1 1 A 89 89 ARG HA H 89 4.020 4.036 -0.016 1
1 1088 . 11 1 1 A 89 89 ARG CA C 89 54.600 55.821 -1.221 1
1 1089 . 11 1 1 A 89 89 ARG CB C 89 29.100 30.485 -1.385 1
1 1092 . 11 1 1 A 89 89 ARG N N 89 114.300 117.905 -3.605 1
1 1093 . 11 1 1 A 90 90 HIS H H 90 8.030 8.083 -0.053 1
1 1094 . 11 1 1 A 90 90 HIS HA H 90 4.330 4.288 0.042 1
1 1098 . 11 1 1 A 90 90 HIS CA C 90 56.300 57.055 -0.755 1
1 1099 . 11 1 1 A 90 90 HIS CB C 90 25.200 26.260 -1.060 1
1 1101 . 11 1 1 A 90 90 HIS N N 90 113.200 113.642 -0.442 1
1 1102 . 11 1 1 A 91 91 ILE H H 91 8.370 7.910 0.460 1
1 1103 . 11 1 1 A 91 91 ILE HA H 91 3.830 3.806 0.024 1
1 1113 . 11 1 1 A 91 91 ILE CA C 91 63.600 64.033 -0.433 1
1 1114 . 11 1 1 A 91 91 ILE CB C 91 39.300 38.505 0.795 1
1 1118 . 11 1 1 A 91 91 ILE N N 91 118.400 118.972 -0.572 1
1 1119 . 11 1 1 A 92 92 ILE H H 92 6.860 7.168 -0.308 1
1 1120 . 11 1 1 A 92 92 ILE HA H 92 4.570 4.803 -0.233 1
1 1130 . 11 1 1 A 92 92 ILE CA C 92 58.800 58.283 0.517 1
1 1131 . 11 1 1 A 92 92 ILE CB C 92 42.700 41.334 1.366 1
1 1135 . 11 1 1 A 92 92 ILE N N 92 108.600 116.783 -8.183 1
1 1136 . 11 1 1 A 93 93 GLU H H 93 8.690 8.730 -0.040 1
1 1137 . 11 1 1 A 93 93 GLU HA H 93 4.470 4.466 0.004 1
1 1142 . 11 1 1 A 93 93 GLU CA C 93 56.400 55.978 0.422 1
1 1143 . 11 1 1 A 93 93 GLU CB C 93 31.200 30.190 1.010 1
1 1145 . 11 1 1 A 93 93 GLU N N 93 116.800 120.210 -3.410 1
1 1146 . 11 1 1 A 94 94 TYR H H 94 7.420 7.525 -0.105 1
1 1147 . 11 1 1 A 94 94 TYR HA H 94 4.710 5.188 -0.478 1
1 1154 . 11 1 1 A 94 94 TYR CA C 94 55.800 56.617 -0.817 1
1 1155 . 11 1 1 A 94 94 TYR CB C 94 40.600 42.621 -2.021 1
1 1158 . 11 1 1 A 94 94 TYR N N 94 117.900 119.374 -1.474 1
1 1159 . 11 1 1 A 95 95 ASN H H 95 8.960 8.872 0.088 1
1 1160 . 11 1 1 A 95 95 ASN HA H 95 4.550 5.198 -0.648 1
1 1165 . 11 1 1 A 95 95 ASN CA C 95 49.700 49.478 0.222 1
1 1166 . 11 1 1 A 95 95 ASN CB C 95 39.200 39.602 -0.402 1
1 1167 . 11 1 1 A 95 95 ASN N N 95 122.500 122.619 -0.119 1
1 1169 . 11 1 1 A 96 96 PRO HA H 96 4.300 4.226 0.074 1
1 1176 . 11 1 1 A 96 96 PRO CA C 96 64.000 64.647 -0.647 1
1 1177 . 11 1 1 A 96 96 PRO CB C 96 31.100 31.613 -0.513 1
1 1180 . 11 1 1 A 97 97 ALA H H 97 8.090 7.591 0.499 1
1 1181 . 11 1 1 A 97 97 ALA HA H 97 4.540 4.366 0.174 1
1 1185 . 11 1 1 A 97 97 ALA CA C 97 51.200 54.467 -3.267 1
1 1186 . 11 1 1 A 97 97 ALA CB C 97 18.900 18.512 0.388 1
1 1187 . 11 1 1 A 97 97 ALA N N 97 118.400 119.425 -1.025 1
1 1188 . 11 1 1 A 98 98 ALA H H 98 7.330 7.965 -0.635 1
1 1189 . 11 1 1 A 98 98 ALA HA H 98 3.990 4.217 -0.227 1
1 1193 . 11 1 1 A 98 98 ALA CA C 98 54.700 53.392 1.308 1
1 1194 . 11 1 1 A 98 98 ALA CB C 98 18.900 18.392 0.508 1
1 1195 . 11 1 1 A 98 98 ALA N N 98 120.500 119.469 1.031 1
1 1196 . 11 1 1 A 99 99 ALA H H 99 8.020 7.088 0.932 1
1 1197 . 11 1 1 A 99 99 ALA HA H 99 4.180 4.064 0.116 1
1 1201 . 11 1 1 A 99 99 ALA CA C 99 52.500 52.648 -0.148 1
1 1202 . 11 1 1 A 99 99 ALA CB C 99 18.200 18.806 -0.606 1
1 1203 . 11 1 1 A 99 99 ALA N N 99 117.400 119.200 -1.800 1
1 1204 . 11 1 1 A 100 100 PHE H H 100 7.320 7.074 0.246 1
1 1205 . 11 1 1 A 100 100 PHE HA H 100 4.360 5.166 -0.806 1
1 1210 . 11 1 1 A 100 100 PHE CA C 100 57.700 56.405 1.295 1
1 1211 . 11 1 1 A 100 100 PHE CB C 100 40.500 41.265 -0.765 1
1 1213 . 11 1 1 A 100 100 PHE N N 100 117.400 116.720 0.680 1
1 1214 . 11 1 1 A 101 101 ASP H H 101 8.520 8.953 -0.433 1
1 1215 . 11 1 1 A 101 101 ASP HA H 101 4.910 5.167 -0.257 1
1 1218 . 11 1 1 A 101 101 ASP CA C 101 51.400 50.542 0.858 1
1 1219 . 11 1 1 A 101 101 ASP CB C 101 41.400 42.274 -0.874 1
1 1220 . 11 1 1 A 101 101 ASP N N 101 122.600 125.260 -2.660 1
1 1221 . 11 1 1 A 102 102 PRO HA H 102 4.350 4.372 -0.022 1
1 1228 . 11 1 1 A 102 102 PRO CA C 102 63.400 63.844 -0.444 1
1 1229 . 11 1 1 A 102 102 PRO CB C 102 31.900 31.372 0.528 1
1 1232 . 11 1 1 A 103 103 GLY H H 103 8.440 8.800 -0.360 1
1 1233 . 11 1 1 A 103 103 GLY HA2 H 103 3.890 3.878 0.012 1
1 1234 . 11 1 1 A 103 103 GLY HA3 H 103 3.860 3.880 -0.020 1
1 1235 . 11 1 1 A 103 103 GLY CA C 103 45.100 47.191 -2.091 1
1 1236 . 11 1 1 A 103 103 GLY N N 103 108.300 112.397 -4.097 1
1 1237 . 11 1 1 A 104 104 ASP H H 104 8.100 8.920 -0.820 1
1 1238 . 11 1 1 A 104 104 ASP HA H 104 4.620 4.905 -0.285 1
1 1241 . 11 1 1 A 104 104 ASP CA C 104 53.900 55.745 -1.845 1
1 1242 . 11 1 1 A 104 104 ASP CB C 104 40.700 42.493 -1.793 1
1 1243 . 11 1 1 A 104 104 ASP N N 104 120.100 125.590 -5.490 1
1 1244 . 11 1 1 A 105 105 ALA H H 105 8.360 7.762 0.598 1
1 1245 . 11 1 1 A 105 105 ALA HA H 105 4.270 4.451 -0.181 1
1 1249 . 11 1 1 A 105 105 ALA CA C 105 52.900 52.888 0.012 1
1 1250 . 11 1 1 A 105 105 ALA CB C 105 18.800 20.659 -1.859 1
1 1251 . 11 1 1 A 105 105 ALA N N 105 124.600 118.942 5.658 1
1 1252 . 11 1 1 A 106 106 GLY H H 106 8.470 7.551 0.919 1
1 1253 . 11 1 1 A 106 106 GLY HA2 H 106 3.930 4.036 -0.106 1
1 1254 . 11 1 1 A 106 106 GLY HA3 H 106 3.910 4.036 -0.126 1
1 1255 . 11 1 1 A 106 106 GLY CA C 106 45.400 44.770 0.630 1
1 1256 . 11 1 1 A 106 106 GLY N N 106 107.500 106.020 1.480 1
1 1257 . 11 1 1 A 107 107 GLY H H 107 8.170 8.507 -0.337 1
1 1258 . 11 1 1 A 107 107 GLY HA2 H 107 3.950 4.017 -0.067 1
1 1259 . 11 1 1 A 107 107 GLY HA3 H 107 3.940 4.017 -0.077 1
1 1260 . 11 1 1 A 107 107 GLY CA C 107 45.300 45.239 0.061 1
1 1261 . 11 1 1 A 107 107 GLY N N 107 108.600 107.840 0.760 1
1 1262 . 11 1 1 A 108 108 LYS H H 108 8.160 7.611 0.549 1
1 1263 . 11 1 1 A 108 108 LYS HA H 108 4.260 4.843 -0.583 1
1 1272 . 11 1 1 A 108 108 LYS CA C 108 56.500 54.930 1.570 1
1 1273 . 11 1 1 A 108 108 LYS CB C 108 32.800 34.977 -2.177 1
1 1277 . 11 1 1 A 108 108 LYS N N 108 120.500 116.137 4.363 1
1 1278 . 11 1 1 A 109 109 LEU H H 109 8.220 8.799 -0.579 1
1 1279 . 11 1 1 A 109 109 LEU HA H 109 4.260 4.863 -0.603 1
1 1289 . 11 1 1 A 109 109 LEU CA C 109 55.000 54.020 0.980 1
1 1290 . 11 1 1 A 109 109 LEU CB C 109 41.900 43.663 -1.763 1
1 1294 . 11 1 1 A 109 109 LEU N N 109 122.200 115.131 7.069 1
1 1295 . 11 1 1 A 110 110 GLU H H 110 8.160 8.624 -0.464 1
1 1296 . 11 1 1 A 110 110 GLU HA H 110 4.190 4.692 -0.502 1
1 1301 . 11 1 1 A 110 110 GLU CA C 110 56.000 55.287 0.713 1
1 1302 . 11 1 1 A 110 110 GLU CB C 110 29.900 31.376 -1.476 1
1 1304 . 11 1 1 A 110 110 GLU N N 110 121.000 119.126 1.874 1
1 1305 . 11 1 1 A 111 111 HIS H H 111 8.460 8.797 -0.337 1
1 1306 . 11 1 1 A 111 111 HIS HA H 111 4.630 4.712 -0.082 1
1 1309 . 11 1 1 A 111 111 HIS CA C 111 54.900 57.549 -2.649 1
1 1310 . 11 1 1 A 111 111 HIS CB C 111 28.700 30.323 -1.623 1
1 1311 . 11 1 1 A 111 111 HIS N N 111 118.900 122.492 -3.592 1
1 1312 . 11 1 1 A 112 112 HIS H H 112 8.540 7.889 0.651 1
1 1313 . 11 1 1 A 112 112 HIS HA H 112 4.640 3.971 0.669 1
1 1316 . 11 1 1 A 112 112 HIS CA C 112 55.100 57.838 -2.738 1
1 1317 . 11 1 1 A 112 112 HIS CB C 112 28.900 29.802 -0.902 1
1 1318 . 11 1 1 A 112 112 HIS N N 112 119.100 119.913 -0.813 1
1 1319 . 11 1 1 A 113 113 HIS H H 113 8.630 7.807 0.823 1
1 1320 . 11 1 1 A 113 113 HIS HA H 113 4.670 3.821 0.849 1
1 1323 . 11 1 1 A 113 113 HIS CA C 113 55.200 57.112 -1.912 1
1 1324 . 11 1 1 A 113 113 HIS CB C 113 28.900 27.281 1.619 1
1 1325 . 11 1 1 A 113 113 HIS N N 113 119.400 119.076 0.324 1
1 1326 . 11 1 1 A 114 114 HIS H H 114 8.670 7.429 1.241 1
1 1327 . 11 1 1 A 114 114 HIS HA H 114 4.670 4.614 0.056 1
1 1330 . 11 1 1 A 114 114 HIS CA C 114 55.200 55.946 -0.746 1
1 1331 . 11 1 1 A 114 114 HIS CB C 114 29.100 30.617 -1.517 1
1 1332 . 11 1 1 A 114 114 HIS N N 114 120.400 116.254 4.146 1
1 1333 . 11 1 1 A 115 115 HIS H H 115 8.560 7.200 1.360 1
1 1334 . 11 1 1 A 115 115 HIS HA H 115 4.660 4.722 -0.062 1
1 1337 . 11 1 1 A 115 115 HIS CA C 115 55.300 54.739 0.561 1
1 1338 . 11 1 1 A 115 115 HIS CB C 115 29.300 31.114 -1.814 1
1 1339 . 11 1 1 A 115 115 HIS N N 115 120.600 114.715 5.885 1
1 5 . 12 1 1 A 2 2 ALA H H 2 8.190 7.574 0.616 1
1 6 . 12 1 1 A 2 2 ALA HA H 2 4.510 4.623 -0.113 1
1 10 . 12 1 1 A 2 2 ALA CA C 2 51.900 50.854 1.046 1
1 11 . 12 1 1 A 2 2 ALA CB C 2 19.500 19.504 -0.004 1
1 12 . 12 1 1 A 2 2 ALA N N 2 124.100 117.904 6.196 1
1 13 . 12 1 1 A 3 3 GLU H H 3 8.740 8.001 0.739 1
1 14 . 12 1 1 A 3 3 GLU HA H 3 4.380 4.361 0.019 1
1 19 . 12 1 1 A 3 3 GLU CA C 3 56.000 57.521 -1.521 1
1 20 . 12 1 1 A 3 3 GLU CB C 3 29.900 29.899 0.001 1
1 22 . 12 1 1 A 3 3 GLU N N 3 120.700 118.864 1.836 1
1 23 . 12 1 1 A 4 4 LYS H H 4 8.580 7.914 0.666 1
1 24 . 12 1 1 A 4 4 LYS HA H 4 4.280 4.564 -0.284 1
1 33 . 12 1 1 A 4 4 LYS CA C 4 56.600 56.728 -0.128 1
1 34 . 12 1 1 A 4 4 LYS CB C 4 32.600 34.892 -2.292 1
1 38 . 12 1 1 A 4 4 LYS N N 4 122.500 114.290 8.210 1
1 39 . 12 1 1 A 5 5 ASN H H 5 8.560 7.887 0.673 1
1 40 . 12 1 1 A 5 5 ASN HA H 5 4.700 4.437 0.263 1
1 45 . 12 1 1 A 5 5 ASN CA C 5 53.200 52.057 1.143 1
1 46 . 12 1 1 A 5 5 ASN CB C 5 38.900 41.746 -2.846 1
1 47 . 12 1 1 A 5 5 ASN N N 5 119.500 116.990 2.510 1
1 49 . 12 1 1 A 6 6 ALA H H 6 8.210 8.241 -0.031 1
1 50 . 12 1 1 A 6 6 ALA HA H 6 4.520 3.784 0.736 1
1 54 . 12 1 1 A 6 6 ALA CA C 6 51.800 52.813 -1.013 1
1 55 . 12 1 1 A 6 6 ALA CB C 6 19.600 17.409 2.191 1
1 56 . 12 1 1 A 6 6 ALA N N 6 124.100 122.383 1.717 1
1 57 . 12 1 1 A 7 7 TYR H H 7 8.740 7.740 1.000 1
1 58 . 12 1 1 A 7 7 TYR HA H 7 4.700 4.649 0.051 1
1 65 . 12 1 1 A 7 7 TYR CA C 7 58.900 58.099 0.801 1
1 66 . 12 1 1 A 7 7 TYR CB C 7 40.300 39.062 1.238 1
1 69 . 12 1 1 A 7 7 TYR N N 7 121.400 117.184 4.216 1
1 70 . 12 1 1 A 8 8 THR H H 8 8.170 8.959 -0.789 1
1 71 . 12 1 1 A 8 8 THR HA H 8 5.220 4.696 0.524 1
1 76 . 12 1 1 A 8 8 THR CA C 8 59.800 60.879 -1.079 1
1 77 . 12 1 1 A 8 8 THR CB C 8 71.600 71.181 0.419 1
1 79 . 12 1 1 A 8 8 THR N N 8 113.700 113.988 -0.288 1
1 80 . 12 1 1 A 9 9 VAL H H 9 8.990 9.216 -0.226 1
1 81 . 12 1 1 A 9 9 VAL HA H 9 3.370 3.996 -0.626 1
1 89 . 12 1 1 A 9 9 VAL CA C 9 66.700 64.586 2.114 1
1 90 . 12 1 1 A 9 9 VAL CB C 9 30.200 31.787 -1.587 1
1 93 . 12 1 1 A 9 9 VAL N N 9 121.400 122.404 -1.004 1
1 94 . 12 1 1 A 10 10 ALA H H 10 9.340 8.044 1.296 1
1 95 . 12 1 1 A 10 10 ALA HA H 10 3.720 4.053 -0.333 1
1 99 . 12 1 1 A 10 10 ALA CA C 10 55.800 55.419 0.381 1
1 100 . 12 1 1 A 10 10 ALA CB C 10 18.200 18.082 0.118 1
1 101 . 12 1 1 A 10 10 ALA N N 10 122.000 123.744 -1.744 1
1 102 . 12 1 1 A 11 11 GLN H H 11 7.330 7.969 -0.639 1
1 103 . 12 1 1 A 11 11 GLN HA H 11 4.050 4.256 -0.206 1
1 110 . 12 1 1 A 11 11 GLN CA C 11 58.400 58.421 -0.021 1
1 111 . 12 1 1 A 11 11 GLN CB C 11 28.700 28.327 0.373 1
1 113 . 12 1 1 A 11 11 GLN N N 11 115.300 117.638 -2.338 1
1 115 . 12 1 1 A 12 12 LEU H H 12 8.510 7.889 0.621 1
1 116 . 12 1 1 A 12 12 LEU HA H 12 4.200 4.059 0.141 1
1 126 . 12 1 1 A 12 12 LEU CA C 12 57.600 57.496 0.104 1
1 127 . 12 1 1 A 12 12 LEU CB C 12 41.700 41.297 0.403 1
1 131 . 12 1 1 A 12 12 LEU N N 12 121.500 122.165 -0.665 1
1 132 . 12 1 1 A 13 13 ALA H H 13 9.160 7.971 1.189 1
1 133 . 12 1 1 A 13 13 ALA HA H 13 3.990 4.090 -0.100 1
1 137 . 12 1 1 A 13 13 ALA CA C 13 55.400 55.365 0.035 1
1 138 . 12 1 1 A 13 13 ALA CB C 13 17.700 17.541 0.159 1
1 139 . 12 1 1 A 13 13 ALA N N 13 121.000 121.272 -0.272 1
1 140 . 12 1 1 A 14 14 ASP H H 14 7.920 8.476 -0.556 1
1 141 . 12 1 1 A 14 14 ASP HA H 14 4.480 4.655 -0.175 1
1 144 . 12 1 1 A 14 14 ASP CA C 14 57.200 57.568 -0.368 1
1 145 . 12 1 1 A 14 14 ASP CB C 14 39.500 39.823 -0.323 1
1 146 . 12 1 1 A 14 14 ASP N N 14 117.400 118.498 -1.098 1
1 147 . 12 1 1 A 15 15 GLU H H 15 8.210 7.923 0.287 1
1 148 . 12 1 1 A 15 15 GLU HA H 15 4.110 4.027 0.083 1
1 153 . 12 1 1 A 15 15 GLU CA C 15 59.800 59.325 0.475 1
1 154 . 12 1 1 A 15 15 GLU CB C 15 30.100 29.343 0.757 1
1 156 . 12 1 1 A 15 15 GLU N N 15 122.500 120.012 2.488 1
1 157 . 12 1 1 A 16 16 TYR H H 16 9.230 8.403 0.827 1
1 158 . 12 1 1 A 16 16 TYR HA H 16 3.180 4.167 -0.987 1
1 165 . 12 1 1 A 16 16 TYR CA C 16 61.100 61.534 -0.434 1
1 166 . 12 1 1 A 16 16 TYR CB C 16 38.300 38.430 -0.130 1
1 169 . 12 1 1 A 16 16 TYR N N 16 119.400 120.742 -1.342 1
1 170 . 12 1 1 A 17 17 PHE H H 17 8.700 8.501 0.199 1
1 171 . 12 1 1 A 17 17 PHE HA H 17 3.480 4.239 -0.759 1
1 178 . 12 1 1 A 17 17 PHE CA C 17 61.600 59.991 1.609 1
1 179 . 12 1 1 A 17 17 PHE CB C 17 39.300 37.869 1.431 1
1 182 . 12 1 1 A 17 17 PHE N N 17 118.400 117.641 0.759 1
1 183 . 12 1 1 A 18 18 GLU H H 18 8.280 7.666 0.614 1
1 184 . 12 1 1 A 18 18 GLU HA H 18 3.840 3.173 0.667 1
1 189 . 12 1 1 A 18 18 GLU CA C 18 58.800 59.231 -0.431 1
1 190 . 12 1 1 A 18 18 GLU CB C 18 29.000 28.656 0.344 1
1 192 . 12 1 1 A 18 18 GLU N N 18 118.500 121.220 -2.720 1
1 193 . 12 1 1 A 19 19 ARG H H 19 8.350 7.325 1.025 1
1 194 . 12 1 1 A 19 19 ARG HA H 19 4.200 4.144 0.056 1
1 202 . 12 1 1 A 19 19 ARG CA C 19 57.300 57.224 0.076 1
1 203 . 12 1 1 A 19 19 ARG CB C 19 30.900 30.808 0.092 1
1 206 . 12 1 1 A 19 19 ARG N N 19 114.300 117.706 -3.406 1
1 208 . 12 1 1 A 20 20 MET H H 20 7.960 7.401 0.559 1
1 209 . 12 1 1 A 20 20 MET HA H 20 4.610 4.182 0.428 1
1 217 . 12 1 1 A 20 20 MET CA C 20 54.100 56.172 -2.072 1
1 218 . 12 1 1 A 20 20 MET CB C 20 31.800 33.129 -1.329 1
1 221 . 12 1 1 A 20 20 MET N N 20 112.400 117.465 -5.065 1
1 222 . 12 1 1 A 21 21 ILE H H 21 6.970 7.476 -0.506 1
1 223 . 12 1 1 A 21 21 ILE HA H 21 4.050 4.351 -0.301 1
1 233 . 12 1 1 A 21 21 ILE CA C 21 59.800 60.401 -0.601 1
1 234 . 12 1 1 A 21 21 ILE CB C 21 35.900 37.795 -1.895 1
1 238 . 12 1 1 A 21 21 ILE N N 21 117.900 115.719 2.181 1
1 239 . 12 1 1 A 22 22 ALA H H 22 7.700 7.885 -0.185 1
1 240 . 12 1 1 A 22 22 ALA HA H 22 3.600 3.903 -0.303 1
1 244 . 12 1 1 A 22 22 ALA CA C 22 53.900 51.116 2.784 1
1 245 . 12 1 1 A 22 22 ALA CB C 22 18.000 19.268 -1.268 1
1 246 . 12 1 1 A 22 22 ALA N N 22 123.500 124.757 -1.257 1
1 247 . 12 1 1 A 23 23 GLY H H 23 8.460 8.114 0.346 1
1 248 . 12 1 1 A 23 23 GLY HA2 H 23 3.960 3.967 -0.007 1
1 249 . 12 1 1 A 23 23 GLY HA3 H 23 3.820 3.982 -0.162 1
1 250 . 12 1 1 A 23 23 GLY CA C 23 45.600 45.264 0.336 1
1 251 . 12 1 1 A 23 23 GLY N N 23 109.600 107.560 2.040 1
1 252 . 12 1 1 A 24 24 ARG H H 24 7.830 8.482 -0.652 1
1 253 . 12 1 1 A 24 24 ARG HA H 24 4.440 4.781 -0.341 1
1 261 . 12 1 1 A 24 24 ARG CA C 24 56.700 55.038 1.662 1
1 262 . 12 1 1 A 24 24 ARG CB C 24 32.400 30.953 1.447 1
1 265 . 12 1 1 A 24 24 ARG N N 24 118.400 123.554 -5.154 1
1 267 . 12 1 1 A 25 25 TRP H H 25 8.240 8.953 -0.713 1
1 268 . 12 1 1 A 25 25 TRP HA H 25 4.640 4.909 -0.269 1
1 277 . 12 1 1 A 25 25 TRP CA C 25 56.900 57.265 -0.365 1
1 278 . 12 1 1 A 25 25 TRP CB C 25 31.400 31.273 0.127 1
1 284 . 12 1 1 A 25 25 TRP N N 25 121.500 124.658 -3.158 1
1 286 . 12 1 1 A 26 26 LYS H H 26 7.890 6.795 1.095 1
1 287 . 12 1 1 A 26 26 LYS HA H 26 3.910 3.847 0.063 1
1 296 . 12 1 1 A 26 26 LYS CA C 26 56.800 57.453 -0.653 1
1 297 . 12 1 1 A 26 26 LYS CB C 26 32.200 31.859 0.341 1
1 301 . 12 1 1 A 26 26 LYS N N 26 122.500 116.509 5.991 1
1 302 . 12 1 1 A 27 27 HIS H H 27 7.840 8.609 -0.769 1
1 303 . 12 1 1 A 27 27 HIS HA H 27 5.230 4.076 1.154 1
1 307 . 12 1 1 A 27 27 HIS CA C 27 53.200 56.917 -3.717 1
1 308 . 12 1 1 A 27 27 HIS CB C 27 28.200 28.034 0.166 1
1 310 . 12 1 1 A 27 27 HIS N N 27 112.700 121.148 -8.448 1
1 311 . 12 1 1 A 28 28 PRO HA H 28 4.120 4.809 -0.689 1
1 318 . 12 1 1 A 28 28 PRO CA C 28 65.400 65.850 -0.450 1
1 319 . 12 1 1 A 28 28 PRO CB C 28 32.200 32.177 0.023 1
1 322 . 12 1 1 A 29 29 ASN H H 29 8.840 8.461 0.379 1
1 323 . 12 1 1 A 29 29 ASN HA H 29 4.470 4.526 -0.056 1
1 328 . 12 1 1 A 29 29 ASN CA C 29 56.100 55.979 0.121 1
1 329 . 12 1 1 A 29 29 ASN CB C 29 37.000 38.754 -1.754 1
1 330 . 12 1 1 A 29 29 ASN N N 29 116.300 115.770 0.530 1
1 332 . 12 1 1 A 30 30 ILE H H 30 7.630 7.712 -0.082 1
1 333 . 12 1 1 A 30 30 ILE HA H 30 3.910 3.490 0.420 1
1 343 . 12 1 1 A 30 30 ILE CA C 30 63.700 64.886 -1.186 1
1 344 . 12 1 1 A 30 30 ILE CB C 30 37.300 37.730 -0.430 1
1 348 . 12 1 1 A 30 30 ILE N N 30 121.500 119.396 2.104 1
1 349 . 12 1 1 A 31 31 VAL H H 31 6.920 8.214 -1.294 1
1 350 . 12 1 1 A 31 31 VAL HA H 31 3.020 3.774 -0.754 1
1 358 . 12 1 1 A 31 31 VAL CA C 31 65.500 64.970 0.530 1
1 359 . 12 1 1 A 31 31 VAL CB C 31 30.900 31.430 -0.530 1
1 362 . 12 1 1 A 31 31 VAL N N 31 119.900 121.334 -1.434 1
1 363 . 12 1 1 A 32 32 ARG H H 32 8.080 8.162 -0.082 1
1 364 . 12 1 1 A 32 32 ARG HA H 32 3.380 3.762 -0.382 1
1 371 . 12 1 1 A 32 32 ARG CA C 32 58.900 59.706 -0.806 1
1 372 . 12 1 1 A 32 32 ARG CB C 32 28.800 29.760 -0.960 1
1 375 . 12 1 1 A 32 32 ARG N N 32 118.900 121.441 -2.541 1
1 376 . 12 1 1 A 33 33 SER H H 33 7.840 7.839 0.001 1
1 377 . 12 1 1 A 33 33 SER HA H 33 4.130 4.016 0.114 1
1 380 . 12 1 1 A 33 33 SER CA C 33 61.900 61.617 0.283 1
1 381 . 12 1 1 A 33 33 SER CB C 33 62.700 62.916 -0.216 1
1 382 . 12 1 1 A 33 33 SER N N 33 113.400 113.941 -0.541 1
1 383 . 12 1 1 A 34 34 ARG H H 34 7.610 7.538 0.072 1
1 384 . 12 1 1 A 34 34 ARG HA H 34 4.370 4.026 0.344 1
1 392 . 12 1 1 A 34 34 ARG CA C 34 58.100 58.915 -0.815 1
1 393 . 12 1 1 A 34 34 ARG CB C 34 29.600 29.580 0.020 1
1 396 . 12 1 1 A 34 34 ARG N N 34 119.900 121.012 -1.112 1
1 398 . 12 1 1 A 35 35 ILE H H 35 8.070 8.005 0.065 1
1 399 . 12 1 1 A 35 35 ILE HA H 35 3.470 3.642 -0.172 1
1 409 . 12 1 1 A 35 35 ILE CA C 35 65.800 65.357 0.443 1
1 410 . 12 1 1 A 35 35 ILE CB C 35 38.200 37.793 0.407 1
1 414 . 12 1 1 A 35 35 ILE N N 35 118.600 120.545 -1.945 1
1 415 . 12 1 1 A 36 36 GLU H H 36 8.710 7.989 0.721 1
1 416 . 12 1 1 A 36 36 GLU HA H 36 3.880 4.208 -0.328 1
1 421 . 12 1 1 A 36 36 GLU CA C 36 58.400 58.680 -0.280 1
1 422 . 12 1 1 A 36 36 GLU CB C 36 30.000 30.144 -0.144 1
1 424 . 12 1 1 A 36 36 GLU N N 36 116.800 119.103 -2.303 1
1 425 . 12 1 1 A 37 37 LYS H H 37 8.550 7.926 0.624 1
1 426 . 12 1 1 A 37 37 LYS HA H 37 4.300 4.391 -0.091 1
1 435 . 12 1 1 A 37 37 LYS CA C 37 57.300 57.170 0.130 1
1 436 . 12 1 1 A 37 37 LYS CB C 37 33.000 33.076 -0.076 1
1 440 . 12 1 1 A 37 37 LYS N N 37 114.300 117.089 -2.789 1
1 441 . 12 1 1 A 38 38 ASP H H 38 7.480 8.018 -0.538 1
1 442 . 12 1 1 A 38 38 ASP HA H 38 4.970 4.891 0.079 1
1 445 . 12 1 1 A 38 38 ASP CA C 38 55.300 55.484 -0.184 1
1 446 . 12 1 1 A 38 38 ASP CB C 38 42.700 42.609 0.091 1
1 447 . 12 1 1 A 38 38 ASP N N 38 113.900 118.932 -5.032 1
1 448 . 12 1 1 A 39 39 ILE H H 39 7.540 7.973 -0.433 1
1 449 . 12 1 1 A 39 39 ILE HA H 39 3.940 3.922 0.018 1
1 459 . 12 1 1 A 39 39 ILE CA C 39 64.700 64.765 -0.065 1
1 460 . 12 1 1 A 39 39 ILE CB C 39 39.000 38.512 0.488 1
1 464 . 12 1 1 A 39 39 ILE N N 39 116.800 118.660 -1.860 1
1 465 . 12 1 1 A 40 40 LYS H H 40 8.840 7.747 1.093 1
1 466 . 12 1 1 A 40 40 LYS HA H 40 3.650 4.755 -1.105 1
1 475 . 12 1 1 A 40 40 LYS CA C 40 50.600 53.941 -3.341 1
1 476 . 12 1 1 A 40 40 LYS CB C 40 30.400 33.095 -2.695 1
1 480 . 12 1 1 A 40 40 LYS N N 40 118.400 120.209 -1.809 1
1 481 . 12 1 1 A 41 41 PRO HA H 41 4.280 4.403 -0.123 1
1 488 . 12 1 1 A 41 41 PRO CA C 41 65.700 64.993 0.707 1
1 489 . 12 1 1 A 41 41 PRO CB C 41 30.700 31.917 -1.217 1
1 492 . 12 1 1 A 42 42 ALA H H 42 6.660 8.264 -1.604 1
1 493 . 12 1 1 A 42 42 ALA HA H 42 4.430 4.525 -0.095 1
1 497 . 12 1 1 A 42 42 ALA CA C 42 53.800 51.838 1.962 1
1 498 . 12 1 1 A 42 42 ALA CB C 42 20.800 21.030 -0.230 1
1 499 . 12 1 1 A 42 42 ALA N N 42 115.300 118.745 -3.445 1
1 500 . 12 1 1 A 43 43 ILE H H 43 7.540 7.446 0.094 1
1 501 . 12 1 1 A 43 43 ILE HA H 43 4.810 4.397 0.413 1
1 511 . 12 1 1 A 43 43 ILE CA C 43 60.600 59.915 0.685 1
1 512 . 12 1 1 A 43 43 ILE CB C 43 41.200 39.208 1.992 1
1 516 . 12 1 1 A 43 43 ILE N N 43 105.000 115.251 -10.251 1
1 517 . 12 1 1 A 44 44 GLY H H 44 8.500 8.437 0.063 1
1 518 . 12 1 1 A 44 44 GLY HA2 H 44 4.170 4.075 0.095 1
1 519 . 12 1 1 A 44 44 GLY HA3 H 44 3.430 4.081 -0.651 1
1 520 . 12 1 1 A 44 44 GLY CA C 44 47.300 45.685 1.615 1
1 521 . 12 1 1 A 44 44 GLY N N 44 109.600 113.041 -3.441 1
1 522 . 12 1 1 A 45 45 SER H H 45 8.120 8.409 -0.289 1
1 523 . 12 1 1 A 45 45 SER HA H 45 4.440 4.605 -0.165 1
1 526 . 12 1 1 A 45 45 SER CA C 45 58.600 58.160 0.440 1
1 527 . 12 1 1 A 45 45 SER CB C 45 63.400 63.070 0.330 1
1 528 . 12 1 1 A 45 45 SER N N 45 110.400 115.462 -5.062 1
1 529 . 12 1 1 A 46 46 LEU H H 46 7.480 7.565 -0.085 1
1 530 . 12 1 1 A 46 46 LEU HA H 46 4.180 5.126 -0.946 1
1 540 . 12 1 1 A 46 46 LEU CA C 46 54.800 53.282 1.518 1
1 541 . 12 1 1 A 46 46 LEU CB C 46 41.700 45.594 -3.894 1
1 545 . 12 1 1 A 46 46 LEU N N 46 122.600 117.879 4.721 1
1 546 . 12 1 1 A 47 47 LYS H H 47 8.790 8.842 -0.052 1
1 547 . 12 1 1 A 47 47 LYS HA H 47 4.460 4.629 -0.169 1
1 556 . 12 1 1 A 47 47 LYS CA C 47 56.700 55.160 1.540 1
1 557 . 12 1 1 A 47 47 LYS CB C 47 31.100 34.055 -2.955 1
1 561 . 12 1 1 A 47 47 LYS N N 47 120.800 119.759 1.041 1
1 562 . 12 1 1 A 48 48 VAL H H 48 8.600 8.849 -0.249 1
1 563 . 12 1 1 A 48 48 VAL HA H 48 3.470 3.836 -0.366 1
1 571 . 12 1 1 A 48 48 VAL CA C 48 66.900 66.579 0.321 1
1 572 . 12 1 1 A 48 48 VAL CB C 48 31.000 31.533 -0.533 1
1 575 . 12 1 1 A 48 48 VAL N N 48 123.000 121.185 1.815 1
1 576 . 12 1 1 A 49 49 GLU H H 49 9.360 8.478 0.882 1
1 577 . 12 1 1 A 49 49 GLU HA H 49 4.180 4.291 -0.111 1
1 582 . 12 1 1 A 49 49 GLU CA C 49 57.600 58.545 -0.945 1
1 583 . 12 1 1 A 49 49 GLU CB C 49 28.500 29.582 -1.082 1
1 585 . 12 1 1 A 49 49 GLU N N 49 115.300 120.286 -4.986 1
1 586 . 12 1 1 A 50 50 ASP H H 50 7.840 8.077 -0.237 1
1 587 . 12 1 1 A 50 50 ASP HA H 50 4.840 4.807 0.033 1
1 590 . 12 1 1 A 50 50 ASP CA C 50 53.800 54.242 -0.442 1
1 591 . 12 1 1 A 50 50 ASP CB C 50 41.400 42.033 -0.633 1
1 592 . 12 1 1 A 50 50 ASP N N 50 118.900 119.897 -0.997 1
1 593 . 12 1 1 A 51 51 VAL H H 51 7.150 7.214 -0.064 1
1 594 . 12 1 1 A 51 51 VAL HA H 51 3.950 4.357 -0.407 1
1 602 . 12 1 1 A 51 51 VAL CA C 51 63.700 62.133 1.567 1
1 603 . 12 1 1 A 51 51 VAL CB C 51 30.900 31.162 -0.262 1
1 606 . 12 1 1 A 51 51 VAL N N 51 119.900 119.294 0.606 1
1 607 . 12 1 1 A 52 52 LYS H H 52 11.840 8.432 3.408 1
1 608 . 12 1 1 A 52 52 LYS HA H 52 4.980 4.353 0.627 1
1 617 . 12 1 1 A 52 52 LYS CA C 52 52.800 54.889 -2.089 1
1 618 . 12 1 1 A 52 52 LYS CB C 52 33.100 31.892 1.208 1
1 622 . 12 1 1 A 52 52 LYS N N 52 133.900 130.011 3.889 1
1 623 . 12 1 1 A 53 53 PRO HA H 53 4.370 4.355 0.015 1
1 630 . 12 1 1 A 53 53 PRO CA C 53 66.600 65.807 0.793 1
1 631 . 12 1 1 A 53 53 PRO CB C 53 31.600 31.960 -0.360 1
1 634 . 12 1 1 A 54 54 ARG H H 54 8.180 8.258 -0.078 1
1 635 . 12 1 1 A 54 54 ARG HA H 54 4.200 4.178 0.022 1
1 643 . 12 1 1 A 54 54 ARG CA C 54 58.300 59.178 -0.878 1
1 644 . 12 1 1 A 54 54 ARG CB C 54 28.700 29.612 -0.912 1
1 647 . 12 1 1 A 54 54 ARG N N 54 113.800 118.296 -4.496 1
1 649 . 12 1 1 A 55 55 HIS H H 55 7.650 7.699 -0.049 1
1 650 . 12 1 1 A 55 55 HIS HA H 55 4.430 4.429 0.001 1
1 655 . 12 1 1 A 55 55 HIS CA C 55 60.500 59.892 0.608 1
1 656 . 12 1 1 A 55 55 HIS CB C 55 31.400 29.840 1.560 1
1 659 . 12 1 1 A 55 55 HIS N N 55 118.400 117.777 0.623 1
1 660 . 12 1 1 A 56 56 ILE H H 56 7.280 8.009 -0.729 1
1 661 . 12 1 1 A 56 56 ILE HA H 56 3.480 3.542 -0.062 1
1 671 . 12 1 1 A 56 56 ILE CA C 56 61.900 64.767 -2.867 1
1 672 . 12 1 1 A 56 56 ILE CB C 56 33.900 37.164 -3.264 1
1 676 . 12 1 1 A 56 56 ILE N N 56 117.400 120.121 -2.721 1
1 677 . 12 1 1 A 57 57 ASP H H 57 8.010 7.819 0.191 1
1 678 . 12 1 1 A 57 57 ASP HA H 57 4.220 3.761 0.459 1
1 681 . 12 1 1 A 57 57 ASP CA C 57 57.200 57.581 -0.381 1
1 682 . 12 1 1 A 57 57 ASP CB C 57 40.900 40.744 0.156 1
1 683 . 12 1 1 A 57 57 ASP N N 57 119.400 122.069 -2.669 1
1 684 . 12 1 1 A 58 58 ASP H H 58 8.000 7.748 0.252 1
1 685 . 12 1 1 A 58 58 ASP HA H 58 4.380 4.347 0.033 1
1 688 . 12 1 1 A 58 58 ASP CA C 58 57.600 57.307 0.293 1
1 689 . 12 1 1 A 58 58 ASP CB C 58 39.200 40.636 -1.436 1
1 690 . 12 1 1 A 58 58 ASP N N 58 117.400 118.981 -1.581 1
1 691 . 12 1 1 A 59 59 VAL H H 59 7.800 7.602 0.198 1
1 692 . 12 1 1 A 59 59 VAL HA H 59 3.620 3.777 -0.157 1
1 700 . 12 1 1 A 59 59 VAL CA C 59 66.200 65.725 0.475 1
1 701 . 12 1 1 A 59 59 VAL CB C 59 31.400 31.390 0.010 1
1 704 . 12 1 1 A 59 59 VAL N N 59 121.200 116.306 4.894 1
1 705 . 12 1 1 A 60 60 LEU H H 60 8.030 7.875 0.155 1
1 706 . 12 1 1 A 60 60 LEU HA H 60 3.870 3.898 -0.028 1
1 716 . 12 1 1 A 60 60 LEU CA C 60 58.000 57.956 0.044 1
1 717 . 12 1 1 A 60 60 LEU CB C 60 40.300 40.935 -0.635 1
1 721 . 12 1 1 A 60 60 LEU N N 60 118.900 121.894 -2.994 1
1 722 . 12 1 1 A 61 61 LYS H H 61 8.710 8.312 0.398 1
1 723 . 12 1 1 A 61 61 LYS HA H 61 3.920 3.902 0.018 1
1 732 . 12 1 1 A 61 61 LYS CA C 61 59.600 60.070 -0.470 1
1 733 . 12 1 1 A 61 61 LYS CB C 61 32.500 32.437 0.063 1
1 737 . 12 1 1 A 61 61 LYS N N 61 118.300 117.652 0.648 1
1 738 . 12 1 1 A 62 62 ALA H H 62 7.590 7.877 -0.287 1
1 739 . 12 1 1 A 62 62 ALA HA H 62 4.170 4.039 0.131 1
1 743 . 12 1 1 A 62 62 ALA CA C 62 55.100 55.127 -0.027 1
1 744 . 12 1 1 A 62 62 ALA CB C 62 17.900 18.566 -0.666 1
1 745 . 12 1 1 A 62 62 ALA N N 62 121.000 122.484 -1.484 1
1 746 . 12 1 1 A 63 63 VAL H H 63 8.090 7.926 0.164 1
1 747 . 12 1 1 A 63 63 VAL HA H 63 3.710 3.834 -0.124 1
1 755 . 12 1 1 A 63 63 VAL CA C 63 65.700 64.509 1.191 1
1 756 . 12 1 1 A 63 63 VAL CB C 63 31.700 31.577 0.123 1
1 759 . 12 1 1 A 63 63 VAL N N 63 118.000 116.577 1.423 1
1 760 . 12 1 1 A 64 64 MET H H 64 8.360 7.827 0.533 1
1 761 . 12 1 1 A 64 64 MET HA H 64 4.110 4.261 -0.151 1
1 769 . 12 1 1 A 64 64 MET CA C 64 57.600 58.158 -0.558 1
1 770 . 12 1 1 A 64 64 MET CB C 64 31.700 32.255 -0.555 1
1 773 . 12 1 1 A 64 64 MET N N 64 119.400 120.419 -1.019 1
1 774 . 12 1 1 A 65 65 LYS H H 65 7.660 8.087 -0.427 1
1 775 . 12 1 1 A 65 65 LYS HA H 65 4.170 4.083 0.087 1
1 784 . 12 1 1 A 65 65 LYS CA C 65 58.100 59.072 -0.972 1
1 785 . 12 1 1 A 65 65 LYS CB C 65 32.500 32.083 0.417 1
1 789 . 12 1 1 A 65 65 LYS N N 65 118.900 118.776 0.124 1
1 790 . 12 1 1 A 66 66 ARG H H 66 7.600 8.078 -0.478 1
1 791 . 12 1 1 A 66 66 ARG HA H 66 4.430 4.498 -0.068 1
1 799 . 12 1 1 A 66 66 ARG CA C 66 56.600 56.206 0.394 1
1 800 . 12 1 1 A 66 66 ARG CB C 66 30.400 30.501 -0.101 1
1 803 . 12 1 1 A 66 66 ARG N N 66 115.800 117.095 -1.295 1
1 805 . 12 1 1 A 67 67 GLY H H 67 7.830 7.846 -0.016 1
1 806 . 12 1 1 A 67 67 GLY HA2 H 67 4.010 4.080 -0.070 1
1 807 . 12 1 1 A 67 67 GLY HA3 H 67 3.980 4.084 -0.104 1
1 808 . 12 1 1 A 67 67 GLY CA C 67 45.700 45.304 0.396 1
1 809 . 12 1 1 A 67 67 GLY N N 67 107.400 109.124 -1.724 1
1 810 . 12 1 1 A 68 68 ALA H H 68 7.730 8.495 -0.765 1
1 811 . 12 1 1 A 68 68 ALA HA H 68 4.980 4.850 0.130 1
1 815 . 12 1 1 A 68 68 ALA CA C 68 49.700 49.774 -0.074 1
1 816 . 12 1 1 A 68 68 ALA CB C 68 18.900 22.081 -3.181 1
1 817 . 12 1 1 A 68 68 ALA N N 68 122.500 123.720 -1.220 1
1 818 . 12 1 1 A 69 69 PRO HA H 69 4.350 4.227 0.123 1
1 825 . 12 1 1 A 69 69 PRO CA C 69 65.400 64.940 0.460 1
1 826 . 12 1 1 A 69 69 PRO CB C 69 31.700 32.060 -0.360 1
1 829 . 12 1 1 A 70 70 SER H H 70 8.430 8.489 -0.059 1
1 830 . 12 1 1 A 70 70 SER HA H 70 4.250 4.198 0.052 1
1 833 . 12 1 1 A 70 70 SER CA C 70 61.000 61.651 -0.651 1
1 834 . 12 1 1 A 70 70 SER CB C 70 61.500 62.872 -1.372 1
1 835 . 12 1 1 A 70 70 SER N N 70 112.200 113.969 -1.769 1
1 836 . 12 1 1 A 71 71 ILE H H 71 7.430 7.780 -0.350 1
1 837 . 12 1 1 A 71 71 ILE HA H 71 3.980 3.782 0.198 1
1 847 . 12 1 1 A 71 71 ILE CA C 71 63.100 64.766 -1.666 1
1 848 . 12 1 1 A 71 71 ILE CB C 71 36.700 37.166 -0.466 1
1 852 . 12 1 1 A 71 71 ILE N N 71 122.000 121.502 0.498 1
1 853 . 12 1 1 A 72 72 ALA H H 72 7.780 8.016 -0.236 1
1 854 . 12 1 1 A 72 72 ALA HA H 72 3.910 3.941 -0.031 1
1 858 . 12 1 1 A 72 72 ALA CA C 72 55.800 55.978 -0.178 1
1 859 . 12 1 1 A 72 72 ALA CB C 72 17.900 18.285 -0.385 1
1 860 . 12 1 1 A 72 72 ALA N N 72 126.100 122.691 3.409 1
1 861 . 12 1 1 A 73 73 ASN H H 73 8.180 8.038 0.142 1
1 862 . 12 1 1 A 73 73 ASN HA H 73 4.410 4.458 -0.048 1
1 867 . 12 1 1 A 73 73 ASN CA C 73 55.900 56.469 -0.569 1
1 868 . 12 1 1 A 73 73 ASN CB C 73 37.800 37.750 0.050 1
1 869 . 12 1 1 A 73 73 ASN N N 73 116.700 117.228 -0.528 1
1 871 . 12 1 1 A 74 74 ASP H H 74 8.120 8.023 0.097 1
1 872 . 12 1 1 A 74 74 ASP HA H 74 4.410 4.428 -0.018 1
1 875 . 12 1 1 A 74 74 ASP CA C 74 57.500 57.214 0.286 1
1 876 . 12 1 1 A 74 74 ASP CB C 74 41.400 41.202 0.198 1
1 877 . 12 1 1 A 74 74 ASP N N 74 120.800 119.805 0.995 1
1 878 . 12 1 1 A 75 75 THR H H 75 8.360 8.396 -0.036 1
1 879 . 12 1 1 A 75 75 THR HA H 75 3.750 3.990 -0.240 1
1 884 . 12 1 1 A 75 75 THR CA C 75 68.800 67.315 1.485 1
1 885 . 12 1 1 A 75 75 THR CB C 75 67.700 67.935 -0.235 1
1 887 . 12 1 1 A 75 75 THR N N 75 116.300 116.582 -0.282 1
1 888 . 12 1 1 A 76 76 LEU H H 76 8.160 8.306 -0.146 1
1 889 . 12 1 1 A 76 76 LEU HA H 76 3.980 4.019 -0.039 1
1 899 . 12 1 1 A 76 76 LEU CA C 76 58.000 58.090 -0.090 1
1 900 . 12 1 1 A 76 76 LEU CB C 76 40.500 41.364 -0.864 1
1 904 . 12 1 1 A 76 76 LEU N N 76 121.000 121.579 -0.579 1
1 905 . 12 1 1 A 77 77 ARG H H 77 7.810 7.922 -0.112 1
1 906 . 12 1 1 A 77 77 ARG HA H 77 3.790 3.929 -0.139 1
1 914 . 12 1 1 A 77 77 ARG CA C 77 60.000 59.541 0.459 1
1 915 . 12 1 1 A 77 77 ARG CB C 77 29.400 29.892 -0.492 1
1 918 . 12 1 1 A 77 77 ARG N N 77 118.400 119.226 -0.826 1
1 920 . 12 1 1 A 78 78 TRP H H 78 7.870 8.233 -0.363 1
1 921 . 12 1 1 A 78 78 TRP HA H 78 4.490 4.322 0.168 1
1 930 . 12 1 1 A 78 78 TRP CA C 78 60.200 61.016 -0.816 1
1 931 . 12 1 1 A 78 78 TRP CB C 78 28.700 29.882 -1.182 1
1 937 . 12 1 1 A 78 78 TRP N N 78 118.300 122.206 -3.906 1
1 939 . 12 1 1 A 79 79 LEU H H 79 8.630 8.884 -0.254 1
1 940 . 12 1 1 A 79 79 LEU HA H 79 3.940 3.768 0.172 1
1 950 . 12 1 1 A 79 79 LEU CA C 79 58.200 58.069 0.131 1
1 951 . 12 1 1 A 79 79 LEU CB C 79 42.300 41.539 0.761 1
1 955 . 12 1 1 A 79 79 LEU N N 79 120.200 119.625 0.575 1
1 956 . 12 1 1 A 80 80 LYS H H 80 8.710 8.186 0.524 1
1 957 . 12 1 1 A 80 80 LYS HA H 80 3.880 3.993 -0.113 1
1 966 . 12 1 1 A 80 80 LYS CA C 80 61.300 60.089 1.211 1
1 967 . 12 1 1 A 80 80 LYS CB C 80 32.300 32.764 -0.464 1
1 971 . 12 1 1 A 80 80 LYS N N 80 118.400 120.523 -2.123 1
1 972 . 12 1 1 A 81 81 ARG H H 81 7.800 7.755 0.045 1
1 973 . 12 1 1 A 81 81 ARG HA H 81 4.030 3.933 0.097 1
1 981 . 12 1 1 A 81 81 ARG CA C 81 59.700 59.284 0.416 1
1 982 . 12 1 1 A 81 81 ARG CB C 81 30.400 29.696 0.704 1
1 985 . 12 1 1 A 81 81 ARG N N 81 117.400 118.106 -0.706 1
1 987 . 12 1 1 A 82 82 MET H H 82 8.530 7.534 0.996 1
1 988 . 12 1 1 A 82 82 MET HA H 82 3.000 3.513 -0.513 1
1 996 . 12 1 1 A 82 82 MET CA C 82 58.900 58.166 0.734 1
1 997 . 12 1 1 A 82 82 MET CB C 82 32.300 31.302 0.998 1
1 1000 . 12 1 1 A 82 82 MET N N 82 121.400 118.575 2.825 1
1 1001 . 12 1 1 A 83 83 PHE H H 83 8.340 8.414 -0.074 1
1 1002 . 12 1 1 A 83 83 PHE HA H 83 4.340 4.282 0.058 1
1 1010 . 12 1 1 A 83 83 PHE CA C 83 61.900 61.065 0.835 1
1 1011 . 12 1 1 A 83 83 PHE CB C 83 38.800 38.631 0.169 1
1 1015 . 12 1 1 A 83 83 PHE N N 83 116.900 117.870 -0.970 1
1 1016 . 12 1 1 A 84 84 ASN H H 84 8.170 8.516 -0.346 1
1 1017 . 12 1 1 A 84 84 ASN HA H 84 4.670 4.556 0.114 1
1 1022 . 12 1 1 A 84 84 ASN CA C 84 55.800 56.452 -0.652 1
1 1023 . 12 1 1 A 84 84 ASN CB C 84 37.500 38.688 -1.188 1
1 1024 . 12 1 1 A 84 84 ASN N N 84 120.500 118.381 2.119 1
1 1026 . 12 1 1 A 85 85 TYR H H 85 7.910 8.169 -0.259 1
1 1027 . 12 1 1 A 85 85 TYR HA H 85 4.320 4.169 0.151 1
1 1034 . 12 1 1 A 85 85 TYR CA C 85 61.100 61.755 -0.655 1
1 1035 . 12 1 1 A 85 85 TYR CB C 85 37.900 38.653 -0.753 1
1 1038 . 12 1 1 A 85 85 TYR N N 85 124.000 120.735 3.265 1
1 1039 . 12 1 1 A 86 86 ALA H H 86 7.780 7.863 -0.083 1
1 1040 . 12 1 1 A 86 86 ALA HA H 86 3.670 3.982 -0.312 1
1 1044 . 12 1 1 A 86 86 ALA CA C 86 54.800 54.973 -0.173 1
1 1045 . 12 1 1 A 86 86 ALA CB C 86 18.100 18.666 -0.566 1
1 1046 . 12 1 1 A 86 86 ALA N N 86 120.500 121.327 -0.827 1
1 1047 . 12 1 1 A 87 87 ILE H H 87 7.880 7.960 -0.080 1
1 1048 . 12 1 1 A 87 87 ILE HA H 87 4.240 3.945 0.295 1
1 1058 . 12 1 1 A 87 87 ILE CA C 87 63.900 65.543 -1.643 1
1 1059 . 12 1 1 A 87 87 ILE CB C 87 37.900 37.669 0.231 1
1 1063 . 12 1 1 A 87 87 ILE N N 87 120.400 118.744 1.656 1
1 1064 . 12 1 1 A 88 88 LYS H H 88 7.880 8.541 -0.661 1
1 1065 . 12 1 1 A 88 88 LYS HA H 88 3.900 3.880 0.020 1
1 1074 . 12 1 1 A 88 88 LYS CA C 88 58.900 58.614 0.286 1
1 1075 . 12 1 1 A 88 88 LYS CB C 88 31.300 32.041 -0.741 1
1 1079 . 12 1 1 A 88 88 LYS N N 88 124.300 120.443 3.857 1
1 1080 . 12 1 1 A 89 89 ARG H H 89 7.350 7.061 0.289 1
1 1081 . 12 1 1 A 89 89 ARG HA H 89 4.020 4.319 -0.299 1
1 1088 . 12 1 1 A 89 89 ARG CA C 89 54.600 56.083 -1.483 1
1 1089 . 12 1 1 A 89 89 ARG CB C 89 29.100 30.591 -1.491 1
1 1092 . 12 1 1 A 89 89 ARG N N 89 114.300 119.591 -5.291 1
1 1093 . 12 1 1 A 90 90 HIS H H 90 8.030 8.027 0.003 1
1 1094 . 12 1 1 A 90 90 HIS HA H 90 4.330 4.206 0.124 1
1 1098 . 12 1 1 A 90 90 HIS CA C 90 56.300 57.073 -0.773 1
1 1099 . 12 1 1 A 90 90 HIS CB C 90 25.200 26.529 -1.329 1
1 1101 . 12 1 1 A 90 90 HIS N N 90 113.200 115.471 -2.271 1
1 1102 . 12 1 1 A 91 91 ILE H H 91 8.370 8.260 0.110 1
1 1103 . 12 1 1 A 91 91 ILE HA H 91 3.830 3.983 -0.153 1
1 1113 . 12 1 1 A 91 91 ILE CA C 91 63.600 63.011 0.589 1
1 1114 . 12 1 1 A 91 91 ILE CB C 91 39.300 38.495 0.805 1
1 1118 . 12 1 1 A 91 91 ILE N N 91 118.400 117.849 0.551 1
1 1119 . 12 1 1 A 92 92 ILE H H 92 6.860 7.652 -0.792 1
1 1120 . 12 1 1 A 92 92 ILE HA H 92 4.570 4.735 -0.165 1
1 1130 . 12 1 1 A 92 92 ILE CA C 92 58.800 58.533 0.267 1
1 1131 . 12 1 1 A 92 92 ILE CB C 92 42.700 40.768 1.932 1
1 1135 . 12 1 1 A 92 92 ILE N N 92 108.600 117.442 -8.842 1
1 1136 . 12 1 1 A 93 93 GLU H H 93 8.690 9.099 -0.409 1
1 1137 . 12 1 1 A 93 93 GLU HA H 93 4.470 4.389 0.081 1
1 1142 . 12 1 1 A 93 93 GLU CA C 93 56.400 56.440 -0.040 1
1 1143 . 12 1 1 A 93 93 GLU CB C 93 31.200 31.947 -0.747 1
1 1145 . 12 1 1 A 93 93 GLU N N 93 116.800 122.338 -5.538 1
1 1146 . 12 1 1 A 94 94 TYR H H 94 7.420 7.734 -0.314 1
1 1147 . 12 1 1 A 94 94 TYR HA H 94 4.710 5.180 -0.470 1
1 1154 . 12 1 1 A 94 94 TYR CA C 94 55.800 56.849 -1.049 1
1 1155 . 12 1 1 A 94 94 TYR CB C 94 40.600 43.006 -2.406 1
1 1158 . 12 1 1 A 94 94 TYR N N 94 117.900 117.474 0.426 1
1 1159 . 12 1 1 A 95 95 ASN H H 95 8.960 8.833 0.127 1
1 1160 . 12 1 1 A 95 95 ASN HA H 95 4.550 5.291 -0.741 1
1 1165 . 12 1 1 A 95 95 ASN CA C 95 49.700 50.458 -0.758 1
1 1166 . 12 1 1 A 95 95 ASN CB C 95 39.200 39.395 -0.195 1
1 1167 . 12 1 1 A 95 95 ASN N N 95 122.500 120.158 2.342 1
1 1169 . 12 1 1 A 96 96 PRO HA H 96 4.300 4.267 0.033 1
1 1176 . 12 1 1 A 96 96 PRO CA C 96 64.000 64.837 -0.837 1
1 1177 . 12 1 1 A 96 96 PRO CB C 96 31.100 31.692 -0.592 1
1 1180 . 12 1 1 A 97 97 ALA H H 97 8.090 7.820 0.270 1
1 1181 . 12 1 1 A 97 97 ALA HA H 97 4.540 4.353 0.187 1
1 1185 . 12 1 1 A 97 97 ALA CA C 97 51.200 54.046 -2.846 1
1 1186 . 12 1 1 A 97 97 ALA CB C 97 18.900 18.868 0.032 1
1 1187 . 12 1 1 A 97 97 ALA N N 97 118.400 119.472 -1.072 1
1 1188 . 12 1 1 A 98 98 ALA H H 98 7.330 7.858 -0.528 1
1 1189 . 12 1 1 A 98 98 ALA HA H 98 3.990 4.245 -0.255 1
1 1193 . 12 1 1 A 98 98 ALA CA C 98 54.700 53.490 1.210 1
1 1194 . 12 1 1 A 98 98 ALA CB C 98 18.900 18.652 0.248 1
1 1195 . 12 1 1 A 98 98 ALA N N 98 120.500 119.634 0.866 1
1 1196 . 12 1 1 A 99 99 ALA H H 99 8.020 7.578 0.442 1
1 1197 . 12 1 1 A 99 99 ALA HA H 99 4.180 4.066 0.114 1
1 1201 . 12 1 1 A 99 99 ALA CA C 99 52.500 53.023 -0.523 1
1 1202 . 12 1 1 A 99 99 ALA CB C 99 18.200 18.588 -0.388 1
1 1203 . 12 1 1 A 99 99 ALA N N 99 117.400 119.468 -2.068 1
1 1204 . 12 1 1 A 100 100 PHE H H 100 7.320 7.352 -0.032 1
1 1205 . 12 1 1 A 100 100 PHE HA H 100 4.360 5.123 -0.763 1
1 1210 . 12 1 1 A 100 100 PHE CA C 100 57.700 56.478 1.222 1
1 1211 . 12 1 1 A 100 100 PHE CB C 100 40.500 41.898 -1.398 1
1 1213 . 12 1 1 A 100 100 PHE N N 100 117.400 116.529 0.871 1
1 1214 . 12 1 1 A 101 101 ASP H H 101 8.520 8.708 -0.188 1
1 1215 . 12 1 1 A 101 101 ASP HA H 101 4.910 5.133 -0.223 1
1 1218 . 12 1 1 A 101 101 ASP CA C 101 51.400 50.406 0.994 1
1 1219 . 12 1 1 A 101 101 ASP CB C 101 41.400 42.557 -1.157 1
1 1220 . 12 1 1 A 101 101 ASP N N 101 122.600 124.357 -1.757 1
1 1221 . 12 1 1 A 102 102 PRO HA H 102 4.350 4.369 -0.019 1
1 1228 . 12 1 1 A 102 102 PRO CA C 102 63.400 64.329 -0.929 1
1 1229 . 12 1 1 A 102 102 PRO CB C 102 31.900 32.085 -0.185 1
1 1232 . 12 1 1 A 103 103 GLY H H 103 8.440 8.633 -0.193 1
1 1233 . 12 1 1 A 103 103 GLY HA2 H 103 3.890 4.010 -0.120 1
1 1234 . 12 1 1 A 103 103 GLY HA3 H 103 3.860 4.011 -0.151 1
1 1235 . 12 1 1 A 103 103 GLY CA C 103 45.100 46.316 -1.216 1
1 1236 . 12 1 1 A 103 103 GLY N N 103 108.300 110.043 -1.743 1
1 1237 . 12 1 1 A 104 104 ASP H H 104 8.100 7.990 0.110 1
1 1238 . 12 1 1 A 104 104 ASP HA H 104 4.620 5.001 -0.381 1
1 1241 . 12 1 1 A 104 104 ASP CA C 104 53.900 52.422 1.478 1
1 1242 . 12 1 1 A 104 104 ASP CB C 104 40.700 43.289 -2.589 1
1 1243 . 12 1 1 A 104 104 ASP N N 104 120.100 121.829 -1.729 1
1 1244 . 12 1 1 A 105 105 ALA H H 105 8.360 8.338 0.022 1
1 1245 . 12 1 1 A 105 105 ALA HA H 105 4.270 4.670 -0.400 1
1 1249 . 12 1 1 A 105 105 ALA CA C 105 52.900 51.429 1.471 1
1 1250 . 12 1 1 A 105 105 ALA CB C 105 18.800 19.615 -0.815 1
1 1251 . 12 1 1 A 105 105 ALA N N 105 124.600 124.324 0.276 1
1 1252 . 12 1 1 A 106 106 GLY H H 106 8.470 8.419 0.051 1
1 1253 . 12 1 1 A 106 106 GLY HA2 H 106 3.930 3.973 -0.043 1
1 1254 . 12 1 1 A 106 106 GLY HA3 H 106 3.910 3.974 -0.064 1
1 1255 . 12 1 1 A 106 106 GLY CA C 106 45.400 46.504 -1.104 1
1 1256 . 12 1 1 A 106 106 GLY N N 106 107.500 107.606 -0.106 1
1 1257 . 12 1 1 A 107 107 GLY H H 107 8.170 8.598 -0.428 1
1 1258 . 12 1 1 A 107 107 GLY HA2 H 107 3.950 3.907 0.043 1
1 1259 . 12 1 1 A 107 107 GLY HA3 H 107 3.940 3.909 0.031 1
1 1260 . 12 1 1 A 107 107 GLY CA C 107 45.300 45.533 -0.233 1
1 1261 . 12 1 1 A 107 107 GLY N N 107 108.600 108.257 0.343 1
1 1262 . 12 1 1 A 108 108 LYS H H 108 8.160 7.418 0.742 1
1 1263 . 12 1 1 A 108 108 LYS HA H 108 4.260 4.806 -0.546 1
1 1272 . 12 1 1 A 108 108 LYS CA C 108 56.500 54.725 1.775 1
1 1273 . 12 1 1 A 108 108 LYS CB C 108 32.800 35.136 -2.336 1
1 1277 . 12 1 1 A 108 108 LYS N N 108 120.500 115.119 5.381 1
1 1278 . 12 1 1 A 109 109 LEU H H 109 8.220 8.766 -0.546 1
1 1279 . 12 1 1 A 109 109 LEU HA H 109 4.260 4.840 -0.580 1
1 1289 . 12 1 1 A 109 109 LEU CA C 109 55.000 53.959 1.041 1
1 1290 . 12 1 1 A 109 109 LEU CB C 109 41.900 44.029 -2.129 1
1 1294 . 12 1 1 A 109 109 LEU N N 109 122.200 114.787 7.413 1
1 1295 . 12 1 1 A 110 110 GLU H H 110 8.160 8.484 -0.324 1
1 1296 . 12 1 1 A 110 110 GLU HA H 110 4.190 4.902 -0.712 1
1 1301 . 12 1 1 A 110 110 GLU CA C 110 56.000 54.444 1.556 1
1 1302 . 12 1 1 A 110 110 GLU CB C 110 29.900 32.932 -3.032 1
1 1304 . 12 1 1 A 110 110 GLU N N 110 121.000 116.938 4.062 1
1 1305 . 12 1 1 A 111 111 HIS H H 111 8.460 8.332 0.128 1
1 1306 . 12 1 1 A 111 111 HIS HA H 111 4.630 4.616 0.014 1
1 1309 . 12 1 1 A 111 111 HIS CA C 111 54.900 57.305 -2.405 1
1 1310 . 12 1 1 A 111 111 HIS CB C 111 28.700 30.963 -2.263 1
1 1311 . 12 1 1 A 111 111 HIS N N 111 118.900 119.631 -0.731 1
1 1312 . 12 1 1 A 112 112 HIS H H 112 8.540 8.035 0.505 1
1 1313 . 12 1 1 A 112 112 HIS HA H 112 4.640 4.115 0.525 1
1 1316 . 12 1 1 A 112 112 HIS CA C 112 55.100 56.777 -1.677 1
1 1317 . 12 1 1 A 112 112 HIS CB C 112 28.900 26.724 2.176 1
1 1318 . 12 1 1 A 112 112 HIS N N 112 119.100 114.444 4.656 1
1 1319 . 12 1 1 A 113 113 HIS H H 113 8.630 7.637 0.993 1
1 1320 . 12 1 1 A 113 113 HIS HA H 113 4.670 4.596 0.074 1
1 1323 . 12 1 1 A 113 113 HIS CA C 113 55.200 54.809 0.391 1
1 1324 . 12 1 1 A 113 113 HIS CB C 113 28.900 30.084 -1.184 1
1 1325 . 12 1 1 A 113 113 HIS N N 113 119.400 117.144 2.256 1
1 1326 . 12 1 1 A 114 114 HIS H H 114 8.670 7.247 1.423 1
1 1327 . 12 1 1 A 114 114 HIS HA H 114 4.670 4.987 -0.317 1
1 1330 . 12 1 1 A 114 114 HIS CA C 114 55.200 54.137 1.063 1
1 1331 . 12 1 1 A 114 114 HIS CB C 114 29.100 30.534 -1.434 1
1 1332 . 12 1 1 A 114 114 HIS N N 114 120.400 119.480 0.920 1
1 1333 . 12 1 1 A 115 115 HIS H H 115 8.560 9.133 -0.573 1
1 1334 . 12 1 1 A 115 115 HIS HA H 115 4.660 5.328 -0.668 1
1 1337 . 12 1 1 A 115 115 HIS CA C 115 55.300 53.559 1.741 1
1 1338 . 12 1 1 A 115 115 HIS CB C 115 29.300 32.637 -3.337 1
1 1339 . 12 1 1 A 115 115 HIS N N 115 120.600 122.733 -2.133 1
1 5 . 13 1 1 A 2 2 ALA H H 2 8.190 7.964 0.226 1
1 6 . 13 1 1 A 2 2 ALA HA H 2 4.510 4.667 -0.157 1
1 10 . 13 1 1 A 2 2 ALA CA C 2 51.900 50.838 1.062 1
1 11 . 13 1 1 A 2 2 ALA CB C 2 19.500 20.897 -1.397 1
1 12 . 13 1 1 A 2 2 ALA N N 2 124.100 119.995 4.105 1
1 13 . 13 1 1 A 3 3 GLU H H 3 8.740 8.649 0.091 1
1 14 . 13 1 1 A 3 3 GLU HA H 3 4.380 4.116 0.264 1
1 19 . 13 1 1 A 3 3 GLU CA C 3 56.000 57.546 -1.546 1
1 20 . 13 1 1 A 3 3 GLU CB C 3 29.900 32.233 -2.333 1
1 22 . 13 1 1 A 3 3 GLU N N 3 120.700 123.693 -2.993 1
1 23 . 13 1 1 A 4 4 LYS H H 4 8.580 8.197 0.383 1
1 24 . 13 1 1 A 4 4 LYS HA H 4 4.280 4.151 0.129 1
1 33 . 13 1 1 A 4 4 LYS CA C 4 56.600 58.380 -1.780 1
1 34 . 13 1 1 A 4 4 LYS CB C 4 32.600 33.240 -0.640 1
1 38 . 13 1 1 A 4 4 LYS N N 4 122.500 118.885 3.615 1
1 39 . 13 1 1 A 5 5 ASN H H 5 8.560 8.346 0.214 1
1 40 . 13 1 1 A 5 5 ASN HA H 5 4.700 4.825 -0.125 1
1 45 . 13 1 1 A 5 5 ASN CA C 5 53.200 54.930 -1.730 1
1 46 . 13 1 1 A 5 5 ASN CB C 5 38.900 39.199 -0.299 1
1 47 . 13 1 1 A 5 5 ASN N N 5 119.500 117.696 1.804 1
1 49 . 13 1 1 A 6 6 ALA H H 6 8.210 8.093 0.117 1
1 50 . 13 1 1 A 6 6 ALA HA H 6 4.520 4.878 -0.358 1
1 54 . 13 1 1 A 6 6 ALA CA C 6 51.800 50.649 1.151 1
1 55 . 13 1 1 A 6 6 ALA CB C 6 19.600 21.150 -1.550 1
1 56 . 13 1 1 A 6 6 ALA N N 6 124.100 121.224 2.876 1
1 57 . 13 1 1 A 7 7 TYR H H 7 8.740 8.653 0.087 1
1 58 . 13 1 1 A 7 7 TYR HA H 7 4.700 4.850 -0.150 1
1 65 . 13 1 1 A 7 7 TYR CA C 7 58.900 58.396 0.504 1
1 66 . 13 1 1 A 7 7 TYR CB C 7 40.300 40.460 -0.160 1
1 69 . 13 1 1 A 7 7 TYR N N 7 121.400 123.637 -2.237 1
1 70 . 13 1 1 A 8 8 THR H H 8 8.170 8.426 -0.256 1
1 71 . 13 1 1 A 8 8 THR HA H 8 5.220 4.715 0.505 1
1 76 . 13 1 1 A 8 8 THR CA C 8 59.800 60.292 -0.492 1
1 77 . 13 1 1 A 8 8 THR CB C 8 71.600 71.931 -0.331 1
1 79 . 13 1 1 A 8 8 THR N N 8 113.700 116.188 -2.488 1
1 80 . 13 1 1 A 9 9 VAL H H 9 8.990 8.441 0.549 1
1 81 . 13 1 1 A 9 9 VAL HA H 9 3.370 3.673 -0.303 1
1 89 . 13 1 1 A 9 9 VAL CA C 9 66.700 64.299 2.401 1
1 90 . 13 1 1 A 9 9 VAL CB C 9 30.200 31.492 -1.292 1
1 93 . 13 1 1 A 9 9 VAL N N 9 121.400 119.077 2.323 1
1 94 . 13 1 1 A 10 10 ALA H H 10 9.340 8.069 1.271 1
1 95 . 13 1 1 A 10 10 ALA HA H 10 3.720 3.934 -0.214 1
1 99 . 13 1 1 A 10 10 ALA CA C 10 55.800 55.486 0.314 1
1 100 . 13 1 1 A 10 10 ALA CB C 10 18.200 17.874 0.326 1
1 101 . 13 1 1 A 10 10 ALA N N 10 122.000 124.099 -2.099 1
1 102 . 13 1 1 A 11 11 GLN H H 11 7.330 7.409 -0.079 1
1 103 . 13 1 1 A 11 11 GLN HA H 11 4.050 3.994 0.056 1
1 110 . 13 1 1 A 11 11 GLN CA C 11 58.400 58.666 -0.266 1
1 111 . 13 1 1 A 11 11 GLN CB C 11 28.700 28.249 0.451 1
1 113 . 13 1 1 A 11 11 GLN N N 11 115.300 117.788 -2.488 1
1 115 . 13 1 1 A 12 12 LEU H H 12 8.510 7.770 0.740 1
1 116 . 13 1 1 A 12 12 LEU HA H 12 4.200 4.299 -0.099 1
1 126 . 13 1 1 A 12 12 LEU CA C 12 57.600 57.822 -0.222 1
1 127 . 13 1 1 A 12 12 LEU CB C 12 41.700 40.991 0.709 1
1 131 . 13 1 1 A 12 12 LEU N N 12 121.500 121.940 -0.440 1
1 132 . 13 1 1 A 13 13 ALA H H 13 9.160 7.916 1.244 1
1 133 . 13 1 1 A 13 13 ALA HA H 13 3.990 4.165 -0.175 1
1 137 . 13 1 1 A 13 13 ALA CA C 13 55.400 54.867 0.533 1
1 138 . 13 1 1 A 13 13 ALA CB C 13 17.700 18.094 -0.394 1
1 139 . 13 1 1 A 13 13 ALA N N 13 121.000 119.716 1.284 1
1 140 . 13 1 1 A 14 14 ASP H H 14 7.920 8.224 -0.304 1
1 141 . 13 1 1 A 14 14 ASP HA H 14 4.480 4.628 -0.148 1
1 144 . 13 1 1 A 14 14 ASP CA C 14 57.200 57.577 -0.377 1
1 145 . 13 1 1 A 14 14 ASP CB C 14 39.500 41.280 -1.780 1
1 146 . 13 1 1 A 14 14 ASP N N 14 117.400 118.919 -1.519 1
1 147 . 13 1 1 A 15 15 GLU H H 15 8.210 7.727 0.483 1
1 148 . 13 1 1 A 15 15 GLU HA H 15 4.110 4.083 0.027 1
1 153 . 13 1 1 A 15 15 GLU CA C 15 59.800 59.081 0.719 1
1 154 . 13 1 1 A 15 15 GLU CB C 15 30.100 29.190 0.910 1
1 156 . 13 1 1 A 15 15 GLU N N 15 122.500 119.978 2.522 1
1 157 . 13 1 1 A 16 16 TYR H H 16 9.230 8.290 0.940 1
1 158 . 13 1 1 A 16 16 TYR HA H 16 3.180 4.272 -1.092 1
1 165 . 13 1 1 A 16 16 TYR CA C 16 61.100 61.506 -0.406 1
1 166 . 13 1 1 A 16 16 TYR CB C 16 38.300 38.135 0.165 1
1 169 . 13 1 1 A 16 16 TYR N N 16 119.400 121.245 -1.845 1
1 170 . 13 1 1 A 17 17 PHE H H 17 8.700 8.137 0.563 1
1 171 . 13 1 1 A 17 17 PHE HA H 17 3.480 3.996 -0.516 1
1 178 . 13 1 1 A 17 17 PHE CA C 17 61.600 59.922 1.678 1
1 179 . 13 1 1 A 17 17 PHE CB C 17 39.300 37.833 1.467 1
1 182 . 13 1 1 A 17 17 PHE N N 17 118.400 118.468 -0.068 1
1 183 . 13 1 1 A 18 18 GLU H H 18 8.280 7.816 0.464 1
1 184 . 13 1 1 A 18 18 GLU HA H 18 3.840 3.353 0.487 1
1 189 . 13 1 1 A 18 18 GLU CA C 18 58.800 58.699 0.101 1
1 190 . 13 1 1 A 18 18 GLU CB C 18 29.000 28.776 0.224 1
1 192 . 13 1 1 A 18 18 GLU N N 18 118.500 119.999 -1.499 1
1 193 . 13 1 1 A 19 19 ARG H H 19 8.350 7.405 0.945 1
1 194 . 13 1 1 A 19 19 ARG HA H 19 4.200 4.036 0.164 1
1 202 . 13 1 1 A 19 19 ARG CA C 19 57.300 58.229 -0.929 1
1 203 . 13 1 1 A 19 19 ARG CB C 19 30.900 30.541 0.359 1
1 206 . 13 1 1 A 19 19 ARG N N 19 114.300 119.204 -4.904 1
1 208 . 13 1 1 A 20 20 MET H H 20 7.960 7.910 0.050 1
1 209 . 13 1 1 A 20 20 MET HA H 20 4.610 4.066 0.544 1
1 217 . 13 1 1 A 20 20 MET CA C 20 54.100 57.003 -2.903 1
1 218 . 13 1 1 A 20 20 MET CB C 20 31.800 32.456 -0.656 1
1 221 . 13 1 1 A 20 20 MET N N 20 112.400 117.866 -5.466 1
1 222 . 13 1 1 A 21 21 ILE H H 21 6.970 6.968 0.002 1
1 223 . 13 1 1 A 21 21 ILE HA H 21 4.050 4.228 -0.178 1
1 233 . 13 1 1 A 21 21 ILE CA C 21 59.800 60.281 -0.481 1
1 234 . 13 1 1 A 21 21 ILE CB C 21 35.900 37.862 -1.962 1
1 238 . 13 1 1 A 21 21 ILE N N 21 117.900 116.696 1.204 1
1 239 . 13 1 1 A 22 22 ALA H H 22 7.700 7.386 0.314 1
1 240 . 13 1 1 A 22 22 ALA HA H 22 3.600 3.670 -0.070 1
1 244 . 13 1 1 A 22 22 ALA CA C 22 53.900 50.638 3.262 1
1 245 . 13 1 1 A 22 22 ALA CB C 22 18.000 20.565 -2.565 1
1 246 . 13 1 1 A 22 22 ALA N N 22 123.500 125.066 -1.566 1
1 247 . 13 1 1 A 23 23 GLY H H 23 8.460 8.622 -0.162 1
1 248 . 13 1 1 A 23 23 GLY HA2 H 23 3.960 3.951 0.009 1
1 249 . 13 1 1 A 23 23 GLY HA3 H 23 3.820 3.981 -0.161 1
1 250 . 13 1 1 A 23 23 GLY CA C 23 45.600 47.332 -1.732 1
1 251 . 13 1 1 A 23 23 GLY N N 23 109.600 107.005 2.595 1
1 252 . 13 1 1 A 24 24 ARG H H 24 7.830 8.278 -0.448 1
1 253 . 13 1 1 A 24 24 ARG HA H 24 4.440 4.887 -0.447 1
1 261 . 13 1 1 A 24 24 ARG CA C 24 56.700 55.373 1.327 1
1 262 . 13 1 1 A 24 24 ARG CB C 24 32.400 32.642 -0.242 1
1 265 . 13 1 1 A 24 24 ARG N N 24 118.400 123.978 -5.578 1
1 267 . 13 1 1 A 25 25 TRP H H 25 8.240 8.617 -0.377 1
1 268 . 13 1 1 A 25 25 TRP HA H 25 4.640 4.974 -0.334 1
1 277 . 13 1 1 A 25 25 TRP CA C 25 56.900 56.809 0.091 1
1 278 . 13 1 1 A 25 25 TRP CB C 25 31.400 31.511 -0.111 1
1 284 . 13 1 1 A 25 25 TRP N N 25 121.500 124.074 -2.574 1
1 286 . 13 1 1 A 26 26 LYS H H 26 7.890 6.790 1.100 1
1 287 . 13 1 1 A 26 26 LYS HA H 26 3.910 3.419 0.491 1
1 296 . 13 1 1 A 26 26 LYS CA C 26 56.800 56.750 0.050 1
1 297 . 13 1 1 A 26 26 LYS CB C 26 32.200 30.864 1.336 1
1 301 . 13 1 1 A 26 26 LYS N N 26 122.500 115.234 7.266 1
1 302 . 13 1 1 A 27 27 HIS H H 27 7.840 8.056 -0.216 1
1 303 . 13 1 1 A 27 27 HIS HA H 27 5.230 4.176 1.054 1
1 307 . 13 1 1 A 27 27 HIS CA C 27 53.200 56.315 -3.115 1
1 308 . 13 1 1 A 27 27 HIS CB C 27 28.200 27.688 0.512 1
1 310 . 13 1 1 A 27 27 HIS N N 27 112.700 117.806 -5.106 1
1 311 . 13 1 1 A 28 28 PRO HA H 28 4.120 4.777 -0.657 1
1 318 . 13 1 1 A 28 28 PRO CA C 28 65.400 65.255 0.145 1
1 319 . 13 1 1 A 28 28 PRO CB C 28 32.200 32.348 -0.148 1
1 322 . 13 1 1 A 29 29 ASN H H 29 8.840 8.881 -0.041 1
1 323 . 13 1 1 A 29 29 ASN HA H 29 4.470 4.448 0.022 1
1 328 . 13 1 1 A 29 29 ASN CA C 29 56.100 55.472 0.628 1
1 329 . 13 1 1 A 29 29 ASN CB C 29 37.000 37.159 -0.159 1
1 330 . 13 1 1 A 29 29 ASN N N 29 116.300 114.717 1.583 1
1 332 . 13 1 1 A 30 30 ILE H H 30 7.630 7.900 -0.270 1
1 333 . 13 1 1 A 30 30 ILE HA H 30 3.910 3.698 0.212 1
1 343 . 13 1 1 A 30 30 ILE CA C 30 63.700 64.869 -1.169 1
1 344 . 13 1 1 A 30 30 ILE CB C 30 37.300 37.897 -0.597 1
1 348 . 13 1 1 A 30 30 ILE N N 30 121.500 121.388 0.112 1
1 349 . 13 1 1 A 31 31 VAL H H 31 6.920 8.027 -1.107 1
1 350 . 13 1 1 A 31 31 VAL HA H 31 3.020 3.899 -0.879 1
1 358 . 13 1 1 A 31 31 VAL CA C 31 65.500 65.579 -0.079 1
1 359 . 13 1 1 A 31 31 VAL CB C 31 30.900 31.339 -0.439 1
1 362 . 13 1 1 A 31 31 VAL N N 31 119.900 116.969 2.931 1
1 363 . 13 1 1 A 32 32 ARG H H 32 8.080 8.199 -0.119 1
1 364 . 13 1 1 A 32 32 ARG HA H 32 3.380 3.863 -0.483 1
1 371 . 13 1 1 A 32 32 ARG CA C 32 58.900 59.653 -0.753 1
1 372 . 13 1 1 A 32 32 ARG CB C 32 28.800 29.798 -0.998 1
1 375 . 13 1 1 A 32 32 ARG N N 32 118.900 122.559 -3.659 1
1 376 . 13 1 1 A 33 33 SER H H 33 7.840 7.799 0.041 1
1 377 . 13 1 1 A 33 33 SER HA H 33 4.130 4.094 0.036 1
1 380 . 13 1 1 A 33 33 SER CA C 33 61.900 62.180 -0.280 1
1 381 . 13 1 1 A 33 33 SER CB C 33 62.700 63.134 -0.434 1
1 382 . 13 1 1 A 33 33 SER N N 33 113.400 116.973 -3.573 1
1 383 . 13 1 1 A 34 34 ARG H H 34 7.610 7.859 -0.249 1
1 384 . 13 1 1 A 34 34 ARG HA H 34 4.370 4.525 -0.155 1
1 392 . 13 1 1 A 34 34 ARG CA C 34 58.100 59.105 -1.005 1
1 393 . 13 1 1 A 34 34 ARG CB C 34 29.600 30.753 -1.153 1
1 396 . 13 1 1 A 34 34 ARG N N 34 119.900 121.667 -1.767 1
1 398 . 13 1 1 A 35 35 ILE H H 35 8.070 8.086 -0.016 1
1 399 . 13 1 1 A 35 35 ILE HA H 35 3.470 3.823 -0.353 1
1 409 . 13 1 1 A 35 35 ILE CA C 35 65.800 65.725 0.075 1
1 410 . 13 1 1 A 35 35 ILE CB C 35 38.200 38.007 0.193 1
1 414 . 13 1 1 A 35 35 ILE N N 35 118.600 120.621 -2.021 1
1 415 . 13 1 1 A 36 36 GLU H H 36 8.710 8.422 0.288 1
1 416 . 13 1 1 A 36 36 GLU HA H 36 3.880 4.139 -0.259 1
1 421 . 13 1 1 A 36 36 GLU CA C 36 58.400 59.316 -0.916 1
1 422 . 13 1 1 A 36 36 GLU CB C 36 30.000 29.561 0.439 1
1 424 . 13 1 1 A 36 36 GLU N N 36 116.800 120.505 -3.705 1
1 425 . 13 1 1 A 37 37 LYS H H 37 8.550 7.616 0.934 1
1 426 . 13 1 1 A 37 37 LYS HA H 37 4.300 4.028 0.272 1
1 435 . 13 1 1 A 37 37 LYS CA C 37 57.300 59.458 -2.158 1
1 436 . 13 1 1 A 37 37 LYS CB C 37 33.000 32.237 0.763 1
1 440 . 13 1 1 A 37 37 LYS N N 37 114.300 119.859 -5.559 1
1 441 . 13 1 1 A 38 38 ASP H H 38 7.480 7.716 -0.236 1
1 442 . 13 1 1 A 38 38 ASP HA H 38 4.970 4.465 0.505 1
1 445 . 13 1 1 A 38 38 ASP CA C 38 55.300 57.103 -1.803 1
1 446 . 13 1 1 A 38 38 ASP CB C 38 42.700 40.831 1.869 1
1 447 . 13 1 1 A 38 38 ASP N N 38 113.900 119.293 -5.393 1
1 448 . 13 1 1 A 39 39 ILE H H 39 7.540 7.831 -0.291 1
1 449 . 13 1 1 A 39 39 ILE HA H 39 3.940 3.999 -0.059 1
1 459 . 13 1 1 A 39 39 ILE CA C 39 64.700 63.688 1.012 1
1 460 . 13 1 1 A 39 39 ILE CB C 39 39.000 38.769 0.231 1
1 464 . 13 1 1 A 39 39 ILE N N 39 116.800 118.784 -1.984 1
1 465 . 13 1 1 A 40 40 LYS H H 40 8.840 7.687 1.153 1
1 466 . 13 1 1 A 40 40 LYS HA H 40 3.650 4.714 -1.064 1
1 475 . 13 1 1 A 40 40 LYS CA C 40 50.600 53.929 -3.329 1
1 476 . 13 1 1 A 40 40 LYS CB C 40 30.400 33.095 -2.695 1
1 480 . 13 1 1 A 40 40 LYS N N 40 118.400 121.360 -2.960 1
1 481 . 13 1 1 A 41 41 PRO HA H 41 4.280 4.728 -0.448 1
1 488 . 13 1 1 A 41 41 PRO CA C 41 65.700 64.292 1.408 1
1 489 . 13 1 1 A 41 41 PRO CB C 41 30.700 31.998 -1.298 1
1 492 . 13 1 1 A 42 42 ALA H H 42 6.660 8.241 -1.581 1
1 493 . 13 1 1 A 42 42 ALA HA H 42 4.430 4.577 -0.147 1
1 497 . 13 1 1 A 42 42 ALA CA C 42 53.800 51.863 1.937 1
1 498 . 13 1 1 A 42 42 ALA CB C 42 20.800 20.192 0.608 1
1 499 . 13 1 1 A 42 42 ALA N N 42 115.300 118.921 -3.621 1
1 500 . 13 1 1 A 43 43 ILE H H 43 7.540 7.777 -0.237 1
1 501 . 13 1 1 A 43 43 ILE HA H 43 4.810 4.469 0.341 1
1 511 . 13 1 1 A 43 43 ILE CA C 43 60.600 59.873 0.727 1
1 512 . 13 1 1 A 43 43 ILE CB C 43 41.200 37.555 3.645 1
1 516 . 13 1 1 A 43 43 ILE N N 43 105.000 114.192 -9.192 1
1 517 . 13 1 1 A 44 44 GLY H H 44 8.500 8.397 0.103 1
1 518 . 13 1 1 A 44 44 GLY HA2 H 44 4.170 3.831 0.339 1
1 519 . 13 1 1 A 44 44 GLY HA3 H 44 3.430 3.840 -0.410 1
1 520 . 13 1 1 A 44 44 GLY CA C 44 47.300 47.032 0.268 1
1 521 . 13 1 1 A 44 44 GLY N N 44 109.600 111.995 -2.395 1
1 522 . 13 1 1 A 45 45 SER H H 45 8.120 7.803 0.317 1
1 523 . 13 1 1 A 45 45 SER HA H 45 4.440 4.593 -0.153 1
1 526 . 13 1 1 A 45 45 SER CA C 45 58.600 58.455 0.145 1
1 527 . 13 1 1 A 45 45 SER CB C 45 63.400 63.672 -0.272 1
1 528 . 13 1 1 A 45 45 SER N N 45 110.400 114.229 -3.829 1
1 529 . 13 1 1 A 46 46 LEU H H 46 7.480 7.093 0.387 1
1 530 . 13 1 1 A 46 46 LEU HA H 46 4.180 4.256 -0.076 1
1 540 . 13 1 1 A 46 46 LEU CA C 46 54.800 55.214 -0.414 1
1 541 . 13 1 1 A 46 46 LEU CB C 46 41.700 43.131 -1.431 1
1 545 . 13 1 1 A 46 46 LEU N N 46 122.600 124.194 -1.594 1
1 546 . 13 1 1 A 47 47 LYS H H 47 8.790 8.436 0.354 1
1 547 . 13 1 1 A 47 47 LYS HA H 47 4.460 4.283 0.177 1
1 556 . 13 1 1 A 47 47 LYS CA C 47 56.700 56.425 0.275 1
1 557 . 13 1 1 A 47 47 LYS CB C 47 31.100 33.705 -2.605 1
1 561 . 13 1 1 A 47 47 LYS N N 47 120.800 126.171 -5.371 1
1 562 . 13 1 1 A 48 48 VAL H H 48 8.600 8.829 -0.229 1
1 563 . 13 1 1 A 48 48 VAL HA H 48 3.470 3.714 -0.244 1
1 571 . 13 1 1 A 48 48 VAL CA C 48 66.900 66.711 0.189 1
1 572 . 13 1 1 A 48 48 VAL CB C 48 31.000 31.703 -0.703 1
1 575 . 13 1 1 A 48 48 VAL N N 48 123.000 124.770 -1.770 1
1 576 . 13 1 1 A 49 49 GLU H H 49 9.360 8.225 1.135 1
1 577 . 13 1 1 A 49 49 GLU HA H 49 4.180 4.121 0.059 1
1 582 . 13 1 1 A 49 49 GLU CA C 49 57.600 57.767 -0.167 1
1 583 . 13 1 1 A 49 49 GLU CB C 49 28.500 29.284 -0.784 1
1 585 . 13 1 1 A 49 49 GLU N N 49 115.300 118.350 -3.050 1
1 586 . 13 1 1 A 50 50 ASP H H 50 7.840 7.621 0.219 1
1 587 . 13 1 1 A 50 50 ASP HA H 50 4.840 4.762 0.078 1
1 590 . 13 1 1 A 50 50 ASP CA C 50 53.800 53.458 0.342 1
1 591 . 13 1 1 A 50 50 ASP CB C 50 41.400 40.998 0.402 1
1 592 . 13 1 1 A 50 50 ASP N N 50 118.900 119.445 -0.545 1
1 593 . 13 1 1 A 51 51 VAL H H 51 7.150 7.457 -0.307 1
1 594 . 13 1 1 A 51 51 VAL HA H 51 3.950 4.758 -0.808 1
1 602 . 13 1 1 A 51 51 VAL CA C 51 63.700 61.714 1.986 1
1 603 . 13 1 1 A 51 51 VAL CB C 51 30.900 33.184 -2.284 1
1 606 . 13 1 1 A 51 51 VAL N N 51 119.900 119.905 -0.005 1
1 607 . 13 1 1 A 52 52 LYS H H 52 11.840 8.434 3.406 1
1 608 . 13 1 1 A 52 52 LYS HA H 52 4.980 4.869 0.111 1
1 617 . 13 1 1 A 52 52 LYS CA C 52 52.800 53.258 -0.458 1
1 618 . 13 1 1 A 52 52 LYS CB C 52 33.100 34.462 -1.362 1
1 622 . 13 1 1 A 52 52 LYS N N 52 133.900 127.878 6.022 1
1 623 . 13 1 1 A 53 53 PRO HA H 53 4.370 4.402 -0.032 1
1 630 . 13 1 1 A 53 53 PRO CA C 53 66.600 65.588 1.012 1
1 631 . 13 1 1 A 53 53 PRO CB C 53 31.600 31.948 -0.348 1
1 634 . 13 1 1 A 54 54 ARG H H 54 8.180 8.243 -0.063 1
1 635 . 13 1 1 A 54 54 ARG HA H 54 4.200 4.102 0.098 1
1 643 . 13 1 1 A 54 54 ARG CA C 54 58.300 59.034 -0.734 1
1 644 . 13 1 1 A 54 54 ARG CB C 54 28.700 29.594 -0.894 1
1 647 . 13 1 1 A 54 54 ARG N N 54 113.800 118.323 -4.523 1
1 649 . 13 1 1 A 55 55 HIS H H 55 7.650 7.775 -0.125 1
1 650 . 13 1 1 A 55 55 HIS HA H 55 4.430 4.462 -0.032 1
1 655 . 13 1 1 A 55 55 HIS CA C 55 60.500 60.062 0.438 1
1 656 . 13 1 1 A 55 55 HIS CB C 55 31.400 30.678 0.722 1
1 659 . 13 1 1 A 55 55 HIS N N 55 118.400 117.766 0.634 1
1 660 . 13 1 1 A 56 56 ILE H H 56 7.280 7.687 -0.407 1
1 661 . 13 1 1 A 56 56 ILE HA H 56 3.480 3.610 -0.130 1
1 671 . 13 1 1 A 56 56 ILE CA C 56 61.900 65.692 -3.792 1
1 672 . 13 1 1 A 56 56 ILE CB C 56 33.900 37.873 -3.973 1
1 676 . 13 1 1 A 56 56 ILE N N 56 117.400 120.159 -2.759 1
1 677 . 13 1 1 A 57 57 ASP H H 57 8.010 8.357 -0.347 1
1 678 . 13 1 1 A 57 57 ASP HA H 57 4.220 4.178 0.042 1
1 681 . 13 1 1 A 57 57 ASP CA C 57 57.200 57.709 -0.509 1
1 682 . 13 1 1 A 57 57 ASP CB C 57 40.900 41.343 -0.443 1
1 683 . 13 1 1 A 57 57 ASP N N 57 119.400 121.957 -2.557 1
1 684 . 13 1 1 A 58 58 ASP H H 58 8.000 8.256 -0.256 1
1 685 . 13 1 1 A 58 58 ASP HA H 58 4.380 4.382 -0.002 1
1 688 . 13 1 1 A 58 58 ASP CA C 58 57.600 57.508 0.092 1
1 689 . 13 1 1 A 58 58 ASP CB C 58 39.200 41.790 -2.590 1
1 690 . 13 1 1 A 58 58 ASP N N 58 117.400 119.492 -2.092 1
1 691 . 13 1 1 A 59 59 VAL H H 59 7.800 8.302 -0.502 1
1 692 . 13 1 1 A 59 59 VAL HA H 59 3.620 3.872 -0.252 1
1 700 . 13 1 1 A 59 59 VAL CA C 59 66.200 65.172 1.028 1
1 701 . 13 1 1 A 59 59 VAL CB C 59 31.400 31.557 -0.157 1
1 704 . 13 1 1 A 59 59 VAL N N 59 121.200 118.401 2.799 1
1 705 . 13 1 1 A 60 60 LEU H H 60 8.030 8.031 -0.001 1
1 706 . 13 1 1 A 60 60 LEU HA H 60 3.870 3.918 -0.048 1
1 716 . 13 1 1 A 60 60 LEU CA C 60 58.000 57.905 0.095 1
1 717 . 13 1 1 A 60 60 LEU CB C 60 40.300 40.950 -0.650 1
1 721 . 13 1 1 A 60 60 LEU N N 60 118.900 120.878 -1.978 1
1 722 . 13 1 1 A 61 61 LYS H H 61 8.710 8.693 0.017 1
1 723 . 13 1 1 A 61 61 LYS HA H 61 3.920 4.021 -0.101 1
1 732 . 13 1 1 A 61 61 LYS CA C 61 59.600 59.030 0.570 1
1 733 . 13 1 1 A 61 61 LYS CB C 61 32.500 31.817 0.683 1
1 737 . 13 1 1 A 61 61 LYS N N 61 118.300 118.356 -0.056 1
1 738 . 13 1 1 A 62 62 ALA H H 62 7.590 7.550 0.040 1
1 739 . 13 1 1 A 62 62 ALA HA H 62 4.170 4.035 0.135 1
1 743 . 13 1 1 A 62 62 ALA CA C 62 55.100 55.058 0.042 1
1 744 . 13 1 1 A 62 62 ALA CB C 62 17.900 18.482 -0.582 1
1 745 . 13 1 1 A 62 62 ALA N N 62 121.000 122.070 -1.070 1
1 746 . 13 1 1 A 63 63 VAL H H 63 8.090 8.164 -0.074 1
1 747 . 13 1 1 A 63 63 VAL HA H 63 3.710 3.759 -0.049 1
1 755 . 13 1 1 A 63 63 VAL CA C 63 65.700 65.140 0.560 1
1 756 . 13 1 1 A 63 63 VAL CB C 63 31.700 31.496 0.204 1
1 759 . 13 1 1 A 63 63 VAL N N 63 118.000 115.943 2.057 1
1 760 . 13 1 1 A 64 64 MET H H 64 8.360 7.910 0.450 1
1 761 . 13 1 1 A 64 64 MET HA H 64 4.110 4.392 -0.282 1
1 769 . 13 1 1 A 64 64 MET CA C 64 57.600 57.247 0.353 1
1 770 . 13 1 1 A 64 64 MET CB C 64 31.700 31.657 0.043 1
1 773 . 13 1 1 A 64 64 MET N N 64 119.400 120.016 -0.616 1
1 774 . 13 1 1 A 65 65 LYS H H 65 7.660 7.713 -0.053 1
1 775 . 13 1 1 A 65 65 LYS HA H 65 4.170 4.008 0.162 1
1 784 . 13 1 1 A 65 65 LYS CA C 65 58.100 59.354 -1.254 1
1 785 . 13 1 1 A 65 65 LYS CB C 65 32.500 32.518 -0.018 1
1 789 . 13 1 1 A 65 65 LYS N N 65 118.900 121.455 -2.555 1
1 790 . 13 1 1 A 66 66 ARG H H 66 7.600 8.591 -0.991 1
1 791 . 13 1 1 A 66 66 ARG HA H 66 4.430 4.170 0.260 1
1 799 . 13 1 1 A 66 66 ARG CA C 66 56.600 57.599 -0.999 1
1 800 . 13 1 1 A 66 66 ARG CB C 66 30.400 29.428 0.972 1
1 803 . 13 1 1 A 66 66 ARG N N 66 115.800 118.296 -2.496 1
1 805 . 13 1 1 A 67 67 GLY H H 67 7.830 7.494 0.336 1
1 806 . 13 1 1 A 67 67 GLY HA2 H 67 4.010 4.045 -0.035 1
1 807 . 13 1 1 A 67 67 GLY HA3 H 67 3.980 4.050 -0.070 1
1 808 . 13 1 1 A 67 67 GLY CA C 67 45.700 45.150 0.550 1
1 809 . 13 1 1 A 67 67 GLY N N 67 107.400 108.888 -1.488 1
1 810 . 13 1 1 A 68 68 ALA H H 68 7.730 8.449 -0.719 1
1 811 . 13 1 1 A 68 68 ALA HA H 68 4.980 4.777 0.203 1
1 815 . 13 1 1 A 68 68 ALA CA C 68 49.700 50.042 -0.342 1
1 816 . 13 1 1 A 68 68 ALA CB C 68 18.900 22.034 -3.134 1
1 817 . 13 1 1 A 68 68 ALA N N 68 122.500 124.623 -2.123 1
1 818 . 13 1 1 A 69 69 PRO HA H 69 4.350 4.245 0.105 1
1 825 . 13 1 1 A 69 69 PRO CA C 69 65.400 64.560 0.840 1
1 826 . 13 1 1 A 69 69 PRO CB C 69 31.700 31.999 -0.299 1
1 829 . 13 1 1 A 70 70 SER H H 70 8.430 8.454 -0.024 1
1 830 . 13 1 1 A 70 70 SER HA H 70 4.250 4.187 0.063 1
1 833 . 13 1 1 A 70 70 SER CA C 70 61.000 61.490 -0.490 1
1 834 . 13 1 1 A 70 70 SER CB C 70 61.500 62.851 -1.351 1
1 835 . 13 1 1 A 70 70 SER N N 70 112.200 113.447 -1.247 1
1 836 . 13 1 1 A 71 71 ILE H H 71 7.430 7.899 -0.469 1
1 837 . 13 1 1 A 71 71 ILE HA H 71 3.980 3.719 0.261 1
1 847 . 13 1 1 A 71 71 ILE CA C 71 63.100 64.389 -1.289 1
1 848 . 13 1 1 A 71 71 ILE CB C 71 36.700 36.384 0.316 1
1 852 . 13 1 1 A 71 71 ILE N N 71 122.000 121.625 0.375 1
1 853 . 13 1 1 A 72 72 ALA H H 72 7.780 8.430 -0.650 1
1 854 . 13 1 1 A 72 72 ALA HA H 72 3.910 3.907 0.003 1
1 858 . 13 1 1 A 72 72 ALA CA C 72 55.800 55.401 0.399 1
1 859 . 13 1 1 A 72 72 ALA CB C 72 17.900 18.052 -0.152 1
1 860 . 13 1 1 A 72 72 ALA N N 72 126.100 122.104 3.996 1
1 861 . 13 1 1 A 73 73 ASN H H 73 8.180 8.330 -0.150 1
1 862 . 13 1 1 A 73 73 ASN HA H 73 4.410 4.404 0.006 1
1 867 . 13 1 1 A 73 73 ASN CA C 73 55.900 56.505 -0.605 1
1 868 . 13 1 1 A 73 73 ASN CB C 73 37.800 37.691 0.109 1
1 869 . 13 1 1 A 73 73 ASN N N 73 116.700 117.822 -1.122 1
1 871 . 13 1 1 A 74 74 ASP H H 74 8.120 7.387 0.733 1
1 872 . 13 1 1 A 74 74 ASP HA H 74 4.410 4.672 -0.262 1
1 875 . 13 1 1 A 74 74 ASP CA C 74 57.500 56.876 0.624 1
1 876 . 13 1 1 A 74 74 ASP CB C 74 41.400 41.114 0.286 1
1 877 . 13 1 1 A 74 74 ASP N N 74 120.800 119.104 1.696 1
1 878 . 13 1 1 A 75 75 THR H H 75 8.360 8.372 -0.012 1
1 879 . 13 1 1 A 75 75 THR HA H 75 3.750 3.896 -0.146 1
1 884 . 13 1 1 A 75 75 THR CA C 75 68.800 67.592 1.208 1
1 885 . 13 1 1 A 75 75 THR CB C 75 67.700 68.315 -0.615 1
1 887 . 13 1 1 A 75 75 THR N N 75 116.300 117.890 -1.590 1
1 888 . 13 1 1 A 76 76 LEU H H 76 8.160 8.545 -0.385 1
1 889 . 13 1 1 A 76 76 LEU HA H 76 3.980 4.052 -0.072 1
1 899 . 13 1 1 A 76 76 LEU CA C 76 58.000 58.101 -0.101 1
1 900 . 13 1 1 A 76 76 LEU CB C 76 40.500 41.725 -1.225 1
1 904 . 13 1 1 A 76 76 LEU N N 76 121.000 121.128 -0.128 1
1 905 . 13 1 1 A 77 77 ARG H H 77 7.810 8.147 -0.337 1
1 906 . 13 1 1 A 77 77 ARG HA H 77 3.790 4.051 -0.261 1
1 914 . 13 1 1 A 77 77 ARG CA C 77 60.000 59.862 0.138 1
1 915 . 13 1 1 A 77 77 ARG CB C 77 29.400 29.808 -0.408 1
1 918 . 13 1 1 A 77 77 ARG N N 77 118.400 119.332 -0.932 1
1 920 . 13 1 1 A 78 78 TRP H H 78 7.870 8.707 -0.837 1
1 921 . 13 1 1 A 78 78 TRP HA H 78 4.490 4.445 0.045 1
1 930 . 13 1 1 A 78 78 TRP CA C 78 60.200 59.772 0.428 1
1 931 . 13 1 1 A 78 78 TRP CB C 78 28.700 29.720 -1.020 1
1 937 . 13 1 1 A 78 78 TRP N N 78 118.300 121.582 -3.282 1
1 939 . 13 1 1 A 79 79 LEU H H 79 8.630 9.020 -0.390 1
1 940 . 13 1 1 A 79 79 LEU HA H 79 3.940 3.797 0.143 1
1 950 . 13 1 1 A 79 79 LEU CA C 79 58.200 58.077 0.123 1
1 951 . 13 1 1 A 79 79 LEU CB C 79 42.300 41.641 0.659 1
1 955 . 13 1 1 A 79 79 LEU N N 79 120.200 120.444 -0.244 1
1 956 . 13 1 1 A 80 80 LYS H H 80 8.710 8.551 0.159 1
1 957 . 13 1 1 A 80 80 LYS HA H 80 3.880 4.057 -0.177 1
1 966 . 13 1 1 A 80 80 LYS CA C 80 61.300 59.855 1.445 1
1 967 . 13 1 1 A 80 80 LYS CB C 80 32.300 32.611 -0.311 1
1 971 . 13 1 1 A 80 80 LYS N N 80 118.400 120.411 -2.011 1
1 972 . 13 1 1 A 81 81 ARG H H 81 7.800 8.102 -0.302 1
1 973 . 13 1 1 A 81 81 ARG HA H 81 4.030 4.086 -0.056 1
1 981 . 13 1 1 A 81 81 ARG CA C 81 59.700 58.755 0.945 1
1 982 . 13 1 1 A 81 81 ARG CB C 81 30.400 29.646 0.754 1
1 985 . 13 1 1 A 81 81 ARG N N 81 117.400 118.135 -0.735 1
1 987 . 13 1 1 A 82 82 MET H H 82 8.530 7.900 0.630 1
1 988 . 13 1 1 A 82 82 MET HA H 82 3.000 3.635 -0.635 1
1 996 . 13 1 1 A 82 82 MET CA C 82 58.900 58.242 0.658 1
1 997 . 13 1 1 A 82 82 MET CB C 82 32.300 31.467 0.833 1
1 1000 . 13 1 1 A 82 82 MET N N 82 121.400 119.300 2.100 1
1 1001 . 13 1 1 A 83 83 PHE H H 83 8.340 8.155 0.185 1
1 1002 . 13 1 1 A 83 83 PHE HA H 83 4.340 4.215 0.125 1
1 1010 . 13 1 1 A 83 83 PHE CA C 83 61.900 61.078 0.822 1
1 1011 . 13 1 1 A 83 83 PHE CB C 83 38.800 37.917 0.883 1
1 1015 . 13 1 1 A 83 83 PHE N N 83 116.900 117.935 -1.035 1
1 1016 . 13 1 1 A 84 84 ASN H H 84 8.170 8.331 -0.161 1
1 1017 . 13 1 1 A 84 84 ASN HA H 84 4.670 4.541 0.129 1
1 1022 . 13 1 1 A 84 84 ASN CA C 84 55.800 56.279 -0.479 1
1 1023 . 13 1 1 A 84 84 ASN CB C 84 37.500 39.018 -1.518 1
1 1024 . 13 1 1 A 84 84 ASN N N 84 120.500 118.051 2.449 1
1 1026 . 13 1 1 A 85 85 TYR H H 85 7.910 8.071 -0.161 1
1 1027 . 13 1 1 A 85 85 TYR HA H 85 4.320 4.186 0.134 1
1 1034 . 13 1 1 A 85 85 TYR CA C 85 61.100 61.752 -0.652 1
1 1035 . 13 1 1 A 85 85 TYR CB C 85 37.900 38.688 -0.788 1
1 1038 . 13 1 1 A 85 85 TYR N N 85 124.000 120.967 3.033 1
1 1039 . 13 1 1 A 86 86 ALA H H 86 7.780 7.803 -0.023 1
1 1040 . 13 1 1 A 86 86 ALA HA H 86 3.670 4.047 -0.377 1
1 1044 . 13 1 1 A 86 86 ALA CA C 86 54.800 55.064 -0.264 1
1 1045 . 13 1 1 A 86 86 ALA CB C 86 18.100 18.357 -0.257 1
1 1046 . 13 1 1 A 86 86 ALA N N 86 120.500 121.527 -1.027 1
1 1047 . 13 1 1 A 87 87 ILE H H 87 7.880 8.189 -0.309 1
1 1048 . 13 1 1 A 87 87 ILE HA H 87 4.240 4.032 0.208 1
1 1058 . 13 1 1 A 87 87 ILE CA C 87 63.900 65.808 -1.908 1
1 1059 . 13 1 1 A 87 87 ILE CB C 87 37.900 37.808 0.092 1
1 1063 . 13 1 1 A 87 87 ILE N N 87 120.400 118.940 1.460 1
1 1064 . 13 1 1 A 88 88 LYS H H 88 7.880 8.518 -0.638 1
1 1065 . 13 1 1 A 88 88 LYS HA H 88 3.900 4.000 -0.100 1
1 1074 . 13 1 1 A 88 88 LYS CA C 88 58.900 59.645 -0.745 1
1 1075 . 13 1 1 A 88 88 LYS CB C 88 31.300 32.638 -1.338 1
1 1079 . 13 1 1 A 88 88 LYS N N 88 124.300 121.918 2.382 1
1 1080 . 13 1 1 A 89 89 ARG H H 89 7.350 7.899 -0.549 1
1 1081 . 13 1 1 A 89 89 ARG HA H 89 4.020 4.251 -0.231 1
1 1088 . 13 1 1 A 89 89 ARG CA C 89 54.600 55.307 -0.707 1
1 1089 . 13 1 1 A 89 89 ARG CB C 89 29.100 29.162 -0.062 1
1 1092 . 13 1 1 A 89 89 ARG N N 89 114.300 115.748 -1.448 1
1 1093 . 13 1 1 A 90 90 HIS H H 90 8.030 7.965 0.065 1
1 1094 . 13 1 1 A 90 90 HIS HA H 90 4.330 4.346 -0.016 1
1 1098 . 13 1 1 A 90 90 HIS CA C 90 56.300 56.809 -0.509 1
1 1099 . 13 1 1 A 90 90 HIS CB C 90 25.200 28.166 -2.966 1
1 1101 . 13 1 1 A 90 90 HIS N N 90 113.200 117.598 -4.398 1
1 1102 . 13 1 1 A 91 91 ILE H H 91 8.370 8.227 0.143 1
1 1103 . 13 1 1 A 91 91 ILE HA H 91 3.830 4.134 -0.304 1
1 1113 . 13 1 1 A 91 91 ILE CA C 91 63.600 62.531 1.069 1
1 1114 . 13 1 1 A 91 91 ILE CB C 91 39.300 39.450 -0.150 1
1 1118 . 13 1 1 A 91 91 ILE N N 91 118.400 116.605 1.795 1
1 1119 . 13 1 1 A 92 92 ILE H H 92 6.860 7.582 -0.722 1
1 1120 . 13 1 1 A 92 92 ILE HA H 92 4.570 4.720 -0.150 1
1 1130 . 13 1 1 A 92 92 ILE CA C 92 58.800 58.561 0.239 1
1 1131 . 13 1 1 A 92 92 ILE CB C 92 42.700 40.584 2.116 1
1 1135 . 13 1 1 A 92 92 ILE N N 92 108.600 118.132 -9.532 1
1 1136 . 13 1 1 A 93 93 GLU H H 93 8.690 8.730 -0.040 1
1 1137 . 13 1 1 A 93 93 GLU HA H 93 4.470 4.598 -0.128 1
1 1142 . 13 1 1 A 93 93 GLU CA C 93 56.400 56.805 -0.405 1
1 1143 . 13 1 1 A 93 93 GLU CB C 93 31.200 30.679 0.521 1
1 1145 . 13 1 1 A 93 93 GLU N N 93 116.800 120.039 -3.239 1
1 1146 . 13 1 1 A 94 94 TYR H H 94 7.420 7.419 0.001 1
1 1147 . 13 1 1 A 94 94 TYR HA H 94 4.710 4.902 -0.192 1
1 1154 . 13 1 1 A 94 94 TYR CA C 94 55.800 56.210 -0.410 1
1 1155 . 13 1 1 A 94 94 TYR CB C 94 40.600 39.842 0.758 1
1 1158 . 13 1 1 A 94 94 TYR N N 94 117.900 118.064 -0.164 1
1 1159 . 13 1 1 A 95 95 ASN H H 95 8.960 8.653 0.307 1
1 1160 . 13 1 1 A 95 95 ASN HA H 95 4.550 5.046 -0.496 1
1 1165 . 13 1 1 A 95 95 ASN CA C 95 49.700 50.108 -0.408 1
1 1166 . 13 1 1 A 95 95 ASN CB C 95 39.200 39.878 -0.678 1
1 1167 . 13 1 1 A 95 95 ASN N N 95 122.500 119.069 3.431 1
1 1169 . 13 1 1 A 96 96 PRO HA H 96 4.300 4.491 -0.191 1
1 1176 . 13 1 1 A 96 96 PRO CA C 96 64.000 64.334 -0.334 1
1 1177 . 13 1 1 A 96 96 PRO CB C 96 31.100 31.712 -0.612 1
1 1180 . 13 1 1 A 97 97 ALA H H 97 8.090 8.255 -0.165 1
1 1181 . 13 1 1 A 97 97 ALA HA H 97 4.540 4.555 -0.015 1
1 1185 . 13 1 1 A 97 97 ALA CA C 97 51.200 54.280 -3.080 1
1 1186 . 13 1 1 A 97 97 ALA CB C 97 18.900 18.524 0.376 1
1 1187 . 13 1 1 A 97 97 ALA N N 97 118.400 119.920 -1.520 1
1 1188 . 13 1 1 A 98 98 ALA H H 98 7.330 7.669 -0.339 1
1 1189 . 13 1 1 A 98 98 ALA HA H 98 3.990 4.262 -0.272 1
1 1193 . 13 1 1 A 98 98 ALA CA C 98 54.700 53.600 1.100 1
1 1194 . 13 1 1 A 98 98 ALA CB C 98 18.900 18.330 0.570 1
1 1195 . 13 1 1 A 98 98 ALA N N 98 120.500 119.467 1.033 1
1 1196 . 13 1 1 A 99 99 ALA H H 99 8.020 7.389 0.631 1
1 1197 . 13 1 1 A 99 99 ALA HA H 99 4.180 4.185 -0.005 1
1 1201 . 13 1 1 A 99 99 ALA CA C 99 52.500 52.341 0.159 1
1 1202 . 13 1 1 A 99 99 ALA CB C 99 18.200 19.132 -0.932 1
1 1203 . 13 1 1 A 99 99 ALA N N 99 117.400 119.604 -2.204 1
1 1204 . 13 1 1 A 100 100 PHE H H 100 7.320 7.394 -0.074 1
1 1205 . 13 1 1 A 100 100 PHE HA H 100 4.360 5.173 -0.813 1
1 1210 . 13 1 1 A 100 100 PHE CA C 100 57.700 56.188 1.512 1
1 1211 . 13 1 1 A 100 100 PHE CB C 100 40.500 41.554 -1.054 1
1 1213 . 13 1 1 A 100 100 PHE N N 100 117.400 116.982 0.418 1
1 1214 . 13 1 1 A 101 101 ASP H H 101 8.520 8.975 -0.455 1
1 1215 . 13 1 1 A 101 101 ASP HA H 101 4.910 5.020 -0.110 1
1 1218 . 13 1 1 A 101 101 ASP CA C 101 51.400 50.752 0.648 1
1 1219 . 13 1 1 A 101 101 ASP CB C 101 41.400 41.920 -0.520 1
1 1220 . 13 1 1 A 101 101 ASP N N 101 122.600 125.353 -2.753 1
1 1221 . 13 1 1 A 102 102 PRO HA H 102 4.350 4.738 -0.388 1
1 1228 . 13 1 1 A 102 102 PRO CA C 102 63.400 62.158 1.242 1
1 1229 . 13 1 1 A 102 102 PRO CB C 102 31.900 33.322 -1.422 1
1 1232 . 13 1 1 A 103 103 GLY H H 103 8.440 8.294 0.146 1
1 1233 . 13 1 1 A 103 103 GLY HA2 H 103 3.890 4.141 -0.251 1
1 1234 . 13 1 1 A 103 103 GLY HA3 H 103 3.860 4.143 -0.283 1
1 1235 . 13 1 1 A 103 103 GLY CA C 103 45.100 44.960 0.140 1
1 1236 . 13 1 1 A 103 103 GLY N N 103 108.300 106.776 1.524 1
1 1237 . 13 1 1 A 104 104 ASP H H 104 8.100 8.654 -0.554 1
1 1238 . 13 1 1 A 104 104 ASP HA H 104 4.620 5.369 -0.749 1
1 1241 . 13 1 1 A 104 104 ASP CA C 104 53.900 53.553 0.347 1
1 1242 . 13 1 1 A 104 104 ASP CB C 104 40.700 45.034 -4.334 1
1 1243 . 13 1 1 A 104 104 ASP N N 104 120.100 122.312 -2.212 1
1 1244 . 13 1 1 A 105 105 ALA H H 105 8.360 8.668 -0.308 1
1 1245 . 13 1 1 A 105 105 ALA HA H 105 4.270 4.569 -0.299 1
1 1249 . 13 1 1 A 105 105 ALA CA C 105 52.900 51.726 1.174 1
1 1250 . 13 1 1 A 105 105 ALA CB C 105 18.800 18.849 -0.049 1
1 1251 . 13 1 1 A 105 105 ALA N N 105 124.600 126.810 -2.210 1
1 1252 . 13 1 1 A 106 106 GLY H H 106 8.470 8.571 -0.101 1
1 1253 . 13 1 1 A 106 106 GLY HA2 H 106 3.930 4.134 -0.204 1
1 1254 . 13 1 1 A 106 106 GLY HA3 H 106 3.910 4.135 -0.225 1
1 1255 . 13 1 1 A 106 106 GLY CA C 106 45.400 44.658 0.742 1
1 1256 . 13 1 1 A 106 106 GLY N N 106 107.500 111.263 -3.763 1
1 1257 . 13 1 1 A 107 107 GLY H H 107 8.170 8.671 -0.501 1
1 1258 . 13 1 1 A 107 107 GLY HA2 H 107 3.950 3.979 -0.029 1
1 1259 . 13 1 1 A 107 107 GLY HA3 H 107 3.940 3.984 -0.044 1
1 1260 . 13 1 1 A 107 107 GLY CA C 107 45.300 46.594 -1.294 1
1 1261 . 13 1 1 A 107 107 GLY N N 107 108.600 108.394 0.206 1
1 1262 . 13 1 1 A 108 108 LYS H H 108 8.160 8.022 0.138 1
1 1263 . 13 1 1 A 108 108 LYS HA H 108 4.260 4.127 0.133 1
1 1272 . 13 1 1 A 108 108 LYS CA C 108 56.500 58.753 -2.253 1
1 1273 . 13 1 1 A 108 108 LYS CB C 108 32.800 33.024 -0.224 1
1 1277 . 13 1 1 A 108 108 LYS N N 108 120.500 120.099 0.401 1
1 1278 . 13 1 1 A 109 109 LEU H H 109 8.220 8.039 0.181 1
1 1279 . 13 1 1 A 109 109 LEU HA H 109 4.260 4.098 0.162 1
1 1289 . 13 1 1 A 109 109 LEU CA C 109 55.000 55.765 -0.765 1
1 1290 . 13 1 1 A 109 109 LEU CB C 109 41.900 40.559 1.341 1
1 1294 . 13 1 1 A 109 109 LEU N N 109 122.200 120.441 1.759 1
1 1295 . 13 1 1 A 110 110 GLU H H 110 8.160 8.238 -0.078 1
1 1296 . 13 1 1 A 110 110 GLU HA H 110 4.190 4.464 -0.274 1
1 1301 . 13 1 1 A 110 110 GLU CA C 110 56.000 57.302 -1.302 1
1 1302 . 13 1 1 A 110 110 GLU CB C 110 29.900 29.941 -0.041 1
1 1304 . 13 1 1 A 110 110 GLU N N 110 121.000 125.120 -4.120 1
1 1305 . 13 1 1 A 111 111 HIS H H 111 8.460 7.928 0.532 1
1 1306 . 13 1 1 A 111 111 HIS HA H 111 4.630 4.611 0.019 1
1 1309 . 13 1 1 A 111 111 HIS CA C 111 54.900 55.626 -0.726 1
1 1310 . 13 1 1 A 111 111 HIS CB C 111 28.700 29.315 -0.615 1
1 1311 . 13 1 1 A 111 111 HIS N N 111 118.900 119.263 -0.363 1
1 1312 . 13 1 1 A 112 112 HIS H H 112 8.540 8.084 0.456 1
1 1313 . 13 1 1 A 112 112 HIS HA H 112 4.640 4.558 0.082 1
1 1316 . 13 1 1 A 112 112 HIS CA C 112 55.100 55.339 -0.239 1
1 1317 . 13 1 1 A 112 112 HIS CB C 112 28.900 31.838 -2.938 1
1 1318 . 13 1 1 A 112 112 HIS N N 112 119.100 124.618 -5.518 1
1 1319 . 13 1 1 A 113 113 HIS H H 113 8.630 7.568 1.062 1
1 1320 . 13 1 1 A 113 113 HIS HA H 113 4.670 4.920 -0.250 1
1 1323 . 13 1 1 A 113 113 HIS CA C 113 55.200 54.529 0.671 1
1 1324 . 13 1 1 A 113 113 HIS CB C 113 28.900 33.758 -4.858 1
1 1325 . 13 1 1 A 113 113 HIS N N 113 119.400 116.848 2.552 1
1 1326 . 13 1 1 A 114 114 HIS H H 114 8.670 8.926 -0.256 1
1 1327 . 13 1 1 A 114 114 HIS HA H 114 4.670 4.951 -0.281 1
1 1330 . 13 1 1 A 114 114 HIS CA C 114 55.200 54.412 0.788 1
1 1331 . 13 1 1 A 114 114 HIS CB C 114 29.100 33.599 -4.499 1
1 1332 . 13 1 1 A 114 114 HIS N N 114 120.400 117.533 2.867 1
1 1333 . 13 1 1 A 115 115 HIS H H 115 8.560 8.431 0.129 1
1 1334 . 13 1 1 A 115 115 HIS HA H 115 4.660 4.847 -0.187 1
1 1337 . 13 1 1 A 115 115 HIS CA C 115 55.300 54.774 0.526 1
1 1338 . 13 1 1 A 115 115 HIS CB C 115 29.300 29.279 0.021 1
1 1339 . 13 1 1 A 115 115 HIS N N 115 120.600 119.345 1.255 1
1 5 . 14 1 1 A 2 2 ALA H H 2 8.190 8.776 -0.586 1
1 6 . 14 1 1 A 2 2 ALA HA H 2 4.510 4.196 0.314 1
1 10 . 14 1 1 A 2 2 ALA CA C 2 51.900 51.488 0.412 1
1 11 . 14 1 1 A 2 2 ALA CB C 2 19.500 19.439 0.061 1
1 12 . 14 1 1 A 2 2 ALA N N 2 124.100 128.753 -4.653 1
1 13 . 14 1 1 A 3 3 GLU H H 3 8.740 9.068 -0.328 1
1 14 . 14 1 1 A 3 3 GLU HA H 3 4.380 4.326 0.054 1
1 19 . 14 1 1 A 3 3 GLU CA C 3 56.000 58.449 -2.449 1
1 20 . 14 1 1 A 3 3 GLU CB C 3 29.900 30.441 -0.541 1
1 22 . 14 1 1 A 3 3 GLU N N 3 120.700 122.080 -1.380 1
1 23 . 14 1 1 A 4 4 LYS H H 4 8.580 7.826 0.754 1
1 24 . 14 1 1 A 4 4 LYS HA H 4 4.280 4.497 -0.217 1
1 33 . 14 1 1 A 4 4 LYS CA C 4 56.600 57.150 -0.550 1
1 34 . 14 1 1 A 4 4 LYS CB C 4 32.600 34.512 -1.912 1
1 38 . 14 1 1 A 4 4 LYS N N 4 122.500 115.056 7.444 1
1 39 . 14 1 1 A 5 5 ASN H H 5 8.560 7.977 0.583 1
1 40 . 14 1 1 A 5 5 ASN HA H 5 4.700 4.948 -0.248 1
1 45 . 14 1 1 A 5 5 ASN CA C 5 53.200 51.921 1.279 1
1 46 . 14 1 1 A 5 5 ASN CB C 5 38.900 40.575 -1.675 1
1 47 . 14 1 1 A 5 5 ASN N N 5 119.500 119.432 0.068 1
1 49 . 14 1 1 A 6 6 ALA H H 6 8.210 8.267 -0.057 1
1 50 . 14 1 1 A 6 6 ALA HA H 6 4.520 4.013 0.507 1
1 54 . 14 1 1 A 6 6 ALA CA C 6 51.800 52.854 -1.054 1
1 55 . 14 1 1 A 6 6 ALA CB C 6 19.600 18.967 0.633 1
1 56 . 14 1 1 A 6 6 ALA N N 6 124.100 123.849 0.251 1
1 57 . 14 1 1 A 7 7 TYR H H 7 8.740 8.093 0.647 1
1 58 . 14 1 1 A 7 7 TYR HA H 7 4.700 4.898 -0.198 1
1 65 . 14 1 1 A 7 7 TYR CA C 7 58.900 56.625 2.275 1
1 66 . 14 1 1 A 7 7 TYR CB C 7 40.300 40.444 -0.144 1
1 69 . 14 1 1 A 7 7 TYR N N 7 121.400 122.538 -1.138 1
1 70 . 14 1 1 A 8 8 THR H H 8 8.170 8.986 -0.816 1
1 71 . 14 1 1 A 8 8 THR HA H 8 5.220 4.688 0.532 1
1 76 . 14 1 1 A 8 8 THR CA C 8 59.800 60.658 -0.858 1
1 77 . 14 1 1 A 8 8 THR CB C 8 71.600 71.482 0.118 1
1 79 . 14 1 1 A 8 8 THR N N 8 113.700 113.686 0.014 1
1 80 . 14 1 1 A 9 9 VAL H H 9 8.990 9.105 -0.115 1
1 81 . 14 1 1 A 9 9 VAL HA H 9 3.370 3.956 -0.586 1
1 89 . 14 1 1 A 9 9 VAL CA C 9 66.700 64.551 2.149 1
1 90 . 14 1 1 A 9 9 VAL CB C 9 30.200 31.620 -1.420 1
1 93 . 14 1 1 A 9 9 VAL N N 9 121.400 122.254 -0.854 1
1 94 . 14 1 1 A 10 10 ALA H H 10 9.340 7.824 1.516 1
1 95 . 14 1 1 A 10 10 ALA HA H 10 3.720 3.973 -0.253 1
1 99 . 14 1 1 A 10 10 ALA CA C 10 55.800 55.761 0.039 1
1 100 . 14 1 1 A 10 10 ALA CB C 10 18.200 18.307 -0.107 1
1 101 . 14 1 1 A 10 10 ALA N N 10 122.000 124.167 -2.167 1
1 102 . 14 1 1 A 11 11 GLN H H 11 7.330 8.357 -1.027 1
1 103 . 14 1 1 A 11 11 GLN HA H 11 4.050 3.966 0.084 1
1 110 . 14 1 1 A 11 11 GLN CA C 11 58.400 58.769 -0.369 1
1 111 . 14 1 1 A 11 11 GLN CB C 11 28.700 28.424 0.276 1
1 113 . 14 1 1 A 11 11 GLN N N 11 115.300 117.154 -1.854 1
1 115 . 14 1 1 A 12 12 LEU H H 12 8.510 8.182 0.328 1
1 116 . 14 1 1 A 12 12 LEU HA H 12 4.200 4.335 -0.135 1
1 126 . 14 1 1 A 12 12 LEU CA C 12 57.600 58.022 -0.422 1
1 127 . 14 1 1 A 12 12 LEU CB C 12 41.700 41.578 0.122 1
1 131 . 14 1 1 A 12 12 LEU N N 12 121.500 122.149 -0.649 1
1 132 . 14 1 1 A 13 13 ALA H H 13 9.160 8.645 0.515 1
1 133 . 14 1 1 A 13 13 ALA HA H 13 3.990 3.928 0.062 1
1 137 . 14 1 1 A 13 13 ALA CA C 13 55.400 55.410 -0.010 1
1 138 . 14 1 1 A 13 13 ALA CB C 13 17.700 16.552 1.148 1
1 139 . 14 1 1 A 13 13 ALA N N 13 121.000 120.835 0.165 1
1 140 . 14 1 1 A 14 14 ASP H H 14 7.920 8.416 -0.496 1
1 141 . 14 1 1 A 14 14 ASP HA H 14 4.480 4.342 0.138 1
1 144 . 14 1 1 A 14 14 ASP CA C 14 57.200 57.906 -0.706 1
1 145 . 14 1 1 A 14 14 ASP CB C 14 39.500 41.842 -2.342 1
1 146 . 14 1 1 A 14 14 ASP N N 14 117.400 118.486 -1.086 1
1 147 . 14 1 1 A 15 15 GLU H H 15 8.210 8.231 -0.021 1
1 148 . 14 1 1 A 15 15 GLU HA H 15 4.110 3.964 0.146 1
1 153 . 14 1 1 A 15 15 GLU CA C 15 59.800 59.402 0.398 1
1 154 . 14 1 1 A 15 15 GLU CB C 15 30.100 29.551 0.549 1
1 156 . 14 1 1 A 15 15 GLU N N 15 122.500 119.171 3.329 1
1 157 . 14 1 1 A 16 16 TYR H H 16 9.230 8.243 0.987 1
1 158 . 14 1 1 A 16 16 TYR HA H 16 3.180 4.146 -0.966 1
1 165 . 14 1 1 A 16 16 TYR CA C 16 61.100 61.498 -0.398 1
1 166 . 14 1 1 A 16 16 TYR CB C 16 38.300 38.276 0.024 1
1 169 . 14 1 1 A 16 16 TYR N N 16 119.400 120.785 -1.385 1
1 170 . 14 1 1 A 17 17 PHE H H 17 8.700 8.565 0.135 1
1 171 . 14 1 1 A 17 17 PHE HA H 17 3.480 3.909 -0.429 1
1 178 . 14 1 1 A 17 17 PHE CA C 17 61.600 61.169 0.431 1
1 179 . 14 1 1 A 17 17 PHE CB C 17 39.300 39.051 0.249 1
1 182 . 14 1 1 A 17 17 PHE N N 17 118.400 120.832 -2.432 1
1 183 . 14 1 1 A 18 18 GLU H H 18 8.280 8.196 0.084 1
1 184 . 14 1 1 A 18 18 GLU HA H 18 3.840 3.820 0.020 1
1 189 . 14 1 1 A 18 18 GLU CA C 18 58.800 59.102 -0.302 1
1 190 . 14 1 1 A 18 18 GLU CB C 18 29.000 29.015 -0.015 1
1 192 . 14 1 1 A 18 18 GLU N N 18 118.500 118.497 0.003 1
1 193 . 14 1 1 A 19 19 ARG H H 19 8.350 7.402 0.948 1
1 194 . 14 1 1 A 19 19 ARG HA H 19 4.200 4.069 0.131 1
1 202 . 14 1 1 A 19 19 ARG CA C 19 57.300 57.541 -0.241 1
1 203 . 14 1 1 A 19 19 ARG CB C 19 30.900 30.679 0.221 1
1 206 . 14 1 1 A 19 19 ARG N N 19 114.300 118.204 -3.904 1
1 208 . 14 1 1 A 20 20 MET H H 20 7.960 7.291 0.669 1
1 209 . 14 1 1 A 20 20 MET HA H 20 4.610 4.411 0.199 1
1 217 . 14 1 1 A 20 20 MET CA C 20 54.100 55.689 -1.589 1
1 218 . 14 1 1 A 20 20 MET CB C 20 31.800 34.183 -2.383 1
1 221 . 14 1 1 A 20 20 MET N N 20 112.400 115.705 -3.305 1
1 222 . 14 1 1 A 21 21 ILE H H 21 6.970 7.784 -0.814 1
1 223 . 14 1 1 A 21 21 ILE HA H 21 4.050 3.964 0.086 1
1 233 . 14 1 1 A 21 21 ILE CA C 21 59.800 59.966 -0.166 1
1 234 . 14 1 1 A 21 21 ILE CB C 21 35.900 34.816 1.084 1
1 238 . 14 1 1 A 21 21 ILE N N 21 117.900 118.520 -0.620 1
1 239 . 14 1 1 A 22 22 ALA H H 22 7.700 8.068 -0.368 1
1 240 . 14 1 1 A 22 22 ALA HA H 22 3.600 4.311 -0.711 1
1 244 . 14 1 1 A 22 22 ALA CA C 22 53.900 51.142 2.758 1
1 245 . 14 1 1 A 22 22 ALA CB C 22 18.000 20.665 -2.665 1
1 246 . 14 1 1 A 22 22 ALA N N 22 123.500 126.181 -2.681 1
1 247 . 14 1 1 A 23 23 GLY H H 23 8.460 8.136 0.324 1
1 248 . 14 1 1 A 23 23 GLY HA2 H 23 3.960 4.093 -0.133 1
1 249 . 14 1 1 A 23 23 GLY HA3 H 23 3.820 4.117 -0.297 1
1 250 . 14 1 1 A 23 23 GLY CA C 23 45.600 44.960 0.640 1
1 251 . 14 1 1 A 23 23 GLY N N 23 109.600 107.830 1.770 1
1 252 . 14 1 1 A 24 24 ARG H H 24 7.830 8.568 -0.738 1
1 253 . 14 1 1 A 24 24 ARG HA H 24 4.440 4.578 -0.138 1
1 261 . 14 1 1 A 24 24 ARG CA C 24 56.700 54.829 1.871 1
1 262 . 14 1 1 A 24 24 ARG CB C 24 32.400 30.816 1.584 1
1 265 . 14 1 1 A 24 24 ARG N N 24 118.400 123.737 -5.337 1
1 267 . 14 1 1 A 25 25 TRP H H 25 8.240 8.804 -0.564 1
1 268 . 14 1 1 A 25 25 TRP HA H 25 4.640 4.830 -0.190 1
1 277 . 14 1 1 A 25 25 TRP CA C 25 56.900 57.738 -0.838 1
1 278 . 14 1 1 A 25 25 TRP CB C 25 31.400 31.118 0.282 1
1 284 . 14 1 1 A 25 25 TRP N N 25 121.500 125.191 -3.691 1
1 286 . 14 1 1 A 26 26 LYS H H 26 7.890 6.867 1.023 1
1 287 . 14 1 1 A 26 26 LYS HA H 26 3.910 3.549 0.361 1
1 296 . 14 1 1 A 26 26 LYS CA C 26 56.800 57.046 -0.246 1
1 297 . 14 1 1 A 26 26 LYS CB C 26 32.200 31.953 0.247 1
1 301 . 14 1 1 A 26 26 LYS N N 26 122.500 118.683 3.817 1
1 302 . 14 1 1 A 27 27 HIS H H 27 7.840 8.583 -0.743 1
1 303 . 14 1 1 A 27 27 HIS HA H 27 5.230 4.256 0.974 1
1 307 . 14 1 1 A 27 27 HIS CA C 27 53.200 56.819 -3.619 1
1 308 . 14 1 1 A 27 27 HIS CB C 27 28.200 28.127 0.073 1
1 310 . 14 1 1 A 27 27 HIS N N 27 112.700 123.563 -10.863 1
1 311 . 14 1 1 A 28 28 PRO HA H 28 4.120 4.701 -0.581 1
1 318 . 14 1 1 A 28 28 PRO CA C 28 65.400 65.874 -0.474 1
1 319 . 14 1 1 A 28 28 PRO CB C 28 32.200 32.179 0.021 1
1 322 . 14 1 1 A 29 29 ASN H H 29 8.840 8.355 0.485 1
1 323 . 14 1 1 A 29 29 ASN HA H 29 4.470 4.424 0.046 1
1 328 . 14 1 1 A 29 29 ASN CA C 29 56.100 55.872 0.228 1
1 329 . 14 1 1 A 29 29 ASN CB C 29 37.000 39.466 -2.466 1
1 330 . 14 1 1 A 29 29 ASN N N 29 116.300 115.347 0.953 1
1 332 . 14 1 1 A 30 30 ILE H H 30 7.630 7.275 0.355 1
1 333 . 14 1 1 A 30 30 ILE HA H 30 3.910 3.586 0.324 1
1 343 . 14 1 1 A 30 30 ILE CA C 30 63.700 65.265 -1.565 1
1 344 . 14 1 1 A 30 30 ILE CB C 30 37.300 38.074 -0.774 1
1 348 . 14 1 1 A 30 30 ILE N N 30 121.500 119.546 1.954 1
1 349 . 14 1 1 A 31 31 VAL H H 31 6.920 7.789 -0.869 1
1 350 . 14 1 1 A 31 31 VAL HA H 31 3.020 3.674 -0.654 1
1 358 . 14 1 1 A 31 31 VAL CA C 31 65.500 64.559 0.941 1
1 359 . 14 1 1 A 31 31 VAL CB C 31 30.900 31.579 -0.679 1
1 362 . 14 1 1 A 31 31 VAL N N 31 119.900 121.438 -1.538 1
1 363 . 14 1 1 A 32 32 ARG H H 32 8.080 8.668 -0.588 1
1 364 . 14 1 1 A 32 32 ARG HA H 32 3.380 3.840 -0.460 1
1 371 . 14 1 1 A 32 32 ARG CA C 32 58.900 59.866 -0.966 1
1 372 . 14 1 1 A 32 32 ARG CB C 32 28.800 29.976 -1.176 1
1 375 . 14 1 1 A 32 32 ARG N N 32 118.900 123.055 -4.155 1
1 376 . 14 1 1 A 33 33 SER H H 33 7.840 8.205 -0.365 1
1 377 . 14 1 1 A 33 33 SER HA H 33 4.130 4.017 0.113 1
1 380 . 14 1 1 A 33 33 SER CA C 33 61.900 61.623 0.277 1
1 381 . 14 1 1 A 33 33 SER CB C 33 62.700 62.907 -0.207 1
1 382 . 14 1 1 A 33 33 SER N N 33 113.400 114.876 -1.476 1
1 383 . 14 1 1 A 34 34 ARG H H 34 7.610 7.847 -0.237 1
1 384 . 14 1 1 A 34 34 ARG HA H 34 4.370 4.101 0.269 1
1 392 . 14 1 1 A 34 34 ARG CA C 34 58.100 59.010 -0.910 1
1 393 . 14 1 1 A 34 34 ARG CB C 34 29.600 29.731 -0.131 1
1 396 . 14 1 1 A 34 34 ARG N N 34 119.900 121.290 -1.390 1
1 398 . 14 1 1 A 35 35 ILE H H 35 8.070 7.598 0.472 1
1 399 . 14 1 1 A 35 35 ILE HA H 35 3.470 3.674 -0.204 1
1 409 . 14 1 1 A 35 35 ILE CA C 35 65.800 65.142 0.658 1
1 410 . 14 1 1 A 35 35 ILE CB C 35 38.200 37.374 0.826 1
1 414 . 14 1 1 A 35 35 ILE N N 35 118.600 120.554 -1.954 1
1 415 . 14 1 1 A 36 36 GLU H H 36 8.710 8.457 0.253 1
1 416 . 14 1 1 A 36 36 GLU HA H 36 3.880 4.095 -0.215 1
1 421 . 14 1 1 A 36 36 GLU CA C 36 58.400 58.884 -0.484 1
1 422 . 14 1 1 A 36 36 GLU CB C 36 30.000 29.906 0.094 1
1 424 . 14 1 1 A 36 36 GLU N N 36 116.800 119.148 -2.348 1
1 425 . 14 1 1 A 37 37 LYS H H 37 8.550 7.952 0.598 1
1 426 . 14 1 1 A 37 37 LYS HA H 37 4.300 4.406 -0.106 1
1 435 . 14 1 1 A 37 37 LYS CA C 37 57.300 57.798 -0.498 1
1 436 . 14 1 1 A 37 37 LYS CB C 37 33.000 33.859 -0.859 1
1 440 . 14 1 1 A 37 37 LYS N N 37 114.300 120.208 -5.908 1
1 441 . 14 1 1 A 38 38 ASP H H 38 7.480 7.951 -0.471 1
1 442 . 14 1 1 A 38 38 ASP HA H 38 4.970 4.501 0.469 1
1 445 . 14 1 1 A 38 38 ASP CA C 38 55.300 56.777 -1.477 1
1 446 . 14 1 1 A 38 38 ASP CB C 38 42.700 40.977 1.723 1
1 447 . 14 1 1 A 38 38 ASP N N 38 113.900 119.687 -5.787 1
1 448 . 14 1 1 A 39 39 ILE H H 39 7.540 8.383 -0.843 1
1 449 . 14 1 1 A 39 39 ILE HA H 39 3.940 3.997 -0.057 1
1 459 . 14 1 1 A 39 39 ILE CA C 39 64.700 64.017 0.683 1
1 460 . 14 1 1 A 39 39 ILE CB C 39 39.000 38.751 0.249 1
1 464 . 14 1 1 A 39 39 ILE N N 39 116.800 118.210 -1.410 1
1 465 . 14 1 1 A 40 40 LYS H H 40 8.840 7.789 1.051 1
1 466 . 14 1 1 A 40 40 LYS HA H 40 3.650 4.773 -1.123 1
1 475 . 14 1 1 A 40 40 LYS CA C 40 50.600 53.316 -2.716 1
1 476 . 14 1 1 A 40 40 LYS CB C 40 30.400 33.319 -2.919 1
1 480 . 14 1 1 A 40 40 LYS N N 40 118.400 121.627 -3.227 1
1 481 . 14 1 1 A 41 41 PRO HA H 41 4.280 4.432 -0.152 1
1 488 . 14 1 1 A 41 41 PRO CA C 41 65.700 65.369 0.331 1
1 489 . 14 1 1 A 41 41 PRO CB C 41 30.700 32.069 -1.369 1
1 492 . 14 1 1 A 42 42 ALA H H 42 6.660 8.221 -1.561 1
1 493 . 14 1 1 A 42 42 ALA HA H 42 4.430 4.577 -0.147 1
1 497 . 14 1 1 A 42 42 ALA CA C 42 53.800 51.857 1.943 1
1 498 . 14 1 1 A 42 42 ALA CB C 42 20.800 20.771 0.029 1
1 499 . 14 1 1 A 42 42 ALA N N 42 115.300 117.948 -2.648 1
1 500 . 14 1 1 A 43 43 ILE H H 43 7.540 7.721 -0.181 1
1 501 . 14 1 1 A 43 43 ILE HA H 43 4.810 4.552 0.258 1
1 511 . 14 1 1 A 43 43 ILE CA C 43 60.600 59.989 0.611 1
1 512 . 14 1 1 A 43 43 ILE CB C 43 41.200 38.763 2.437 1
1 516 . 14 1 1 A 43 43 ILE N N 43 105.000 115.071 -10.071 1
1 517 . 14 1 1 A 44 44 GLY H H 44 8.500 8.430 0.070 1
1 518 . 14 1 1 A 44 44 GLY HA2 H 44 4.170 4.048 0.122 1
1 519 . 14 1 1 A 44 44 GLY HA3 H 44 3.430 4.050 -0.620 1
1 520 . 14 1 1 A 44 44 GLY CA C 44 47.300 46.396 0.904 1
1 521 . 14 1 1 A 44 44 GLY N N 44 109.600 112.644 -3.044 1
1 522 . 14 1 1 A 45 45 SER H H 45 8.120 8.008 0.112 1
1 523 . 14 1 1 A 45 45 SER HA H 45 4.440 4.380 0.060 1
1 526 . 14 1 1 A 45 45 SER CA C 45 58.600 58.920 -0.320 1
1 527 . 14 1 1 A 45 45 SER CB C 45 63.400 63.617 -0.217 1
1 528 . 14 1 1 A 45 45 SER N N 45 110.400 114.959 -4.559 1
1 529 . 14 1 1 A 46 46 LEU H H 46 7.480 7.411 0.069 1
1 530 . 14 1 1 A 46 46 LEU HA H 46 4.180 4.277 -0.097 1
1 540 . 14 1 1 A 46 46 LEU CA C 46 54.800 55.217 -0.417 1
1 541 . 14 1 1 A 46 46 LEU CB C 46 41.700 43.083 -1.383 1
1 545 . 14 1 1 A 46 46 LEU N N 46 122.600 124.311 -1.711 1
1 546 . 14 1 1 A 47 47 LYS H H 47 8.790 8.337 0.453 1
1 547 . 14 1 1 A 47 47 LYS HA H 47 4.460 4.167 0.293 1
1 556 . 14 1 1 A 47 47 LYS CA C 47 56.700 56.654 0.046 1
1 557 . 14 1 1 A 47 47 LYS CB C 47 31.100 33.673 -2.573 1
1 561 . 14 1 1 A 47 47 LYS N N 47 120.800 126.399 -5.599 1
1 562 . 14 1 1 A 48 48 VAL H H 48 8.600 8.223 0.377 1
1 563 . 14 1 1 A 48 48 VAL HA H 48 3.470 3.756 -0.286 1
1 571 . 14 1 1 A 48 48 VAL CA C 48 66.900 66.131 0.769 1
1 572 . 14 1 1 A 48 48 VAL CB C 48 31.000 31.639 -0.639 1
1 575 . 14 1 1 A 48 48 VAL N N 48 123.000 124.984 -1.984 1
1 576 . 14 1 1 A 49 49 GLU H H 49 9.360 8.204 1.156 1
1 577 . 14 1 1 A 49 49 GLU HA H 49 4.180 4.094 0.086 1
1 582 . 14 1 1 A 49 49 GLU CA C 49 57.600 57.879 -0.279 1
1 583 . 14 1 1 A 49 49 GLU CB C 49 28.500 29.354 -0.854 1
1 585 . 14 1 1 A 49 49 GLU N N 49 115.300 120.502 -5.202 1
1 586 . 14 1 1 A 50 50 ASP H H 50 7.840 7.833 0.007 1
1 587 . 14 1 1 A 50 50 ASP HA H 50 4.840 4.680 0.160 1
1 590 . 14 1 1 A 50 50 ASP CA C 50 53.800 54.370 -0.570 1
1 591 . 14 1 1 A 50 50 ASP CB C 50 41.400 42.136 -0.736 1
1 592 . 14 1 1 A 50 50 ASP N N 50 118.900 117.345 1.555 1
1 593 . 14 1 1 A 51 51 VAL H H 51 7.150 6.879 0.271 1
1 594 . 14 1 1 A 51 51 VAL HA H 51 3.950 3.609 0.341 1
1 602 . 14 1 1 A 51 51 VAL CA C 51 63.700 61.480 2.220 1
1 603 . 14 1 1 A 51 51 VAL CB C 51 30.900 31.833 -0.933 1
1 606 . 14 1 1 A 51 51 VAL N N 51 119.900 120.928 -1.028 1
1 607 . 14 1 1 A 52 52 LYS H H 52 11.840 8.031 3.809 1
1 608 . 14 1 1 A 52 52 LYS HA H 52 4.980 4.517 0.463 1
1 617 . 14 1 1 A 52 52 LYS CA C 52 52.800 54.331 -1.531 1
1 618 . 14 1 1 A 52 52 LYS CB C 52 33.100 32.229 0.871 1
1 622 . 14 1 1 A 52 52 LYS N N 52 133.900 129.885 4.015 1
1 623 . 14 1 1 A 53 53 PRO HA H 53 4.370 4.329 0.041 1
1 630 . 14 1 1 A 53 53 PRO CA C 53 66.600 65.815 0.785 1
1 631 . 14 1 1 A 53 53 PRO CB C 53 31.600 31.706 -0.106 1
1 634 . 14 1 1 A 54 54 ARG H H 54 8.180 8.303 -0.123 1
1 635 . 14 1 1 A 54 54 ARG HA H 54 4.200 4.821 -0.621 1
1 643 . 14 1 1 A 54 54 ARG CA C 54 58.300 59.143 -0.843 1
1 644 . 14 1 1 A 54 54 ARG CB C 54 28.700 29.749 -1.049 1
1 647 . 14 1 1 A 54 54 ARG N N 54 113.800 118.134 -4.334 1
1 649 . 14 1 1 A 55 55 HIS H H 55 7.650 8.021 -0.371 1
1 650 . 14 1 1 A 55 55 HIS HA H 55 4.430 4.438 -0.008 1
1 655 . 14 1 1 A 55 55 HIS CA C 55 60.500 58.707 1.793 1
1 656 . 14 1 1 A 55 55 HIS CB C 55 31.400 29.957 1.443 1
1 659 . 14 1 1 A 55 55 HIS N N 55 118.400 117.973 0.427 1
1 660 . 14 1 1 A 56 56 ILE H H 56 7.280 8.270 -0.990 1
1 661 . 14 1 1 A 56 56 ILE HA H 56 3.480 3.658 -0.178 1
1 671 . 14 1 1 A 56 56 ILE CA C 56 61.900 64.715 -2.815 1
1 672 . 14 1 1 A 56 56 ILE CB C 56 33.900 36.878 -2.978 1
1 676 . 14 1 1 A 56 56 ILE N N 56 117.400 119.506 -2.106 1
1 677 . 14 1 1 A 57 57 ASP H H 57 8.010 8.623 -0.613 1
1 678 . 14 1 1 A 57 57 ASP HA H 57 4.220 4.666 -0.446 1
1 681 . 14 1 1 A 57 57 ASP CA C 57 57.200 57.300 -0.100 1
1 682 . 14 1 1 A 57 57 ASP CB C 57 40.900 39.916 0.984 1
1 683 . 14 1 1 A 57 57 ASP N N 57 119.400 120.687 -1.287 1
1 684 . 14 1 1 A 58 58 ASP H H 58 8.000 8.381 -0.381 1
1 685 . 14 1 1 A 58 58 ASP HA H 58 4.380 4.433 -0.053 1
1 688 . 14 1 1 A 58 58 ASP CA C 58 57.600 57.228 0.372 1
1 689 . 14 1 1 A 58 58 ASP CB C 58 39.200 41.398 -2.198 1
1 690 . 14 1 1 A 58 58 ASP N N 58 117.400 119.957 -2.557 1
1 691 . 14 1 1 A 59 59 VAL H H 59 7.800 7.410 0.390 1
1 692 . 14 1 1 A 59 59 VAL HA H 59 3.620 3.802 -0.182 1
1 700 . 14 1 1 A 59 59 VAL CA C 59 66.200 65.638 0.562 1
1 701 . 14 1 1 A 59 59 VAL CB C 59 31.400 31.456 -0.056 1
1 704 . 14 1 1 A 59 59 VAL N N 59 121.200 117.637 3.563 1
1 705 . 14 1 1 A 60 60 LEU H H 60 8.030 8.286 -0.256 1
1 706 . 14 1 1 A 60 60 LEU HA H 60 3.870 3.993 -0.123 1
1 716 . 14 1 1 A 60 60 LEU CA C 60 58.000 57.957 0.043 1
1 717 . 14 1 1 A 60 60 LEU CB C 60 40.300 40.667 -0.367 1
1 721 . 14 1 1 A 60 60 LEU N N 60 118.900 122.119 -3.219 1
1 722 . 14 1 1 A 61 61 LYS H H 61 8.710 8.563 0.147 1
1 723 . 14 1 1 A 61 61 LYS HA H 61 3.920 4.055 -0.135 1
1 732 . 14 1 1 A 61 61 LYS CA C 61 59.600 58.929 0.671 1
1 733 . 14 1 1 A 61 61 LYS CB C 61 32.500 31.961 0.539 1
1 737 . 14 1 1 A 61 61 LYS N N 61 118.300 118.236 0.064 1
1 738 . 14 1 1 A 62 62 ALA H H 62 7.590 7.904 -0.314 1
1 739 . 14 1 1 A 62 62 ALA HA H 62 4.170 4.070 0.100 1
1 743 . 14 1 1 A 62 62 ALA CA C 62 55.100 54.994 0.106 1
1 744 . 14 1 1 A 62 62 ALA CB C 62 17.900 18.245 -0.345 1
1 745 . 14 1 1 A 62 62 ALA N N 62 121.000 121.702 -0.702 1
1 746 . 14 1 1 A 63 63 VAL H H 63 8.090 7.869 0.221 1
1 747 . 14 1 1 A 63 63 VAL HA H 63 3.710 3.881 -0.171 1
1 755 . 14 1 1 A 63 63 VAL CA C 63 65.700 65.309 0.391 1
1 756 . 14 1 1 A 63 63 VAL CB C 63 31.700 31.191 0.509 1
1 759 . 14 1 1 A 63 63 VAL N N 63 118.000 116.909 1.091 1
1 760 . 14 1 1 A 64 64 MET H H 64 8.360 7.730 0.630 1
1 761 . 14 1 1 A 64 64 MET HA H 64 4.110 4.223 -0.113 1
1 769 . 14 1 1 A 64 64 MET CA C 64 57.600 58.289 -0.689 1
1 770 . 14 1 1 A 64 64 MET CB C 64 31.700 32.716 -1.016 1
1 773 . 14 1 1 A 64 64 MET N N 64 119.400 120.372 -0.972 1
1 774 . 14 1 1 A 65 65 LYS H H 65 7.660 7.598 0.062 1
1 775 . 14 1 1 A 65 65 LYS HA H 65 4.170 4.081 0.089 1
1 784 . 14 1 1 A 65 65 LYS CA C 65 58.100 59.098 -0.998 1
1 785 . 14 1 1 A 65 65 LYS CB C 65 32.500 32.118 0.382 1
1 789 . 14 1 1 A 65 65 LYS N N 65 118.900 118.750 0.150 1
1 790 . 14 1 1 A 66 66 ARG H H 66 7.600 8.723 -1.123 1
1 791 . 14 1 1 A 66 66 ARG HA H 66 4.430 4.139 0.291 1
1 799 . 14 1 1 A 66 66 ARG CA C 66 56.600 57.337 -0.737 1
1 800 . 14 1 1 A 66 66 ARG CB C 66 30.400 29.871 0.529 1
1 803 . 14 1 1 A 66 66 ARG N N 66 115.800 119.182 -3.382 1
1 805 . 14 1 1 A 67 67 GLY H H 67 7.830 7.601 0.229 1
1 806 . 14 1 1 A 67 67 GLY HA2 H 67 4.010 4.120 -0.110 1
1 807 . 14 1 1 A 67 67 GLY HA3 H 67 3.980 4.120 -0.140 1
1 808 . 14 1 1 A 67 67 GLY CA C 67 45.700 46.094 -0.394 1
1 809 . 14 1 1 A 67 67 GLY N N 67 107.400 108.094 -0.694 1
1 810 . 14 1 1 A 68 68 ALA H H 68 7.730 7.654 0.076 1
1 811 . 14 1 1 A 68 68 ALA HA H 68 4.980 4.696 0.284 1
1 815 . 14 1 1 A 68 68 ALA CA C 68 49.700 50.339 -0.639 1
1 816 . 14 1 1 A 68 68 ALA CB C 68 18.900 21.590 -2.690 1
1 817 . 14 1 1 A 68 68 ALA N N 68 122.500 120.670 1.830 1
1 818 . 14 1 1 A 69 69 PRO HA H 69 4.350 4.347 0.003 1
1 825 . 14 1 1 A 69 69 PRO CA C 69 65.400 64.327 1.073 1
1 826 . 14 1 1 A 69 69 PRO CB C 69 31.700 31.900 -0.200 1
1 829 . 14 1 1 A 70 70 SER H H 70 8.430 8.418 0.012 1
1 830 . 14 1 1 A 70 70 SER HA H 70 4.250 4.188 0.062 1
1 833 . 14 1 1 A 70 70 SER CA C 70 61.000 61.661 -0.661 1
1 834 . 14 1 1 A 70 70 SER CB C 70 61.500 62.830 -1.330 1
1 835 . 14 1 1 A 70 70 SER N N 70 112.200 113.466 -1.266 1
1 836 . 14 1 1 A 71 71 ILE H H 71 7.430 7.733 -0.303 1
1 837 . 14 1 1 A 71 71 ILE HA H 71 3.980 3.731 0.249 1
1 847 . 14 1 1 A 71 71 ILE CA C 71 63.100 65.601 -2.501 1
1 848 . 14 1 1 A 71 71 ILE CB C 71 36.700 37.988 -1.288 1
1 852 . 14 1 1 A 71 71 ILE N N 71 122.000 121.983 0.017 1
1 853 . 14 1 1 A 72 72 ALA H H 72 7.780 8.336 -0.556 1
1 854 . 14 1 1 A 72 72 ALA HA H 72 3.910 3.987 -0.077 1
1 858 . 14 1 1 A 72 72 ALA CA C 72 55.800 55.740 0.060 1
1 859 . 14 1 1 A 72 72 ALA CB C 72 17.900 17.972 -0.072 1
1 860 . 14 1 1 A 72 72 ALA N N 72 126.100 122.088 4.012 1
1 861 . 14 1 1 A 73 73 ASN H H 73 8.180 8.033 0.147 1
1 862 . 14 1 1 A 73 73 ASN HA H 73 4.410 4.446 -0.036 1
1 867 . 14 1 1 A 73 73 ASN CA C 73 55.900 56.093 -0.193 1
1 868 . 14 1 1 A 73 73 ASN CB C 73 37.800 37.568 0.232 1
1 869 . 14 1 1 A 73 73 ASN N N 73 116.700 117.195 -0.495 1
1 871 . 14 1 1 A 74 74 ASP H H 74 8.120 8.514 -0.394 1
1 872 . 14 1 1 A 74 74 ASP HA H 74 4.410 4.419 -0.009 1
1 875 . 14 1 1 A 74 74 ASP CA C 74 57.500 57.459 0.041 1
1 876 . 14 1 1 A 74 74 ASP CB C 74 41.400 41.393 0.007 1
1 877 . 14 1 1 A 74 74 ASP N N 74 120.800 119.315 1.485 1
1 878 . 14 1 1 A 75 75 THR H H 75 8.360 8.415 -0.055 1
1 879 . 14 1 1 A 75 75 THR HA H 75 3.750 4.226 -0.476 1
1 884 . 14 1 1 A 75 75 THR CA C 75 68.800 67.295 1.505 1
1 885 . 14 1 1 A 75 75 THR CB C 75 67.700 67.807 -0.107 1
1 887 . 14 1 1 A 75 75 THR N N 75 116.300 116.519 -0.219 1
1 888 . 14 1 1 A 76 76 LEU H H 76 8.160 8.504 -0.344 1
1 889 . 14 1 1 A 76 76 LEU HA H 76 3.980 4.021 -0.041 1
1 899 . 14 1 1 A 76 76 LEU CA C 76 58.000 58.081 -0.081 1
1 900 . 14 1 1 A 76 76 LEU CB C 76 40.500 41.600 -1.100 1
1 904 . 14 1 1 A 76 76 LEU N N 76 121.000 120.976 0.024 1
1 905 . 14 1 1 A 77 77 ARG H H 77 7.810 8.325 -0.515 1
1 906 . 14 1 1 A 77 77 ARG HA H 77 3.790 3.839 -0.049 1
1 914 . 14 1 1 A 77 77 ARG CA C 77 60.000 59.346 0.654 1
1 915 . 14 1 1 A 77 77 ARG CB C 77 29.400 29.591 -0.191 1
1 918 . 14 1 1 A 77 77 ARG N N 77 118.400 119.180 -0.780 1
1 920 . 14 1 1 A 78 78 TRP H H 78 7.870 7.439 0.431 1
1 921 . 14 1 1 A 78 78 TRP HA H 78 4.490 4.627 -0.137 1
1 930 . 14 1 1 A 78 78 TRP CA C 78 60.200 59.955 0.245 1
1 931 . 14 1 1 A 78 78 TRP CB C 78 28.700 29.789 -1.089 1
1 937 . 14 1 1 A 78 78 TRP N N 78 118.300 120.101 -1.801 1
1 939 . 14 1 1 A 79 79 LEU H H 79 8.630 8.694 -0.064 1
1 940 . 14 1 1 A 79 79 LEU HA H 79 3.940 3.834 0.106 1
1 950 . 14 1 1 A 79 79 LEU CA C 79 58.200 58.187 0.013 1
1 951 . 14 1 1 A 79 79 LEU CB C 79 42.300 41.486 0.814 1
1 955 . 14 1 1 A 79 79 LEU N N 79 120.200 120.401 -0.201 1
1 956 . 14 1 1 A 80 80 LYS H H 80 8.710 8.529 0.181 1
1 957 . 14 1 1 A 80 80 LYS HA H 80 3.880 4.003 -0.123 1
1 966 . 14 1 1 A 80 80 LYS CA C 80 61.300 59.810 1.490 1
1 967 . 14 1 1 A 80 80 LYS CB C 80 32.300 32.479 -0.179 1
1 971 . 14 1 1 A 80 80 LYS N N 80 118.400 120.623 -2.223 1
1 972 . 14 1 1 A 81 81 ARG H H 81 7.800 7.884 -0.084 1
1 973 . 14 1 1 A 81 81 ARG HA H 81 4.030 4.163 -0.133 1
1 981 . 14 1 1 A 81 81 ARG CA C 81 59.700 59.702 -0.002 1
1 982 . 14 1 1 A 81 81 ARG CB C 81 30.400 30.679 -0.279 1
1 985 . 14 1 1 A 81 81 ARG N N 81 117.400 119.303 -1.903 1
1 987 . 14 1 1 A 82 82 MET H H 82 8.530 8.153 0.377 1
1 988 . 14 1 1 A 82 82 MET HA H 82 3.000 3.802 -0.802 1
1 996 . 14 1 1 A 82 82 MET CA C 82 58.900 58.524 0.376 1
1 997 . 14 1 1 A 82 82 MET CB C 82 32.300 31.333 0.967 1
1 1000 . 14 1 1 A 82 82 MET N N 82 121.400 118.786 2.614 1
1 1001 . 14 1 1 A 83 83 PHE H H 83 8.340 8.345 -0.005 1
1 1002 . 14 1 1 A 83 83 PHE HA H 83 4.340 4.281 0.059 1
1 1010 . 14 1 1 A 83 83 PHE CA C 83 61.900 61.143 0.757 1
1 1011 . 14 1 1 A 83 83 PHE CB C 83 38.800 37.980 0.820 1
1 1015 . 14 1 1 A 83 83 PHE N N 83 116.900 117.710 -0.810 1
1 1016 . 14 1 1 A 84 84 ASN H H 84 8.170 8.062 0.108 1
1 1017 . 14 1 1 A 84 84 ASN HA H 84 4.670 4.549 0.121 1
1 1022 . 14 1 1 A 84 84 ASN CA C 84 55.800 56.420 -0.620 1
1 1023 . 14 1 1 A 84 84 ASN CB C 84 37.500 38.813 -1.313 1
1 1024 . 14 1 1 A 84 84 ASN N N 84 120.500 118.725 1.775 1
1 1026 . 14 1 1 A 85 85 TYR H H 85 7.910 8.326 -0.416 1
1 1027 . 14 1 1 A 85 85 TYR HA H 85 4.320 4.228 0.092 1
1 1034 . 14 1 1 A 85 85 TYR CA C 85 61.100 61.895 -0.795 1
1 1035 . 14 1 1 A 85 85 TYR CB C 85 37.900 38.694 -0.794 1
1 1038 . 14 1 1 A 85 85 TYR N N 85 124.000 120.808 3.192 1
1 1039 . 14 1 1 A 86 86 ALA H H 86 7.780 7.876 -0.096 1
1 1040 . 14 1 1 A 86 86 ALA HA H 86 3.670 4.037 -0.367 1
1 1044 . 14 1 1 A 86 86 ALA CA C 86 54.800 55.025 -0.225 1
1 1045 . 14 1 1 A 86 86 ALA CB C 86 18.100 18.334 -0.234 1
1 1046 . 14 1 1 A 86 86 ALA N N 86 120.500 121.523 -1.023 1
1 1047 . 14 1 1 A 87 87 ILE H H 87 7.880 7.829 0.051 1
1 1048 . 14 1 1 A 87 87 ILE HA H 87 4.240 4.523 -0.283 1
1 1058 . 14 1 1 A 87 87 ILE CA C 87 63.900 65.347 -1.447 1
1 1059 . 14 1 1 A 87 87 ILE CB C 87 37.900 37.909 -0.009 1
1 1063 . 14 1 1 A 87 87 ILE N N 87 120.400 119.159 1.241 1
1 1064 . 14 1 1 A 88 88 LYS H H 88 7.880 8.404 -0.524 1
1 1065 . 14 1 1 A 88 88 LYS HA H 88 3.900 4.126 -0.226 1
1 1074 . 14 1 1 A 88 88 LYS CA C 88 58.900 58.404 0.496 1
1 1075 . 14 1 1 A 88 88 LYS CB C 88 31.300 31.394 -0.094 1
1 1079 . 14 1 1 A 88 88 LYS N N 88 124.300 120.679 3.621 1
1 1080 . 14 1 1 A 89 89 ARG H H 89 7.350 7.178 0.172 1
1 1081 . 14 1 1 A 89 89 ARG HA H 89 4.020 4.356 -0.336 1
1 1088 . 14 1 1 A 89 89 ARG CA C 89 54.600 55.680 -1.080 1
1 1089 . 14 1 1 A 89 89 ARG CB C 89 29.100 30.043 -0.943 1
1 1092 . 14 1 1 A 89 89 ARG N N 89 114.300 117.554 -3.254 1
1 1093 . 14 1 1 A 90 90 HIS H H 90 8.030 7.951 0.079 1
1 1094 . 14 1 1 A 90 90 HIS HA H 90 4.330 4.226 0.104 1
1 1098 . 14 1 1 A 90 90 HIS CA C 90 56.300 56.520 -0.220 1
1 1099 . 14 1 1 A 90 90 HIS CB C 90 25.200 27.874 -2.674 1
1 1101 . 14 1 1 A 90 90 HIS N N 90 113.200 115.909 -2.709 1
1 1102 . 14 1 1 A 91 91 ILE H H 91 8.370 8.188 0.182 1
1 1103 . 14 1 1 A 91 91 ILE HA H 91 3.830 3.857 -0.027 1
1 1113 . 14 1 1 A 91 91 ILE CA C 91 63.600 62.301 1.299 1
1 1114 . 14 1 1 A 91 91 ILE CB C 91 39.300 38.734 0.566 1
1 1118 . 14 1 1 A 91 91 ILE N N 91 118.400 116.255 2.145 1
1 1119 . 14 1 1 A 92 92 ILE H H 92 6.860 7.414 -0.554 1
1 1120 . 14 1 1 A 92 92 ILE HA H 92 4.570 4.488 0.082 1
1 1130 . 14 1 1 A 92 92 ILE CA C 92 58.800 58.393 0.407 1
1 1131 . 14 1 1 A 92 92 ILE CB C 92 42.700 41.494 1.206 1
1 1135 . 14 1 1 A 92 92 ILE N N 92 108.600 116.752 -8.152 1
1 1136 . 14 1 1 A 93 93 GLU H H 93 8.690 8.724 -0.034 1
1 1137 . 14 1 1 A 93 93 GLU HA H 93 4.470 4.543 -0.073 1
1 1142 . 14 1 1 A 93 93 GLU CA C 93 56.400 56.549 -0.149 1
1 1143 . 14 1 1 A 93 93 GLU CB C 93 31.200 30.963 0.237 1
1 1145 . 14 1 1 A 93 93 GLU N N 93 116.800 120.228 -3.428 1
1 1146 . 14 1 1 A 94 94 TYR H H 94 7.420 7.516 -0.096 1
1 1147 . 14 1 1 A 94 94 TYR HA H 94 4.710 5.275 -0.565 1
1 1154 . 14 1 1 A 94 94 TYR CA C 94 55.800 55.226 0.574 1
1 1155 . 14 1 1 A 94 94 TYR CB C 94 40.600 41.770 -1.170 1
1 1158 . 14 1 1 A 94 94 TYR N N 94 117.900 115.971 1.929 1
1 1159 . 14 1 1 A 95 95 ASN H H 95 8.960 8.639 0.321 1
1 1160 . 14 1 1 A 95 95 ASN HA H 95 4.550 4.972 -0.422 1
1 1165 . 14 1 1 A 95 95 ASN CA C 95 49.700 50.761 -1.061 1
1 1166 . 14 1 1 A 95 95 ASN CB C 95 39.200 39.613 -0.413 1
1 1167 . 14 1 1 A 95 95 ASN N N 95 122.500 119.815 2.685 1
1 1169 . 14 1 1 A 96 96 PRO HA H 96 4.300 4.380 -0.080 1
1 1176 . 14 1 1 A 96 96 PRO CA C 96 64.000 64.189 -0.189 1
1 1177 . 14 1 1 A 96 96 PRO CB C 96 31.100 31.526 -0.426 1
1 1180 . 14 1 1 A 97 97 ALA H H 97 8.090 8.081 0.009 1
1 1181 . 14 1 1 A 97 97 ALA HA H 97 4.540 4.554 -0.014 1
1 1185 . 14 1 1 A 97 97 ALA CA C 97 51.200 54.234 -3.034 1
1 1186 . 14 1 1 A 97 97 ALA CB C 97 18.900 18.550 0.350 1
1 1187 . 14 1 1 A 97 97 ALA N N 97 118.400 119.619 -1.219 1
1 1188 . 14 1 1 A 98 98 ALA H H 98 7.330 7.538 -0.208 1
1 1189 . 14 1 1 A 98 98 ALA HA H 98 3.990 4.274 -0.284 1
1 1193 . 14 1 1 A 98 98 ALA CA C 98 54.700 53.452 1.248 1
1 1194 . 14 1 1 A 98 98 ALA CB C 98 18.900 18.695 0.205 1
1 1195 . 14 1 1 A 98 98 ALA N N 98 120.500 119.325 1.175 1
1 1196 . 14 1 1 A 99 99 ALA H H 99 8.020 7.305 0.715 1
1 1197 . 14 1 1 A 99 99 ALA HA H 99 4.180 4.109 0.071 1
1 1201 . 14 1 1 A 99 99 ALA CA C 99 52.500 52.246 0.254 1
1 1202 . 14 1 1 A 99 99 ALA CB C 99 18.200 17.881 0.319 1
1 1203 . 14 1 1 A 99 99 ALA N N 99 117.400 119.334 -1.934 1
1 1204 . 14 1 1 A 100 100 PHE H H 100 7.320 8.135 -0.815 1
1 1205 . 14 1 1 A 100 100 PHE HA H 100 4.360 4.701 -0.341 1
1 1210 . 14 1 1 A 100 100 PHE CA C 100 57.700 58.953 -1.253 1
1 1211 . 14 1 1 A 100 100 PHE CB C 100 40.500 40.625 -0.125 1
1 1213 . 14 1 1 A 100 100 PHE N N 100 117.400 116.871 0.529 1
1 1214 . 14 1 1 A 101 101 ASP H H 101 8.520 7.923 0.597 1
1 1215 . 14 1 1 A 101 101 ASP HA H 101 4.910 5.007 -0.097 1
1 1218 . 14 1 1 A 101 101 ASP CA C 101 51.400 52.184 -0.784 1
1 1219 . 14 1 1 A 101 101 ASP CB C 101 41.400 43.127 -1.727 1
1 1220 . 14 1 1 A 101 101 ASP N N 101 122.600 114.555 8.045 1
1 1221 . 14 1 1 A 102 102 PRO HA H 102 4.350 4.694 -0.344 1
1 1228 . 14 1 1 A 102 102 PRO CA C 102 63.400 63.900 -0.500 1
1 1229 . 14 1 1 A 102 102 PRO CB C 102 31.900 32.399 -0.499 1
1 1232 . 14 1 1 A 103 103 GLY H H 103 8.440 7.565 0.875 1
1 1233 . 14 1 1 A 103 103 GLY HA2 H 103 3.890 4.134 -0.244 1
1 1234 . 14 1 1 A 103 103 GLY HA3 H 103 3.860 4.137 -0.277 1
1 1235 . 14 1 1 A 103 103 GLY CA C 103 45.100 45.787 -0.687 1
1 1236 . 14 1 1 A 103 103 GLY N N 103 108.300 107.275 1.025 1
1 1237 . 14 1 1 A 104 104 ASP H H 104 8.100 8.067 0.033 1
1 1238 . 14 1 1 A 104 104 ASP HA H 104 4.620 4.776 -0.156 1
1 1241 . 14 1 1 A 104 104 ASP CA C 104 53.900 53.934 -0.034 1
1 1242 . 14 1 1 A 104 104 ASP CB C 104 40.700 41.945 -1.245 1
1 1243 . 14 1 1 A 104 104 ASP N N 104 120.100 122.107 -2.007 1
1 1244 . 14 1 1 A 105 105 ALA H H 105 8.360 9.030 -0.670 1
1 1245 . 14 1 1 A 105 105 ALA HA H 105 4.270 3.897 0.373 1
1 1249 . 14 1 1 A 105 105 ALA CA C 105 52.900 54.085 -1.185 1
1 1250 . 14 1 1 A 105 105 ALA CB C 105 18.800 18.287 0.513 1
1 1251 . 14 1 1 A 105 105 ALA N N 105 124.600 130.307 -5.707 1
1 1252 . 14 1 1 A 106 106 GLY H H 106 8.470 8.642 -0.172 1
1 1253 . 14 1 1 A 106 106 GLY HA2 H 106 3.930 3.968 -0.038 1
1 1254 . 14 1 1 A 106 106 GLY HA3 H 106 3.910 3.969 -0.059 1
1 1255 . 14 1 1 A 106 106 GLY CA C 106 45.400 45.697 -0.297 1
1 1256 . 14 1 1 A 106 106 GLY N N 106 107.500 107.116 0.384 1
1 1257 . 14 1 1 A 107 107 GLY H H 107 8.170 8.333 -0.163 1
1 1258 . 14 1 1 A 107 107 GLY HA2 H 107 3.950 3.944 0.006 1
1 1259 . 14 1 1 A 107 107 GLY HA3 H 107 3.940 3.945 -0.005 1
1 1260 . 14 1 1 A 107 107 GLY CA C 107 45.300 45.778 -0.478 1
1 1261 . 14 1 1 A 107 107 GLY N N 107 108.600 109.360 -0.760 1
1 1262 . 14 1 1 A 108 108 LYS H H 108 8.160 7.632 0.528 1
1 1263 . 14 1 1 A 108 108 LYS HA H 108 4.260 4.302 -0.042 1
1 1272 . 14 1 1 A 108 108 LYS CA C 108 56.500 56.739 -0.239 1
1 1273 . 14 1 1 A 108 108 LYS CB C 108 32.800 33.439 -0.639 1
1 1277 . 14 1 1 A 108 108 LYS N N 108 120.500 120.371 0.129 1
1 1278 . 14 1 1 A 109 109 LEU H H 109 8.220 8.586 -0.366 1
1 1279 . 14 1 1 A 109 109 LEU HA H 109 4.260 4.935 -0.675 1
1 1289 . 14 1 1 A 109 109 LEU CA C 109 55.000 53.778 1.222 1
1 1290 . 14 1 1 A 109 109 LEU CB C 109 41.900 45.365 -3.465 1
1 1294 . 14 1 1 A 109 109 LEU N N 109 122.200 120.593 1.607 1
1 1295 . 14 1 1 A 110 110 GLU H H 110 8.160 8.648 -0.488 1
1 1296 . 14 1 1 A 110 110 GLU HA H 110 4.190 4.815 -0.625 1
1 1301 . 14 1 1 A 110 110 GLU CA C 110 56.000 54.378 1.622 1
1 1302 . 14 1 1 A 110 110 GLU CB C 110 29.900 32.359 -2.459 1
1 1304 . 14 1 1 A 110 110 GLU N N 110 121.000 118.898 2.102 1
1 1305 . 14 1 1 A 111 111 HIS H H 111 8.460 8.680 -0.220 1
1 1306 . 14 1 1 A 111 111 HIS HA H 111 4.630 4.985 -0.355 1
1 1309 . 14 1 1 A 111 111 HIS CA C 111 54.900 54.039 0.861 1
1 1310 . 14 1 1 A 111 111 HIS CB C 111 28.700 30.622 -1.922 1
1 1311 . 14 1 1 A 111 111 HIS N N 111 118.900 122.317 -3.417 1
1 1312 . 14 1 1 A 112 112 HIS H H 112 8.540 8.990 -0.450 1
1 1313 . 14 1 1 A 112 112 HIS HA H 112 4.640 5.034 -0.394 1
1 1316 . 14 1 1 A 112 112 HIS CA C 112 55.100 53.722 1.378 1
1 1317 . 14 1 1 A 112 112 HIS CB C 112 28.900 33.188 -4.288 1
1 1318 . 14 1 1 A 112 112 HIS N N 112 119.100 122.286 -3.186 1
1 1319 . 14 1 1 A 113 113 HIS H H 113 8.630 9.226 -0.596 1
1 1320 . 14 1 1 A 113 113 HIS HA H 113 4.670 4.819 -0.149 1
1 1323 . 14 1 1 A 113 113 HIS CA C 113 55.200 55.541 -0.341 1
1 1324 . 14 1 1 A 113 113 HIS CB C 113 28.900 29.204 -0.304 1
1 1325 . 14 1 1 A 113 113 HIS N N 113 119.400 121.436 -2.036 1
1 1326 . 14 1 1 A 114 114 HIS H H 114 8.670 8.489 0.181 1
1 1327 . 14 1 1 A 114 114 HIS HA H 114 4.670 5.447 -0.777 1
1 1330 . 14 1 1 A 114 114 HIS CA C 114 55.200 53.742 1.458 1
1 1331 . 14 1 1 A 114 114 HIS CB C 114 29.100 32.396 -3.296 1
1 1332 . 14 1 1 A 114 114 HIS N N 114 120.400 119.676 0.724 1
1 1333 . 14 1 1 A 115 115 HIS H H 115 8.560 8.571 -0.011 1
1 1334 . 14 1 1 A 115 115 HIS HA H 115 4.660 4.917 -0.257 1
1 1337 . 14 1 1 A 115 115 HIS CA C 115 55.300 55.376 -0.076 1
1 1338 . 14 1 1 A 115 115 HIS CB C 115 29.300 32.284 -2.984 1
1 1339 . 14 1 1 A 115 115 HIS N N 115 120.600 117.160 3.440 1
1 5 . 15 1 1 A 2 2 ALA H H 2 8.190 8.496 -0.306 1
1 6 . 15 1 1 A 2 2 ALA HA H 2 4.510 4.894 -0.384 1
1 10 . 15 1 1 A 2 2 ALA CA C 2 51.900 50.785 1.115 1
1 11 . 15 1 1 A 2 2 ALA CB C 2 19.500 23.955 -4.455 1
1 12 . 15 1 1 A 2 2 ALA N N 2 124.100 125.816 -1.716 1
1 13 . 15 1 1 A 3 3 GLU H H 3 8.740 9.073 -0.333 1
1 14 . 15 1 1 A 3 3 GLU HA H 3 4.380 4.498 -0.118 1
1 19 . 15 1 1 A 3 3 GLU CA C 3 56.000 58.120 -2.120 1
1 20 . 15 1 1 A 3 3 GLU CB C 3 29.900 31.296 -1.396 1
1 22 . 15 1 1 A 3 3 GLU N N 3 120.700 118.945 1.755 1
1 23 . 15 1 1 A 4 4 LYS H H 4 8.580 8.089 0.491 1
1 24 . 15 1 1 A 4 4 LYS HA H 4 4.280 4.304 -0.024 1
1 33 . 15 1 1 A 4 4 LYS CA C 4 56.600 58.614 -2.014 1
1 34 . 15 1 1 A 4 4 LYS CB C 4 32.600 32.950 -0.350 1
1 38 . 15 1 1 A 4 4 LYS N N 4 122.500 117.534 4.966 1
1 39 . 15 1 1 A 5 5 ASN H H 5 8.560 7.945 0.615 1
1 40 . 15 1 1 A 5 5 ASN HA H 5 4.700 5.002 -0.302 1
1 45 . 15 1 1 A 5 5 ASN CA C 5 53.200 52.536 0.664 1
1 46 . 15 1 1 A 5 5 ASN CB C 5 38.900 40.358 -1.458 1
1 47 . 15 1 1 A 5 5 ASN N N 5 119.500 118.456 1.044 1
1 49 . 15 1 1 A 6 6 ALA H H 6 8.210 8.470 -0.260 1
1 50 . 15 1 1 A 6 6 ALA HA H 6 4.520 4.377 0.143 1
1 54 . 15 1 1 A 6 6 ALA CA C 6 51.800 51.781 0.019 1
1 55 . 15 1 1 A 6 6 ALA CB C 6 19.600 18.677 0.923 1
1 56 . 15 1 1 A 6 6 ALA N N 6 124.100 125.951 -1.851 1
1 57 . 15 1 1 A 7 7 TYR H H 7 8.740 8.322 0.418 1
1 58 . 15 1 1 A 7 7 TYR HA H 7 4.700 4.924 -0.224 1
1 65 . 15 1 1 A 7 7 TYR CA C 7 58.900 56.768 2.132 1
1 66 . 15 1 1 A 7 7 TYR CB C 7 40.300 40.750 -0.450 1
1 69 . 15 1 1 A 7 7 TYR N N 7 121.400 122.942 -1.542 1
1 70 . 15 1 1 A 8 8 THR H H 8 8.170 8.972 -0.802 1
1 71 . 15 1 1 A 8 8 THR HA H 8 5.220 4.736 0.484 1
1 76 . 15 1 1 A 8 8 THR CA C 8 59.800 60.630 -0.830 1
1 77 . 15 1 1 A 8 8 THR CB C 8 71.600 71.624 -0.024 1
1 79 . 15 1 1 A 8 8 THR N N 8 113.700 112.480 1.220 1
1 80 . 15 1 1 A 9 9 VAL H H 9 8.990 8.975 0.015 1
1 81 . 15 1 1 A 9 9 VAL HA H 9 3.370 4.044 -0.674 1
1 89 . 15 1 1 A 9 9 VAL CA C 9 66.700 64.641 2.059 1
1 90 . 15 1 1 A 9 9 VAL CB C 9 30.200 31.808 -1.608 1
1 93 . 15 1 1 A 9 9 VAL N N 9 121.400 122.338 -0.938 1
1 94 . 15 1 1 A 10 10 ALA H H 10 9.340 8.210 1.130 1
1 95 . 15 1 1 A 10 10 ALA HA H 10 3.720 4.006 -0.286 1
1 99 . 15 1 1 A 10 10 ALA CA C 10 55.800 55.335 0.465 1
1 100 . 15 1 1 A 10 10 ALA CB C 10 18.200 18.120 0.080 1
1 101 . 15 1 1 A 10 10 ALA N N 10 122.000 123.964 -1.964 1
1 102 . 15 1 1 A 11 11 GLN H H 11 7.330 7.405 -0.075 1
1 103 . 15 1 1 A 11 11 GLN HA H 11 4.050 4.059 -0.009 1
1 110 . 15 1 1 A 11 11 GLN CA C 11 58.400 58.525 -0.125 1
1 111 . 15 1 1 A 11 11 GLN CB C 11 28.700 28.326 0.374 1
1 113 . 15 1 1 A 11 11 GLN N N 11 115.300 117.512 -2.212 1
1 115 . 15 1 1 A 12 12 LEU H H 12 8.510 7.861 0.649 1
1 116 . 15 1 1 A 12 12 LEU HA H 12 4.200 4.248 -0.048 1
1 126 . 15 1 1 A 12 12 LEU CA C 12 57.600 58.111 -0.511 1
1 127 . 15 1 1 A 12 12 LEU CB C 12 41.700 41.535 0.165 1
1 131 . 15 1 1 A 12 12 LEU N N 12 121.500 120.235 1.265 1
1 132 . 15 1 1 A 13 13 ALA H H 13 9.160 7.879 1.281 1
1 133 . 15 1 1 A 13 13 ALA HA H 13 3.990 4.154 -0.164 1
1 137 . 15 1 1 A 13 13 ALA CA C 13 55.400 54.996 0.404 1
1 138 . 15 1 1 A 13 13 ALA CB C 13 17.700 18.088 -0.388 1
1 139 . 15 1 1 A 13 13 ALA N N 13 121.000 121.914 -0.914 1
1 140 . 15 1 1 A 14 14 ASP H H 14 7.920 8.054 -0.134 1
1 141 . 15 1 1 A 14 14 ASP HA H 14 4.480 4.823 -0.343 1
1 144 . 15 1 1 A 14 14 ASP CA C 14 57.200 57.821 -0.621 1
1 145 . 15 1 1 A 14 14 ASP CB C 14 39.500 41.242 -1.742 1
1 146 . 15 1 1 A 14 14 ASP N N 14 117.400 118.996 -1.596 1
1 147 . 15 1 1 A 15 15 GLU H H 15 8.210 7.978 0.232 1
1 148 . 15 1 1 A 15 15 GLU HA H 15 4.110 3.969 0.141 1
1 153 . 15 1 1 A 15 15 GLU CA C 15 59.800 59.332 0.468 1
1 154 . 15 1 1 A 15 15 GLU CB C 15 30.100 29.573 0.527 1
1 156 . 15 1 1 A 15 15 GLU N N 15 122.500 118.399 4.101 1
1 157 . 15 1 1 A 16 16 TYR H H 16 9.230 8.108 1.122 1
1 158 . 15 1 1 A 16 16 TYR HA H 16 3.180 3.821 -0.641 1
1 165 . 15 1 1 A 16 16 TYR CA C 16 61.100 61.415 -0.315 1
1 166 . 15 1 1 A 16 16 TYR CB C 16 38.300 38.376 -0.076 1
1 169 . 15 1 1 A 16 16 TYR N N 16 119.400 121.502 -2.102 1
1 170 . 15 1 1 A 17 17 PHE H H 17 8.700 8.566 0.134 1
1 171 . 15 1 1 A 17 17 PHE HA H 17 3.480 4.410 -0.930 1
1 178 . 15 1 1 A 17 17 PHE CA C 17 61.600 59.782 1.818 1
1 179 . 15 1 1 A 17 17 PHE CB C 17 39.300 37.992 1.308 1
1 182 . 15 1 1 A 17 17 PHE N N 17 118.400 117.568 0.832 1
1 183 . 15 1 1 A 18 18 GLU H H 18 8.280 7.521 0.759 1
1 184 . 15 1 1 A 18 18 GLU HA H 18 3.840 3.285 0.555 1
1 189 . 15 1 1 A 18 18 GLU CA C 18 58.800 59.196 -0.396 1
1 190 . 15 1 1 A 18 18 GLU CB C 18 29.000 28.936 0.064 1
1 192 . 15 1 1 A 18 18 GLU N N 18 118.500 119.820 -1.320 1
1 193 . 15 1 1 A 19 19 ARG H H 19 8.350 7.120 1.230 1
1 194 . 15 1 1 A 19 19 ARG HA H 19 4.200 4.237 -0.037 1
1 202 . 15 1 1 A 19 19 ARG CA C 19 57.300 56.962 0.338 1
1 203 . 15 1 1 A 19 19 ARG CB C 19 30.900 30.953 -0.053 1
1 206 . 15 1 1 A 19 19 ARG N N 19 114.300 118.307 -4.007 1
1 208 . 15 1 1 A 20 20 MET H H 20 7.960 8.112 -0.152 1
1 209 . 15 1 1 A 20 20 MET HA H 20 4.610 4.240 0.370 1
1 217 . 15 1 1 A 20 20 MET CA C 20 54.100 57.719 -3.619 1
1 218 . 15 1 1 A 20 20 MET CB C 20 31.800 32.429 -0.629 1
1 221 . 15 1 1 A 20 20 MET N N 20 112.400 118.612 -6.212 1
1 222 . 15 1 1 A 21 21 ILE H H 21 6.970 7.506 -0.536 1
1 223 . 15 1 1 A 21 21 ILE HA H 21 4.050 4.351 -0.301 1
1 233 . 15 1 1 A 21 21 ILE CA C 21 59.800 60.699 -0.899 1
1 234 . 15 1 1 A 21 21 ILE CB C 21 35.900 37.539 -1.639 1
1 238 . 15 1 1 A 21 21 ILE N N 21 117.900 115.982 1.918 1
1 239 . 15 1 1 A 22 22 ALA H H 22 7.700 7.749 -0.049 1
1 240 . 15 1 1 A 22 22 ALA HA H 22 3.600 3.681 -0.081 1
1 244 . 15 1 1 A 22 22 ALA CA C 22 53.900 51.572 2.328 1
1 245 . 15 1 1 A 22 22 ALA CB C 22 18.000 19.516 -1.516 1
1 246 . 15 1 1 A 22 22 ALA N N 22 123.500 124.679 -1.179 1
1 247 . 15 1 1 A 23 23 GLY H H 23 8.460 7.822 0.638 1
1 248 . 15 1 1 A 23 23 GLY HA2 H 23 3.960 4.267 -0.307 1
1 249 . 15 1 1 A 23 23 GLY HA3 H 23 3.820 4.361 -0.541 1
1 250 . 15 1 1 A 23 23 GLY CA C 23 45.600 45.060 0.540 1
1 251 . 15 1 1 A 23 23 GLY N N 23 109.600 105.719 3.881 1
1 252 . 15 1 1 A 24 24 ARG H H 24 7.830 9.154 -1.324 1
1 253 . 15 1 1 A 24 24 ARG HA H 24 4.440 4.101 0.339 1
1 261 . 15 1 1 A 24 24 ARG CA C 24 56.700 56.748 -0.048 1
1 262 . 15 1 1 A 24 24 ARG CB C 24 32.400 28.886 3.514 1
1 265 . 15 1 1 A 24 24 ARG N N 24 118.400 124.738 -6.338 1
1 267 . 15 1 1 A 25 25 TRP H H 25 8.240 8.224 0.016 1
1 268 . 15 1 1 A 25 25 TRP HA H 25 4.640 4.991 -0.351 1
1 277 . 15 1 1 A 25 25 TRP CA C 25 56.900 56.860 0.040 1
1 278 . 15 1 1 A 25 25 TRP CB C 25 31.400 30.990 0.410 1
1 284 . 15 1 1 A 25 25 TRP N N 25 121.500 120.371 1.129 1
1 286 . 15 1 1 A 26 26 LYS H H 26 7.890 6.800 1.090 1
1 287 . 15 1 1 A 26 26 LYS HA H 26 3.910 3.481 0.429 1
1 296 . 15 1 1 A 26 26 LYS CA C 26 56.800 56.703 0.097 1
1 297 . 15 1 1 A 26 26 LYS CB C 26 32.200 31.792 0.408 1
1 301 . 15 1 1 A 26 26 LYS N N 26 122.500 119.498 3.002 1
1 302 . 15 1 1 A 27 27 HIS H H 27 7.840 8.217 -0.377 1
1 303 . 15 1 1 A 27 27 HIS HA H 27 5.230 4.188 1.042 1
1 307 . 15 1 1 A 27 27 HIS CA C 27 53.200 56.268 -3.068 1
1 308 . 15 1 1 A 27 27 HIS CB C 27 28.200 27.795 0.405 1
1 310 . 15 1 1 A 27 27 HIS N N 27 112.700 118.431 -5.731 1
1 311 . 15 1 1 A 28 28 PRO HA H 28 4.120 4.755 -0.635 1
1 318 . 15 1 1 A 28 28 PRO CA C 28 65.400 64.974 0.426 1
1 319 . 15 1 1 A 28 28 PRO CB C 28 32.200 32.205 -0.005 1
1 322 . 15 1 1 A 29 29 ASN H H 29 8.840 8.937 -0.097 1
1 323 . 15 1 1 A 29 29 ASN HA H 29 4.470 4.529 -0.059 1
1 328 . 15 1 1 A 29 29 ASN CA C 29 56.100 55.177 0.923 1
1 329 . 15 1 1 A 29 29 ASN CB C 29 37.000 37.143 -0.143 1
1 330 . 15 1 1 A 29 29 ASN N N 29 116.300 114.881 1.419 1
1 332 . 15 1 1 A 30 30 ILE H H 30 7.630 7.870 -0.240 1
1 333 . 15 1 1 A 30 30 ILE HA H 30 3.910 3.645 0.265 1
1 343 . 15 1 1 A 30 30 ILE CA C 30 63.700 64.879 -1.179 1
1 344 . 15 1 1 A 30 30 ILE CB C 30 37.300 37.745 -0.445 1
1 348 . 15 1 1 A 30 30 ILE N N 30 121.500 121.763 -0.263 1
1 349 . 15 1 1 A 31 31 VAL H H 31 6.920 8.151 -1.231 1
1 350 . 15 1 1 A 31 31 VAL HA H 31 3.020 3.764 -0.744 1
1 358 . 15 1 1 A 31 31 VAL CA C 31 65.500 64.688 0.812 1
1 359 . 15 1 1 A 31 31 VAL CB C 31 30.900 31.496 -0.596 1
1 362 . 15 1 1 A 31 31 VAL N N 31 119.900 121.290 -1.390 1
1 363 . 15 1 1 A 32 32 ARG H H 32 8.080 7.923 0.157 1
1 364 . 15 1 1 A 32 32 ARG HA H 32 3.380 3.670 -0.290 1
1 371 . 15 1 1 A 32 32 ARG CA C 32 58.900 59.807 -0.907 1
1 372 . 15 1 1 A 32 32 ARG CB C 32 28.800 29.612 -0.812 1
1 375 . 15 1 1 A 32 32 ARG N N 32 118.900 122.313 -3.413 1
1 376 . 15 1 1 A 33 33 SER H H 33 7.840 7.944 -0.104 1
1 377 . 15 1 1 A 33 33 SER HA H 33 4.130 4.075 0.055 1
1 380 . 15 1 1 A 33 33 SER CA C 33 61.900 62.061 -0.161 1
1 381 . 15 1 1 A 33 33 SER CB C 33 62.700 62.805 -0.105 1
1 382 . 15 1 1 A 33 33 SER N N 33 113.400 116.274 -2.874 1
1 383 . 15 1 1 A 34 34 ARG H H 34 7.610 7.281 0.329 1
1 384 . 15 1 1 A 34 34 ARG HA H 34 4.370 4.135 0.235 1
1 392 . 15 1 1 A 34 34 ARG CA C 34 58.100 58.332 -0.232 1
1 393 . 15 1 1 A 34 34 ARG CB C 34 29.600 29.637 -0.037 1
1 396 . 15 1 1 A 34 34 ARG N N 34 119.900 120.845 -0.945 1
1 398 . 15 1 1 A 35 35 ILE H H 35 8.070 8.231 -0.161 1
1 399 . 15 1 1 A 35 35 ILE HA H 35 3.470 3.528 -0.058 1
1 409 . 15 1 1 A 35 35 ILE CA C 35 65.800 65.525 0.275 1
1 410 . 15 1 1 A 35 35 ILE CB C 35 38.200 37.696 0.504 1
1 414 . 15 1 1 A 35 35 ILE N N 35 118.600 119.984 -1.384 1
1 415 . 15 1 1 A 36 36 GLU H H 36 8.710 8.254 0.456 1
1 416 . 15 1 1 A 36 36 GLU HA H 36 3.880 4.043 -0.163 1
1 421 . 15 1 1 A 36 36 GLU CA C 36 58.400 59.187 -0.787 1
1 422 . 15 1 1 A 36 36 GLU CB C 36 30.000 29.086 0.914 1
1 424 . 15 1 1 A 36 36 GLU N N 36 116.800 118.526 -1.726 1
1 425 . 15 1 1 A 37 37 LYS H H 37 8.550 7.675 0.875 1
1 426 . 15 1 1 A 37 37 LYS HA H 37 4.300 4.386 -0.086 1
1 435 . 15 1 1 A 37 37 LYS CA C 37 57.300 57.842 -0.542 1
1 436 . 15 1 1 A 37 37 LYS CB C 37 33.000 33.506 -0.506 1
1 440 . 15 1 1 A 37 37 LYS N N 37 114.300 120.329 -6.029 1
1 441 . 15 1 1 A 38 38 ASP H H 38 7.480 8.710 -1.230 1
1 442 . 15 1 1 A 38 38 ASP HA H 38 4.970 4.420 0.550 1
1 445 . 15 1 1 A 38 38 ASP CA C 38 55.300 56.711 -1.411 1
1 446 . 15 1 1 A 38 38 ASP CB C 38 42.700 41.046 1.654 1
1 447 . 15 1 1 A 38 38 ASP N N 38 113.900 119.691 -5.791 1
1 448 . 15 1 1 A 39 39 ILE H H 39 7.540 7.665 -0.125 1
1 449 . 15 1 1 A 39 39 ILE HA H 39 3.940 3.947 -0.007 1
1 459 . 15 1 1 A 39 39 ILE CA C 39 64.700 64.361 0.339 1
1 460 . 15 1 1 A 39 39 ILE CB C 39 39.000 38.522 0.478 1
1 464 . 15 1 1 A 39 39 ILE N N 39 116.800 117.452 -0.652 1
1 465 . 15 1 1 A 40 40 LYS H H 40 8.840 7.757 1.083 1
1 466 . 15 1 1 A 40 40 LYS HA H 40 3.650 4.675 -1.025 1
1 475 . 15 1 1 A 40 40 LYS CA C 40 50.600 53.635 -3.035 1
1 476 . 15 1 1 A 40 40 LYS CB C 40 30.400 32.822 -2.422 1
1 480 . 15 1 1 A 40 40 LYS N N 40 118.400 118.136 0.264 1
1 481 . 15 1 1 A 41 41 PRO HA H 41 4.280 4.790 -0.510 1
1 488 . 15 1 1 A 41 41 PRO CA C 41 65.700 65.313 0.387 1
1 489 . 15 1 1 A 41 41 PRO CB C 41 30.700 31.831 -1.131 1
1 492 . 15 1 1 A 42 42 ALA H H 42 6.660 8.243 -1.583 1
1 493 . 15 1 1 A 42 42 ALA HA H 42 4.430 4.580 -0.150 1
1 497 . 15 1 1 A 42 42 ALA CA C 42 53.800 51.738 2.062 1
1 498 . 15 1 1 A 42 42 ALA CB C 42 20.800 20.773 0.027 1
1 499 . 15 1 1 A 42 42 ALA N N 42 115.300 117.896 -2.596 1
1 500 . 15 1 1 A 43 43 ILE H H 43 7.540 7.787 -0.247 1
1 501 . 15 1 1 A 43 43 ILE HA H 43 4.810 4.462 0.348 1
1 511 . 15 1 1 A 43 43 ILE CA C 43 60.600 60.498 0.102 1
1 512 . 15 1 1 A 43 43 ILE CB C 43 41.200 37.880 3.320 1
1 516 . 15 1 1 A 43 43 ILE N N 43 105.000 114.466 -9.466 1
1 517 . 15 1 1 A 44 44 GLY H H 44 8.500 8.342 0.158 1
1 518 . 15 1 1 A 44 44 GLY HA2 H 44 4.170 3.882 0.288 1
1 519 . 15 1 1 A 44 44 GLY HA3 H 44 3.430 3.895 -0.465 1
1 520 . 15 1 1 A 44 44 GLY CA C 44 47.300 46.478 0.822 1
1 521 . 15 1 1 A 44 44 GLY N N 44 109.600 112.836 -3.236 1
1 522 . 15 1 1 A 45 45 SER H H 45 8.120 7.917 0.203 1
1 523 . 15 1 1 A 45 45 SER HA H 45 4.440 4.570 -0.130 1
1 526 . 15 1 1 A 45 45 SER CA C 45 58.600 59.218 -0.618 1
1 527 . 15 1 1 A 45 45 SER CB C 45 63.400 63.999 -0.599 1
1 528 . 15 1 1 A 45 45 SER N N 45 110.400 114.723 -4.323 1
1 529 . 15 1 1 A 46 46 LEU H H 46 7.480 7.358 0.122 1
1 530 . 15 1 1 A 46 46 LEU HA H 46 4.180 4.387 -0.207 1
1 540 . 15 1 1 A 46 46 LEU CA C 46 54.800 54.392 0.408 1
1 541 . 15 1 1 A 46 46 LEU CB C 46 41.700 42.986 -1.286 1
1 545 . 15 1 1 A 46 46 LEU N N 46 122.600 122.716 -0.116 1
1 546 . 15 1 1 A 47 47 LYS H H 47 8.790 8.924 -0.134 1
1 547 . 15 1 1 A 47 47 LYS HA H 47 4.460 4.592 -0.132 1
1 556 . 15 1 1 A 47 47 LYS CA C 47 56.700 55.589 1.111 1
1 557 . 15 1 1 A 47 47 LYS CB C 47 31.100 33.601 -2.501 1
1 561 . 15 1 1 A 47 47 LYS N N 47 120.800 122.376 -1.576 1
1 562 . 15 1 1 A 48 48 VAL H H 48 8.600 8.436 0.164 1
1 563 . 15 1 1 A 48 48 VAL HA H 48 3.470 3.769 -0.299 1
1 571 . 15 1 1 A 48 48 VAL CA C 48 66.900 66.907 -0.007 1
1 572 . 15 1 1 A 48 48 VAL CB C 48 31.000 31.428 -0.428 1
1 575 . 15 1 1 A 48 48 VAL N N 48 123.000 121.270 1.730 1
1 576 . 15 1 1 A 49 49 GLU H H 49 9.360 8.374 0.986 1
1 577 . 15 1 1 A 49 49 GLU HA H 49 4.180 4.232 -0.052 1
1 582 . 15 1 1 A 49 49 GLU CA C 49 57.600 58.165 -0.565 1
1 583 . 15 1 1 A 49 49 GLU CB C 49 28.500 29.832 -1.332 1
1 585 . 15 1 1 A 49 49 GLU N N 49 115.300 120.407 -5.107 1
1 586 . 15 1 1 A 50 50 ASP H H 50 7.840 8.060 -0.220 1
1 587 . 15 1 1 A 50 50 ASP HA H 50 4.840 4.812 0.028 1
1 590 . 15 1 1 A 50 50 ASP CA C 50 53.800 53.926 -0.126 1
1 591 . 15 1 1 A 50 50 ASP CB C 50 41.400 41.983 -0.583 1
1 592 . 15 1 1 A 50 50 ASP N N 50 118.900 120.096 -1.196 1
1 593 . 15 1 1 A 51 51 VAL H H 51 7.150 7.292 -0.142 1
1 594 . 15 1 1 A 51 51 VAL HA H 51 3.950 4.525 -0.575 1
1 602 . 15 1 1 A 51 51 VAL CA C 51 63.700 61.782 1.918 1
1 603 . 15 1 1 A 51 51 VAL CB C 51 30.900 31.290 -0.390 1
1 606 . 15 1 1 A 51 51 VAL N N 51 119.900 119.232 0.668 1
1 607 . 15 1 1 A 52 52 LYS H H 52 11.840 7.687 4.153 1
1 608 . 15 1 1 A 52 52 LYS HA H 52 4.980 4.518 0.462 1
1 617 . 15 1 1 A 52 52 LYS CA C 52 52.800 53.751 -0.951 1
1 618 . 15 1 1 A 52 52 LYS CB C 52 33.100 32.103 0.997 1
1 622 . 15 1 1 A 52 52 LYS N N 52 133.900 129.486 4.414 1
1 623 . 15 1 1 A 53 53 PRO HA H 53 4.370 4.502 -0.132 1
1 630 . 15 1 1 A 53 53 PRO CA C 53 66.600 65.962 0.638 1
1 631 . 15 1 1 A 53 53 PRO CB C 53 31.600 31.825 -0.225 1
1 634 . 15 1 1 A 54 54 ARG H H 54 8.180 8.921 -0.741 1
1 635 . 15 1 1 A 54 54 ARG HA H 54 4.200 4.217 -0.017 1
1 643 . 15 1 1 A 54 54 ARG CA C 54 58.300 58.769 -0.469 1
1 644 . 15 1 1 A 54 54 ARG CB C 54 28.700 29.666 -0.966 1
1 647 . 15 1 1 A 54 54 ARG N N 54 113.800 116.347 -2.547 1
1 649 . 15 1 1 A 55 55 HIS H H 55 7.650 7.855 -0.205 1
1 650 . 15 1 1 A 55 55 HIS HA H 55 4.430 4.424 0.006 1
1 655 . 15 1 1 A 55 55 HIS CA C 55 60.500 60.036 0.464 1
1 656 . 15 1 1 A 55 55 HIS CB C 55 31.400 30.548 0.852 1
1 659 . 15 1 1 A 55 55 HIS N N 55 118.400 117.819 0.581 1
1 660 . 15 1 1 A 56 56 ILE H H 56 7.280 7.823 -0.543 1
1 661 . 15 1 1 A 56 56 ILE HA H 56 3.480 3.432 0.048 1
1 671 . 15 1 1 A 56 56 ILE CA C 56 61.900 64.860 -2.960 1
1 672 . 15 1 1 A 56 56 ILE CB C 56 33.900 36.862 -2.962 1
1 676 . 15 1 1 A 56 56 ILE N N 56 117.400 119.862 -2.462 1
1 677 . 15 1 1 A 57 57 ASP H H 57 8.010 8.059 -0.049 1
1 678 . 15 1 1 A 57 57 ASP HA H 57 4.220 4.208 0.012 1
1 681 . 15 1 1 A 57 57 ASP CA C 57 57.200 57.986 -0.786 1
1 682 . 15 1 1 A 57 57 ASP CB C 57 40.900 41.215 -0.315 1
1 683 . 15 1 1 A 57 57 ASP N N 57 119.400 121.847 -2.447 1
1 684 . 15 1 1 A 58 58 ASP H H 58 8.000 8.104 -0.104 1
1 685 . 15 1 1 A 58 58 ASP HA H 58 4.380 4.347 0.033 1
1 688 . 15 1 1 A 58 58 ASP CA C 58 57.600 57.388 0.212 1
1 689 . 15 1 1 A 58 58 ASP CB C 58 39.200 40.944 -1.744 1
1 690 . 15 1 1 A 58 58 ASP N N 58 117.400 120.064 -2.664 1
1 691 . 15 1 1 A 59 59 VAL H H 59 7.800 8.022 -0.222 1
1 692 . 15 1 1 A 59 59 VAL HA H 59 3.620 3.764 -0.144 1
1 700 . 15 1 1 A 59 59 VAL CA C 59 66.200 65.217 0.983 1
1 701 . 15 1 1 A 59 59 VAL CB C 59 31.400 31.587 -0.187 1
1 704 . 15 1 1 A 59 59 VAL N N 59 121.200 116.288 4.912 1
1 705 . 15 1 1 A 60 60 LEU H H 60 8.030 8.189 -0.159 1
1 706 . 15 1 1 A 60 60 LEU HA H 60 3.870 3.913 -0.043 1
1 716 . 15 1 1 A 60 60 LEU CA C 60 58.000 57.913 0.087 1
1 717 . 15 1 1 A 60 60 LEU CB C 60 40.300 40.929 -0.629 1
1 721 . 15 1 1 A 60 60 LEU N N 60 118.900 121.860 -2.960 1
1 722 . 15 1 1 A 61 61 LYS H H 61 8.710 8.224 0.486 1
1 723 . 15 1 1 A 61 61 LYS HA H 61 3.920 4.042 -0.122 1
1 732 . 15 1 1 A 61 61 LYS CA C 61 59.600 58.340 1.260 1
1 733 . 15 1 1 A 61 61 LYS CB C 61 32.500 32.125 0.375 1
1 737 . 15 1 1 A 61 61 LYS N N 61 118.300 121.246 -2.946 1
1 738 . 15 1 1 A 62 62 ALA H H 62 7.590 7.902 -0.312 1
1 739 . 15 1 1 A 62 62 ALA HA H 62 4.170 4.089 0.081 1
1 743 . 15 1 1 A 62 62 ALA CA C 62 55.100 54.847 0.253 1
1 744 . 15 1 1 A 62 62 ALA CB C 62 17.900 18.274 -0.374 1
1 745 . 15 1 1 A 62 62 ALA N N 62 121.000 121.925 -0.925 1
1 746 . 15 1 1 A 63 63 VAL H H 63 8.090 8.026 0.064 1
1 747 . 15 1 1 A 63 63 VAL HA H 63 3.710 3.799 -0.089 1
1 755 . 15 1 1 A 63 63 VAL CA C 63 65.700 65.230 0.470 1
1 756 . 15 1 1 A 63 63 VAL CB C 63 31.700 31.284 0.416 1
1 759 . 15 1 1 A 63 63 VAL N N 63 118.000 117.208 0.792 1
1 760 . 15 1 1 A 64 64 MET H H 64 8.360 7.873 0.487 1
1 761 . 15 1 1 A 64 64 MET HA H 64 4.110 4.165 -0.055 1
1 769 . 15 1 1 A 64 64 MET CA C 64 57.600 57.907 -0.307 1
1 770 . 15 1 1 A 64 64 MET CB C 64 31.700 32.375 -0.675 1
1 773 . 15 1 1 A 64 64 MET N N 64 119.400 118.541 0.859 1
1 774 . 15 1 1 A 65 65 LYS H H 65 7.660 8.102 -0.442 1
1 775 . 15 1 1 A 65 65 LYS HA H 65 4.170 4.102 0.068 1
1 784 . 15 1 1 A 65 65 LYS CA C 65 58.100 59.022 -0.922 1
1 785 . 15 1 1 A 65 65 LYS CB C 65 32.500 32.579 -0.079 1
1 789 . 15 1 1 A 65 65 LYS N N 65 118.900 119.848 -0.948 1
1 790 . 15 1 1 A 66 66 ARG H H 66 7.600 8.468 -0.868 1
1 791 . 15 1 1 A 66 66 ARG HA H 66 4.430 4.139 0.291 1
1 799 . 15 1 1 A 66 66 ARG CA C 66 56.600 57.936 -1.336 1
1 800 . 15 1 1 A 66 66 ARG CB C 66 30.400 29.482 0.918 1
1 803 . 15 1 1 A 66 66 ARG N N 66 115.800 119.380 -3.580 1
1 805 . 15 1 1 A 67 67 GLY H H 67 7.830 7.543 0.287 1
1 806 . 15 1 1 A 67 67 GLY HA2 H 67 4.010 4.054 -0.044 1
1 807 . 15 1 1 A 67 67 GLY HA3 H 67 3.980 4.058 -0.078 1
1 808 . 15 1 1 A 67 67 GLY CA C 67 45.700 45.654 0.046 1
1 809 . 15 1 1 A 67 67 GLY N N 67 107.400 108.973 -1.573 1
1 810 . 15 1 1 A 68 68 ALA H H 68 7.730 7.641 0.089 1
1 811 . 15 1 1 A 68 68 ALA HA H 68 4.980 4.645 0.335 1
1 815 . 15 1 1 A 68 68 ALA CA C 68 49.700 50.337 -0.637 1
1 816 . 15 1 1 A 68 68 ALA CB C 68 18.900 21.866 -2.966 1
1 817 . 15 1 1 A 68 68 ALA N N 68 122.500 120.817 1.683 1
1 818 . 15 1 1 A 69 69 PRO HA H 69 4.350 4.316 0.034 1
1 825 . 15 1 1 A 69 69 PRO CA C 69 65.400 64.697 0.703 1
1 826 . 15 1 1 A 69 69 PRO CB C 69 31.700 32.064 -0.364 1
1 829 . 15 1 1 A 70 70 SER H H 70 8.430 8.474 -0.044 1
1 830 . 15 1 1 A 70 70 SER HA H 70 4.250 4.222 0.028 1
1 833 . 15 1 1 A 70 70 SER CA C 70 61.000 61.238 -0.238 1
1 834 . 15 1 1 A 70 70 SER CB C 70 61.500 62.923 -1.423 1
1 835 . 15 1 1 A 70 70 SER N N 70 112.200 113.855 -1.655 1
1 836 . 15 1 1 A 71 71 ILE H H 71 7.430 8.016 -0.586 1
1 837 . 15 1 1 A 71 71 ILE HA H 71 3.980 3.678 0.302 1
1 847 . 15 1 1 A 71 71 ILE CA C 71 63.100 65.264 -2.164 1
1 848 . 15 1 1 A 71 71 ILE CB C 71 36.700 37.911 -1.211 1
1 852 . 15 1 1 A 71 71 ILE N N 71 122.000 122.461 -0.461 1
1 853 . 15 1 1 A 72 72 ALA H H 72 7.780 7.843 -0.063 1
1 854 . 15 1 1 A 72 72 ALA HA H 72 3.910 3.989 -0.079 1
1 858 . 15 1 1 A 72 72 ALA CA C 72 55.800 55.294 0.506 1
1 859 . 15 1 1 A 72 72 ALA CB C 72 17.900 17.888 0.012 1
1 860 . 15 1 1 A 72 72 ALA N N 72 126.100 122.359 3.741 1
1 861 . 15 1 1 A 73 73 ASN H H 73 8.180 7.930 0.250 1
1 862 . 15 1 1 A 73 73 ASN HA H 73 4.410 4.501 -0.091 1
1 867 . 15 1 1 A 73 73 ASN CA C 73 55.900 56.753 -0.853 1
1 868 . 15 1 1 A 73 73 ASN CB C 73 37.800 39.202 -1.402 1
1 869 . 15 1 1 A 73 73 ASN N N 73 116.700 116.928 -0.228 1
1 871 . 15 1 1 A 74 74 ASP H H 74 8.120 7.606 0.514 1
1 872 . 15 1 1 A 74 74 ASP HA H 74 4.410 4.441 -0.031 1
1 875 . 15 1 1 A 74 74 ASP CA C 74 57.500 57.329 0.171 1
1 876 . 15 1 1 A 74 74 ASP CB C 74 41.400 41.294 0.106 1
1 877 . 15 1 1 A 74 74 ASP N N 74 120.800 119.438 1.362 1
1 878 . 15 1 1 A 75 75 THR H H 75 8.360 8.443 -0.083 1
1 879 . 15 1 1 A 75 75 THR HA H 75 3.750 4.005 -0.255 1
1 884 . 15 1 1 A 75 75 THR CA C 75 68.800 66.772 2.028 1
1 885 . 15 1 1 A 75 75 THR CB C 75 67.700 67.879 -0.179 1
1 887 . 15 1 1 A 75 75 THR N N 75 116.300 116.734 -0.434 1
1 888 . 15 1 1 A 76 76 LEU H H 76 8.160 8.302 -0.142 1
1 889 . 15 1 1 A 76 76 LEU HA H 76 3.980 3.989 -0.009 1
1 899 . 15 1 1 A 76 76 LEU CA C 76 58.000 58.271 -0.271 1
1 900 . 15 1 1 A 76 76 LEU CB C 76 40.500 41.496 -0.996 1
1 904 . 15 1 1 A 76 76 LEU N N 76 121.000 121.715 -0.715 1
1 905 . 15 1 1 A 77 77 ARG H H 77 7.810 7.877 -0.067 1
1 906 . 15 1 1 A 77 77 ARG HA H 77 3.790 3.994 -0.204 1
1 914 . 15 1 1 A 77 77 ARG CA C 77 60.000 59.815 0.185 1
1 915 . 15 1 1 A 77 77 ARG CB C 77 29.400 29.744 -0.344 1
1 918 . 15 1 1 A 77 77 ARG N N 77 118.400 118.864 -0.464 1
1 920 . 15 1 1 A 78 78 TRP H H 78 7.870 8.231 -0.361 1
1 921 . 15 1 1 A 78 78 TRP HA H 78 4.490 4.276 0.214 1
1 930 . 15 1 1 A 78 78 TRP CA C 78 60.200 60.931 -0.731 1
1 931 . 15 1 1 A 78 78 TRP CB C 78 28.700 29.320 -0.620 1
1 937 . 15 1 1 A 78 78 TRP N N 78 118.300 122.302 -4.002 1
1 939 . 15 1 1 A 79 79 LEU H H 79 8.630 9.161 -0.531 1
1 940 . 15 1 1 A 79 79 LEU HA H 79 3.940 3.614 0.326 1
1 950 . 15 1 1 A 79 79 LEU CA C 79 58.200 57.810 0.390 1
1 951 . 15 1 1 A 79 79 LEU CB C 79 42.300 41.374 0.926 1
1 955 . 15 1 1 A 79 79 LEU N N 79 120.200 118.906 1.294 1
1 956 . 15 1 1 A 80 80 LYS H H 80 8.710 7.918 0.792 1
1 957 . 15 1 1 A 80 80 LYS HA H 80 3.880 4.097 -0.217 1
1 966 . 15 1 1 A 80 80 LYS CA C 80 61.300 59.415 1.885 1
1 967 . 15 1 1 A 80 80 LYS CB C 80 32.300 32.260 0.040 1
1 971 . 15 1 1 A 80 80 LYS N N 80 118.400 120.304 -1.904 1
1 972 . 15 1 1 A 81 81 ARG H H 81 7.800 7.877 -0.077 1
1 973 . 15 1 1 A 81 81 ARG HA H 81 4.030 4.062 -0.032 1
1 981 . 15 1 1 A 81 81 ARG CA C 81 59.700 59.338 0.362 1
1 982 . 15 1 1 A 81 81 ARG CB C 81 30.400 29.718 0.682 1
1 985 . 15 1 1 A 81 81 ARG N N 81 117.400 119.083 -1.683 1
1 987 . 15 1 1 A 82 82 MET H H 82 8.530 7.597 0.933 1
1 988 . 15 1 1 A 82 82 MET HA H 82 3.000 3.859 -0.859 1
1 996 . 15 1 1 A 82 82 MET CA C 82 58.900 58.102 0.798 1
1 997 . 15 1 1 A 82 82 MET CB C 82 32.300 31.337 0.963 1
1 1000 . 15 1 1 A 82 82 MET N N 82 121.400 119.004 2.396 1
1 1001 . 15 1 1 A 83 83 PHE H H 83 8.340 8.368 -0.028 1
1 1002 . 15 1 1 A 83 83 PHE HA H 83 4.340 4.256 0.084 1
1 1010 . 15 1 1 A 83 83 PHE CA C 83 61.900 61.564 0.336 1
1 1011 . 15 1 1 A 83 83 PHE CB C 83 38.800 38.544 0.256 1
1 1015 . 15 1 1 A 83 83 PHE N N 83 116.900 118.554 -1.654 1
1 1016 . 15 1 1 A 84 84 ASN H H 84 8.170 8.880 -0.710 1
1 1017 . 15 1 1 A 84 84 ASN HA H 84 4.670 4.465 0.205 1
1 1022 . 15 1 1 A 84 84 ASN CA C 84 55.800 56.218 -0.418 1
1 1023 . 15 1 1 A 84 84 ASN CB C 84 37.500 39.316 -1.816 1
1 1024 . 15 1 1 A 84 84 ASN N N 84 120.500 118.253 2.247 1
1 1026 . 15 1 1 A 85 85 TYR H H 85 7.910 8.700 -0.790 1
1 1027 . 15 1 1 A 85 85 TYR HA H 85 4.320 4.156 0.164 1
1 1034 . 15 1 1 A 85 85 TYR CA C 85 61.100 61.945 -0.845 1
1 1035 . 15 1 1 A 85 85 TYR CB C 85 37.900 38.889 -0.989 1
1 1038 . 15 1 1 A 85 85 TYR N N 85 124.000 121.140 2.860 1
1 1039 . 15 1 1 A 86 86 ALA H H 86 7.780 8.246 -0.466 1
1 1040 . 15 1 1 A 86 86 ALA HA H 86 3.670 4.196 -0.526 1
1 1044 . 15 1 1 A 86 86 ALA CA C 86 54.800 55.092 -0.292 1
1 1045 . 15 1 1 A 86 86 ALA CB C 86 18.100 18.314 -0.214 1
1 1046 . 15 1 1 A 86 86 ALA N N 86 120.500 121.769 -1.269 1
1 1047 . 15 1 1 A 87 87 ILE H H 87 7.880 7.677 0.203 1
1 1048 . 15 1 1 A 87 87 ILE HA H 87 4.240 4.235 0.005 1
1 1058 . 15 1 1 A 87 87 ILE CA C 87 63.900 65.288 -1.388 1
1 1059 . 15 1 1 A 87 87 ILE CB C 87 37.900 37.729 0.171 1
1 1063 . 15 1 1 A 87 87 ILE N N 87 120.400 119.421 0.979 1
1 1064 . 15 1 1 A 88 88 LYS H H 88 7.880 7.917 -0.037 1
1 1065 . 15 1 1 A 88 88 LYS HA H 88 3.900 3.843 0.057 1
1 1074 . 15 1 1 A 88 88 LYS CA C 88 58.900 60.383 -1.483 1
1 1075 . 15 1 1 A 88 88 LYS CB C 88 31.300 32.185 -0.885 1
1 1079 . 15 1 1 A 88 88 LYS N N 88 124.300 119.341 4.959 1
1 1080 . 15 1 1 A 89 89 ARG H H 89 7.350 7.537 -0.187 1
1 1081 . 15 1 1 A 89 89 ARG HA H 89 4.020 4.211 -0.191 1
1 1088 . 15 1 1 A 89 89 ARG CA C 89 54.600 55.261 -0.661 1
1 1089 . 15 1 1 A 89 89 ARG CB C 89 29.100 29.142 -0.042 1
1 1092 . 15 1 1 A 89 89 ARG N N 89 114.300 116.370 -2.070 1
1 1093 . 15 1 1 A 90 90 HIS H H 90 8.030 7.960 0.070 1
1 1094 . 15 1 1 A 90 90 HIS HA H 90 4.330 4.189 0.141 1
1 1098 . 15 1 1 A 90 90 HIS CA C 90 56.300 56.611 -0.311 1
1 1099 . 15 1 1 A 90 90 HIS CB C 90 25.200 29.113 -3.913 1
1 1101 . 15 1 1 A 90 90 HIS N N 90 113.200 117.543 -4.343 1
1 1102 . 15 1 1 A 91 91 ILE H H 91 8.370 8.203 0.167 1
1 1103 . 15 1 1 A 91 91 ILE HA H 91 3.830 3.805 0.025 1
1 1113 . 15 1 1 A 91 91 ILE CA C 91 63.600 62.865 0.735 1
1 1114 . 15 1 1 A 91 91 ILE CB C 91 39.300 38.597 0.703 1
1 1118 . 15 1 1 A 91 91 ILE N N 91 118.400 116.946 1.454 1
1 1119 . 15 1 1 A 92 92 ILE H H 92 6.860 7.066 -0.206 1
1 1120 . 15 1 1 A 92 92 ILE HA H 92 4.570 4.606 -0.036 1
1 1130 . 15 1 1 A 92 92 ILE CA C 92 58.800 58.166 0.634 1
1 1131 . 15 1 1 A 92 92 ILE CB C 92 42.700 41.040 1.660 1
1 1135 . 15 1 1 A 92 92 ILE N N 92 108.600 116.985 -8.385 1
1 1136 . 15 1 1 A 93 93 GLU H H 93 8.690 9.122 -0.432 1
1 1137 . 15 1 1 A 93 93 GLU HA H 93 4.470 4.433 0.037 1
1 1142 . 15 1 1 A 93 93 GLU CA C 93 56.400 57.430 -1.030 1
1 1143 . 15 1 1 A 93 93 GLU CB C 93 31.200 31.630 -0.430 1
1 1145 . 15 1 1 A 93 93 GLU N N 93 116.800 121.630 -4.830 1
1 1146 . 15 1 1 A 94 94 TYR H H 94 7.420 7.839 -0.419 1
1 1147 . 15 1 1 A 94 94 TYR HA H 94 4.710 4.821 -0.111 1
1 1154 . 15 1 1 A 94 94 TYR CA C 94 55.800 56.363 -0.563 1
1 1155 . 15 1 1 A 94 94 TYR CB C 94 40.600 41.845 -1.245 1
1 1158 . 15 1 1 A 94 94 TYR N N 94 117.900 118.964 -1.064 1
1 1159 . 15 1 1 A 95 95 ASN H H 95 8.960 8.129 0.831 1
1 1160 . 15 1 1 A 95 95 ASN HA H 95 4.550 4.926 -0.376 1
1 1165 . 15 1 1 A 95 95 ASN CA C 95 49.700 50.307 -0.607 1
1 1166 . 15 1 1 A 95 95 ASN CB C 95 39.200 39.457 -0.257 1
1 1167 . 15 1 1 A 95 95 ASN N N 95 122.500 123.835 -1.335 1
1 1169 . 15 1 1 A 96 96 PRO HA H 96 4.300 4.426 -0.126 1
1 1176 . 15 1 1 A 96 96 PRO CA C 96 64.000 63.680 0.320 1
1 1177 . 15 1 1 A 96 96 PRO CB C 96 31.100 31.504 -0.404 1
1 1180 . 15 1 1 A 97 97 ALA H H 97 8.090 7.994 0.096 1
1 1181 . 15 1 1 A 97 97 ALA HA H 97 4.540 5.124 -0.584 1
1 1185 . 15 1 1 A 97 97 ALA CA C 97 51.200 51.829 -0.629 1
1 1186 . 15 1 1 A 97 97 ALA CB C 97 18.900 19.834 -0.934 1
1 1187 . 15 1 1 A 97 97 ALA N N 97 118.400 121.636 -3.236 1
1 1188 . 15 1 1 A 98 98 ALA H H 98 7.330 7.429 -0.099 1
1 1189 . 15 1 1 A 98 98 ALA HA H 98 3.990 4.150 -0.160 1
1 1193 . 15 1 1 A 98 98 ALA CA C 98 54.700 54.811 -0.111 1
1 1194 . 15 1 1 A 98 98 ALA CB C 98 18.900 18.527 0.373 1
1 1195 . 15 1 1 A 98 98 ALA N N 98 120.500 121.171 -0.671 1
1 1196 . 15 1 1 A 99 99 ALA H H 99 8.020 7.656 0.364 1
1 1197 . 15 1 1 A 99 99 ALA HA H 99 4.180 4.372 -0.192 1
1 1201 . 15 1 1 A 99 99 ALA CA C 99 52.500 51.936 0.564 1
1 1202 . 15 1 1 A 99 99 ALA CB C 99 18.200 19.404 -1.204 1
1 1203 . 15 1 1 A 99 99 ALA N N 99 117.400 118.078 -0.678 1
1 1204 . 15 1 1 A 100 100 PHE H H 100 7.320 7.821 -0.501 1
1 1205 . 15 1 1 A 100 100 PHE HA H 100 4.360 4.790 -0.430 1
1 1210 . 15 1 1 A 100 100 PHE CA C 100 57.700 57.556 0.144 1
1 1211 . 15 1 1 A 100 100 PHE CB C 100 40.500 39.517 0.983 1
1 1213 . 15 1 1 A 100 100 PHE N N 100 117.400 118.521 -1.121 1
1 1214 . 15 1 1 A 101 101 ASP H H 101 8.520 9.003 -0.483 1
1 1215 . 15 1 1 A 101 101 ASP HA H 101 4.910 5.018 -0.108 1
1 1218 . 15 1 1 A 101 101 ASP CA C 101 51.400 50.910 0.490 1
1 1219 . 15 1 1 A 101 101 ASP CB C 101 41.400 43.384 -1.984 1
1 1220 . 15 1 1 A 101 101 ASP N N 101 122.600 123.351 -0.751 1
1 1221 . 15 1 1 A 102 102 PRO HA H 102 4.350 4.562 -0.212 1
1 1228 . 15 1 1 A 102 102 PRO CA C 102 63.400 63.504 -0.104 1
1 1229 . 15 1 1 A 102 102 PRO CB C 102 31.900 32.500 -0.600 1
1 1232 . 15 1 1 A 103 103 GLY H H 103 8.440 8.005 0.435 1
1 1233 . 15 1 1 A 103 103 GLY HA2 H 103 3.890 3.887 0.003 1
1 1234 . 15 1 1 A 103 103 GLY HA3 H 103 3.860 3.888 -0.028 1
1 1235 . 15 1 1 A 103 103 GLY CA C 103 45.100 45.907 -0.807 1
1 1236 . 15 1 1 A 103 103 GLY N N 103 108.300 108.996 -0.696 1
1 1237 . 15 1 1 A 104 104 ASP H H 104 8.100 8.537 -0.437 1
1 1238 . 15 1 1 A 104 104 ASP HA H 104 4.620 4.369 0.251 1
1 1241 . 15 1 1 A 104 104 ASP CA C 104 53.900 54.896 -0.996 1
1 1242 . 15 1 1 A 104 104 ASP CB C 104 40.700 39.257 1.443 1
1 1243 . 15 1 1 A 104 104 ASP N N 104 120.100 119.379 0.721 1
1 1244 . 15 1 1 A 105 105 ALA H H 105 8.360 8.349 0.011 1
1 1245 . 15 1 1 A 105 105 ALA HA H 105 4.270 4.650 -0.380 1
1 1249 . 15 1 1 A 105 105 ALA CA C 105 52.900 50.645 2.255 1
1 1250 . 15 1 1 A 105 105 ALA CB C 105 18.800 20.089 -1.289 1
1 1251 . 15 1 1 A 105 105 ALA N N 105 124.600 124.509 0.091 1
1 1252 . 15 1 1 A 106 106 GLY H H 106 8.470 8.429 0.041 1
1 1253 . 15 1 1 A 106 106 GLY HA2 H 106 3.930 4.129 -0.199 1
1 1254 . 15 1 1 A 106 106 GLY HA3 H 106 3.910 4.132 -0.222 1
1 1255 . 15 1 1 A 106 106 GLY CA C 106 45.400 44.651 0.749 1
1 1256 . 15 1 1 A 106 106 GLY N N 106 107.500 112.872 -5.372 1
1 1257 . 15 1 1 A 107 107 GLY H H 107 8.170 8.318 -0.148 1
1 1258 . 15 1 1 A 107 107 GLY HA2 H 107 3.950 4.112 -0.162 1
1 1259 . 15 1 1 A 107 107 GLY HA3 H 107 3.940 4.115 -0.175 1
1 1260 . 15 1 1 A 107 107 GLY CA C 107 45.300 45.335 -0.035 1
1 1261 . 15 1 1 A 107 107 GLY N N 107 108.600 110.831 -2.231 1
1 1262 . 15 1 1 A 108 108 LYS H H 108 8.160 8.154 0.006 1
1 1263 . 15 1 1 A 108 108 LYS HA H 108 4.260 4.307 -0.047 1
1 1272 . 15 1 1 A 108 108 LYS CA C 108 56.500 57.869 -1.369 1
1 1273 . 15 1 1 A 108 108 LYS CB C 108 32.800 31.748 1.052 1
1 1277 . 15 1 1 A 108 108 LYS N N 108 120.500 116.266 4.234 1
1 1278 . 15 1 1 A 109 109 LEU H H 109 8.220 8.490 -0.270 1
1 1279 . 15 1 1 A 109 109 LEU HA H 109 4.260 4.333 -0.073 1
1 1289 . 15 1 1 A 109 109 LEU CA C 109 55.000 56.385 -1.385 1
1 1290 . 15 1 1 A 109 109 LEU CB C 109 41.900 42.444 -0.544 1
1 1294 . 15 1 1 A 109 109 LEU N N 109 122.200 125.644 -3.444 1
1 1295 . 15 1 1 A 110 110 GLU H H 110 8.160 8.085 0.075 1
1 1296 . 15 1 1 A 110 110 GLU HA H 110 4.190 4.265 -0.075 1
1 1301 . 15 1 1 A 110 110 GLU CA C 110 56.000 58.557 -2.557 1
1 1302 . 15 1 1 A 110 110 GLU CB C 110 29.900 28.258 1.642 1
1 1304 . 15 1 1 A 110 110 GLU N N 110 121.000 117.912 3.088 1
1 1305 . 15 1 1 A 111 111 HIS H H 111 8.460 8.260 0.200 1
1 1306 . 15 1 1 A 111 111 HIS HA H 111 4.630 5.067 -0.437 1
1 1309 . 15 1 1 A 111 111 HIS CA C 111 54.900 54.844 0.056 1
1 1310 . 15 1 1 A 111 111 HIS CB C 111 28.700 31.794 -3.094 1
1 1311 . 15 1 1 A 111 111 HIS N N 111 118.900 114.916 3.984 1
1 1312 . 15 1 1 A 112 112 HIS H H 112 8.540 8.692 -0.152 1
1 1313 . 15 1 1 A 112 112 HIS HA H 112 4.640 4.547 0.093 1
1 1316 . 15 1 1 A 112 112 HIS CA C 112 55.100 57.148 -2.048 1
1 1317 . 15 1 1 A 112 112 HIS CB C 112 28.900 32.023 -3.123 1
1 1318 . 15 1 1 A 112 112 HIS N N 112 119.100 117.561 1.539 1
1 1319 . 15 1 1 A 113 113 HIS H H 113 8.630 7.910 0.720 1
1 1320 . 15 1 1 A 113 113 HIS HA H 113 4.670 4.961 -0.291 1
1 1323 . 15 1 1 A 113 113 HIS CA C 113 55.200 54.166 1.034 1
1 1324 . 15 1 1 A 113 113 HIS CB C 113 28.900 31.594 -2.694 1
1 1325 . 15 1 1 A 113 113 HIS N N 113 119.400 118.342 1.058 1
1 1326 . 15 1 1 A 114 114 HIS H H 114 8.670 8.886 -0.216 1
1 1327 . 15 1 1 A 114 114 HIS HA H 114 4.670 4.680 -0.010 1
1 1330 . 15 1 1 A 114 114 HIS CA C 114 55.200 57.027 -1.827 1
1 1331 . 15 1 1 A 114 114 HIS CB C 114 29.100 32.461 -3.361 1
1 1332 . 15 1 1 A 114 114 HIS N N 114 120.400 126.888 -6.488 1
1 1333 . 15 1 1 A 115 115 HIS H H 115 8.560 7.662 0.898 1
1 1334 . 15 1 1 A 115 115 HIS HA H 115 4.660 4.607 0.053 1
1 1337 . 15 1 1 A 115 115 HIS CA C 115 55.300 56.068 -0.768 1
1 1338 . 15 1 1 A 115 115 HIS CB C 115 29.300 32.527 -3.227 1
1 1339 . 15 1 1 A 115 115 HIS N N 115 120.600 116.293 4.307 1
1 5 . 16 1 1 A 2 2 ALA H H 2 8.190 8.742 -0.552 1
1 6 . 16 1 1 A 2 2 ALA HA H 2 4.510 4.812 -0.302 1
1 10 . 16 1 1 A 2 2 ALA CA C 2 51.900 51.823 0.077 1
1 11 . 16 1 1 A 2 2 ALA CB C 2 19.500 19.027 0.473 1
1 12 . 16 1 1 A 2 2 ALA N N 2 124.100 129.156 -5.056 1
1 13 . 16 1 1 A 3 3 GLU H H 3 8.740 8.769 -0.029 1
1 14 . 16 1 1 A 3 3 GLU HA H 3 4.380 4.862 -0.482 1
1 19 . 16 1 1 A 3 3 GLU CA C 3 56.000 55.529 0.471 1
1 20 . 16 1 1 A 3 3 GLU CB C 3 29.900 29.753 0.147 1
1 22 . 16 1 1 A 3 3 GLU N N 3 120.700 123.484 -2.784 1
1 23 . 16 1 1 A 4 4 LYS H H 4 8.580 8.678 -0.098 1
1 24 . 16 1 1 A 4 4 LYS HA H 4 4.280 4.618 -0.338 1
1 33 . 16 1 1 A 4 4 LYS CA C 4 56.600 57.900 -1.300 1
1 34 . 16 1 1 A 4 4 LYS CB C 4 32.600 34.528 -1.928 1
1 38 . 16 1 1 A 4 4 LYS N N 4 122.500 124.939 -2.439 1
1 39 . 16 1 1 A 5 5 ASN H H 5 8.560 7.978 0.582 1
1 40 . 16 1 1 A 5 5 ASN HA H 5 4.700 4.964 -0.264 1
1 45 . 16 1 1 A 5 5 ASN CA C 5 53.200 52.399 0.801 1
1 46 . 16 1 1 A 5 5 ASN CB C 5 38.900 39.134 -0.234 1
1 47 . 16 1 1 A 5 5 ASN N N 5 119.500 116.368 3.132 1
1 49 . 16 1 1 A 6 6 ALA H H 6 8.210 8.092 0.118 1
1 50 . 16 1 1 A 6 6 ALA HA H 6 4.520 4.394 0.126 1
1 54 . 16 1 1 A 6 6 ALA CA C 6 51.800 50.992 0.808 1
1 55 . 16 1 1 A 6 6 ALA CB C 6 19.600 19.244 0.356 1
1 56 . 16 1 1 A 6 6 ALA N N 6 124.100 123.242 0.858 1
1 57 . 16 1 1 A 7 7 TYR H H 7 8.740 6.909 1.831 1
1 58 . 16 1 1 A 7 7 TYR HA H 7 4.700 5.237 -0.537 1
1 65 . 16 1 1 A 7 7 TYR CA C 7 58.900 55.763 3.137 1
1 66 . 16 1 1 A 7 7 TYR CB C 7 40.300 41.500 -1.200 1
1 69 . 16 1 1 A 7 7 TYR N N 7 121.400 116.096 5.304 1
1 70 . 16 1 1 A 8 8 THR H H 8 8.170 8.947 -0.777 1
1 71 . 16 1 1 A 8 8 THR HA H 8 5.220 4.832 0.388 1
1 76 . 16 1 1 A 8 8 THR CA C 8 59.800 60.485 -0.685 1
1 77 . 16 1 1 A 8 8 THR CB C 8 71.600 71.982 -0.382 1
1 79 . 16 1 1 A 8 8 THR N N 8 113.700 112.917 0.783 1
1 80 . 16 1 1 A 9 9 VAL H H 9 8.990 9.135 -0.145 1
1 81 . 16 1 1 A 9 9 VAL HA H 9 3.370 3.926 -0.556 1
1 89 . 16 1 1 A 9 9 VAL CA C 9 66.700 65.062 1.638 1
1 90 . 16 1 1 A 9 9 VAL CB C 9 30.200 31.665 -1.465 1
1 93 . 16 1 1 A 9 9 VAL N N 9 121.400 119.113 2.287 1
1 94 . 16 1 1 A 10 10 ALA H H 10 9.340 8.257 1.083 1
1 95 . 16 1 1 A 10 10 ALA HA H 10 3.720 3.992 -0.272 1
1 99 . 16 1 1 A 10 10 ALA CA C 10 55.800 55.537 0.263 1
1 100 . 16 1 1 A 10 10 ALA CB C 10 18.200 17.780 0.420 1
1 101 . 16 1 1 A 10 10 ALA N N 10 122.000 124.368 -2.368 1
1 102 . 16 1 1 A 11 11 GLN H H 11 7.330 7.347 -0.017 1
1 103 . 16 1 1 A 11 11 GLN HA H 11 4.050 4.147 -0.097 1
1 110 . 16 1 1 A 11 11 GLN CA C 11 58.400 58.567 -0.167 1
1 111 . 16 1 1 A 11 11 GLN CB C 11 28.700 28.407 0.293 1
1 113 . 16 1 1 A 11 11 GLN N N 11 115.300 118.177 -2.877 1
1 115 . 16 1 1 A 12 12 LEU H H 12 8.510 8.267 0.243 1
1 116 . 16 1 1 A 12 12 LEU HA H 12 4.200 4.350 -0.150 1
1 126 . 16 1 1 A 12 12 LEU CA C 12 57.600 58.111 -0.511 1
1 127 . 16 1 1 A 12 12 LEU CB C 12 41.700 41.805 -0.105 1
1 131 . 16 1 1 A 12 12 LEU N N 12 121.500 122.818 -1.318 1
1 132 . 16 1 1 A 13 13 ALA H H 13 9.160 8.777 0.383 1
1 133 . 16 1 1 A 13 13 ALA HA H 13 3.990 4.201 -0.211 1
1 137 . 16 1 1 A 13 13 ALA CA C 13 55.400 55.237 0.163 1
1 138 . 16 1 1 A 13 13 ALA CB C 13 17.700 18.341 -0.641 1
1 139 . 16 1 1 A 13 13 ALA N N 13 121.000 120.952 0.048 1
1 140 . 16 1 1 A 14 14 ASP H H 14 7.920 8.020 -0.100 1
1 141 . 16 1 1 A 14 14 ASP HA H 14 4.480 4.742 -0.262 1
1 144 . 16 1 1 A 14 14 ASP CA C 14 57.200 57.974 -0.774 1
1 145 . 16 1 1 A 14 14 ASP CB C 14 39.500 42.011 -2.511 1
1 146 . 16 1 1 A 14 14 ASP N N 14 117.400 119.045 -1.645 1
1 147 . 16 1 1 A 15 15 GLU H H 15 8.210 7.683 0.527 1
1 148 . 16 1 1 A 15 15 GLU HA H 15 4.110 3.870 0.240 1
1 153 . 16 1 1 A 15 15 GLU CA C 15 59.800 58.920 0.880 1
1 154 . 16 1 1 A 15 15 GLU CB C 15 30.100 28.917 1.183 1
1 156 . 16 1 1 A 15 15 GLU N N 15 122.500 119.846 2.654 1
1 157 . 16 1 1 A 16 16 TYR H H 16 9.230 8.050 1.180 1
1 158 . 16 1 1 A 16 16 TYR HA H 16 3.180 3.764 -0.584 1
1 165 . 16 1 1 A 16 16 TYR CA C 16 61.100 61.271 -0.171 1
1 166 . 16 1 1 A 16 16 TYR CB C 16 38.300 38.190 0.110 1
1 169 . 16 1 1 A 16 16 TYR N N 16 119.400 120.936 -1.536 1
1 170 . 16 1 1 A 17 17 PHE H H 17 8.700 8.654 0.046 1
1 171 . 16 1 1 A 17 17 PHE HA H 17 3.480 4.037 -0.557 1
1 178 . 16 1 1 A 17 17 PHE CA C 17 61.600 59.875 1.725 1
1 179 . 16 1 1 A 17 17 PHE CB C 17 39.300 37.785 1.515 1
1 182 . 16 1 1 A 17 17 PHE N N 17 118.400 117.285 1.115 1
1 183 . 16 1 1 A 18 18 GLU H H 18 8.280 7.625 0.655 1
1 184 . 16 1 1 A 18 18 GLU HA H 18 3.840 3.233 0.607 1
1 189 . 16 1 1 A 18 18 GLU CA C 18 58.800 59.414 -0.614 1
1 190 . 16 1 1 A 18 18 GLU CB C 18 29.000 29.060 -0.060 1
1 192 . 16 1 1 A 18 18 GLU N N 18 118.500 119.652 -1.152 1
1 193 . 16 1 1 A 19 19 ARG H H 19 8.350 7.273 1.077 1
1 194 . 16 1 1 A 19 19 ARG HA H 19 4.200 3.991 0.209 1
1 202 . 16 1 1 A 19 19 ARG CA C 19 57.300 58.271 -0.971 1
1 203 . 16 1 1 A 19 19 ARG CB C 19 30.900 29.866 1.034 1
1 206 . 16 1 1 A 19 19 ARG N N 19 114.300 118.774 -4.474 1
1 208 . 16 1 1 A 20 20 MET H H 20 7.960 7.110 0.850 1
1 209 . 16 1 1 A 20 20 MET HA H 20 4.610 4.403 0.207 1
1 217 . 16 1 1 A 20 20 MET CA C 20 54.100 56.226 -2.126 1
1 218 . 16 1 1 A 20 20 MET CB C 20 31.800 33.669 -1.869 1
1 221 . 16 1 1 A 20 20 MET N N 20 112.400 116.112 -3.712 1
1 222 . 16 1 1 A 21 21 ILE H H 21 6.970 7.879 -0.909 1
1 223 . 16 1 1 A 21 21 ILE HA H 21 4.050 4.321 -0.271 1
1 233 . 16 1 1 A 21 21 ILE CA C 21 59.800 60.328 -0.528 1
1 234 . 16 1 1 A 21 21 ILE CB C 21 35.900 37.096 -1.196 1
1 238 . 16 1 1 A 21 21 ILE N N 21 117.900 116.731 1.169 1
1 239 . 16 1 1 A 22 22 ALA H H 22 7.700 7.909 -0.209 1
1 240 . 16 1 1 A 22 22 ALA HA H 22 3.600 4.280 -0.680 1
1 244 . 16 1 1 A 22 22 ALA CA C 22 53.900 50.784 3.116 1
1 245 . 16 1 1 A 22 22 ALA CB C 22 18.000 21.568 -3.568 1
1 246 . 16 1 1 A 22 22 ALA N N 22 123.500 125.145 -1.645 1
1 247 . 16 1 1 A 23 23 GLY H H 23 8.460 8.654 -0.194 1
1 248 . 16 1 1 A 23 23 GLY HA2 H 23 3.960 4.045 -0.085 1
1 249 . 16 1 1 A 23 23 GLY HA3 H 23 3.820 4.069 -0.249 1
1 250 . 16 1 1 A 23 23 GLY CA C 23 45.600 46.340 -0.740 1
1 251 . 16 1 1 A 23 23 GLY N N 23 109.600 108.523 1.077 1
1 252 . 16 1 1 A 24 24 ARG H H 24 7.830 7.993 -0.163 1
1 253 . 16 1 1 A 24 24 ARG HA H 24 4.440 4.760 -0.320 1
1 261 . 16 1 1 A 24 24 ARG CA C 24 56.700 54.736 1.964 1
1 262 . 16 1 1 A 24 24 ARG CB C 24 32.400 33.285 -0.885 1
1 265 . 16 1 1 A 24 24 ARG N N 24 118.400 115.627 2.773 1
1 267 . 16 1 1 A 25 25 TRP H H 25 8.240 8.370 -0.130 1
1 268 . 16 1 1 A 25 25 TRP HA H 25 4.640 4.992 -0.352 1
1 277 . 16 1 1 A 25 25 TRP CA C 25 56.900 56.807 0.093 1
1 278 . 16 1 1 A 25 25 TRP CB C 25 31.400 31.218 0.182 1
1 284 . 16 1 1 A 25 25 TRP N N 25 121.500 120.116 1.384 1
1 286 . 16 1 1 A 26 26 LYS H H 26 7.890 6.894 0.996 1
1 287 . 16 1 1 A 26 26 LYS HA H 26 3.910 3.608 0.302 1
1 296 . 16 1 1 A 26 26 LYS CA C 26 56.800 56.885 -0.085 1
1 297 . 16 1 1 A 26 26 LYS CB C 26 32.200 30.948 1.252 1
1 301 . 16 1 1 A 26 26 LYS N N 26 122.500 115.331 7.169 1
1 302 . 16 1 1 A 27 27 HIS H H 27 7.840 8.313 -0.473 1
1 303 . 16 1 1 A 27 27 HIS HA H 27 5.230 4.243 0.987 1
1 307 . 16 1 1 A 27 27 HIS CA C 27 53.200 56.350 -3.150 1
1 308 . 16 1 1 A 27 27 HIS CB C 27 28.200 28.089 0.111 1
1 310 . 16 1 1 A 27 27 HIS N N 27 112.700 117.824 -5.124 1
1 311 . 16 1 1 A 28 28 PRO HA H 28 4.120 4.726 -0.606 1
1 318 . 16 1 1 A 28 28 PRO CA C 28 65.400 65.351 0.049 1
1 319 . 16 1 1 A 28 28 PRO CB C 28 32.200 32.161 0.039 1
1 322 . 16 1 1 A 29 29 ASN H H 29 8.840 8.961 -0.121 1
1 323 . 16 1 1 A 29 29 ASN HA H 29 4.470 4.505 -0.035 1
1 328 . 16 1 1 A 29 29 ASN CA C 29 56.100 54.847 1.253 1
1 329 . 16 1 1 A 29 29 ASN CB C 29 37.000 37.014 -0.014 1
1 330 . 16 1 1 A 29 29 ASN N N 29 116.300 114.467 1.833 1
1 332 . 16 1 1 A 30 30 ILE H H 30 7.630 7.924 -0.294 1
1 333 . 16 1 1 A 30 30 ILE HA H 30 3.910 3.858 0.052 1
1 343 . 16 1 1 A 30 30 ILE CA C 30 63.700 63.579 0.121 1
1 344 . 16 1 1 A 30 30 ILE CB C 30 37.300 37.862 -0.562 1
1 348 . 16 1 1 A 30 30 ILE N N 30 121.500 122.964 -1.464 1
1 349 . 16 1 1 A 31 31 VAL H H 31 6.920 7.856 -0.936 1
1 350 . 16 1 1 A 31 31 VAL HA H 31 3.020 3.657 -0.637 1
1 358 . 16 1 1 A 31 31 VAL CA C 31 65.500 64.807 0.693 1
1 359 . 16 1 1 A 31 31 VAL CB C 31 30.900 31.561 -0.661 1
1 362 . 16 1 1 A 31 31 VAL N N 31 119.900 120.536 -0.636 1
1 363 . 16 1 1 A 32 32 ARG H H 32 8.080 8.014 0.066 1
1 364 . 16 1 1 A 32 32 ARG HA H 32 3.380 3.740 -0.360 1
1 371 . 16 1 1 A 32 32 ARG CA C 32 58.900 59.353 -0.453 1
1 372 . 16 1 1 A 32 32 ARG CB C 32 28.800 29.734 -0.934 1
1 375 . 16 1 1 A 32 32 ARG N N 32 118.900 121.731 -2.831 1
1 376 . 16 1 1 A 33 33 SER H H 33 7.840 8.549 -0.709 1
1 377 . 16 1 1 A 33 33 SER HA H 33 4.130 4.088 0.042 1
1 380 . 16 1 1 A 33 33 SER CA C 33 61.900 61.258 0.642 1
1 381 . 16 1 1 A 33 33 SER CB C 33 62.700 62.306 0.394 1
1 382 . 16 1 1 A 33 33 SER N N 33 113.400 115.267 -1.867 1
1 383 . 16 1 1 A 34 34 ARG H H 34 7.610 7.921 -0.311 1
1 384 . 16 1 1 A 34 34 ARG HA H 34 4.370 4.018 0.352 1
1 392 . 16 1 1 A 34 34 ARG CA C 34 58.100 58.861 -0.761 1
1 393 . 16 1 1 A 34 34 ARG CB C 34 29.600 29.767 -0.167 1
1 396 . 16 1 1 A 34 34 ARG N N 34 119.900 120.388 -0.488 1
1 398 . 16 1 1 A 35 35 ILE H H 35 8.070 7.720 0.350 1
1 399 . 16 1 1 A 35 35 ILE HA H 35 3.470 3.531 -0.061 1
1 409 . 16 1 1 A 35 35 ILE CA C 35 65.800 65.134 0.666 1
1 410 . 16 1 1 A 35 35 ILE CB C 35 38.200 37.675 0.525 1
1 414 . 16 1 1 A 35 35 ILE N N 35 118.600 121.119 -2.519 1
1 415 . 16 1 1 A 36 36 GLU H H 36 8.710 8.377 0.333 1
1 416 . 16 1 1 A 36 36 GLU HA H 36 3.880 4.041 -0.161 1
1 421 . 16 1 1 A 36 36 GLU CA C 36 58.400 59.485 -1.085 1
1 422 . 16 1 1 A 36 36 GLU CB C 36 30.000 29.221 0.779 1
1 424 . 16 1 1 A 36 36 GLU N N 36 116.800 118.927 -2.127 1
1 425 . 16 1 1 A 37 37 LYS H H 37 8.550 7.879 0.671 1
1 426 . 16 1 1 A 37 37 LYS HA H 37 4.300 4.397 -0.097 1
1 435 . 16 1 1 A 37 37 LYS CA C 37 57.300 57.822 -0.522 1
1 436 . 16 1 1 A 37 37 LYS CB C 37 33.000 33.641 -0.641 1
1 440 . 16 1 1 A 37 37 LYS N N 37 114.300 120.262 -5.962 1
1 441 . 16 1 1 A 38 38 ASP H H 38 7.480 8.373 -0.893 1
1 442 . 16 1 1 A 38 38 ASP HA H 38 4.970 4.416 0.554 1
1 445 . 16 1 1 A 38 38 ASP CA C 38 55.300 56.796 -1.496 1
1 446 . 16 1 1 A 38 38 ASP CB C 38 42.700 41.030 1.670 1
1 447 . 16 1 1 A 38 38 ASP N N 38 113.900 119.584 -5.684 1
1 448 . 16 1 1 A 39 39 ILE H H 39 7.540 7.322 0.218 1
1 449 . 16 1 1 A 39 39 ILE HA H 39 3.940 4.016 -0.076 1
1 459 . 16 1 1 A 39 39 ILE CA C 39 64.700 63.207 1.493 1
1 460 . 16 1 1 A 39 39 ILE CB C 39 39.000 39.155 -0.155 1
1 464 . 16 1 1 A 39 39 ILE N N 39 116.800 117.408 -0.608 1
1 465 . 16 1 1 A 40 40 LYS H H 40 8.840 7.811 1.029 1
1 466 . 16 1 1 A 40 40 LYS HA H 40 3.650 4.675 -1.025 1
1 475 . 16 1 1 A 40 40 LYS CA C 40 50.600 53.503 -2.903 1
1 476 . 16 1 1 A 40 40 LYS CB C 40 30.400 32.539 -2.139 1
1 480 . 16 1 1 A 40 40 LYS N N 40 118.400 117.723 0.677 1
1 481 . 16 1 1 A 41 41 PRO HA H 41 4.280 4.310 -0.030 1
1 488 . 16 1 1 A 41 41 PRO CA C 41 65.700 65.826 -0.126 1
1 489 . 16 1 1 A 41 41 PRO CB C 41 30.700 31.588 -0.888 1
1 492 . 16 1 1 A 42 42 ALA H H 42 6.660 8.314 -1.654 1
1 493 . 16 1 1 A 42 42 ALA HA H 42 4.430 4.509 -0.079 1
1 497 . 16 1 1 A 42 42 ALA CA C 42 53.800 51.624 2.176 1
1 498 . 16 1 1 A 42 42 ALA CB C 42 20.800 20.212 0.588 1
1 499 . 16 1 1 A 42 42 ALA N N 42 115.300 117.958 -2.658 1
1 500 . 16 1 1 A 43 43 ILE H H 43 7.540 7.772 -0.232 1
1 501 . 16 1 1 A 43 43 ILE HA H 43 4.810 4.426 0.384 1
1 511 . 16 1 1 A 43 43 ILE CA C 43 60.600 60.002 0.598 1
1 512 . 16 1 1 A 43 43 ILE CB C 43 41.200 37.661 3.539 1
1 516 . 16 1 1 A 43 43 ILE N N 43 105.000 115.752 -10.752 1
1 517 . 16 1 1 A 44 44 GLY H H 44 8.500 8.699 -0.199 1
1 518 . 16 1 1 A 44 44 GLY HA2 H 44 4.170 3.835 0.335 1
1 519 . 16 1 1 A 44 44 GLY HA3 H 44 3.430 3.839 -0.409 1
1 520 . 16 1 1 A 44 44 GLY CA C 44 47.300 46.739 0.561 1
1 521 . 16 1 1 A 44 44 GLY N N 44 109.600 112.087 -2.487 1
1 522 . 16 1 1 A 45 45 SER H H 45 8.120 7.978 0.142 1
1 523 . 16 1 1 A 45 45 SER HA H 45 4.440 4.678 -0.238 1
1 526 . 16 1 1 A 45 45 SER CA C 45 58.600 58.261 0.339 1
1 527 . 16 1 1 A 45 45 SER CB C 45 63.400 63.015 0.385 1
1 528 . 16 1 1 A 45 45 SER N N 45 110.400 116.775 -6.375 1
1 529 . 16 1 1 A 46 46 LEU H H 46 7.480 7.450 0.030 1
1 530 . 16 1 1 A 46 46 LEU HA H 46 4.180 4.611 -0.431 1
1 540 . 16 1 1 A 46 46 LEU CA C 46 54.800 54.283 0.517 1
1 541 . 16 1 1 A 46 46 LEU CB C 46 41.700 43.381 -1.681 1
1 545 . 16 1 1 A 46 46 LEU N N 46 122.600 123.829 -1.229 1
1 546 . 16 1 1 A 47 47 LYS H H 47 8.790 8.559 0.231 1
1 547 . 16 1 1 A 47 47 LYS HA H 47 4.460 4.196 0.264 1
1 556 . 16 1 1 A 47 47 LYS CA C 47 56.700 56.802 -0.102 1
1 557 . 16 1 1 A 47 47 LYS CB C 47 31.100 33.577 -2.477 1
1 561 . 16 1 1 A 47 47 LYS N N 47 120.800 127.897 -7.097 1
1 562 . 16 1 1 A 48 48 VAL H H 48 8.600 8.797 -0.197 1
1 563 . 16 1 1 A 48 48 VAL HA H 48 3.470 3.800 -0.330 1
1 571 . 16 1 1 A 48 48 VAL CA C 48 66.900 66.230 0.670 1
1 572 . 16 1 1 A 48 48 VAL CB C 48 31.000 31.741 -0.741 1
1 575 . 16 1 1 A 48 48 VAL N N 48 123.000 124.933 -1.933 1
1 576 . 16 1 1 A 49 49 GLU H H 49 9.360 8.103 1.257 1
1 577 . 16 1 1 A 49 49 GLU HA H 49 4.180 4.042 0.138 1
1 582 . 16 1 1 A 49 49 GLU CA C 49 57.600 58.845 -1.245 1
1 583 . 16 1 1 A 49 49 GLU CB C 49 28.500 29.205 -0.705 1
1 585 . 16 1 1 A 49 49 GLU N N 49 115.300 121.007 -5.707 1
1 586 . 16 1 1 A 50 50 ASP H H 50 7.840 8.191 -0.351 1
1 587 . 16 1 1 A 50 50 ASP HA H 50 4.840 4.689 0.151 1
1 590 . 16 1 1 A 50 50 ASP CA C 50 53.800 53.703 0.097 1
1 591 . 16 1 1 A 50 50 ASP CB C 50 41.400 41.238 0.162 1
1 592 . 16 1 1 A 50 50 ASP N N 50 118.900 118.331 0.569 1
1 593 . 16 1 1 A 51 51 VAL H H 51 7.150 7.099 0.051 1
1 594 . 16 1 1 A 51 51 VAL HA H 51 3.950 4.258 -0.308 1
1 602 . 16 1 1 A 51 51 VAL CA C 51 63.700 61.565 2.135 1
1 603 . 16 1 1 A 51 51 VAL CB C 51 30.900 31.159 -0.259 1
1 606 . 16 1 1 A 51 51 VAL N N 51 119.900 119.300 0.600 1
1 607 . 16 1 1 A 52 52 LYS H H 52 11.840 8.393 3.447 1
1 608 . 16 1 1 A 52 52 LYS HA H 52 4.980 4.696 0.284 1
1 617 . 16 1 1 A 52 52 LYS CA C 52 52.800 54.329 -1.529 1
1 618 . 16 1 1 A 52 52 LYS CB C 52 33.100 32.686 0.414 1
1 622 . 16 1 1 A 52 52 LYS N N 52 133.900 126.557 7.343 1
1 623 . 16 1 1 A 53 53 PRO HA H 53 4.370 4.347 0.023 1
1 630 . 16 1 1 A 53 53 PRO CA C 53 66.600 65.781 0.819 1
1 631 . 16 1 1 A 53 53 PRO CB C 53 31.600 31.888 -0.288 1
1 634 . 16 1 1 A 54 54 ARG H H 54 8.180 8.357 -0.177 1
1 635 . 16 1 1 A 54 54 ARG HA H 54 4.200 4.056 0.144 1
1 643 . 16 1 1 A 54 54 ARG CA C 54 58.300 58.853 -0.553 1
1 644 . 16 1 1 A 54 54 ARG CB C 54 28.700 29.365 -0.665 1
1 647 . 16 1 1 A 54 54 ARG N N 54 113.800 117.941 -4.141 1
1 649 . 16 1 1 A 55 55 HIS H H 55 7.650 8.058 -0.408 1
1 650 . 16 1 1 A 55 55 HIS HA H 55 4.430 4.432 -0.002 1
1 655 . 16 1 1 A 55 55 HIS CA C 55 60.500 59.615 0.885 1
1 656 . 16 1 1 A 55 55 HIS CB C 55 31.400 30.206 1.194 1
1 659 . 16 1 1 A 55 55 HIS N N 55 118.400 118.120 0.280 1
1 660 . 16 1 1 A 56 56 ILE H H 56 7.280 8.151 -0.871 1
1 661 . 16 1 1 A 56 56 ILE HA H 56 3.480 3.652 -0.172 1
1 671 . 16 1 1 A 56 56 ILE CA C 56 61.900 64.598 -2.698 1
1 672 . 16 1 1 A 56 56 ILE CB C 56 33.900 36.616 -2.716 1
1 676 . 16 1 1 A 56 56 ILE N N 56 117.400 119.806 -2.406 1
1 677 . 16 1 1 A 57 57 ASP H H 57 8.010 8.672 -0.662 1
1 678 . 16 1 1 A 57 57 ASP HA H 57 4.220 4.428 -0.208 1
1 681 . 16 1 1 A 57 57 ASP CA C 57 57.200 57.679 -0.479 1
1 682 . 16 1 1 A 57 57 ASP CB C 57 40.900 41.912 -1.012 1
1 683 . 16 1 1 A 57 57 ASP N N 57 119.400 122.202 -2.802 1
1 684 . 16 1 1 A 58 58 ASP H H 58 8.000 8.055 -0.055 1
1 685 . 16 1 1 A 58 58 ASP HA H 58 4.380 4.412 -0.032 1
1 688 . 16 1 1 A 58 58 ASP CA C 58 57.600 56.893 0.707 1
1 689 . 16 1 1 A 58 58 ASP CB C 58 39.200 40.700 -1.500 1
1 690 . 16 1 1 A 58 58 ASP N N 58 117.400 119.873 -2.473 1
1 691 . 16 1 1 A 59 59 VAL H H 59 7.800 7.521 0.279 1
1 692 . 16 1 1 A 59 59 VAL HA H 59 3.620 3.799 -0.179 1
1 700 . 16 1 1 A 59 59 VAL CA C 59 66.200 65.536 0.664 1
1 701 . 16 1 1 A 59 59 VAL CB C 59 31.400 31.531 -0.131 1
1 704 . 16 1 1 A 59 59 VAL N N 59 121.200 117.742 3.458 1
1 705 . 16 1 1 A 60 60 LEU H H 60 8.030 8.214 -0.184 1
1 706 . 16 1 1 A 60 60 LEU HA H 60 3.870 3.886 -0.016 1
1 716 . 16 1 1 A 60 60 LEU CA C 60 58.000 57.867 0.133 1
1 717 . 16 1 1 A 60 60 LEU CB C 60 40.300 40.938 -0.638 1
1 721 . 16 1 1 A 60 60 LEU N N 60 118.900 121.629 -2.729 1
1 722 . 16 1 1 A 61 61 LYS H H 61 8.710 8.198 0.512 1
1 723 . 16 1 1 A 61 61 LYS HA H 61 3.920 4.017 -0.097 1
1 732 . 16 1 1 A 61 61 LYS CA C 61 59.600 58.912 0.688 1
1 733 . 16 1 1 A 61 61 LYS CB C 61 32.500 31.917 0.583 1
1 737 . 16 1 1 A 61 61 LYS N N 61 118.300 118.054 0.246 1
1 738 . 16 1 1 A 62 62 ALA H H 62 7.590 7.900 -0.310 1
1 739 . 16 1 1 A 62 62 ALA HA H 62 4.170 4.087 0.083 1
1 743 . 16 1 1 A 62 62 ALA CA C 62 55.100 54.881 0.219 1
1 744 . 16 1 1 A 62 62 ALA CB C 62 17.900 18.159 -0.259 1
1 745 . 16 1 1 A 62 62 ALA N N 62 121.000 121.636 -0.636 1
1 746 . 16 1 1 A 63 63 VAL H H 63 8.090 8.131 -0.041 1
1 747 . 16 1 1 A 63 63 VAL HA H 63 3.710 3.819 -0.109 1
1 755 . 16 1 1 A 63 63 VAL CA C 63 65.700 65.219 0.481 1
1 756 . 16 1 1 A 63 63 VAL CB C 63 31.700 31.444 0.256 1
1 759 . 16 1 1 A 63 63 VAL N N 63 118.000 116.913 1.087 1
1 760 . 16 1 1 A 64 64 MET H H 64 8.360 7.569 0.791 1
1 761 . 16 1 1 A 64 64 MET HA H 64 4.110 4.189 -0.079 1
1 769 . 16 1 1 A 64 64 MET CA C 64 57.600 58.446 -0.846 1
1 770 . 16 1 1 A 64 64 MET CB C 64 31.700 33.108 -1.408 1
1 773 . 16 1 1 A 64 64 MET N N 64 119.400 120.206 -0.806 1
1 774 . 16 1 1 A 65 65 LYS H H 65 7.660 7.567 0.093 1
1 775 . 16 1 1 A 65 65 LYS HA H 65 4.170 4.057 0.113 1
1 784 . 16 1 1 A 65 65 LYS CA C 65 58.100 59.353 -1.253 1
1 785 . 16 1 1 A 65 65 LYS CB C 65 32.500 32.108 0.392 1
1 789 . 16 1 1 A 65 65 LYS N N 65 118.900 118.019 0.881 1
1 790 . 16 1 1 A 66 66 ARG H H 66 7.600 8.429 -0.829 1
1 791 . 16 1 1 A 66 66 ARG HA H 66 4.430 4.091 0.339 1
1 799 . 16 1 1 A 66 66 ARG CA C 66 56.600 58.434 -1.834 1
1 800 . 16 1 1 A 66 66 ARG CB C 66 30.400 29.867 0.533 1
1 803 . 16 1 1 A 66 66 ARG N N 66 115.800 119.552 -3.752 1
1 805 . 16 1 1 A 67 67 GLY H H 67 7.830 7.544 0.286 1
1 806 . 16 1 1 A 67 67 GLY HA2 H 67 4.010 3.941 0.069 1
1 807 . 16 1 1 A 67 67 GLY HA3 H 67 3.980 3.945 0.035 1
1 808 . 16 1 1 A 67 67 GLY CA C 67 45.700 45.626 0.074 1
1 809 . 16 1 1 A 67 67 GLY N N 67 107.400 108.691 -1.291 1
1 810 . 16 1 1 A 68 68 ALA H H 68 7.730 7.570 0.160 1
1 811 . 16 1 1 A 68 68 ALA HA H 68 4.980 4.547 0.433 1
1 815 . 16 1 1 A 68 68 ALA CA C 68 49.700 50.372 -0.672 1
1 816 . 16 1 1 A 68 68 ALA CB C 68 18.900 21.551 -2.651 1
1 817 . 16 1 1 A 68 68 ALA N N 68 122.500 120.414 2.086 1
1 818 . 16 1 1 A 69 69 PRO HA H 69 4.350 4.188 0.162 1
1 825 . 16 1 1 A 69 69 PRO CA C 69 65.400 64.942 0.458 1
1 826 . 16 1 1 A 69 69 PRO CB C 69 31.700 31.992 -0.292 1
1 829 . 16 1 1 A 70 70 SER H H 70 8.430 8.318 0.112 1
1 830 . 16 1 1 A 70 70 SER HA H 70 4.250 4.212 0.038 1
1 833 . 16 1 1 A 70 70 SER CA C 70 61.000 61.608 -0.608 1
1 834 . 16 1 1 A 70 70 SER CB C 70 61.500 62.821 -1.321 1
1 835 . 16 1 1 A 70 70 SER N N 70 112.200 114.115 -1.915 1
1 836 . 16 1 1 A 71 71 ILE H H 71 7.430 7.701 -0.271 1
1 837 . 16 1 1 A 71 71 ILE HA H 71 3.980 3.588 0.392 1
1 847 . 16 1 1 A 71 71 ILE CA C 71 63.100 65.506 -2.406 1
1 848 . 16 1 1 A 71 71 ILE CB C 71 36.700 37.912 -1.212 1
1 852 . 16 1 1 A 71 71 ILE N N 71 122.000 121.976 0.024 1
1 853 . 16 1 1 A 72 72 ALA H H 72 7.780 7.788 -0.008 1
1 854 . 16 1 1 A 72 72 ALA HA H 72 3.910 3.965 -0.055 1
1 858 . 16 1 1 A 72 72 ALA CA C 72 55.800 55.438 0.362 1
1 859 . 16 1 1 A 72 72 ALA CB C 72 17.900 17.896 0.004 1
1 860 . 16 1 1 A 72 72 ALA N N 72 126.100 122.338 3.762 1
1 861 . 16 1 1 A 73 73 ASN H H 73 8.180 8.019 0.161 1
1 862 . 16 1 1 A 73 73 ASN HA H 73 4.410 4.443 -0.033 1
1 867 . 16 1 1 A 73 73 ASN CA C 73 55.900 56.936 -1.036 1
1 868 . 16 1 1 A 73 73 ASN CB C 73 37.800 39.516 -1.716 1
1 869 . 16 1 1 A 73 73 ASN N N 73 116.700 116.892 -0.192 1
1 871 . 16 1 1 A 74 74 ASP H H 74 8.120 7.693 0.427 1
1 872 . 16 1 1 A 74 74 ASP HA H 74 4.410 4.532 -0.122 1
1 875 . 16 1 1 A 74 74 ASP CA C 74 57.500 57.082 0.418 1
1 876 . 16 1 1 A 74 74 ASP CB C 74 41.400 40.430 0.970 1
1 877 . 16 1 1 A 74 74 ASP N N 74 120.800 119.083 1.717 1
1 878 . 16 1 1 A 75 75 THR H H 75 8.360 8.437 -0.077 1
1 879 . 16 1 1 A 75 75 THR HA H 75 3.750 4.037 -0.287 1
1 884 . 16 1 1 A 75 75 THR CA C 75 68.800 67.459 1.341 1
1 885 . 16 1 1 A 75 75 THR CB C 75 67.700 67.668 0.032 1
1 887 . 16 1 1 A 75 75 THR N N 75 116.300 117.850 -1.550 1
1 888 . 16 1 1 A 76 76 LEU H H 76 8.160 8.733 -0.573 1
1 889 . 16 1 1 A 76 76 LEU HA H 76 3.980 3.966 0.014 1
1 899 . 16 1 1 A 76 76 LEU CA C 76 58.000 58.295 -0.295 1
1 900 . 16 1 1 A 76 76 LEU CB C 76 40.500 41.523 -1.023 1
1 904 . 16 1 1 A 76 76 LEU N N 76 121.000 121.228 -0.228 1
1 905 . 16 1 1 A 77 77 ARG H H 77 7.810 8.046 -0.236 1
1 906 . 16 1 1 A 77 77 ARG HA H 77 3.790 4.026 -0.236 1
1 914 . 16 1 1 A 77 77 ARG CA C 77 60.000 59.895 0.105 1
1 915 . 16 1 1 A 77 77 ARG CB C 77 29.400 29.966 -0.566 1
1 918 . 16 1 1 A 77 77 ARG N N 77 118.400 118.143 0.257 1
1 920 . 16 1 1 A 78 78 TRP H H 78 7.870 7.887 -0.017 1
1 921 . 16 1 1 A 78 78 TRP HA H 78 4.490 4.443 0.047 1
1 930 . 16 1 1 A 78 78 TRP CA C 78 60.200 60.935 -0.735 1
1 931 . 16 1 1 A 78 78 TRP CB C 78 28.700 30.038 -1.338 1
1 937 . 16 1 1 A 78 78 TRP N N 78 118.300 122.095 -3.795 1
1 939 . 16 1 1 A 79 79 LEU H H 79 8.630 9.126 -0.496 1
1 940 . 16 1 1 A 79 79 LEU HA H 79 3.940 3.798 0.142 1
1 950 . 16 1 1 A 79 79 LEU CA C 79 58.200 58.122 0.078 1
1 951 . 16 1 1 A 79 79 LEU CB C 79 42.300 41.491 0.809 1
1 955 . 16 1 1 A 79 79 LEU N N 79 120.200 120.076 0.124 1
1 956 . 16 1 1 A 80 80 LYS H H 80 8.710 8.468 0.242 1
1 957 . 16 1 1 A 80 80 LYS HA H 80 3.880 4.059 -0.179 1
1 966 . 16 1 1 A 80 80 LYS CA C 80 61.300 59.380 1.920 1
1 967 . 16 1 1 A 80 80 LYS CB C 80 32.300 32.240 0.060 1
1 971 . 16 1 1 A 80 80 LYS N N 80 118.400 119.590 -1.190 1
1 972 . 16 1 1 A 81 81 ARG H H 81 7.800 7.854 -0.054 1
1 973 . 16 1 1 A 81 81 ARG HA H 81 4.030 3.989 0.041 1
1 981 . 16 1 1 A 81 81 ARG CA C 81 59.700 59.515 0.185 1
1 982 . 16 1 1 A 81 81 ARG CB C 81 30.400 29.886 0.514 1
1 985 . 16 1 1 A 81 81 ARG N N 81 117.400 118.672 -1.272 1
1 987 . 16 1 1 A 82 82 MET H H 82 8.530 7.945 0.585 1
1 988 . 16 1 1 A 82 82 MET HA H 82 3.000 3.019 -0.019 1
1 996 . 16 1 1 A 82 82 MET CA C 82 58.900 58.150 0.750 1
1 997 . 16 1 1 A 82 82 MET CB C 82 32.300 31.185 1.115 1
1 1000 . 16 1 1 A 82 82 MET N N 82 121.400 118.497 2.903 1
1 1001 . 16 1 1 A 83 83 PHE H H 83 8.340 7.980 0.360 1
1 1002 . 16 1 1 A 83 83 PHE HA H 83 4.340 4.258 0.082 1
1 1010 . 16 1 1 A 83 83 PHE CA C 83 61.900 61.240 0.660 1
1 1011 . 16 1 1 A 83 83 PHE CB C 83 38.800 37.916 0.884 1
1 1015 . 16 1 1 A 83 83 PHE N N 83 116.900 117.720 -0.820 1
1 1016 . 16 1 1 A 84 84 ASN H H 84 8.170 8.548 -0.378 1
1 1017 . 16 1 1 A 84 84 ASN HA H 84 4.670 4.470 0.200 1
1 1022 . 16 1 1 A 84 84 ASN CA C 84 55.800 56.239 -0.439 1
1 1023 . 16 1 1 A 84 84 ASN CB C 84 37.500 38.377 -0.877 1
1 1024 . 16 1 1 A 84 84 ASN N N 84 120.500 119.279 1.221 1
1 1026 . 16 1 1 A 85 85 TYR H H 85 7.910 8.331 -0.421 1
1 1027 . 16 1 1 A 85 85 TYR HA H 85 4.320 4.100 0.220 1
1 1034 . 16 1 1 A 85 85 TYR CA C 85 61.100 61.788 -0.688 1
1 1035 . 16 1 1 A 85 85 TYR CB C 85 37.900 38.511 -0.611 1
1 1038 . 16 1 1 A 85 85 TYR N N 85 124.000 120.578 3.422 1
1 1039 . 16 1 1 A 86 86 ALA H H 86 7.780 7.721 0.059 1
1 1040 . 16 1 1 A 86 86 ALA HA H 86 3.670 4.031 -0.361 1
1 1044 . 16 1 1 A 86 86 ALA CA C 86 54.800 55.068 -0.268 1
1 1045 . 16 1 1 A 86 86 ALA CB C 86 18.100 18.282 -0.182 1
1 1046 . 16 1 1 A 86 86 ALA N N 86 120.500 121.396 -0.896 1
1 1047 . 16 1 1 A 87 87 ILE H H 87 7.880 7.625 0.255 1
1 1048 . 16 1 1 A 87 87 ILE HA H 87 4.240 3.684 0.556 1
1 1058 . 16 1 1 A 87 87 ILE CA C 87 63.900 64.805 -0.905 1
1 1059 . 16 1 1 A 87 87 ILE CB C 87 37.900 37.024 0.876 1
1 1063 . 16 1 1 A 87 87 ILE N N 87 120.400 118.885 1.515 1
1 1064 . 16 1 1 A 88 88 LYS H H 88 7.880 8.465 -0.585 1
1 1065 . 16 1 1 A 88 88 LYS HA H 88 3.900 3.695 0.205 1
1 1074 . 16 1 1 A 88 88 LYS CA C 88 58.900 59.282 -0.382 1
1 1075 . 16 1 1 A 88 88 LYS CB C 88 31.300 32.316 -1.016 1
1 1079 . 16 1 1 A 88 88 LYS N N 88 124.300 121.685 2.615 1
1 1080 . 16 1 1 A 89 89 ARG H H 89 7.350 7.733 -0.383 1
1 1081 . 16 1 1 A 89 89 ARG HA H 89 4.020 4.164 -0.144 1
1 1088 . 16 1 1 A 89 89 ARG CA C 89 54.600 55.954 -1.354 1
1 1089 . 16 1 1 A 89 89 ARG CB C 89 29.100 30.464 -1.364 1
1 1092 . 16 1 1 A 89 89 ARG N N 89 114.300 116.456 -2.156 1
1 1093 . 16 1 1 A 90 90 HIS H H 90 8.030 7.698 0.332 1
1 1094 . 16 1 1 A 90 90 HIS HA H 90 4.330 4.109 0.221 1
1 1098 . 16 1 1 A 90 90 HIS CA C 90 56.300 56.736 -0.436 1
1 1099 . 16 1 1 A 90 90 HIS CB C 90 25.200 26.517 -1.317 1
1 1101 . 16 1 1 A 90 90 HIS N N 90 113.200 113.555 -0.355 1
1 1102 . 16 1 1 A 91 91 ILE H H 91 8.370 8.323 0.047 1
1 1103 . 16 1 1 A 91 91 ILE HA H 91 3.830 3.934 -0.104 1
1 1113 . 16 1 1 A 91 91 ILE CA C 91 63.600 63.233 0.367 1
1 1114 . 16 1 1 A 91 91 ILE CB C 91 39.300 38.700 0.600 1
1 1118 . 16 1 1 A 91 91 ILE N N 91 118.400 117.783 0.617 1
1 1119 . 16 1 1 A 92 92 ILE H H 92 6.860 7.696 -0.836 1
1 1120 . 16 1 1 A 92 92 ILE HA H 92 4.570 4.906 -0.336 1
1 1130 . 16 1 1 A 92 92 ILE CA C 92 58.800 58.605 0.195 1
1 1131 . 16 1 1 A 92 92 ILE CB C 92 42.700 41.135 1.565 1
1 1135 . 16 1 1 A 92 92 ILE N N 92 108.600 116.969 -8.369 1
1 1136 . 16 1 1 A 93 93 GLU H H 93 8.690 8.810 -0.120 1
1 1137 . 16 1 1 A 93 93 GLU HA H 93 4.470 4.794 -0.324 1
1 1142 . 16 1 1 A 93 93 GLU CA C 93 56.400 55.446 0.954 1
1 1143 . 16 1 1 A 93 93 GLU CB C 93 31.200 30.470 0.730 1
1 1145 . 16 1 1 A 93 93 GLU N N 93 116.800 124.286 -7.486 1
1 1146 . 16 1 1 A 94 94 TYR H H 94 7.420 8.687 -1.267 1
1 1147 . 16 1 1 A 94 94 TYR HA H 94 4.710 4.722 -0.012 1
1 1154 . 16 1 1 A 94 94 TYR CA C 94 55.800 58.979 -3.179 1
1 1155 . 16 1 1 A 94 94 TYR CB C 94 40.600 40.528 0.072 1
1 1158 . 16 1 1 A 94 94 TYR N N 94 117.900 126.434 -8.534 1
1 1159 . 16 1 1 A 95 95 ASN H H 95 8.960 8.311 0.649 1
1 1160 . 16 1 1 A 95 95 ASN HA H 95 4.550 4.384 0.166 1
1 1165 . 16 1 1 A 95 95 ASN CA C 95 49.700 53.919 -4.219 1
1 1166 . 16 1 1 A 95 95 ASN CB C 95 39.200 36.868 2.332 1
1 1167 . 16 1 1 A 95 95 ASN N N 95 122.500 118.399 4.101 1
1 1169 . 16 1 1 A 96 96 PRO HA H 96 4.300 4.299 0.001 1
1 1176 . 16 1 1 A 96 96 PRO CA C 96 64.000 63.743 0.257 1
1 1177 . 16 1 1 A 96 96 PRO CB C 96 31.100 31.304 -0.204 1
1 1180 . 16 1 1 A 97 97 ALA H H 97 8.090 8.187 -0.097 1
1 1181 . 16 1 1 A 97 97 ALA HA H 97 4.540 4.368 0.172 1
1 1185 . 16 1 1 A 97 97 ALA CA C 97 51.200 54.226 -3.026 1
1 1186 . 16 1 1 A 97 97 ALA CB C 97 18.900 18.609 0.291 1
1 1187 . 16 1 1 A 97 97 ALA N N 97 118.400 120.930 -2.530 1
1 1188 . 16 1 1 A 98 98 ALA H H 98 7.330 7.819 -0.489 1
1 1189 . 16 1 1 A 98 98 ALA HA H 98 3.990 4.227 -0.237 1
1 1193 . 16 1 1 A 98 98 ALA CA C 98 54.700 53.839 0.861 1
1 1194 . 16 1 1 A 98 98 ALA CB C 98 18.900 18.252 0.648 1
1 1195 . 16 1 1 A 98 98 ALA N N 98 120.500 120.130 0.370 1
1 1196 . 16 1 1 A 99 99 ALA H H 99 8.020 7.412 0.608 1
1 1197 . 16 1 1 A 99 99 ALA HA H 99 4.180 4.154 0.026 1
1 1201 . 16 1 1 A 99 99 ALA CA C 99 52.500 54.777 -2.277 1
1 1202 . 16 1 1 A 99 99 ALA CB C 99 18.200 18.707 -0.507 1
1 1203 . 16 1 1 A 99 99 ALA N N 99 117.400 120.261 -2.861 1
1 1204 . 16 1 1 A 100 100 PHE H H 100 7.320 7.507 -0.187 1
1 1205 . 16 1 1 A 100 100 PHE HA H 100 4.360 4.785 -0.425 1
1 1210 . 16 1 1 A 100 100 PHE CA C 100 57.700 56.651 1.049 1
1 1211 . 16 1 1 A 100 100 PHE CB C 100 40.500 42.414 -1.914 1
1 1213 . 16 1 1 A 100 100 PHE N N 100 117.400 118.582 -1.182 1
1 1214 . 16 1 1 A 101 101 ASP H H 101 8.520 8.258 0.262 1
1 1215 . 16 1 1 A 101 101 ASP HA H 101 4.910 5.114 -0.204 1
1 1218 . 16 1 1 A 101 101 ASP CA C 101 51.400 49.785 1.615 1
1 1219 . 16 1 1 A 101 101 ASP CB C 101 41.400 42.002 -0.602 1
1 1220 . 16 1 1 A 101 101 ASP N N 101 122.600 127.262 -4.662 1
1 1221 . 16 1 1 A 102 102 PRO HA H 102 4.350 4.648 -0.298 1
1 1228 . 16 1 1 A 102 102 PRO CA C 102 63.400 63.598 -0.198 1
1 1229 . 16 1 1 A 102 102 PRO CB C 102 31.900 32.502 -0.602 1
1 1232 . 16 1 1 A 103 103 GLY H H 103 8.440 8.092 0.348 1
1 1233 . 16 1 1 A 103 103 GLY HA2 H 103 3.890 3.974 -0.084 1
1 1234 . 16 1 1 A 103 103 GLY HA3 H 103 3.860 3.978 -0.118 1
1 1235 . 16 1 1 A 103 103 GLY CA C 103 45.100 45.044 0.056 1
1 1236 . 16 1 1 A 103 103 GLY N N 103 108.300 110.513 -2.213 1
1 1237 . 16 1 1 A 104 104 ASP H H 104 8.100 8.693 -0.593 1
1 1238 . 16 1 1 A 104 104 ASP HA H 104 4.620 4.933 -0.313 1
1 1241 . 16 1 1 A 104 104 ASP CA C 104 53.900 54.660 -0.760 1
1 1242 . 16 1 1 A 104 104 ASP CB C 104 40.700 43.639 -2.939 1
1 1243 . 16 1 1 A 104 104 ASP N N 104 120.100 121.545 -1.445 1
1 1244 . 16 1 1 A 105 105 ALA H H 105 8.360 7.674 0.686 1
1 1245 . 16 1 1 A 105 105 ALA HA H 105 4.270 4.736 -0.466 1
1 1249 . 16 1 1 A 105 105 ALA CA C 105 52.900 51.620 1.280 1
1 1250 . 16 1 1 A 105 105 ALA CB C 105 18.800 20.960 -2.160 1
1 1251 . 16 1 1 A 105 105 ALA N N 105 124.600 117.988 6.612 1
1 1252 . 16 1 1 A 106 106 GLY H H 106 8.470 8.367 0.103 1
1 1253 . 16 1 1 A 106 106 GLY HA2 H 106 3.930 4.234 -0.304 1
1 1254 . 16 1 1 A 106 106 GLY HA3 H 106 3.910 4.237 -0.327 1
1 1255 . 16 1 1 A 106 106 GLY CA C 106 45.400 45.683 -0.283 1
1 1256 . 16 1 1 A 106 106 GLY N N 106 107.500 109.919 -2.419 1
1 1257 . 16 1 1 A 107 107 GLY H H 107 8.170 8.392 -0.222 1
1 1258 . 16 1 1 A 107 107 GLY HA2 H 107 3.950 4.040 -0.090 1
1 1259 . 16 1 1 A 107 107 GLY HA3 H 107 3.940 4.043 -0.103 1
1 1260 . 16 1 1 A 107 107 GLY CA C 107 45.300 46.209 -0.909 1
1 1261 . 16 1 1 A 107 107 GLY N N 107 108.600 110.128 -1.528 1
1 1262 . 16 1 1 A 108 108 LYS H H 108 8.160 7.861 0.299 1
1 1263 . 16 1 1 A 108 108 LYS HA H 108 4.260 4.425 -0.165 1
1 1272 . 16 1 1 A 108 108 LYS CA C 108 56.500 56.779 -0.279 1
1 1273 . 16 1 1 A 108 108 LYS CB C 108 32.800 34.108 -1.308 1
1 1277 . 16 1 1 A 108 108 LYS N N 108 120.500 115.677 4.823 1
1 1278 . 16 1 1 A 109 109 LEU H H 109 8.220 8.075 0.145 1
1 1279 . 16 1 1 A 109 109 LEU HA H 109 4.260 3.876 0.384 1
1 1289 . 16 1 1 A 109 109 LEU CA C 109 55.000 55.635 -0.635 1
1 1290 . 16 1 1 A 109 109 LEU CB C 109 41.900 40.522 1.378 1
1 1294 . 16 1 1 A 109 109 LEU N N 109 122.200 120.495 1.705 1
1 1295 . 16 1 1 A 110 110 GLU H H 110 8.160 7.956 0.204 1
1 1296 . 16 1 1 A 110 110 GLU HA H 110 4.190 4.999 -0.809 1
1 1301 . 16 1 1 A 110 110 GLU CA C 110 56.000 54.212 1.788 1
1 1302 . 16 1 1 A 110 110 GLU CB C 110 29.900 33.163 -3.263 1
1 1304 . 16 1 1 A 110 110 GLU N N 110 121.000 117.460 3.540 1
1 1305 . 16 1 1 A 111 111 HIS H H 111 8.460 8.901 -0.441 1
1 1306 . 16 1 1 A 111 111 HIS HA H 111 4.630 5.071 -0.441 1
1 1309 . 16 1 1 A 111 111 HIS CA C 111 54.900 54.503 0.397 1
1 1310 . 16 1 1 A 111 111 HIS CB C 111 28.700 31.948 -3.248 1
1 1311 . 16 1 1 A 111 111 HIS N N 111 118.900 117.582 1.318 1
1 1312 . 16 1 1 A 112 112 HIS H H 112 8.540 8.623 -0.083 1
1 1313 . 16 1 1 A 112 112 HIS HA H 112 4.640 5.392 -0.752 1
1 1316 . 16 1 1 A 112 112 HIS CA C 112 55.100 54.324 0.776 1
1 1317 . 16 1 1 A 112 112 HIS CB C 112 28.900 31.506 -2.606 1
1 1318 . 16 1 1 A 112 112 HIS N N 112 119.100 121.091 -1.991 1
1 1319 . 16 1 1 A 113 113 HIS H H 113 8.630 8.852 -0.222 1
1 1320 . 16 1 1 A 113 113 HIS HA H 113 4.670 5.276 -0.606 1
1 1323 . 16 1 1 A 113 113 HIS CA C 113 55.200 53.914 1.286 1
1 1324 . 16 1 1 A 113 113 HIS CB C 113 28.900 32.915 -4.015 1
1 1325 . 16 1 1 A 113 113 HIS N N 113 119.400 123.822 -4.422 1
1 1326 . 16 1 1 A 114 114 HIS H H 114 8.670 8.705 -0.035 1
1 1327 . 16 1 1 A 114 114 HIS HA H 114 4.670 5.068 -0.398 1
1 1330 . 16 1 1 A 114 114 HIS CA C 114 55.200 54.563 0.637 1
1 1331 . 16 1 1 A 114 114 HIS CB C 114 29.100 30.801 -1.701 1
1 1332 . 16 1 1 A 114 114 HIS N N 114 120.400 125.042 -4.642 1
1 1333 . 16 1 1 A 115 115 HIS H H 115 8.560 8.996 -0.436 1
1 1334 . 16 1 1 A 115 115 HIS HA H 115 4.660 5.196 -0.536 1
1 1337 . 16 1 1 A 115 115 HIS CA C 115 55.300 53.861 1.439 1
1 1338 . 16 1 1 A 115 115 HIS CB C 115 29.300 32.614 -3.314 1
1 1339 . 16 1 1 A 115 115 HIS N N 115 120.600 123.158 -2.558 1
1 5 . 17 1 1 A 2 2 ALA H H 2 8.190 8.023 0.167 1
1 6 . 17 1 1 A 2 2 ALA HA H 2 4.510 3.535 0.975 1
1 10 . 17 1 1 A 2 2 ALA CA C 2 51.900 54.741 -2.841 1
1 11 . 17 1 1 A 2 2 ALA CB C 2 19.500 17.869 1.631 1
1 12 . 17 1 1 A 2 2 ALA N N 2 124.100 121.111 2.989 1
1 13 . 17 1 1 A 3 3 GLU H H 3 8.740 8.643 0.097 1
1 14 . 17 1 1 A 3 3 GLU HA H 3 4.380 3.935 0.445 1
1 19 . 17 1 1 A 3 3 GLU CA C 3 56.000 59.040 -3.040 1
1 20 . 17 1 1 A 3 3 GLU CB C 3 29.900 28.158 1.742 1
1 22 . 17 1 1 A 3 3 GLU N N 3 120.700 114.152 6.548 1
1 23 . 17 1 1 A 4 4 LYS H H 4 8.580 8.448 0.132 1
1 24 . 17 1 1 A 4 4 LYS HA H 4 4.280 4.419 -0.139 1
1 33 . 17 1 1 A 4 4 LYS CA C 4 56.600 57.634 -1.034 1
1 34 . 17 1 1 A 4 4 LYS CB C 4 32.600 33.113 -0.513 1
1 38 . 17 1 1 A 4 4 LYS N N 4 122.500 118.570 3.930 1
1 39 . 17 1 1 A 5 5 ASN H H 5 8.560 7.674 0.886 1
1 40 . 17 1 1 A 5 5 ASN HA H 5 4.700 4.920 -0.220 1
1 45 . 17 1 1 A 5 5 ASN CA C 5 53.200 53.326 -0.126 1
1 46 . 17 1 1 A 5 5 ASN CB C 5 38.900 41.338 -2.438 1
1 47 . 17 1 1 A 5 5 ASN N N 5 119.500 116.948 2.552 1
1 49 . 17 1 1 A 6 6 ALA H H 6 8.210 8.412 -0.202 1
1 50 . 17 1 1 A 6 6 ALA HA H 6 4.520 4.010 0.510 1
1 54 . 17 1 1 A 6 6 ALA CA C 6 51.800 54.218 -2.418 1
1 55 . 17 1 1 A 6 6 ALA CB C 6 19.600 17.925 1.675 1
1 56 . 17 1 1 A 6 6 ALA N N 6 124.100 128.498 -4.398 1
1 57 . 17 1 1 A 7 7 TYR H H 7 8.740 9.055 -0.315 1
1 58 . 17 1 1 A 7 7 TYR HA H 7 4.700 5.331 -0.631 1
1 65 . 17 1 1 A 7 7 TYR CA C 7 58.900 56.563 2.337 1
1 66 . 17 1 1 A 7 7 TYR CB C 7 40.300 44.017 -3.717 1
1 69 . 17 1 1 A 7 7 TYR N N 7 121.400 116.635 4.765 1
1 70 . 17 1 1 A 8 8 THR H H 8 8.170 8.527 -0.357 1
1 71 . 17 1 1 A 8 8 THR HA H 8 5.220 5.084 0.136 1
1 76 . 17 1 1 A 8 8 THR CA C 8 59.800 59.896 -0.096 1
1 77 . 17 1 1 A 8 8 THR CB C 8 71.600 71.674 -0.074 1
1 79 . 17 1 1 A 8 8 THR N N 8 113.700 112.553 1.147 1
1 80 . 17 1 1 A 9 9 VAL H H 9 8.990 8.549 0.441 1
1 81 . 17 1 1 A 9 9 VAL HA H 9 3.370 4.016 -0.646 1
1 89 . 17 1 1 A 9 9 VAL CA C 9 66.700 65.068 1.632 1
1 90 . 17 1 1 A 9 9 VAL CB C 9 30.200 31.656 -1.456 1
1 93 . 17 1 1 A 9 9 VAL N N 9 121.400 122.115 -0.715 1
1 94 . 17 1 1 A 10 10 ALA H H 10 9.340 7.713 1.627 1
1 95 . 17 1 1 A 10 10 ALA HA H 10 3.720 4.027 -0.307 1
1 99 . 17 1 1 A 10 10 ALA CA C 10 55.800 55.567 0.233 1
1 100 . 17 1 1 A 10 10 ALA CB C 10 18.200 18.276 -0.076 1
1 101 . 17 1 1 A 10 10 ALA N N 10 122.000 123.981 -1.981 1
1 102 . 17 1 1 A 11 11 GLN H H 11 7.330 7.999 -0.669 1
1 103 . 17 1 1 A 11 11 GLN HA H 11 4.050 4.117 -0.067 1
1 110 . 17 1 1 A 11 11 GLN CA C 11 58.400 58.899 -0.499 1
1 111 . 17 1 1 A 11 11 GLN CB C 11 28.700 28.590 0.110 1
1 113 . 17 1 1 A 11 11 GLN N N 11 115.300 117.412 -2.112 1
1 115 . 17 1 1 A 12 12 LEU H H 12 8.510 8.014 0.496 1
1 116 . 17 1 1 A 12 12 LEU HA H 12 4.200 4.081 0.119 1
1 126 . 17 1 1 A 12 12 LEU CA C 12 57.600 57.924 -0.324 1
1 127 . 17 1 1 A 12 12 LEU CB C 12 41.700 41.295 0.405 1
1 131 . 17 1 1 A 12 12 LEU N N 12 121.500 122.292 -0.792 1
1 132 . 17 1 1 A 13 13 ALA H H 13 9.160 8.060 1.100 1
1 133 . 17 1 1 A 13 13 ALA HA H 13 3.990 4.016 -0.026 1
1 137 . 17 1 1 A 13 13 ALA CA C 13 55.400 55.399 0.001 1
1 138 . 17 1 1 A 13 13 ALA CB C 13 17.700 18.079 -0.379 1
1 139 . 17 1 1 A 13 13 ALA N N 13 121.000 120.949 0.051 1
1 140 . 17 1 1 A 14 14 ASP H H 14 7.920 8.111 -0.191 1
1 141 . 17 1 1 A 14 14 ASP HA H 14 4.480 4.482 -0.002 1
1 144 . 17 1 1 A 14 14 ASP CA C 14 57.200 56.232 0.968 1
1 145 . 17 1 1 A 14 14 ASP CB C 14 39.500 40.135 -0.635 1
1 146 . 17 1 1 A 14 14 ASP N N 14 117.400 118.407 -1.007 1
1 147 . 17 1 1 A 15 15 GLU H H 15 8.210 8.195 0.015 1
1 148 . 17 1 1 A 15 15 GLU HA H 15 4.110 4.117 -0.007 1
1 153 . 17 1 1 A 15 15 GLU CA C 15 59.800 59.311 0.489 1
1 154 . 17 1 1 A 15 15 GLU CB C 15 30.100 29.226 0.874 1
1 156 . 17 1 1 A 15 15 GLU N N 15 122.500 120.135 2.365 1
1 157 . 17 1 1 A 16 16 TYR H H 16 9.230 8.189 1.041 1
1 158 . 17 1 1 A 16 16 TYR HA H 16 3.180 3.988 -0.808 1
1 165 . 17 1 1 A 16 16 TYR CA C 16 61.100 61.293 -0.193 1
1 166 . 17 1 1 A 16 16 TYR CB C 16 38.300 38.242 0.058 1
1 169 . 17 1 1 A 16 16 TYR N N 16 119.400 120.732 -1.332 1
1 170 . 17 1 1 A 17 17 PHE H H 17 8.700 8.496 0.204 1
1 171 . 17 1 1 A 17 17 PHE HA H 17 3.480 4.181 -0.701 1
1 178 . 17 1 1 A 17 17 PHE CA C 17 61.600 61.655 -0.055 1
1 179 . 17 1 1 A 17 17 PHE CB C 17 39.300 39.092 0.208 1
1 182 . 17 1 1 A 17 17 PHE N N 17 118.400 121.139 -2.739 1
1 183 . 17 1 1 A 18 18 GLU H H 18 8.280 8.205 0.075 1
1 184 . 17 1 1 A 18 18 GLU HA H 18 3.840 3.827 0.013 1
1 189 . 17 1 1 A 18 18 GLU CA C 18 58.800 60.127 -1.327 1
1 190 . 17 1 1 A 18 18 GLU CB C 18 29.000 29.084 -0.084 1
1 192 . 17 1 1 A 18 18 GLU N N 18 118.500 117.577 0.923 1
1 193 . 17 1 1 A 19 19 ARG H H 19 8.350 7.401 0.949 1
1 194 . 17 1 1 A 19 19 ARG HA H 19 4.200 4.202 -0.002 1
1 202 . 17 1 1 A 19 19 ARG CA C 19 57.300 57.356 -0.056 1
1 203 . 17 1 1 A 19 19 ARG CB C 19 30.900 31.111 -0.211 1
1 206 . 17 1 1 A 19 19 ARG N N 19 114.300 117.939 -3.639 1
1 208 . 17 1 1 A 20 20 MET H H 20 7.960 7.886 0.074 1
1 209 . 17 1 1 A 20 20 MET HA H 20 4.610 4.031 0.579 1
1 217 . 17 1 1 A 20 20 MET CA C 20 54.100 57.217 -3.117 1
1 218 . 17 1 1 A 20 20 MET CB C 20 31.800 31.969 -0.169 1
1 221 . 17 1 1 A 20 20 MET N N 20 112.400 118.037 -5.637 1
1 222 . 17 1 1 A 21 21 ILE H H 21 6.970 7.187 -0.217 1
1 223 . 17 1 1 A 21 21 ILE HA H 21 4.050 3.844 0.206 1
1 233 . 17 1 1 A 21 21 ILE CA C 21 59.800 63.299 -3.499 1
1 234 . 17 1 1 A 21 21 ILE CB C 21 35.900 37.080 -1.180 1
1 238 . 17 1 1 A 21 21 ILE N N 21 117.900 118.224 -0.324 1
1 239 . 17 1 1 A 22 22 ALA H H 22 7.700 7.720 -0.020 1
1 240 . 17 1 1 A 22 22 ALA HA H 22 3.600 3.611 -0.011 1
1 244 . 17 1 1 A 22 22 ALA CA C 22 53.900 54.344 -0.444 1
1 245 . 17 1 1 A 22 22 ALA CB C 22 18.000 18.033 -0.033 1
1 246 . 17 1 1 A 22 22 ALA N N 22 123.500 124.496 -0.996 1
1 247 . 17 1 1 A 23 23 GLY H H 23 8.460 8.150 0.310 1
1 248 . 17 1 1 A 23 23 GLY HA2 H 23 3.960 3.774 0.186 1
1 249 . 17 1 1 A 23 23 GLY HA3 H 23 3.820 3.788 0.032 1
1 250 . 17 1 1 A 23 23 GLY CA C 23 45.600 47.060 -1.460 1
1 251 . 17 1 1 A 23 23 GLY N N 23 109.600 106.560 3.040 1
1 252 . 17 1 1 A 24 24 ARG H H 24 7.830 7.958 -0.128 1
1 253 . 17 1 1 A 24 24 ARG HA H 24 4.440 4.824 -0.384 1
1 261 . 17 1 1 A 24 24 ARG CA C 24 56.700 54.612 2.088 1
1 262 . 17 1 1 A 24 24 ARG CB C 24 32.400 32.201 0.199 1
1 265 . 17 1 1 A 24 24 ARG N N 24 118.400 113.989 4.411 1
1 267 . 17 1 1 A 25 25 TRP H H 25 8.240 8.591 -0.351 1
1 268 . 17 1 1 A 25 25 TRP HA H 25 4.640 4.869 -0.229 1
1 277 . 17 1 1 A 25 25 TRP CA C 25 56.900 56.734 0.166 1
1 278 . 17 1 1 A 25 25 TRP CB C 25 31.400 31.372 0.028 1
1 284 . 17 1 1 A 25 25 TRP N N 25 121.500 121.160 0.340 1
1 286 . 17 1 1 A 26 26 LYS H H 26 7.890 7.194 0.696 1
1 287 . 17 1 1 A 26 26 LYS HA H 26 3.910 3.539 0.371 1
1 296 . 17 1 1 A 26 26 LYS CA C 26 56.800 57.266 -0.466 1
1 297 . 17 1 1 A 26 26 LYS CB C 26 32.200 31.919 0.281 1
1 301 . 17 1 1 A 26 26 LYS N N 26 122.500 119.748 2.752 1
1 302 . 17 1 1 A 27 27 HIS H H 27 7.840 7.198 0.642 1
1 303 . 17 1 1 A 27 27 HIS HA H 27 5.230 4.861 0.369 1
1 307 . 17 1 1 A 27 27 HIS CA C 27 53.200 52.831 0.369 1
1 308 . 17 1 1 A 27 27 HIS CB C 27 28.200 29.532 -1.332 1
1 310 . 17 1 1 A 27 27 HIS N N 27 112.700 113.367 -0.667 1
1 311 . 17 1 1 A 28 28 PRO HA H 28 4.120 4.660 -0.540 1
1 318 . 17 1 1 A 28 28 PRO CA C 28 65.400 65.615 -0.215 1
1 319 . 17 1 1 A 28 28 PRO CB C 28 32.200 31.930 0.270 1
1 322 . 17 1 1 A 29 29 ASN H H 29 8.840 8.976 -0.136 1
1 323 . 17 1 1 A 29 29 ASN HA H 29 4.470 4.546 -0.076 1
1 328 . 17 1 1 A 29 29 ASN CA C 29 56.100 55.544 0.556 1
1 329 . 17 1 1 A 29 29 ASN CB C 29 37.000 37.204 -0.204 1
1 330 . 17 1 1 A 29 29 ASN N N 29 116.300 115.109 1.191 1
1 332 . 17 1 1 A 30 30 ILE H H 30 7.630 7.971 -0.341 1
1 333 . 17 1 1 A 30 30 ILE HA H 30 3.910 3.744 0.166 1
1 343 . 17 1 1 A 30 30 ILE CA C 30 63.700 63.426 0.274 1
1 344 . 17 1 1 A 30 30 ILE CB C 30 37.300 36.633 0.667 1
1 348 . 17 1 1 A 30 30 ILE N N 30 121.500 121.391 0.109 1
1 349 . 17 1 1 A 31 31 VAL H H 31 6.920 8.530 -1.610 1
1 350 . 17 1 1 A 31 31 VAL HA H 31 3.020 3.710 -0.690 1
1 358 . 17 1 1 A 31 31 VAL CA C 31 65.500 65.236 0.264 1
1 359 . 17 1 1 A 31 31 VAL CB C 31 30.900 31.549 -0.649 1
1 362 . 17 1 1 A 31 31 VAL N N 31 119.900 121.415 -1.515 1
1 363 . 17 1 1 A 32 32 ARG H H 32 8.080 8.223 -0.143 1
1 364 . 17 1 1 A 32 32 ARG HA H 32 3.380 4.020 -0.640 1
1 371 . 17 1 1 A 32 32 ARG CA C 32 58.900 59.540 -0.640 1
1 372 . 17 1 1 A 32 32 ARG CB C 32 28.800 29.700 -0.900 1
1 375 . 17 1 1 A 32 32 ARG N N 32 118.900 122.687 -3.787 1
1 376 . 17 1 1 A 33 33 SER H H 33 7.840 7.770 0.070 1
1 377 . 17 1 1 A 33 33 SER HA H 33 4.130 4.068 0.062 1
1 380 . 17 1 1 A 33 33 SER CA C 33 61.900 61.612 0.288 1
1 381 . 17 1 1 A 33 33 SER CB C 33 62.700 62.847 -0.147 1
1 382 . 17 1 1 A 33 33 SER N N 33 113.400 115.535 -2.135 1
1 383 . 17 1 1 A 34 34 ARG H H 34 7.610 7.394 0.216 1
1 384 . 17 1 1 A 34 34 ARG HA H 34 4.370 4.473 -0.103 1
1 392 . 17 1 1 A 34 34 ARG CA C 34 58.100 58.658 -0.558 1
1 393 . 17 1 1 A 34 34 ARG CB C 34 29.600 29.607 -0.007 1
1 396 . 17 1 1 A 34 34 ARG N N 34 119.900 121.394 -1.494 1
1 398 . 17 1 1 A 35 35 ILE H H 35 8.070 8.212 -0.142 1
1 399 . 17 1 1 A 35 35 ILE HA H 35 3.470 3.771 -0.301 1
1 409 . 17 1 1 A 35 35 ILE CA C 35 65.800 65.337 0.463 1
1 410 . 17 1 1 A 35 35 ILE CB C 35 38.200 37.801 0.399 1
1 414 . 17 1 1 A 35 35 ILE N N 35 118.600 121.018 -2.418 1
1 415 . 17 1 1 A 36 36 GLU H H 36 8.710 8.702 0.008 1
1 416 . 17 1 1 A 36 36 GLU HA H 36 3.880 4.125 -0.245 1
1 421 . 17 1 1 A 36 36 GLU CA C 36 58.400 59.107 -0.707 1
1 422 . 17 1 1 A 36 36 GLU CB C 36 30.000 29.814 0.186 1
1 424 . 17 1 1 A 36 36 GLU N N 36 116.800 118.944 -2.144 1
1 425 . 17 1 1 A 37 37 LYS H H 37 8.550 7.907 0.643 1
1 426 . 17 1 1 A 37 37 LYS HA H 37 4.300 4.234 0.066 1
1 435 . 17 1 1 A 37 37 LYS CA C 37 57.300 58.253 -0.953 1
1 436 . 17 1 1 A 37 37 LYS CB C 37 33.000 32.733 0.267 1
1 440 . 17 1 1 A 37 37 LYS N N 37 114.300 120.929 -6.629 1
1 441 . 17 1 1 A 38 38 ASP H H 38 7.480 7.906 -0.426 1
1 442 . 17 1 1 A 38 38 ASP HA H 38 4.970 4.617 0.353 1
1 445 . 17 1 1 A 38 38 ASP CA C 38 55.300 56.375 -1.075 1
1 446 . 17 1 1 A 38 38 ASP CB C 38 42.700 41.143 1.557 1
1 447 . 17 1 1 A 38 38 ASP N N 38 113.900 118.168 -4.268 1
1 448 . 17 1 1 A 39 39 ILE H H 39 7.540 7.828 -0.288 1
1 449 . 17 1 1 A 39 39 ILE HA H 39 3.940 4.021 -0.081 1
1 459 . 17 1 1 A 39 39 ILE CA C 39 64.700 64.802 -0.102 1
1 460 . 17 1 1 A 39 39 ILE CB C 39 39.000 38.596 0.404 1
1 464 . 17 1 1 A 39 39 ILE N N 39 116.800 118.778 -1.978 1
1 465 . 17 1 1 A 40 40 LYS H H 40 8.840 7.533 1.307 1
1 466 . 17 1 1 A 40 40 LYS HA H 40 3.650 4.778 -1.128 1
1 475 . 17 1 1 A 40 40 LYS CA C 40 50.600 53.972 -3.372 1
1 476 . 17 1 1 A 40 40 LYS CB C 40 30.400 33.044 -2.644 1
1 480 . 17 1 1 A 40 40 LYS N N 40 118.400 120.003 -1.603 1
1 481 . 17 1 1 A 41 41 PRO HA H 41 4.280 4.390 -0.110 1
1 488 . 17 1 1 A 41 41 PRO CA C 41 65.700 65.615 0.085 1
1 489 . 17 1 1 A 41 41 PRO CB C 41 30.700 31.735 -1.035 1
1 492 . 17 1 1 A 42 42 ALA H H 42 6.660 8.204 -1.544 1
1 493 . 17 1 1 A 42 42 ALA HA H 42 4.430 4.574 -0.144 1
1 497 . 17 1 1 A 42 42 ALA CA C 42 53.800 51.682 2.118 1
1 498 . 17 1 1 A 42 42 ALA CB C 42 20.800 20.768 0.032 1
1 499 . 17 1 1 A 42 42 ALA N N 42 115.300 118.245 -2.945 1
1 500 . 17 1 1 A 43 43 ILE H H 43 7.540 7.657 -0.117 1
1 501 . 17 1 1 A 43 43 ILE HA H 43 4.810 4.444 0.366 1
1 511 . 17 1 1 A 43 43 ILE CA C 43 60.600 59.891 0.709 1
1 512 . 17 1 1 A 43 43 ILE CB C 43 41.200 38.775 2.425 1
1 516 . 17 1 1 A 43 43 ILE N N 43 105.000 115.572 -10.572 1
1 517 . 17 1 1 A 44 44 GLY H H 44 8.500 8.446 0.054 1
1 518 . 17 1 1 A 44 44 GLY HA2 H 44 4.170 4.089 0.081 1
1 519 . 17 1 1 A 44 44 GLY HA3 H 44 3.430 4.102 -0.672 1
1 520 . 17 1 1 A 44 44 GLY CA C 44 47.300 46.184 1.116 1
1 521 . 17 1 1 A 44 44 GLY N N 44 109.600 112.388 -2.788 1
1 522 . 17 1 1 A 45 45 SER H H 45 8.120 7.933 0.187 1
1 523 . 17 1 1 A 45 45 SER HA H 45 4.440 4.469 -0.029 1
1 526 . 17 1 1 A 45 45 SER CA C 45 58.600 58.697 -0.097 1
1 527 . 17 1 1 A 45 45 SER CB C 45 63.400 63.440 -0.040 1
1 528 . 17 1 1 A 45 45 SER N N 45 110.400 114.351 -3.951 1
1 529 . 17 1 1 A 46 46 LEU H H 46 7.480 7.452 0.028 1
1 530 . 17 1 1 A 46 46 LEU HA H 46 4.180 4.249 -0.069 1
1 540 . 17 1 1 A 46 46 LEU CA C 46 54.800 55.529 -0.729 1
1 541 . 17 1 1 A 46 46 LEU CB C 46 41.700 43.122 -1.422 1
1 545 . 17 1 1 A 46 46 LEU N N 46 122.600 124.709 -2.109 1
1 546 . 17 1 1 A 47 47 LYS H H 47 8.790 8.306 0.484 1
1 547 . 17 1 1 A 47 47 LYS HA H 47 4.460 4.188 0.272 1
1 556 . 17 1 1 A 47 47 LYS CA C 47 56.700 56.969 -0.269 1
1 557 . 17 1 1 A 47 47 LYS CB C 47 31.100 33.703 -2.603 1
1 561 . 17 1 1 A 47 47 LYS N N 47 120.800 126.016 -5.216 1
1 562 . 17 1 1 A 48 48 VAL H H 48 8.600 8.832 -0.232 1
1 563 . 17 1 1 A 48 48 VAL HA H 48 3.470 3.811 -0.341 1
1 571 . 17 1 1 A 48 48 VAL CA C 48 66.900 66.227 0.673 1
1 572 . 17 1 1 A 48 48 VAL CB C 48 31.000 31.612 -0.612 1
1 575 . 17 1 1 A 48 48 VAL N N 48 123.000 124.980 -1.980 1
1 576 . 17 1 1 A 49 49 GLU H H 49 9.360 8.454 0.906 1
1 577 . 17 1 1 A 49 49 GLU HA H 49 4.180 4.311 -0.131 1
1 582 . 17 1 1 A 49 49 GLU CA C 49 57.600 58.152 -0.552 1
1 583 . 17 1 1 A 49 49 GLU CB C 49 28.500 29.336 -0.836 1
1 585 . 17 1 1 A 49 49 GLU N N 49 115.300 120.821 -5.521 1
1 586 . 17 1 1 A 50 50 ASP H H 50 7.840 7.870 -0.030 1
1 587 . 17 1 1 A 50 50 ASP HA H 50 4.840 4.690 0.150 1
1 590 . 17 1 1 A 50 50 ASP CA C 50 53.800 54.005 -0.205 1
1 591 . 17 1 1 A 50 50 ASP CB C 50 41.400 41.867 -0.467 1
1 592 . 17 1 1 A 50 50 ASP N N 50 118.900 118.247 0.653 1
1 593 . 17 1 1 A 51 51 VAL H H 51 7.150 7.465 -0.315 1
1 594 . 17 1 1 A 51 51 VAL HA H 51 3.950 4.347 -0.397 1
1 602 . 17 1 1 A 51 51 VAL CA C 51 63.700 61.776 1.924 1
1 603 . 17 1 1 A 51 51 VAL CB C 51 30.900 30.993 -0.093 1
1 606 . 17 1 1 A 51 51 VAL N N 51 119.900 121.664 -1.764 1
1 607 . 17 1 1 A 52 52 LYS H H 52 11.840 7.784 4.056 1
1 608 . 17 1 1 A 52 52 LYS HA H 52 4.980 4.337 0.643 1
1 617 . 17 1 1 A 52 52 LYS CA C 52 52.800 53.687 -0.887 1
1 618 . 17 1 1 A 52 52 LYS CB C 52 33.100 31.528 1.572 1
1 622 . 17 1 1 A 52 52 LYS N N 52 133.900 129.004 4.896 1
1 623 . 17 1 1 A 53 53 PRO HA H 53 4.370 4.135 0.235 1
1 630 . 17 1 1 A 53 53 PRO CA C 53 66.600 65.544 1.056 1
1 631 . 17 1 1 A 53 53 PRO CB C 53 31.600 31.857 -0.257 1
1 634 . 17 1 1 A 54 54 ARG H H 54 8.180 8.290 -0.110 1
1 635 . 17 1 1 A 54 54 ARG HA H 54 4.200 4.035 0.165 1
1 643 . 17 1 1 A 54 54 ARG CA C 54 58.300 59.013 -0.713 1
1 644 . 17 1 1 A 54 54 ARG CB C 54 28.700 29.858 -1.158 1
1 647 . 17 1 1 A 54 54 ARG N N 54 113.800 118.643 -4.843 1
1 649 . 17 1 1 A 55 55 HIS H H 55 7.650 7.719 -0.069 1
1 650 . 17 1 1 A 55 55 HIS HA H 55 4.430 4.374 0.056 1
1 655 . 17 1 1 A 55 55 HIS CA C 55 60.500 59.416 1.084 1
1 656 . 17 1 1 A 55 55 HIS CB C 55 31.400 29.649 1.751 1
1 659 . 17 1 1 A 55 55 HIS N N 55 118.400 118.013 0.387 1
1 660 . 17 1 1 A 56 56 ILE H H 56 7.280 8.258 -0.978 1
1 661 . 17 1 1 A 56 56 ILE HA H 56 3.480 3.676 -0.196 1
1 671 . 17 1 1 A 56 56 ILE CA C 56 61.900 65.702 -3.802 1
1 672 . 17 1 1 A 56 56 ILE CB C 56 33.900 37.924 -4.024 1
1 676 . 17 1 1 A 56 56 ILE N N 56 117.400 120.175 -2.775 1
1 677 . 17 1 1 A 57 57 ASP H H 57 8.010 8.096 -0.086 1
1 678 . 17 1 1 A 57 57 ASP HA H 57 4.220 4.246 -0.026 1
1 681 . 17 1 1 A 57 57 ASP CA C 57 57.200 57.800 -0.600 1
1 682 . 17 1 1 A 57 57 ASP CB C 57 40.900 40.970 -0.070 1
1 683 . 17 1 1 A 57 57 ASP N N 57 119.400 121.573 -2.173 1
1 684 . 17 1 1 A 58 58 ASP H H 58 8.000 8.233 -0.233 1
1 685 . 17 1 1 A 58 58 ASP HA H 58 4.380 4.342 0.038 1
1 688 . 17 1 1 A 58 58 ASP CA C 58 57.600 57.370 0.230 1
1 689 . 17 1 1 A 58 58 ASP CB C 58 39.200 40.933 -1.733 1
1 690 . 17 1 1 A 58 58 ASP N N 58 117.400 119.385 -1.985 1
1 691 . 17 1 1 A 59 59 VAL H H 59 7.800 8.614 -0.814 1
1 692 . 17 1 1 A 59 59 VAL HA H 59 3.620 3.853 -0.233 1
1 700 . 17 1 1 A 59 59 VAL CA C 59 66.200 65.431 0.769 1
1 701 . 17 1 1 A 59 59 VAL CB C 59 31.400 31.466 -0.066 1
1 704 . 17 1 1 A 59 59 VAL N N 59 121.200 118.727 2.473 1
1 705 . 17 1 1 A 60 60 LEU H H 60 8.030 8.169 -0.139 1
1 706 . 17 1 1 A 60 60 LEU HA H 60 3.870 4.013 -0.143 1
1 716 . 17 1 1 A 60 60 LEU CA C 60 58.000 57.734 0.266 1
1 717 . 17 1 1 A 60 60 LEU CB C 60 40.300 40.893 -0.593 1
1 721 . 17 1 1 A 60 60 LEU N N 60 118.900 121.054 -2.154 1
1 722 . 17 1 1 A 61 61 LYS H H 61 8.710 7.876 0.834 1
1 723 . 17 1 1 A 61 61 LYS HA H 61 3.920 4.020 -0.100 1
1 732 . 17 1 1 A 61 61 LYS CA C 61 59.600 58.147 1.453 1
1 733 . 17 1 1 A 61 61 LYS CB C 61 32.500 32.164 0.336 1
1 737 . 17 1 1 A 61 61 LYS N N 61 118.300 121.726 -3.426 1
1 738 . 17 1 1 A 62 62 ALA H H 62 7.590 7.651 -0.061 1
1 739 . 17 1 1 A 62 62 ALA HA H 62 4.170 4.087 0.083 1
1 743 . 17 1 1 A 62 62 ALA CA C 62 55.100 54.897 0.203 1
1 744 . 17 1 1 A 62 62 ALA CB C 62 17.900 18.189 -0.289 1
1 745 . 17 1 1 A 62 62 ALA N N 62 121.000 121.569 -0.569 1
1 746 . 17 1 1 A 63 63 VAL H H 63 8.090 8.163 -0.073 1
1 747 . 17 1 1 A 63 63 VAL HA H 63 3.710 3.880 -0.170 1
1 755 . 17 1 1 A 63 63 VAL CA C 63 65.700 65.381 0.319 1
1 756 . 17 1 1 A 63 63 VAL CB C 63 31.700 31.274 0.426 1
1 759 . 17 1 1 A 63 63 VAL N N 63 118.000 117.356 0.644 1
1 760 . 17 1 1 A 64 64 MET H H 64 8.360 7.739 0.621 1
1 761 . 17 1 1 A 64 64 MET HA H 64 4.110 4.255 -0.145 1
1 769 . 17 1 1 A 64 64 MET CA C 64 57.600 58.065 -0.465 1
1 770 . 17 1 1 A 64 64 MET CB C 64 31.700 32.356 -0.656 1
1 773 . 17 1 1 A 64 64 MET N N 64 119.400 120.984 -1.584 1
1 774 . 17 1 1 A 65 65 LYS H H 65 7.660 7.925 -0.265 1
1 775 . 17 1 1 A 65 65 LYS HA H 65 4.170 4.055 0.115 1
1 784 . 17 1 1 A 65 65 LYS CA C 65 58.100 59.327 -1.227 1
1 785 . 17 1 1 A 65 65 LYS CB C 65 32.500 32.119 0.381 1
1 789 . 17 1 1 A 65 65 LYS N N 65 118.900 117.981 0.919 1
1 790 . 17 1 1 A 66 66 ARG H H 66 7.600 8.350 -0.750 1
1 791 . 17 1 1 A 66 66 ARG HA H 66 4.430 4.155 0.275 1
1 799 . 17 1 1 A 66 66 ARG CA C 66 56.600 57.595 -0.995 1
1 800 . 17 1 1 A 66 66 ARG CB C 66 30.400 29.091 1.309 1
1 803 . 17 1 1 A 66 66 ARG N N 66 115.800 119.490 -3.690 1
1 805 . 17 1 1 A 67 67 GLY H H 67 7.830 7.677 0.153 1
1 806 . 17 1 1 A 67 67 GLY HA2 H 67 4.010 4.106 -0.096 1
1 807 . 17 1 1 A 67 67 GLY HA3 H 67 3.980 4.107 -0.127 1
1 808 . 17 1 1 A 67 67 GLY CA C 67 45.700 45.870 -0.170 1
1 809 . 17 1 1 A 67 67 GLY N N 67 107.400 108.021 -0.621 1
1 810 . 17 1 1 A 68 68 ALA H H 68 7.730 8.508 -0.778 1
1 811 . 17 1 1 A 68 68 ALA HA H 68 4.980 4.829 0.151 1
1 815 . 17 1 1 A 68 68 ALA CA C 68 49.700 50.047 -0.347 1
1 816 . 17 1 1 A 68 68 ALA CB C 68 18.900 21.940 -3.040 1
1 817 . 17 1 1 A 68 68 ALA N N 68 122.500 124.355 -1.855 1
1 818 . 17 1 1 A 69 69 PRO HA H 69 4.350 4.383 -0.033 1
1 825 . 17 1 1 A 69 69 PRO CA C 69 65.400 64.373 1.027 1
1 826 . 17 1 1 A 69 69 PRO CB C 69 31.700 31.898 -0.198 1
1 829 . 17 1 1 A 70 70 SER H H 70 8.430 8.499 -0.069 1
1 830 . 17 1 1 A 70 70 SER HA H 70 4.250 4.340 -0.090 1
1 833 . 17 1 1 A 70 70 SER CA C 70 61.000 61.344 -0.344 1
1 834 . 17 1 1 A 70 70 SER CB C 70 61.500 62.874 -1.374 1
1 835 . 17 1 1 A 70 70 SER N N 70 112.200 113.524 -1.324 1
1 836 . 17 1 1 A 71 71 ILE H H 71 7.430 7.896 -0.466 1
1 837 . 17 1 1 A 71 71 ILE HA H 71 3.980 3.828 0.152 1
1 847 . 17 1 1 A 71 71 ILE CA C 71 63.100 64.611 -1.511 1
1 848 . 17 1 1 A 71 71 ILE CB C 71 36.700 36.841 -0.141 1
1 852 . 17 1 1 A 71 71 ILE N N 71 122.000 122.664 -0.664 1
1 853 . 17 1 1 A 72 72 ALA H H 72 7.780 8.513 -0.733 1
1 854 . 17 1 1 A 72 72 ALA HA H 72 3.910 4.051 -0.141 1
1 858 . 17 1 1 A 72 72 ALA CA C 72 55.800 56.005 -0.205 1
1 859 . 17 1 1 A 72 72 ALA CB C 72 17.900 18.175 -0.275 1
1 860 . 17 1 1 A 72 72 ALA N N 72 126.100 122.558 3.542 1
1 861 . 17 1 1 A 73 73 ASN H H 73 8.180 8.314 -0.134 1
1 862 . 17 1 1 A 73 73 ASN HA H 73 4.410 4.447 -0.037 1
1 867 . 17 1 1 A 73 73 ASN CA C 73 55.900 55.526 0.374 1
1 868 . 17 1 1 A 73 73 ASN CB C 73 37.800 37.197 0.603 1
1 869 . 17 1 1 A 73 73 ASN N N 73 116.700 115.776 0.924 1
1 871 . 17 1 1 A 74 74 ASP H H 74 8.120 8.173 -0.053 1
1 872 . 17 1 1 A 74 74 ASP HA H 74 4.410 4.419 -0.009 1
1 875 . 17 1 1 A 74 74 ASP CA C 74 57.500 56.972 0.528 1
1 876 . 17 1 1 A 74 74 ASP CB C 74 41.400 40.734 0.666 1
1 877 . 17 1 1 A 74 74 ASP N N 74 120.800 120.919 -0.119 1
1 878 . 17 1 1 A 75 75 THR H H 75 8.360 8.011 0.349 1
1 879 . 17 1 1 A 75 75 THR HA H 75 3.750 4.048 -0.298 1
1 884 . 17 1 1 A 75 75 THR CA C 75 68.800 66.746 2.054 1
1 885 . 17 1 1 A 75 75 THR CB C 75 67.700 68.099 -0.399 1
1 887 . 17 1 1 A 75 75 THR N N 75 116.300 116.652 -0.352 1
1 888 . 17 1 1 A 76 76 LEU H H 76 8.160 7.830 0.330 1
1 889 . 17 1 1 A 76 76 LEU HA H 76 3.980 3.976 0.004 1
1 899 . 17 1 1 A 76 76 LEU CA C 76 58.000 58.327 -0.327 1
1 900 . 17 1 1 A 76 76 LEU CB C 76 40.500 41.500 -1.000 1
1 904 . 17 1 1 A 76 76 LEU N N 76 121.000 122.045 -1.045 1
1 905 . 17 1 1 A 77 77 ARG H H 77 7.810 8.100 -0.290 1
1 906 . 17 1 1 A 77 77 ARG HA H 77 3.790 3.995 -0.205 1
1 914 . 17 1 1 A 77 77 ARG CA C 77 60.000 59.870 0.130 1
1 915 . 17 1 1 A 77 77 ARG CB C 77 29.400 30.072 -0.672 1
1 918 . 17 1 1 A 77 77 ARG N N 77 118.400 117.739 0.661 1
1 920 . 17 1 1 A 78 78 TRP H H 78 7.870 7.835 0.035 1
1 921 . 17 1 1 A 78 78 TRP HA H 78 4.490 4.343 0.147 1
1 930 . 17 1 1 A 78 78 TRP CA C 78 60.200 60.902 -0.702 1
1 931 . 17 1 1 A 78 78 TRP CB C 78 28.700 29.733 -1.033 1
1 937 . 17 1 1 A 78 78 TRP N N 78 118.300 121.773 -3.473 1
1 939 . 17 1 1 A 79 79 LEU H H 79 8.630 8.623 0.007 1
1 940 . 17 1 1 A 79 79 LEU HA H 79 3.940 3.755 0.185 1
1 950 . 17 1 1 A 79 79 LEU CA C 79 58.200 58.301 -0.101 1
1 951 . 17 1 1 A 79 79 LEU CB C 79 42.300 41.920 0.380 1
1 955 . 17 1 1 A 79 79 LEU N N 79 120.200 120.388 -0.188 1
1 956 . 17 1 1 A 80 80 LYS H H 80 8.710 8.410 0.300 1
1 957 . 17 1 1 A 80 80 LYS HA H 80 3.880 4.151 -0.271 1
1 966 . 17 1 1 A 80 80 LYS CA C 80 61.300 59.075 2.225 1
1 967 . 17 1 1 A 80 80 LYS CB C 80 32.300 31.899 0.401 1
1 971 . 17 1 1 A 80 80 LYS N N 80 118.400 118.243 0.157 1
1 972 . 17 1 1 A 81 81 ARG H H 81 7.800 7.667 0.133 1
1 973 . 17 1 1 A 81 81 ARG HA H 81 4.030 4.033 -0.003 1
1 981 . 17 1 1 A 81 81 ARG CA C 81 59.700 58.654 1.046 1
1 982 . 17 1 1 A 81 81 ARG CB C 81 30.400 29.598 0.802 1
1 985 . 17 1 1 A 81 81 ARG N N 81 117.400 120.432 -3.032 1
1 987 . 17 1 1 A 82 82 MET H H 82 8.530 7.363 1.167 1
1 988 . 17 1 1 A 82 82 MET HA H 82 3.000 2.844 0.156 1
1 996 . 17 1 1 A 82 82 MET CA C 82 58.900 57.788 1.112 1
1 997 . 17 1 1 A 82 82 MET CB C 82 32.300 31.184 1.116 1
1 1000 . 17 1 1 A 82 82 MET N N 82 121.400 119.058 2.342 1
1 1001 . 17 1 1 A 83 83 PHE H H 83 8.340 7.914 0.426 1
1 1002 . 17 1 1 A 83 83 PHE HA H 83 4.340 4.180 0.160 1
1 1010 . 17 1 1 A 83 83 PHE CA C 83 61.900 60.850 1.050 1
1 1011 . 17 1 1 A 83 83 PHE CB C 83 38.800 38.022 0.778 1
1 1015 . 17 1 1 A 83 83 PHE N N 83 116.900 117.836 -0.936 1
1 1016 . 17 1 1 A 84 84 ASN H H 84 8.170 8.172 -0.002 1
1 1017 . 17 1 1 A 84 84 ASN HA H 84 4.670 4.422 0.248 1
1 1022 . 17 1 1 A 84 84 ASN CA C 84 55.800 56.202 -0.402 1
1 1023 . 17 1 1 A 84 84 ASN CB C 84 37.500 39.093 -1.593 1
1 1024 . 17 1 1 A 84 84 ASN N N 84 120.500 118.240 2.260 1
1 1026 . 17 1 1 A 85 85 TYR H H 85 7.910 8.003 -0.093 1
1 1027 . 17 1 1 A 85 85 TYR HA H 85 4.320 4.172 0.148 1
1 1034 . 17 1 1 A 85 85 TYR CA C 85 61.100 61.924 -0.824 1
1 1035 . 17 1 1 A 85 85 TYR CB C 85 37.900 38.510 -0.610 1
1 1038 . 17 1 1 A 85 85 TYR N N 85 124.000 120.880 3.120 1
1 1039 . 17 1 1 A 86 86 ALA H H 86 7.780 7.807 -0.027 1
1 1040 . 17 1 1 A 86 86 ALA HA H 86 3.670 4.154 -0.484 1
1 1044 . 17 1 1 A 86 86 ALA CA C 86 54.800 54.870 -0.070 1
1 1045 . 17 1 1 A 86 86 ALA CB C 86 18.100 18.407 -0.307 1
1 1046 . 17 1 1 A 86 86 ALA N N 86 120.500 121.538 -1.038 1
1 1047 . 17 1 1 A 87 87 ILE H H 87 7.880 7.832 0.048 1
1 1048 . 17 1 1 A 87 87 ILE HA H 87 4.240 3.500 0.740 1
1 1058 . 17 1 1 A 87 87 ILE CA C 87 63.900 65.197 -1.297 1
1 1059 . 17 1 1 A 87 87 ILE CB C 87 37.900 37.816 0.084 1
1 1063 . 17 1 1 A 87 87 ILE N N 87 120.400 119.354 1.046 1
1 1064 . 17 1 1 A 88 88 LYS H H 88 7.880 7.703 0.177 1
1 1065 . 17 1 1 A 88 88 LYS HA H 88 3.900 3.700 0.200 1
1 1074 . 17 1 1 A 88 88 LYS CA C 88 58.900 60.219 -1.319 1
1 1075 . 17 1 1 A 88 88 LYS CB C 88 31.300 32.071 -0.771 1
1 1079 . 17 1 1 A 88 88 LYS N N 88 124.300 118.839 5.461 1
1 1080 . 17 1 1 A 89 89 ARG H H 89 7.350 7.467 -0.117 1
1 1081 . 17 1 1 A 89 89 ARG HA H 89 4.020 4.131 -0.111 1
1 1088 . 17 1 1 A 89 89 ARG CA C 89 54.600 57.704 -3.104 1
1 1089 . 17 1 1 A 89 89 ARG CB C 89 29.100 30.783 -1.683 1
1 1092 . 17 1 1 A 89 89 ARG N N 89 114.300 120.373 -6.073 1
1 1093 . 17 1 1 A 90 90 HIS H H 90 8.030 7.807 0.223 1
1 1094 . 17 1 1 A 90 90 HIS HA H 90 4.330 4.246 0.084 1
1 1098 . 17 1 1 A 90 90 HIS CA C 90 56.300 56.773 -0.473 1
1 1099 . 17 1 1 A 90 90 HIS CB C 90 25.200 27.417 -2.217 1
1 1101 . 17 1 1 A 90 90 HIS N N 90 113.200 116.201 -3.001 1
1 1102 . 17 1 1 A 91 91 ILE H H 91 8.370 8.427 -0.057 1
1 1103 . 17 1 1 A 91 91 ILE HA H 91 3.830 3.976 -0.146 1
1 1113 . 17 1 1 A 91 91 ILE CA C 91 63.600 63.586 0.014 1
1 1114 . 17 1 1 A 91 91 ILE CB C 91 39.300 38.658 0.642 1
1 1118 . 17 1 1 A 91 91 ILE N N 91 118.400 116.914 1.486 1
1 1119 . 17 1 1 A 92 92 ILE H H 92 6.860 7.078 -0.218 1
1 1120 . 17 1 1 A 92 92 ILE HA H 92 4.570 4.490 0.080 1
1 1130 . 17 1 1 A 92 92 ILE CA C 92 58.800 59.146 -0.346 1
1 1131 . 17 1 1 A 92 92 ILE CB C 92 42.700 41.088 1.612 1
1 1135 . 17 1 1 A 92 92 ILE N N 92 108.600 116.746 -8.146 1
1 1136 . 17 1 1 A 93 93 GLU H H 93 8.690 8.359 0.331 1
1 1137 . 17 1 1 A 93 93 GLU HA H 93 4.470 4.314 0.156 1
1 1142 . 17 1 1 A 93 93 GLU CA C 93 56.400 56.282 0.118 1
1 1143 . 17 1 1 A 93 93 GLU CB C 93 31.200 29.609 1.591 1
1 1145 . 17 1 1 A 93 93 GLU N N 93 116.800 124.868 -8.068 1
1 1146 . 17 1 1 A 94 94 TYR H H 94 7.420 7.227 0.193 1
1 1147 . 17 1 1 A 94 94 TYR HA H 94 4.710 4.239 0.471 1
1 1154 . 17 1 1 A 94 94 TYR CA C 94 55.800 61.106 -5.306 1
1 1155 . 17 1 1 A 94 94 TYR CB C 94 40.600 38.593 2.007 1
1 1158 . 17 1 1 A 94 94 TYR N N 94 117.900 117.782 0.118 1
1 1159 . 17 1 1 A 95 95 ASN H H 95 8.960 8.119 0.841 1
1 1160 . 17 1 1 A 95 95 ASN HA H 95 4.550 4.192 0.358 1
1 1165 . 17 1 1 A 95 95 ASN CA C 95 49.700 53.732 -4.032 1
1 1166 . 17 1 1 A 95 95 ASN CB C 95 39.200 36.765 2.435 1
1 1167 . 17 1 1 A 95 95 ASN N N 95 122.500 117.900 4.600 1
1 1169 . 17 1 1 A 96 96 PRO HA H 96 4.300 4.206 0.094 1
1 1176 . 17 1 1 A 96 96 PRO CA C 96 64.000 64.558 -0.558 1
1 1177 . 17 1 1 A 96 96 PRO CB C 96 31.100 31.595 -0.495 1
1 1180 . 17 1 1 A 97 97 ALA H H 97 8.090 7.632 0.458 1
1 1181 . 17 1 1 A 97 97 ALA HA H 97 4.540 4.267 0.273 1
1 1185 . 17 1 1 A 97 97 ALA CA C 97 51.200 54.004 -2.804 1
1 1186 . 17 1 1 A 97 97 ALA CB C 97 18.900 18.630 0.270 1
1 1187 . 17 1 1 A 97 97 ALA N N 97 118.400 119.460 -1.060 1
1 1188 . 17 1 1 A 98 98 ALA H H 98 7.330 7.869 -0.539 1
1 1189 . 17 1 1 A 98 98 ALA HA H 98 3.990 4.195 -0.205 1
1 1193 . 17 1 1 A 98 98 ALA CA C 98 54.700 53.745 0.955 1
1 1194 . 17 1 1 A 98 98 ALA CB C 98 18.900 18.404 0.496 1
1 1195 . 17 1 1 A 98 98 ALA N N 98 120.500 119.823 0.677 1
1 1196 . 17 1 1 A 99 99 ALA H H 99 8.020 7.373 0.647 1
1 1197 . 17 1 1 A 99 99 ALA HA H 99 4.180 4.283 -0.103 1
1 1201 . 17 1 1 A 99 99 ALA CA C 99 52.500 54.522 -2.022 1
1 1202 . 17 1 1 A 99 99 ALA CB C 99 18.200 19.685 -1.485 1
1 1203 . 17 1 1 A 99 99 ALA N N 99 117.400 119.385 -1.985 1
1 1204 . 17 1 1 A 100 100 PHE H H 100 7.320 7.734 -0.414 1
1 1205 . 17 1 1 A 100 100 PHE HA H 100 4.360 4.790 -0.430 1
1 1210 . 17 1 1 A 100 100 PHE CA C 100 57.700 57.099 0.601 1
1 1211 . 17 1 1 A 100 100 PHE CB C 100 40.500 42.372 -1.872 1
1 1213 . 17 1 1 A 100 100 PHE N N 100 117.400 117.769 -0.369 1
1 1214 . 17 1 1 A 101 101 ASP H H 101 8.520 8.362 0.158 1
1 1215 . 17 1 1 A 101 101 ASP HA H 101 4.910 4.583 0.327 1
1 1218 . 17 1 1 A 101 101 ASP CA C 101 51.400 51.467 -0.067 1
1 1219 . 17 1 1 A 101 101 ASP CB C 101 41.400 43.311 -1.911 1
1 1220 . 17 1 1 A 101 101 ASP N N 101 122.600 125.127 -2.527 1
1 1221 . 17 1 1 A 102 102 PRO HA H 102 4.350 4.108 0.242 1
1 1228 . 17 1 1 A 102 102 PRO CA C 102 63.400 65.666 -2.266 1
1 1229 . 17 1 1 A 102 102 PRO CB C 102 31.900 31.352 0.548 1
1 1232 . 17 1 1 A 103 103 GLY H H 103 8.440 8.030 0.410 1
1 1233 . 17 1 1 A 103 103 GLY HA2 H 103 3.890 3.904 -0.014 1
1 1234 . 17 1 1 A 103 103 GLY HA3 H 103 3.860 3.915 -0.055 1
1 1235 . 17 1 1 A 103 103 GLY CA C 103 45.100 46.040 -0.940 1
1 1236 . 17 1 1 A 103 103 GLY N N 103 108.300 107.121 1.179 1
1 1237 . 17 1 1 A 104 104 ASP H H 104 8.100 8.779 -0.679 1
1 1238 . 17 1 1 A 104 104 ASP HA H 104 4.620 4.402 0.218 1
1 1241 . 17 1 1 A 104 104 ASP CA C 104 53.900 54.733 -0.833 1
1 1242 . 17 1 1 A 104 104 ASP CB C 104 40.700 39.136 1.564 1
1 1243 . 17 1 1 A 104 104 ASP N N 104 120.100 119.950 0.150 1
1 1244 . 17 1 1 A 105 105 ALA H H 105 8.360 7.942 0.418 1
1 1245 . 17 1 1 A 105 105 ALA HA H 105 4.270 4.004 0.266 1
1 1249 . 17 1 1 A 105 105 ALA CA C 105 52.900 55.018 -2.118 1
1 1250 . 17 1 1 A 105 105 ALA CB C 105 18.800 18.578 0.222 1
1 1251 . 17 1 1 A 105 105 ALA N N 105 124.600 127.169 -2.569 1
1 1252 . 17 1 1 A 106 106 GLY H H 106 8.470 8.024 0.446 1
1 1253 . 17 1 1 A 106 106 GLY HA2 H 106 3.930 3.717 0.213 1
1 1254 . 17 1 1 A 106 106 GLY HA3 H 106 3.910 3.720 0.190 1
1 1255 . 17 1 1 A 106 106 GLY CA C 106 45.400 46.721 -1.321 1
1 1256 . 17 1 1 A 106 106 GLY N N 106 107.500 106.452 1.048 1
1 1257 . 17 1 1 A 107 107 GLY H H 107 8.170 8.750 -0.580 1
1 1258 . 17 1 1 A 107 107 GLY HA2 H 107 3.950 3.936 0.014 1
1 1259 . 17 1 1 A 107 107 GLY HA3 H 107 3.940 3.939 0.001 1
1 1260 . 17 1 1 A 107 107 GLY CA C 107 45.300 46.298 -0.998 1
1 1261 . 17 1 1 A 107 107 GLY N N 107 108.600 107.699 0.901 1
1 1262 . 17 1 1 A 108 108 LYS H H 108 8.160 7.414 0.746 1
1 1263 . 17 1 1 A 108 108 LYS HA H 108 4.260 4.926 -0.666 1
1 1272 . 17 1 1 A 108 108 LYS CA C 108 56.500 54.057 2.443 1
1 1273 . 17 1 1 A 108 108 LYS CB C 108 32.800 35.444 -2.644 1
1 1277 . 17 1 1 A 108 108 LYS N N 108 120.500 115.996 4.504 1
1 1278 . 17 1 1 A 109 109 LEU H H 109 8.220 8.713 -0.493 1
1 1279 . 17 1 1 A 109 109 LEU HA H 109 4.260 4.739 -0.479 1
1 1289 . 17 1 1 A 109 109 LEU CA C 109 55.000 53.461 1.539 1
1 1290 . 17 1 1 A 109 109 LEU CB C 109 41.900 44.975 -3.075 1
1 1294 . 17 1 1 A 109 109 LEU N N 109 122.200 121.236 0.964 1
1 1295 . 17 1 1 A 110 110 GLU H H 110 8.160 8.462 -0.302 1
1 1296 . 17 1 1 A 110 110 GLU HA H 110 4.190 4.535 -0.345 1
1 1301 . 17 1 1 A 110 110 GLU CA C 110 56.000 56.675 -0.675 1
1 1302 . 17 1 1 A 110 110 GLU CB C 110 29.900 30.070 -0.170 1
1 1304 . 17 1 1 A 110 110 GLU N N 110 121.000 121.308 -0.308 1
1 1305 . 17 1 1 A 111 111 HIS H H 111 8.460 8.773 -0.313 1
1 1306 . 17 1 1 A 111 111 HIS HA H 111 4.630 4.742 -0.112 1
1 1309 . 17 1 1 A 111 111 HIS CA C 111 54.900 55.197 -0.297 1
1 1310 . 17 1 1 A 111 111 HIS CB C 111 28.700 31.592 -2.892 1
1 1311 . 17 1 1 A 111 111 HIS N N 111 118.900 125.543 -6.643 1
1 1312 . 17 1 1 A 112 112 HIS H H 112 8.540 7.751 0.789 1
1 1313 . 17 1 1 A 112 112 HIS HA H 112 4.640 5.137 -0.497 1
1 1316 . 17 1 1 A 112 112 HIS CA C 112 55.100 54.648 0.452 1
1 1317 . 17 1 1 A 112 112 HIS CB C 112 28.900 30.822 -1.922 1
1 1318 . 17 1 1 A 112 112 HIS N N 112 119.100 118.895 0.205 1
1 1319 . 17 1 1 A 113 113 HIS H H 113 8.630 8.778 -0.148 1
1 1320 . 17 1 1 A 113 113 HIS HA H 113 4.670 5.129 -0.459 1
1 1323 . 17 1 1 A 113 113 HIS CA C 113 55.200 53.832 1.368 1
1 1324 . 17 1 1 A 113 113 HIS CB C 113 28.900 32.715 -3.815 1
1 1325 . 17 1 1 A 113 113 HIS N N 113 119.400 119.723 -0.323 1
1 1326 . 17 1 1 A 114 114 HIS H H 114 8.670 8.936 -0.266 1
1 1327 . 17 1 1 A 114 114 HIS HA H 114 4.670 4.300 0.370 1
1 1330 . 17 1 1 A 114 114 HIS CA C 114 55.200 57.814 -2.614 1
1 1331 . 17 1 1 A 114 114 HIS CB C 114 29.100 29.844 -0.744 1
1 1332 . 17 1 1 A 114 114 HIS N N 114 120.400 120.594 -0.194 1
1 1333 . 17 1 1 A 115 115 HIS H H 115 8.560 7.247 1.313 1
1 1334 . 17 1 1 A 115 115 HIS HA H 115 4.660 4.569 0.091 1
1 1337 . 17 1 1 A 115 115 HIS CA C 115 55.300 56.766 -1.466 1
1 1338 . 17 1 1 A 115 115 HIS CB C 115 29.300 30.879 -1.579 1
1 1339 . 17 1 1 A 115 115 HIS N N 115 120.600 116.768 3.832 1
1 5 . 18 1 1 A 2 2 ALA H H 2 8.190 7.556 0.634 1
1 6 . 18 1 1 A 2 2 ALA HA H 2 4.510 4.285 0.225 1
1 10 . 18 1 1 A 2 2 ALA CA C 2 51.900 54.606 -2.706 1
1 11 . 18 1 1 A 2 2 ALA CB C 2 19.500 19.932 -0.432 1
1 12 . 18 1 1 A 2 2 ALA N N 2 124.100 121.362 2.738 1
1 13 . 18 1 1 A 3 3 GLU H H 3 8.740 8.050 0.690 1
1 14 . 18 1 1 A 3 3 GLU HA H 3 4.380 3.948 0.432 1
1 19 . 18 1 1 A 3 3 GLU CA C 3 56.000 58.952 -2.952 1
1 20 . 18 1 1 A 3 3 GLU CB C 3 29.900 28.258 1.642 1
1 22 . 18 1 1 A 3 3 GLU N N 3 120.700 113.731 6.969 1
1 23 . 18 1 1 A 4 4 LYS H H 4 8.580 8.482 0.098 1
1 24 . 18 1 1 A 4 4 LYS HA H 4 4.280 4.318 -0.038 1
1 33 . 18 1 1 A 4 4 LYS CA C 4 56.600 58.260 -1.660 1
1 34 . 18 1 1 A 4 4 LYS CB C 4 32.600 33.288 -0.688 1
1 38 . 18 1 1 A 4 4 LYS N N 4 122.500 119.397 3.103 1
1 39 . 18 1 1 A 5 5 ASN H H 5 8.560 7.566 0.994 1
1 40 . 18 1 1 A 5 5 ASN HA H 5 4.700 4.734 -0.034 1
1 45 . 18 1 1 A 5 5 ASN CA C 5 53.200 53.102 0.098 1
1 46 . 18 1 1 A 5 5 ASN CB C 5 38.900 39.074 -0.174 1
1 47 . 18 1 1 A 5 5 ASN N N 5 119.500 118.382 1.118 1
1 49 . 18 1 1 A 6 6 ALA H H 6 8.210 8.496 -0.286 1
1 50 . 18 1 1 A 6 6 ALA HA H 6 4.520 4.595 -0.075 1
1 54 . 18 1 1 A 6 6 ALA CA C 6 51.800 52.081 -0.281 1
1 55 . 18 1 1 A 6 6 ALA CB C 6 19.600 19.372 0.228 1
1 56 . 18 1 1 A 6 6 ALA N N 6 124.100 127.970 -3.870 1
1 57 . 18 1 1 A 7 7 TYR H H 7 8.740 8.800 -0.060 1
1 58 . 18 1 1 A 7 7 TYR HA H 7 4.700 5.201 -0.501 1
1 65 . 18 1 1 A 7 7 TYR CA C 7 58.900 56.747 2.153 1
1 66 . 18 1 1 A 7 7 TYR CB C 7 40.300 40.196 0.104 1
1 69 . 18 1 1 A 7 7 TYR N N 7 121.400 124.997 -3.597 1
1 70 . 18 1 1 A 8 8 THR H H 8 8.170 8.498 -0.328 1
1 71 . 18 1 1 A 8 8 THR HA H 8 5.220 4.994 0.226 1
1 76 . 18 1 1 A 8 8 THR CA C 8 59.800 59.699 0.101 1
1 77 . 18 1 1 A 8 8 THR CB C 8 71.600 72.100 -0.500 1
1 79 . 18 1 1 A 8 8 THR N N 8 113.700 117.555 -3.855 1
1 80 . 18 1 1 A 9 9 VAL H H 9 8.990 8.579 0.411 1
1 81 . 18 1 1 A 9 9 VAL HA H 9 3.370 3.965 -0.595 1
1 89 . 18 1 1 A 9 9 VAL CA C 9 66.700 64.549 2.151 1
1 90 . 18 1 1 A 9 9 VAL CB C 9 30.200 31.756 -1.556 1
1 93 . 18 1 1 A 9 9 VAL N N 9 121.400 122.507 -1.107 1
1 94 . 18 1 1 A 10 10 ALA H H 10 9.340 8.112 1.228 1
1 95 . 18 1 1 A 10 10 ALA HA H 10 3.720 3.949 -0.229 1
1 99 . 18 1 1 A 10 10 ALA CA C 10 55.800 55.492 0.308 1
1 100 . 18 1 1 A 10 10 ALA CB C 10 18.200 17.941 0.259 1
1 101 . 18 1 1 A 10 10 ALA N N 10 122.000 123.818 -1.818 1
1 102 . 18 1 1 A 11 11 GLN H H 11 7.330 7.272 0.058 1
1 103 . 18 1 1 A 11 11 GLN HA H 11 4.050 4.153 -0.103 1
1 110 . 18 1 1 A 11 11 GLN CA C 11 58.400 58.390 0.010 1
1 111 . 18 1 1 A 11 11 GLN CB C 11 28.700 28.089 0.611 1
1 113 . 18 1 1 A 11 11 GLN N N 11 115.300 117.718 -2.418 1
1 115 . 18 1 1 A 12 12 LEU H H 12 8.510 7.540 0.970 1
1 116 . 18 1 1 A 12 12 LEU HA H 12 4.200 4.600 -0.400 1
1 126 . 18 1 1 A 12 12 LEU CA C 12 57.600 57.701 -0.101 1
1 127 . 18 1 1 A 12 12 LEU CB C 12 41.700 41.469 0.231 1
1 131 . 18 1 1 A 12 12 LEU N N 12 121.500 122.419 -0.919 1
1 132 . 18 1 1 A 13 13 ALA H H 13 9.160 8.305 0.855 1
1 133 . 18 1 1 A 13 13 ALA HA H 13 3.990 4.139 -0.149 1
1 137 . 18 1 1 A 13 13 ALA CA C 13 55.400 55.563 -0.163 1
1 138 . 18 1 1 A 13 13 ALA CB C 13 17.700 17.986 -0.286 1
1 139 . 18 1 1 A 13 13 ALA N N 13 121.000 121.211 -0.211 1
1 140 . 18 1 1 A 14 14 ASP H H 14 7.920 8.422 -0.502 1
1 141 . 18 1 1 A 14 14 ASP HA H 14 4.480 4.889 -0.409 1
1 144 . 18 1 1 A 14 14 ASP CA C 14 57.200 57.783 -0.583 1
1 145 . 18 1 1 A 14 14 ASP CB C 14 39.500 40.276 -0.776 1
1 146 . 18 1 1 A 14 14 ASP N N 14 117.400 118.170 -0.770 1
1 147 . 18 1 1 A 15 15 GLU H H 15 8.210 8.426 -0.216 1
1 148 . 18 1 1 A 15 15 GLU HA H 15 4.110 4.000 0.110 1
1 153 . 18 1 1 A 15 15 GLU CA C 15 59.800 59.502 0.298 1
1 154 . 18 1 1 A 15 15 GLU CB C 15 30.100 29.691 0.409 1
1 156 . 18 1 1 A 15 15 GLU N N 15 122.500 120.175 2.325 1
1 157 . 18 1 1 A 16 16 TYR H H 16 9.230 8.397 0.833 1
1 158 . 18 1 1 A 16 16 TYR HA H 16 3.180 4.099 -0.919 1
1 165 . 18 1 1 A 16 16 TYR CA C 16 61.100 61.522 -0.422 1
1 166 . 18 1 1 A 16 16 TYR CB C 16 38.300 38.292 0.008 1
1 169 . 18 1 1 A 16 16 TYR N N 16 119.400 120.789 -1.389 1
1 170 . 18 1 1 A 17 17 PHE H H 17 8.700 8.289 0.411 1
1 171 . 18 1 1 A 17 17 PHE HA H 17 3.480 4.448 -0.968 1
1 178 . 18 1 1 A 17 17 PHE CA C 17 61.600 59.754 1.846 1
1 179 . 18 1 1 A 17 17 PHE CB C 17 39.300 37.941 1.359 1
1 182 . 18 1 1 A 17 17 PHE N N 17 118.400 117.671 0.729 1
1 183 . 18 1 1 A 18 18 GLU H H 18 8.280 7.840 0.440 1
1 184 . 18 1 1 A 18 18 GLU HA H 18 3.840 3.509 0.331 1
1 189 . 18 1 1 A 18 18 GLU CA C 18 58.800 58.931 -0.131 1
1 190 . 18 1 1 A 18 18 GLU CB C 18 29.000 28.742 0.258 1
1 192 . 18 1 1 A 18 18 GLU N N 18 118.500 120.191 -1.691 1
1 193 . 18 1 1 A 19 19 ARG H H 19 8.350 7.442 0.908 1
1 194 . 18 1 1 A 19 19 ARG HA H 19 4.200 4.018 0.182 1
1 202 . 18 1 1 A 19 19 ARG CA C 19 57.300 58.330 -1.030 1
1 203 . 18 1 1 A 19 19 ARG CB C 19 30.900 30.644 0.256 1
1 206 . 18 1 1 A 19 19 ARG N N 19 114.300 118.912 -4.612 1
1 208 . 18 1 1 A 20 20 MET H H 20 7.960 7.775 0.185 1
1 209 . 18 1 1 A 20 20 MET HA H 20 4.610 4.116 0.494 1
1 217 . 18 1 1 A 20 20 MET CA C 20 54.100 56.137 -2.037 1
1 218 . 18 1 1 A 20 20 MET CB C 20 31.800 32.616 -0.816 1
1 221 . 18 1 1 A 20 20 MET N N 20 112.400 118.245 -5.845 1
1 222 . 18 1 1 A 21 21 ILE H H 21 6.970 7.278 -0.308 1
1 223 . 18 1 1 A 21 21 ILE HA H 21 4.050 4.390 -0.340 1
1 233 . 18 1 1 A 21 21 ILE CA C 21 59.800 60.326 -0.526 1
1 234 . 18 1 1 A 21 21 ILE CB C 21 35.900 37.861 -1.961 1
1 238 . 18 1 1 A 21 21 ILE N N 21 117.900 115.146 2.754 1
1 239 . 18 1 1 A 22 22 ALA H H 22 7.700 7.367 0.333 1
1 240 . 18 1 1 A 22 22 ALA HA H 22 3.600 4.053 -0.453 1
1 244 . 18 1 1 A 22 22 ALA CA C 22 53.900 50.394 3.506 1
1 245 . 18 1 1 A 22 22 ALA CB C 22 18.000 19.232 -1.232 1
1 246 . 18 1 1 A 22 22 ALA N N 22 123.500 126.596 -3.096 1
1 247 . 18 1 1 A 23 23 GLY H H 23 8.460 8.465 -0.005 1
1 248 . 18 1 1 A 23 23 GLY HA2 H 23 3.960 4.291 -0.331 1
1 249 . 18 1 1 A 23 23 GLY HA3 H 23 3.820 4.311 -0.491 1
1 250 . 18 1 1 A 23 23 GLY CA C 23 45.600 46.153 -0.553 1
1 251 . 18 1 1 A 23 23 GLY N N 23 109.600 110.353 -0.753 1
1 252 . 18 1 1 A 24 24 ARG H H 24 7.830 8.636 -0.806 1
1 253 . 18 1 1 A 24 24 ARG HA H 24 4.440 4.877 -0.437 1
1 261 . 18 1 1 A 24 24 ARG CA C 24 56.700 55.557 1.143 1
1 262 . 18 1 1 A 24 24 ARG CB C 24 32.400 32.502 -0.102 1
1 265 . 18 1 1 A 24 24 ARG N N 24 118.400 121.500 -3.100 1
1 267 . 18 1 1 A 25 25 TRP H H 25 8.240 8.589 -0.349 1
1 268 . 18 1 1 A 25 25 TRP HA H 25 4.640 4.989 -0.349 1
1 277 . 18 1 1 A 25 25 TRP CA C 25 56.900 56.822 0.078 1
1 278 . 18 1 1 A 25 25 TRP CB C 25 31.400 31.537 -0.137 1
1 284 . 18 1 1 A 25 25 TRP N N 25 121.500 124.103 -2.603 1
1 286 . 18 1 1 A 26 26 LYS H H 26 7.890 6.929 0.961 1
1 287 . 18 1 1 A 26 26 LYS HA H 26 3.910 3.504 0.406 1
1 296 . 18 1 1 A 26 26 LYS CA C 26 56.800 56.752 0.048 1
1 297 . 18 1 1 A 26 26 LYS CB C 26 32.200 30.970 1.230 1
1 301 . 18 1 1 A 26 26 LYS N N 26 122.500 115.279 7.221 1
1 302 . 18 1 1 A 27 27 HIS H H 27 7.840 8.109 -0.269 1
1 303 . 18 1 1 A 27 27 HIS HA H 27 5.230 4.222 1.008 1
1 307 . 18 1 1 A 27 27 HIS CA C 27 53.200 56.380 -3.180 1
1 308 . 18 1 1 A 27 27 HIS CB C 27 28.200 27.734 0.466 1
1 310 . 18 1 1 A 27 27 HIS N N 27 112.700 118.539 -5.839 1
1 311 . 18 1 1 A 28 28 PRO HA H 28 4.120 4.743 -0.623 1
1 318 . 18 1 1 A 28 28 PRO CA C 28 65.400 65.652 -0.252 1
1 319 . 18 1 1 A 28 28 PRO CB C 28 32.200 32.421 -0.221 1
1 322 . 18 1 1 A 29 29 ASN H H 29 8.840 8.996 -0.156 1
1 323 . 18 1 1 A 29 29 ASN HA H 29 4.470 4.482 -0.012 1
1 328 . 18 1 1 A 29 29 ASN CA C 29 56.100 55.019 1.081 1
1 329 . 18 1 1 A 29 29 ASN CB C 29 37.000 37.070 -0.070 1
1 330 . 18 1 1 A 29 29 ASN N N 29 116.300 114.500 1.800 1
1 332 . 18 1 1 A 30 30 ILE H H 30 7.630 7.927 -0.297 1
1 333 . 18 1 1 A 30 30 ILE HA H 30 3.910 3.676 0.234 1
1 343 . 18 1 1 A 30 30 ILE CA C 30 63.700 64.850 -1.150 1
1 344 . 18 1 1 A 30 30 ILE CB C 30 37.300 37.892 -0.592 1
1 348 . 18 1 1 A 30 30 ILE N N 30 121.500 121.579 -0.079 1
1 349 . 18 1 1 A 31 31 VAL H H 31 6.920 7.727 -0.807 1
1 350 . 18 1 1 A 31 31 VAL HA H 31 3.020 3.787 -0.767 1
1 358 . 18 1 1 A 31 31 VAL CA C 31 65.500 64.871 0.629 1
1 359 . 18 1 1 A 31 31 VAL CB C 31 30.900 31.478 -0.578 1
1 362 . 18 1 1 A 31 31 VAL N N 31 119.900 121.259 -1.359 1
1 363 . 18 1 1 A 32 32 ARG H H 32 8.080 8.070 0.010 1
1 364 . 18 1 1 A 32 32 ARG HA H 32 3.380 3.621 -0.241 1
1 371 . 18 1 1 A 32 32 ARG CA C 32 58.900 59.605 -0.705 1
1 372 . 18 1 1 A 32 32 ARG CB C 32 28.800 29.402 -0.602 1
1 375 . 18 1 1 A 32 32 ARG N N 32 118.900 121.602 -2.702 1
1 376 . 18 1 1 A 33 33 SER H H 33 7.840 7.867 -0.027 1
1 377 . 18 1 1 A 33 33 SER HA H 33 4.130 4.103 0.027 1
1 380 . 18 1 1 A 33 33 SER CA C 33 61.900 61.107 0.793 1
1 381 . 18 1 1 A 33 33 SER CB C 33 62.700 63.164 -0.464 1
1 382 . 18 1 1 A 33 33 SER N N 33 113.400 114.028 -0.628 1
1 383 . 18 1 1 A 34 34 ARG H H 34 7.610 7.382 0.228 1
1 384 . 18 1 1 A 34 34 ARG HA H 34 4.370 4.035 0.335 1
1 392 . 18 1 1 A 34 34 ARG CA C 34 58.100 58.723 -0.623 1
1 393 . 18 1 1 A 34 34 ARG CB C 34 29.600 29.953 -0.353 1
1 396 . 18 1 1 A 34 34 ARG N N 34 119.900 121.070 -1.170 1
1 398 . 18 1 1 A 35 35 ILE H H 35 8.070 8.305 -0.235 1
1 399 . 18 1 1 A 35 35 ILE HA H 35 3.470 3.551 -0.081 1
1 409 . 18 1 1 A 35 35 ILE CA C 35 65.800 65.215 0.585 1
1 410 . 18 1 1 A 35 35 ILE CB C 35 38.200 37.672 0.528 1
1 414 . 18 1 1 A 35 35 ILE N N 35 118.600 119.825 -1.225 1
1 415 . 18 1 1 A 36 36 GLU H H 36 8.710 8.885 -0.175 1
1 416 . 18 1 1 A 36 36 GLU HA H 36 3.880 4.151 -0.271 1
1 421 . 18 1 1 A 36 36 GLU CA C 36 58.400 57.954 0.446 1
1 422 . 18 1 1 A 36 36 GLU CB C 36 30.000 28.201 1.799 1
1 424 . 18 1 1 A 36 36 GLU N N 36 116.800 120.020 -3.220 1
1 425 . 18 1 1 A 37 37 LYS H H 37 8.550 7.596 0.954 1
1 426 . 18 1 1 A 37 37 LYS HA H 37 4.300 4.419 -0.119 1
1 435 . 18 1 1 A 37 37 LYS CA C 37 57.300 57.193 0.107 1
1 436 . 18 1 1 A 37 37 LYS CB C 37 33.000 33.367 -0.367 1
1 440 . 18 1 1 A 37 37 LYS N N 37 114.300 118.861 -4.561 1
1 441 . 18 1 1 A 38 38 ASP H H 38 7.480 7.696 -0.216 1
1 442 . 18 1 1 A 38 38 ASP HA H 38 4.970 4.495 0.475 1
1 445 . 18 1 1 A 38 38 ASP CA C 38 55.300 56.615 -1.315 1
1 446 . 18 1 1 A 38 38 ASP CB C 38 42.700 41.338 1.362 1
1 447 . 18 1 1 A 38 38 ASP N N 38 113.900 120.004 -6.104 1
1 448 . 18 1 1 A 39 39 ILE H H 39 7.540 7.872 -0.332 1
1 449 . 18 1 1 A 39 39 ILE HA H 39 3.940 4.050 -0.110 1
1 459 . 18 1 1 A 39 39 ILE CA C 39 64.700 63.320 1.380 1
1 460 . 18 1 1 A 39 39 ILE CB C 39 39.000 39.103 -0.103 1
1 464 . 18 1 1 A 39 39 ILE N N 39 116.800 118.674 -1.874 1
1 465 . 18 1 1 A 40 40 LYS H H 40 8.840 7.901 0.939 1
1 466 . 18 1 1 A 40 40 LYS HA H 40 3.650 4.628 -0.978 1
1 475 . 18 1 1 A 40 40 LYS CA C 40 50.600 53.590 -2.990 1
1 476 . 18 1 1 A 40 40 LYS CB C 40 30.400 32.456 -2.056 1
1 480 . 18 1 1 A 40 40 LYS N N 40 118.400 117.501 0.899 1
1 481 . 18 1 1 A 41 41 PRO HA H 41 4.280 4.504 -0.224 1
1 488 . 18 1 1 A 41 41 PRO CA C 41 65.700 64.406 1.294 1
1 489 . 18 1 1 A 41 41 PRO CB C 41 30.700 31.972 -1.272 1
1 492 . 18 1 1 A 42 42 ALA H H 42 6.660 8.272 -1.612 1
1 493 . 18 1 1 A 42 42 ALA HA H 42 4.430 4.537 -0.107 1
1 497 . 18 1 1 A 42 42 ALA CA C 42 53.800 52.554 1.246 1
1 498 . 18 1 1 A 42 42 ALA CB C 42 20.800 21.706 -0.906 1
1 499 . 18 1 1 A 42 42 ALA N N 42 115.300 118.720 -3.420 1
1 500 . 18 1 1 A 43 43 ILE H H 43 7.540 8.024 -0.484 1
1 501 . 18 1 1 A 43 43 ILE HA H 43 4.810 3.981 0.829 1
1 511 . 18 1 1 A 43 43 ILE CA C 43 60.600 61.840 -1.240 1
1 512 . 18 1 1 A 43 43 ILE CB C 43 41.200 36.739 4.461 1
1 516 . 18 1 1 A 43 43 ILE N N 43 105.000 115.377 -10.377 1
1 517 . 18 1 1 A 44 44 GLY H H 44 8.500 8.238 0.262 1
1 518 . 18 1 1 A 44 44 GLY HA2 H 44 4.170 3.832 0.338 1
1 519 . 18 1 1 A 44 44 GLY HA3 H 44 3.430 3.837 -0.407 1
1 520 . 18 1 1 A 44 44 GLY CA C 44 47.300 46.828 0.472 1
1 521 . 18 1 1 A 44 44 GLY N N 44 109.600 112.730 -3.130 1
1 522 . 18 1 1 A 45 45 SER H H 45 8.120 7.745 0.375 1
1 523 . 18 1 1 A 45 45 SER HA H 45 4.440 4.615 -0.175 1
1 526 . 18 1 1 A 45 45 SER CA C 45 58.600 58.628 -0.028 1
1 527 . 18 1 1 A 45 45 SER CB C 45 63.400 63.850 -0.450 1
1 528 . 18 1 1 A 45 45 SER N N 45 110.400 114.457 -4.057 1
1 529 . 18 1 1 A 46 46 LEU H H 46 7.480 7.043 0.437 1
1 530 . 18 1 1 A 46 46 LEU HA H 46 4.180 4.333 -0.153 1
1 540 . 18 1 1 A 46 46 LEU CA C 46 54.800 53.892 0.908 1
1 541 . 18 1 1 A 46 46 LEU CB C 46 41.700 42.891 -1.191 1
1 545 . 18 1 1 A 46 46 LEU N N 46 122.600 122.491 0.109 1
1 546 . 18 1 1 A 47 47 LYS H H 47 8.790 8.158 0.632 1
1 547 . 18 1 1 A 47 47 LYS HA H 47 4.460 4.193 0.267 1
1 556 . 18 1 1 A 47 47 LYS CA C 47 56.700 56.595 0.105 1
1 557 . 18 1 1 A 47 47 LYS CB C 47 31.100 33.782 -2.682 1
1 561 . 18 1 1 A 47 47 LYS N N 47 120.800 123.671 -2.871 1
1 562 . 18 1 1 A 48 48 VAL H H 48 8.600 8.394 0.206 1
1 563 . 18 1 1 A 48 48 VAL HA H 48 3.470 3.737 -0.267 1
1 571 . 18 1 1 A 48 48 VAL CA C 48 66.900 66.158 0.742 1
1 572 . 18 1 1 A 48 48 VAL CB C 48 31.000 31.802 -0.802 1
1 575 . 18 1 1 A 48 48 VAL N N 48 123.000 125.078 -2.078 1
1 576 . 18 1 1 A 49 49 GLU H H 49 9.360 8.167 1.193 1
1 577 . 18 1 1 A 49 49 GLU HA H 49 4.180 4.087 0.093 1
1 582 . 18 1 1 A 49 49 GLU CA C 49 57.600 58.826 -1.226 1
1 583 . 18 1 1 A 49 49 GLU CB C 49 28.500 29.319 -0.819 1
1 585 . 18 1 1 A 49 49 GLU N N 49 115.300 120.618 -5.318 1
1 586 . 18 1 1 A 50 50 ASP H H 50 7.840 7.875 -0.035 1
1 587 . 18 1 1 A 50 50 ASP HA H 50 4.840 4.765 0.075 1
1 590 . 18 1 1 A 50 50 ASP CA C 50 53.800 54.034 -0.234 1
1 591 . 18 1 1 A 50 50 ASP CB C 50 41.400 41.068 0.332 1
1 592 . 18 1 1 A 50 50 ASP N N 50 118.900 117.946 0.954 1
1 593 . 18 1 1 A 51 51 VAL H H 51 7.150 7.716 -0.566 1
1 594 . 18 1 1 A 51 51 VAL HA H 51 3.950 4.303 -0.353 1
1 602 . 18 1 1 A 51 51 VAL CA C 51 63.700 62.847 0.853 1
1 603 . 18 1 1 A 51 51 VAL CB C 51 30.900 31.873 -0.973 1
1 606 . 18 1 1 A 51 51 VAL N N 51 119.900 119.806 0.094 1
1 607 . 18 1 1 A 52 52 LYS H H 52 11.840 7.304 4.536 1
1 608 . 18 1 1 A 52 52 LYS HA H 52 4.980 4.267 0.713 1
1 617 . 18 1 1 A 52 52 LYS CA C 52 52.800 55.115 -2.315 1
1 618 . 18 1 1 A 52 52 LYS CB C 52 33.100 31.674 1.426 1
1 622 . 18 1 1 A 52 52 LYS N N 52 133.900 123.732 10.168 1
1 623 . 18 1 1 A 53 53 PRO HA H 53 4.370 4.697 -0.327 1
1 630 . 18 1 1 A 53 53 PRO CA C 53 66.600 65.860 0.740 1
1 631 . 18 1 1 A 53 53 PRO CB C 53 31.600 31.569 0.031 1
1 634 . 18 1 1 A 54 54 ARG H H 54 8.180 8.823 -0.643 1
1 635 . 18 1 1 A 54 54 ARG HA H 54 4.200 4.107 0.093 1
1 643 . 18 1 1 A 54 54 ARG CA C 54 58.300 58.303 -0.003 1
1 644 . 18 1 1 A 54 54 ARG CB C 54 28.700 29.130 -0.430 1
1 647 . 18 1 1 A 54 54 ARG N N 54 113.800 116.142 -2.342 1
1 649 . 18 1 1 A 55 55 HIS H H 55 7.650 7.830 -0.180 1
1 650 . 18 1 1 A 55 55 HIS HA H 55 4.430 4.412 0.018 1
1 655 . 18 1 1 A 55 55 HIS CA C 55 60.500 59.854 0.646 1
1 656 . 18 1 1 A 55 55 HIS CB C 55 31.400 30.948 0.452 1
1 659 . 18 1 1 A 55 55 HIS N N 55 118.400 117.403 0.997 1
1 660 . 18 1 1 A 56 56 ILE H H 56 7.280 7.824 -0.544 1
1 661 . 18 1 1 A 56 56 ILE HA H 56 3.480 3.546 -0.066 1
1 671 . 18 1 1 A 56 56 ILE CA C 56 61.900 65.139 -3.239 1
1 672 . 18 1 1 A 56 56 ILE CB C 56 33.900 37.565 -3.665 1
1 676 . 18 1 1 A 56 56 ILE N N 56 117.400 119.979 -2.579 1
1 677 . 18 1 1 A 57 57 ASP H H 57 8.010 8.216 -0.206 1
1 678 . 18 1 1 A 57 57 ASP HA H 57 4.220 4.348 -0.128 1
1 681 . 18 1 1 A 57 57 ASP CA C 57 57.200 57.960 -0.760 1
1 682 . 18 1 1 A 57 57 ASP CB C 57 40.900 42.376 -1.476 1
1 683 . 18 1 1 A 57 57 ASP N N 57 119.400 121.786 -2.386 1
1 684 . 18 1 1 A 58 58 ASP H H 58 8.000 7.869 0.131 1
1 685 . 18 1 1 A 58 58 ASP HA H 58 4.380 4.425 -0.045 1
1 688 . 18 1 1 A 58 58 ASP CA C 58 57.600 57.130 0.470 1
1 689 . 18 1 1 A 58 58 ASP CB C 58 39.200 41.131 -1.931 1
1 690 . 18 1 1 A 58 58 ASP N N 58 117.400 119.899 -2.499 1
1 691 . 18 1 1 A 59 59 VAL H H 59 7.800 8.030 -0.230 1
1 692 . 18 1 1 A 59 59 VAL HA H 59 3.620 3.791 -0.171 1
1 700 . 18 1 1 A 59 59 VAL CA C 59 66.200 65.847 0.353 1
1 701 . 18 1 1 A 59 59 VAL CB C 59 31.400 31.227 0.173 1
1 704 . 18 1 1 A 59 59 VAL N N 59 121.200 117.164 4.036 1
1 705 . 18 1 1 A 60 60 LEU H H 60 8.030 7.941 0.089 1
1 706 . 18 1 1 A 60 60 LEU HA H 60 3.870 3.839 0.031 1
1 716 . 18 1 1 A 60 60 LEU CA C 60 58.000 57.703 0.297 1
1 717 . 18 1 1 A 60 60 LEU CB C 60 40.300 40.875 -0.575 1
1 721 . 18 1 1 A 60 60 LEU N N 60 118.900 121.871 -2.971 1
1 722 . 18 1 1 A 61 61 LYS H H 61 8.710 7.740 0.970 1
1 723 . 18 1 1 A 61 61 LYS HA H 61 3.920 3.962 -0.042 1
1 732 . 18 1 1 A 61 61 LYS CA C 61 59.600 59.888 -0.288 1
1 733 . 18 1 1 A 61 61 LYS CB C 61 32.500 32.525 -0.025 1
1 737 . 18 1 1 A 61 61 LYS N N 61 118.300 118.733 -0.433 1
1 738 . 18 1 1 A 62 62 ALA H H 62 7.590 7.653 -0.063 1
1 739 . 18 1 1 A 62 62 ALA HA H 62 4.170 4.044 0.126 1
1 743 . 18 1 1 A 62 62 ALA CA C 62 55.100 55.254 -0.154 1
1 744 . 18 1 1 A 62 62 ALA CB C 62 17.900 18.563 -0.663 1
1 745 . 18 1 1 A 62 62 ALA N N 62 121.000 122.378 -1.378 1
1 746 . 18 1 1 A 63 63 VAL H H 63 8.090 8.051 0.039 1
1 747 . 18 1 1 A 63 63 VAL HA H 63 3.710 3.797 -0.087 1
1 755 . 18 1 1 A 63 63 VAL CA C 63 65.700 64.856 0.844 1
1 756 . 18 1 1 A 63 63 VAL CB C 63 31.700 31.417 0.283 1
1 759 . 18 1 1 A 63 63 VAL N N 63 118.000 116.356 1.644 1
1 760 . 18 1 1 A 64 64 MET H H 64 8.360 7.751 0.609 1
1 761 . 18 1 1 A 64 64 MET HA H 64 4.110 4.240 -0.130 1
1 769 . 18 1 1 A 64 64 MET CA C 64 57.600 57.559 0.041 1
1 770 . 18 1 1 A 64 64 MET CB C 64 31.700 31.515 0.185 1
1 773 . 18 1 1 A 64 64 MET N N 64 119.400 120.627 -1.227 1
1 774 . 18 1 1 A 65 65 LYS H H 65 7.660 7.551 0.109 1
1 775 . 18 1 1 A 65 65 LYS HA H 65 4.170 4.042 0.128 1
1 784 . 18 1 1 A 65 65 LYS CA C 65 58.100 59.265 -1.165 1
1 785 . 18 1 1 A 65 65 LYS CB C 65 32.500 32.724 -0.224 1
1 789 . 18 1 1 A 65 65 LYS N N 65 118.900 120.609 -1.709 1
1 790 . 18 1 1 A 66 66 ARG H H 66 7.600 8.450 -0.850 1
1 791 . 18 1 1 A 66 66 ARG HA H 66 4.430 4.153 0.277 1
1 799 . 18 1 1 A 66 66 ARG CA C 66 56.600 57.696 -1.096 1
1 800 . 18 1 1 A 66 66 ARG CB C 66 30.400 30.197 0.203 1
1 803 . 18 1 1 A 66 66 ARG N N 66 115.800 118.253 -2.453 1
1 805 . 18 1 1 A 67 67 GLY H H 67 7.830 7.705 0.125 1
1 806 . 18 1 1 A 67 67 GLY HA2 H 67 4.010 4.041 -0.031 1
1 807 . 18 1 1 A 67 67 GLY HA3 H 67 3.980 4.046 -0.066 1
1 808 . 18 1 1 A 67 67 GLY CA C 67 45.700 45.192 0.508 1
1 809 . 18 1 1 A 67 67 GLY N N 67 107.400 109.445 -2.045 1
1 810 . 18 1 1 A 68 68 ALA H H 68 7.730 7.777 -0.047 1
1 811 . 18 1 1 A 68 68 ALA HA H 68 4.980 4.553 0.427 1
1 815 . 18 1 1 A 68 68 ALA CA C 68 49.700 50.375 -0.675 1
1 816 . 18 1 1 A 68 68 ALA CB C 68 18.900 21.955 -3.055 1
1 817 . 18 1 1 A 68 68 ALA N N 68 122.500 121.330 1.170 1
1 818 . 18 1 1 A 69 69 PRO HA H 69 4.350 4.296 0.054 1
1 825 . 18 1 1 A 69 69 PRO CA C 69 65.400 64.575 0.825 1
1 826 . 18 1 1 A 69 69 PRO CB C 69 31.700 32.085 -0.385 1
1 829 . 18 1 1 A 70 70 SER H H 70 8.430 8.499 -0.069 1
1 830 . 18 1 1 A 70 70 SER HA H 70 4.250 4.320 -0.070 1
1 833 . 18 1 1 A 70 70 SER CA C 70 61.000 61.249 -0.249 1
1 834 . 18 1 1 A 70 70 SER CB C 70 61.500 62.909 -1.409 1
1 835 . 18 1 1 A 70 70 SER N N 70 112.200 113.494 -1.294 1
1 836 . 18 1 1 A 71 71 ILE H H 71 7.430 8.039 -0.609 1
1 837 . 18 1 1 A 71 71 ILE HA H 71 3.980 3.748 0.232 1
1 847 . 18 1 1 A 71 71 ILE CA C 71 63.100 65.029 -1.929 1
1 848 . 18 1 1 A 71 71 ILE CB C 71 36.700 37.911 -1.211 1
1 852 . 18 1 1 A 71 71 ILE N N 71 122.000 122.553 -0.553 1
1 853 . 18 1 1 A 72 72 ALA H H 72 7.780 7.954 -0.174 1
1 854 . 18 1 1 A 72 72 ALA HA H 72 3.910 4.159 -0.249 1
1 858 . 18 1 1 A 72 72 ALA CA C 72 55.800 55.517 0.283 1
1 859 . 18 1 1 A 72 72 ALA CB C 72 17.900 18.082 -0.182 1
1 860 . 18 1 1 A 72 72 ALA N N 72 126.100 122.393 3.707 1
1 861 . 18 1 1 A 73 73 ASN H H 73 8.180 8.066 0.114 1
1 862 . 18 1 1 A 73 73 ASN HA H 73 4.410 4.491 -0.081 1
1 867 . 18 1 1 A 73 73 ASN CA C 73 55.900 55.830 0.070 1
1 868 . 18 1 1 A 73 73 ASN CB C 73 37.800 37.434 0.366 1
1 869 . 18 1 1 A 73 73 ASN N N 73 116.700 115.422 1.278 1
1 871 . 18 1 1 A 74 74 ASP H H 74 8.120 7.766 0.354 1
1 872 . 18 1 1 A 74 74 ASP HA H 74 4.410 4.405 0.005 1
1 875 . 18 1 1 A 74 74 ASP CA C 74 57.500 57.075 0.425 1
1 876 . 18 1 1 A 74 74 ASP CB C 74 41.400 40.979 0.421 1
1 877 . 18 1 1 A 74 74 ASP N N 74 120.800 120.536 0.264 1
1 878 . 18 1 1 A 75 75 THR H H 75 8.360 8.577 -0.217 1
1 879 . 18 1 1 A 75 75 THR HA H 75 3.750 4.140 -0.390 1
1 884 . 18 1 1 A 75 75 THR CA C 75 68.800 65.222 3.578 1
1 885 . 18 1 1 A 75 75 THR CB C 75 67.700 68.680 -0.980 1
1 887 . 18 1 1 A 75 75 THR N N 75 116.300 114.200 2.100 1
1 888 . 18 1 1 A 76 76 LEU H H 76 8.160 7.986 0.174 1
1 889 . 18 1 1 A 76 76 LEU HA H 76 3.980 4.009 -0.029 1
1 899 . 18 1 1 A 76 76 LEU CA C 76 58.000 58.158 -0.158 1
1 900 . 18 1 1 A 76 76 LEU CB C 76 40.500 41.740 -1.240 1
1 904 . 18 1 1 A 76 76 LEU N N 76 121.000 124.292 -3.292 1
1 905 . 18 1 1 A 77 77 ARG H H 77 7.810 8.296 -0.486 1
1 906 . 18 1 1 A 77 77 ARG HA H 77 3.790 3.996 -0.206 1
1 914 . 18 1 1 A 77 77 ARG CA C 77 60.000 59.813 0.187 1
1 915 . 18 1 1 A 77 77 ARG CB C 77 29.400 29.641 -0.241 1
1 918 . 18 1 1 A 77 77 ARG N N 77 118.400 119.187 -0.787 1
1 920 . 18 1 1 A 78 78 TRP H H 78 7.870 8.011 -0.141 1
1 921 . 18 1 1 A 78 78 TRP HA H 78 4.490 4.341 0.149 1
1 930 . 18 1 1 A 78 78 TRP CA C 78 60.200 60.990 -0.790 1
1 931 . 18 1 1 A 78 78 TRP CB C 78 28.700 29.544 -0.844 1
1 937 . 18 1 1 A 78 78 TRP N N 78 118.300 122.223 -3.923 1
1 939 . 18 1 1 A 79 79 LEU H H 79 8.630 9.168 -0.538 1
1 940 . 18 1 1 A 79 79 LEU HA H 79 3.940 3.443 0.497 1
1 950 . 18 1 1 A 79 79 LEU CA C 79 58.200 57.776 0.424 1
1 951 . 18 1 1 A 79 79 LEU CB C 79 42.300 41.309 0.991 1
1 955 . 18 1 1 A 79 79 LEU N N 79 120.200 119.343 0.857 1
1 956 . 18 1 1 A 80 80 LYS H H 80 8.710 8.524 0.186 1
1 957 . 18 1 1 A 80 80 LYS HA H 80 3.880 3.970 -0.090 1
1 966 . 18 1 1 A 80 80 LYS CA C 80 61.300 60.132 1.168 1
1 967 . 18 1 1 A 80 80 LYS CB C 80 32.300 32.540 -0.240 1
1 971 . 18 1 1 A 80 80 LYS N N 80 118.400 118.287 0.113 1
1 972 . 18 1 1 A 81 81 ARG H H 81 7.800 8.184 -0.384 1
1 973 . 18 1 1 A 81 81 ARG HA H 81 4.030 3.965 0.065 1
1 981 . 18 1 1 A 81 81 ARG CA C 81 59.700 59.337 0.363 1
1 982 . 18 1 1 A 81 81 ARG CB C 81 30.400 29.957 0.443 1
1 985 . 18 1 1 A 81 81 ARG N N 81 117.400 118.293 -0.893 1
1 987 . 18 1 1 A 82 82 MET H H 82 8.530 7.704 0.826 1
1 988 . 18 1 1 A 82 82 MET HA H 82 3.000 3.950 -0.950 1
1 996 . 18 1 1 A 82 82 MET CA C 82 58.900 58.383 0.517 1
1 997 . 18 1 1 A 82 82 MET CB C 82 32.300 31.456 0.844 1
1 1000 . 18 1 1 A 82 82 MET N N 82 121.400 118.676 2.724 1
1 1001 . 18 1 1 A 83 83 PHE H H 83 8.340 8.383 -0.043 1
1 1002 . 18 1 1 A 83 83 PHE HA H 83 4.340 4.358 -0.018 1
1 1010 . 18 1 1 A 83 83 PHE CA C 83 61.900 61.344 0.556 1
1 1011 . 18 1 1 A 83 83 PHE CB C 83 38.800 38.653 0.147 1
1 1015 . 18 1 1 A 83 83 PHE N N 83 116.900 118.080 -1.180 1
1 1016 . 18 1 1 A 84 84 ASN H H 84 8.170 8.587 -0.417 1
1 1017 . 18 1 1 A 84 84 ASN HA H 84 4.670 4.564 0.106 1
1 1022 . 18 1 1 A 84 84 ASN CA C 84 55.800 56.435 -0.635 1
1 1023 . 18 1 1 A 84 84 ASN CB C 84 37.500 38.559 -1.059 1
1 1024 . 18 1 1 A 84 84 ASN N N 84 120.500 118.338 2.162 1
1 1026 . 18 1 1 A 85 85 TYR H H 85 7.910 8.562 -0.652 1
1 1027 . 18 1 1 A 85 85 TYR HA H 85 4.320 4.195 0.125 1
1 1034 . 18 1 1 A 85 85 TYR CA C 85 61.100 61.964 -0.864 1
1 1035 . 18 1 1 A 85 85 TYR CB C 85 37.900 38.578 -0.678 1
1 1038 . 18 1 1 A 85 85 TYR N N 85 124.000 120.792 3.208 1
1 1039 . 18 1 1 A 86 86 ALA H H 86 7.780 8.305 -0.525 1
1 1040 . 18 1 1 A 86 86 ALA HA H 86 3.670 4.112 -0.442 1
1 1044 . 18 1 1 A 86 86 ALA CA C 86 54.800 55.127 -0.327 1
1 1045 . 18 1 1 A 86 86 ALA CB C 86 18.100 18.465 -0.365 1
1 1046 . 18 1 1 A 86 86 ALA N N 86 120.500 121.506 -1.006 1
1 1047 . 18 1 1 A 87 87 ILE H H 87 7.880 7.823 0.057 1
1 1048 . 18 1 1 A 87 87 ILE HA H 87 4.240 3.918 0.322 1
1 1058 . 18 1 1 A 87 87 ILE CA C 87 63.900 65.254 -1.354 1
1 1059 . 18 1 1 A 87 87 ILE CB C 87 37.900 37.420 0.480 1
1 1063 . 18 1 1 A 87 87 ILE N N 87 120.400 119.251 1.149 1
1 1064 . 18 1 1 A 88 88 LYS H H 88 7.880 7.809 0.071 1
1 1065 . 18 1 1 A 88 88 LYS HA H 88 3.900 3.878 0.022 1
1 1074 . 18 1 1 A 88 88 LYS CA C 88 58.900 60.280 -1.380 1
1 1075 . 18 1 1 A 88 88 LYS CB C 88 31.300 32.163 -0.863 1
1 1079 . 18 1 1 A 88 88 LYS N N 88 124.300 119.511 4.789 1
1 1080 . 18 1 1 A 89 89 ARG H H 89 7.350 7.349 0.001 1
1 1081 . 18 1 1 A 89 89 ARG HA H 89 4.020 4.236 -0.216 1
1 1088 . 18 1 1 A 89 89 ARG CA C 89 54.600 56.021 -1.421 1
1 1089 . 18 1 1 A 89 89 ARG CB C 89 29.100 30.397 -1.297 1
1 1092 . 18 1 1 A 89 89 ARG N N 89 114.300 117.084 -2.784 1
1 1093 . 18 1 1 A 90 90 HIS H H 90 8.030 7.837 0.193 1
1 1094 . 18 1 1 A 90 90 HIS HA H 90 4.330 4.211 0.119 1
1 1098 . 18 1 1 A 90 90 HIS CA C 90 56.300 56.487 -0.187 1
1 1099 . 18 1 1 A 90 90 HIS CB C 90 25.200 28.283 -3.083 1
1 1101 . 18 1 1 A 90 90 HIS N N 90 113.200 116.209 -3.009 1
1 1102 . 18 1 1 A 91 91 ILE H H 91 8.370 8.306 0.064 1
1 1103 . 18 1 1 A 91 91 ILE HA H 91 3.830 3.746 0.084 1
1 1113 . 18 1 1 A 91 91 ILE CA C 91 63.600 63.832 -0.232 1
1 1114 . 18 1 1 A 91 91 ILE CB C 91 39.300 38.551 0.749 1
1 1118 . 18 1 1 A 91 91 ILE N N 91 118.400 116.968 1.432 1
1 1119 . 18 1 1 A 92 92 ILE H H 92 6.860 7.624 -0.764 1
1 1120 . 18 1 1 A 92 92 ILE HA H 92 4.570 4.677 -0.107 1
1 1130 . 18 1 1 A 92 92 ILE CA C 92 58.800 58.761 0.039 1
1 1131 . 18 1 1 A 92 92 ILE CB C 92 42.700 41.413 1.287 1
1 1135 . 18 1 1 A 92 92 ILE N N 92 108.600 116.582 -7.982 1
1 1136 . 18 1 1 A 93 93 GLU H H 93 8.690 8.752 -0.062 1
1 1137 . 18 1 1 A 93 93 GLU HA H 93 4.470 4.426 0.044 1
1 1142 . 18 1 1 A 93 93 GLU CA C 93 56.400 55.997 0.403 1
1 1143 . 18 1 1 A 93 93 GLU CB C 93 31.200 29.041 2.159 1
1 1145 . 18 1 1 A 93 93 GLU N N 93 116.800 120.847 -4.047 1
1 1146 . 18 1 1 A 94 94 TYR H H 94 7.420 7.593 -0.173 1
1 1147 . 18 1 1 A 94 94 TYR HA H 94 4.710 5.175 -0.465 1
1 1154 . 18 1 1 A 94 94 TYR CA C 94 55.800 56.987 -1.187 1
1 1155 . 18 1 1 A 94 94 TYR CB C 94 40.600 42.225 -1.625 1
1 1158 . 18 1 1 A 94 94 TYR N N 94 117.900 120.237 -2.337 1
1 1159 . 18 1 1 A 95 95 ASN H H 95 8.960 8.851 0.109 1
1 1160 . 18 1 1 A 95 95 ASN HA H 95 4.550 5.193 -0.643 1
1 1165 . 18 1 1 A 95 95 ASN CA C 95 49.700 49.420 0.280 1
1 1166 . 18 1 1 A 95 95 ASN CB C 95 39.200 39.325 -0.125 1
1 1167 . 18 1 1 A 95 95 ASN N N 95 122.500 122.641 -0.141 1
1 1169 . 18 1 1 A 96 96 PRO HA H 96 4.300 4.221 0.079 1
1 1176 . 18 1 1 A 96 96 PRO CA C 96 64.000 64.428 -0.428 1
1 1177 . 18 1 1 A 96 96 PRO CB C 96 31.100 31.566 -0.466 1
1 1180 . 18 1 1 A 97 97 ALA H H 97 8.090 8.057 0.033 1
1 1181 . 18 1 1 A 97 97 ALA HA H 97 4.540 4.327 0.213 1
1 1185 . 18 1 1 A 97 97 ALA CA C 97 51.200 54.181 -2.981 1
1 1186 . 18 1 1 A 97 97 ALA CB C 97 18.900 18.520 0.380 1
1 1187 . 18 1 1 A 97 97 ALA N N 97 118.400 119.519 -1.119 1
1 1188 . 18 1 1 A 98 98 ALA H H 98 7.330 7.851 -0.521 1
1 1189 . 18 1 1 A 98 98 ALA HA H 98 3.990 4.256 -0.266 1
1 1193 . 18 1 1 A 98 98 ALA CA C 98 54.700 53.834 0.866 1
1 1194 . 18 1 1 A 98 98 ALA CB C 98 18.900 18.239 0.661 1
1 1195 . 18 1 1 A 98 98 ALA N N 98 120.500 119.994 0.506 1
1 1196 . 18 1 1 A 99 99 ALA H H 99 8.020 7.474 0.546 1
1 1197 . 18 1 1 A 99 99 ALA HA H 99 4.180 4.172 0.008 1
1 1201 . 18 1 1 A 99 99 ALA CA C 99 52.500 54.924 -2.424 1
1 1202 . 18 1 1 A 99 99 ALA CB C 99 18.200 18.681 -0.481 1
1 1203 . 18 1 1 A 99 99 ALA N N 99 117.400 120.646 -3.246 1
1 1204 . 18 1 1 A 100 100 PHE H H 100 7.320 7.929 -0.609 1
1 1205 . 18 1 1 A 100 100 PHE HA H 100 4.360 4.271 0.089 1
1 1210 . 18 1 1 A 100 100 PHE CA C 100 57.700 60.409 -2.709 1
1 1211 . 18 1 1 A 100 100 PHE CB C 100 40.500 40.585 -0.085 1
1 1213 . 18 1 1 A 100 100 PHE N N 100 117.400 118.951 -1.551 1
1 1214 . 18 1 1 A 101 101 ASP H H 101 8.520 8.029 0.491 1
1 1215 . 18 1 1 A 101 101 ASP HA H 101 4.910 4.914 -0.004 1
1 1218 . 18 1 1 A 101 101 ASP CA C 101 51.400 51.784 -0.384 1
1 1219 . 18 1 1 A 101 101 ASP CB C 101 41.400 42.443 -1.043 1
1 1220 . 18 1 1 A 101 101 ASP N N 101 122.600 117.731 4.869 1
1 1221 . 18 1 1 A 102 102 PRO HA H 102 4.350 4.365 -0.015 1
1 1228 . 18 1 1 A 102 102 PRO CA C 102 63.400 64.483 -1.083 1
1 1229 . 18 1 1 A 102 102 PRO CB C 102 31.900 32.023 -0.123 1
1 1232 . 18 1 1 A 103 103 GLY H H 103 8.440 8.418 0.022 1
1 1233 . 18 1 1 A 103 103 GLY HA2 H 103 3.890 3.922 -0.032 1
1 1234 . 18 1 1 A 103 103 GLY HA3 H 103 3.860 3.936 -0.076 1
1 1235 . 18 1 1 A 103 103 GLY CA C 103 45.100 46.705 -1.605 1
1 1236 . 18 1 1 A 103 103 GLY N N 103 108.300 109.973 -1.673 1
1 1237 . 18 1 1 A 104 104 ASP H H 104 8.100 9.003 -0.903 1
1 1238 . 18 1 1 A 104 104 ASP HA H 104 4.620 4.352 0.268 1
1 1241 . 18 1 1 A 104 104 ASP CA C 104 53.900 54.869 -0.969 1
1 1242 . 18 1 1 A 104 104 ASP CB C 104 40.700 39.292 1.408 1
1 1243 . 18 1 1 A 104 104 ASP N N 104 120.100 123.190 -3.090 1
1 1244 . 18 1 1 A 105 105 ALA H H 105 8.360 7.892 0.468 1
1 1245 . 18 1 1 A 105 105 ALA HA H 105 4.270 4.581 -0.311 1
1 1249 . 18 1 1 A 105 105 ALA CA C 105 52.900 51.122 1.778 1
1 1250 . 18 1 1 A 105 105 ALA CB C 105 18.800 18.824 -0.024 1
1 1251 . 18 1 1 A 105 105 ALA N N 105 124.600 121.790 2.810 1
1 1252 . 18 1 1 A 106 106 GLY H H 106 8.470 8.738 -0.268 1
1 1253 . 18 1 1 A 106 106 GLY HA2 H 106 3.930 3.894 0.036 1
1 1254 . 18 1 1 A 106 106 GLY HA3 H 106 3.910 3.897 0.013 1
1 1255 . 18 1 1 A 106 106 GLY CA C 106 45.400 46.980 -1.580 1
1 1256 . 18 1 1 A 106 106 GLY N N 106 107.500 111.146 -3.646 1
1 1257 . 18 1 1 A 107 107 GLY H H 107 8.170 7.978 0.192 1
1 1258 . 18 1 1 A 107 107 GLY HA2 H 107 3.950 4.135 -0.185 1
1 1259 . 18 1 1 A 107 107 GLY HA3 H 107 3.940 4.137 -0.197 1
1 1260 . 18 1 1 A 107 107 GLY CA C 107 45.300 45.359 -0.059 1
1 1261 . 18 1 1 A 107 107 GLY N N 107 108.600 112.812 -4.212 1
1 1262 . 18 1 1 A 108 108 LYS H H 108 8.160 8.338 -0.178 1
1 1263 . 18 1 1 A 108 108 LYS HA H 108 4.260 4.181 0.079 1
1 1272 . 18 1 1 A 108 108 LYS CA C 108 56.500 56.997 -0.497 1
1 1273 . 18 1 1 A 108 108 LYS CB C 108 32.800 31.218 1.582 1
1 1277 . 18 1 1 A 108 108 LYS N N 108 120.500 113.249 7.251 1
1 1278 . 18 1 1 A 109 109 LEU H H 109 8.220 8.372 -0.152 1
1 1279 . 18 1 1 A 109 109 LEU HA H 109 4.260 4.547 -0.287 1
1 1289 . 18 1 1 A 109 109 LEU CA C 109 55.000 56.563 -1.563 1
1 1290 . 18 1 1 A 109 109 LEU CB C 109 41.900 44.614 -2.714 1
1 1294 . 18 1 1 A 109 109 LEU N N 109 122.200 127.226 -5.026 1
1 1295 . 18 1 1 A 110 110 GLU H H 110 8.160 7.857 0.303 1
1 1296 . 18 1 1 A 110 110 GLU HA H 110 4.190 4.823 -0.633 1
1 1301 . 18 1 1 A 110 110 GLU CA C 110 56.000 55.407 0.593 1
1 1302 . 18 1 1 A 110 110 GLU CB C 110 29.900 33.352 -3.452 1
1 1304 . 18 1 1 A 110 110 GLU N N 110 121.000 114.255 6.745 1
1 1305 . 18 1 1 A 111 111 HIS H H 111 8.460 8.963 -0.503 1
1 1306 . 18 1 1 A 111 111 HIS HA H 111 4.630 5.287 -0.657 1
1 1309 . 18 1 1 A 111 111 HIS CA C 111 54.900 53.562 1.338 1
1 1310 . 18 1 1 A 111 111 HIS CB C 111 28.700 31.126 -2.426 1
1 1311 . 18 1 1 A 111 111 HIS N N 111 118.900 123.383 -4.483 1
1 1312 . 18 1 1 A 112 112 HIS H H 112 8.540 9.112 -0.572 1
1 1313 . 18 1 1 A 112 112 HIS HA H 112 4.640 5.118 -0.478 1
1 1316 . 18 1 1 A 112 112 HIS CA C 112 55.100 54.476 0.624 1
1 1317 . 18 1 1 A 112 112 HIS CB C 112 28.900 32.150 -3.250 1
1 1318 . 18 1 1 A 112 112 HIS N N 112 119.100 128.057 -8.957 1
1 1319 . 18 1 1 A 113 113 HIS H H 113 8.630 8.635 -0.005 1
1 1320 . 18 1 1 A 113 113 HIS HA H 113 4.670 5.120 -0.450 1
1 1323 . 18 1 1 A 113 113 HIS CA C 113 55.200 54.428 0.772 1
1 1324 . 18 1 1 A 113 113 HIS CB C 113 28.900 32.895 -3.995 1
1 1325 . 18 1 1 A 113 113 HIS N N 113 119.400 127.803 -8.403 1
1 1326 . 18 1 1 A 114 114 HIS H H 114 8.670 7.849 0.821 1
1 1327 . 18 1 1 A 114 114 HIS HA H 114 4.670 4.283 0.387 1
1 1330 . 18 1 1 A 114 114 HIS CA C 114 55.200 56.853 -1.653 1
1 1331 . 18 1 1 A 114 114 HIS CB C 114 29.100 29.405 -0.305 1
1 1332 . 18 1 1 A 114 114 HIS N N 114 120.400 123.382 -2.982 1
1 1333 . 18 1 1 A 115 115 HIS H H 115 8.560 8.671 -0.111 1
1 1334 . 18 1 1 A 115 115 HIS HA H 115 4.660 4.164 0.496 1
1 1337 . 18 1 1 A 115 115 HIS CA C 115 55.300 58.091 -2.791 1
1 1338 . 18 1 1 A 115 115 HIS CB C 115 29.300 29.286 0.014 1
1 1339 . 18 1 1 A 115 115 HIS N N 115 120.600 125.065 -4.465 1
1 5 . 19 1 1 A 2 2 ALA H H 2 8.190 8.253 -0.063 1
1 6 . 19 1 1 A 2 2 ALA HA H 2 4.510 4.395 0.115 1
1 10 . 19 1 1 A 2 2 ALA CA C 2 51.900 52.218 -0.318 1
1 11 . 19 1 1 A 2 2 ALA CB C 2 19.500 18.988 0.512 1
1 12 . 19 1 1 A 2 2 ALA N N 2 124.100 123.587 0.513 1
1 13 . 19 1 1 A 3 3 GLU H H 3 8.740 8.942 -0.202 1
1 14 . 19 1 1 A 3 3 GLU HA H 3 4.380 3.954 0.426 1
1 19 . 19 1 1 A 3 3 GLU CA C 3 56.000 59.112 -3.112 1
1 20 . 19 1 1 A 3 3 GLU CB C 3 29.900 28.286 1.614 1
1 22 . 19 1 1 A 3 3 GLU N N 3 120.700 119.862 0.838 1
1 23 . 19 1 1 A 4 4 LYS H H 4 8.580 8.198 0.382 1
1 24 . 19 1 1 A 4 4 LYS HA H 4 4.280 4.576 -0.296 1
1 33 . 19 1 1 A 4 4 LYS CA C 4 56.600 57.131 -0.531 1
1 34 . 19 1 1 A 4 4 LYS CB C 4 32.600 34.352 -1.752 1
1 38 . 19 1 1 A 4 4 LYS N N 4 122.500 115.407 7.093 1
1 39 . 19 1 1 A 5 5 ASN H H 5 8.560 8.315 0.245 1
1 40 . 19 1 1 A 5 5 ASN HA H 5 4.700 5.216 -0.516 1
1 45 . 19 1 1 A 5 5 ASN CA C 5 53.200 51.864 1.336 1
1 46 . 19 1 1 A 5 5 ASN CB C 5 38.900 40.471 -1.571 1
1 47 . 19 1 1 A 5 5 ASN N N 5 119.500 114.934 4.566 1
1 49 . 19 1 1 A 6 6 ALA H H 6 8.210 8.330 -0.120 1
1 50 . 19 1 1 A 6 6 ALA HA H 6 4.520 3.777 0.743 1
1 54 . 19 1 1 A 6 6 ALA CA C 6 51.800 53.144 -1.344 1
1 55 . 19 1 1 A 6 6 ALA CB C 6 19.600 17.780 1.820 1
1 56 . 19 1 1 A 6 6 ALA N N 6 124.100 119.528 4.572 1
1 57 . 19 1 1 A 7 7 TYR H H 7 8.740 7.213 1.527 1
1 58 . 19 1 1 A 7 7 TYR HA H 7 4.700 4.625 0.075 1
1 65 . 19 1 1 A 7 7 TYR CA C 7 58.900 57.142 1.758 1
1 66 . 19 1 1 A 7 7 TYR CB C 7 40.300 39.755 0.545 1
1 69 . 19 1 1 A 7 7 TYR N N 7 121.400 115.195 6.205 1
1 70 . 19 1 1 A 8 8 THR H H 8 8.170 9.003 -0.833 1
1 71 . 19 1 1 A 8 8 THR HA H 8 5.220 4.741 0.479 1
1 76 . 19 1 1 A 8 8 THR CA C 8 59.800 60.642 -0.842 1
1 77 . 19 1 1 A 8 8 THR CB C 8 71.600 71.309 0.291 1
1 79 . 19 1 1 A 8 8 THR N N 8 113.700 113.436 0.264 1
1 80 . 19 1 1 A 9 9 VAL H H 9 8.990 9.248 -0.258 1
1 81 . 19 1 1 A 9 9 VAL HA H 9 3.370 3.910 -0.540 1
1 89 . 19 1 1 A 9 9 VAL CA C 9 66.700 64.928 1.772 1
1 90 . 19 1 1 A 9 9 VAL CB C 9 30.200 31.554 -1.354 1
1 93 . 19 1 1 A 9 9 VAL N N 9 121.400 119.812 1.588 1
1 94 . 19 1 1 A 10 10 ALA H H 10 9.340 7.928 1.412 1
1 95 . 19 1 1 A 10 10 ALA HA H 10 3.720 3.969 -0.249 1
1 99 . 19 1 1 A 10 10 ALA CA C 10 55.800 55.900 -0.100 1
1 100 . 19 1 1 A 10 10 ALA CB C 10 18.200 18.568 -0.368 1
1 101 . 19 1 1 A 10 10 ALA N N 10 122.000 124.200 -2.200 1
1 102 . 19 1 1 A 11 11 GLN H H 11 7.330 7.625 -0.295 1
1 103 . 19 1 1 A 11 11 GLN HA H 11 4.050 4.175 -0.125 1
1 110 . 19 1 1 A 11 11 GLN CA C 11 58.400 58.561 -0.161 1
1 111 . 19 1 1 A 11 11 GLN CB C 11 28.700 28.060 0.640 1
1 113 . 19 1 1 A 11 11 GLN N N 11 115.300 117.699 -2.399 1
1 115 . 19 1 1 A 12 12 LEU H H 12 8.510 8.412 0.098 1
1 116 . 19 1 1 A 12 12 LEU HA H 12 4.200 4.254 -0.054 1
1 126 . 19 1 1 A 12 12 LEU CA C 12 57.600 57.943 -0.343 1
1 127 . 19 1 1 A 12 12 LEU CB C 12 41.700 41.442 0.258 1
1 131 . 19 1 1 A 12 12 LEU N N 12 121.500 122.922 -1.422 1
1 132 . 19 1 1 A 13 13 ALA H H 13 9.160 8.570 0.590 1
1 133 . 19 1 1 A 13 13 ALA HA H 13 3.990 4.002 -0.012 1
1 137 . 19 1 1 A 13 13 ALA CA C 13 55.400 55.306 0.094 1
1 138 . 19 1 1 A 13 13 ALA CB C 13 17.700 17.777 -0.077 1
1 139 . 19 1 1 A 13 13 ALA N N 13 121.000 120.300 0.700 1
1 140 . 19 1 1 A 14 14 ASP H H 14 7.920 7.769 0.151 1
1 141 . 19 1 1 A 14 14 ASP HA H 14 4.480 4.326 0.154 1
1 144 . 19 1 1 A 14 14 ASP CA C 14 57.200 57.376 -0.176 1
1 145 . 19 1 1 A 14 14 ASP CB C 14 39.500 41.023 -1.523 1
1 146 . 19 1 1 A 14 14 ASP N N 14 117.400 118.631 -1.231 1
1 147 . 19 1 1 A 15 15 GLU H H 15 8.210 8.414 -0.204 1
1 148 . 19 1 1 A 15 15 GLU HA H 15 4.110 3.919 0.191 1
1 153 . 19 1 1 A 15 15 GLU CA C 15 59.800 59.425 0.375 1
1 154 . 19 1 1 A 15 15 GLU CB C 15 30.100 29.436 0.664 1
1 156 . 19 1 1 A 15 15 GLU N N 15 122.500 119.000 3.500 1
1 157 . 19 1 1 A 16 16 TYR H H 16 9.230 8.089 1.141 1
1 158 . 19 1 1 A 16 16 TYR HA H 16 3.180 4.062 -0.882 1
1 165 . 19 1 1 A 16 16 TYR CA C 16 61.100 61.353 -0.253 1
1 166 . 19 1 1 A 16 16 TYR CB C 16 38.300 38.270 0.030 1
1 169 . 19 1 1 A 16 16 TYR N N 16 119.400 120.589 -1.189 1
1 170 . 19 1 1 A 17 17 PHE H H 17 8.700 8.314 0.386 1
1 171 . 19 1 1 A 17 17 PHE HA H 17 3.480 4.154 -0.674 1
1 178 . 19 1 1 A 17 17 PHE CA C 17 61.600 61.490 0.110 1
1 179 . 19 1 1 A 17 17 PHE CB C 17 39.300 38.963 0.337 1
1 182 . 19 1 1 A 17 17 PHE N N 17 118.400 121.114 -2.714 1
1 183 . 19 1 1 A 18 18 GLU H H 18 8.280 8.366 -0.086 1
1 184 . 19 1 1 A 18 18 GLU HA H 18 3.840 3.561 0.279 1
1 189 . 19 1 1 A 18 18 GLU CA C 18 58.800 59.923 -1.123 1
1 190 . 19 1 1 A 18 18 GLU CB C 18 29.000 29.248 -0.248 1
1 192 . 19 1 1 A 18 18 GLU N N 18 118.500 118.016 0.484 1
1 193 . 19 1 1 A 19 19 ARG H H 19 8.350 7.290 1.060 1
1 194 . 19 1 1 A 19 19 ARG HA H 19 4.200 4.061 0.139 1
1 202 . 19 1 1 A 19 19 ARG CA C 19 57.300 58.534 -1.234 1
1 203 . 19 1 1 A 19 19 ARG CB C 19 30.900 29.864 1.036 1
1 206 . 19 1 1 A 19 19 ARG N N 19 114.300 118.663 -4.363 1
1 208 . 19 1 1 A 20 20 MET H H 20 7.960 7.336 0.624 1
1 209 . 19 1 1 A 20 20 MET HA H 20 4.610 4.336 0.274 1
1 217 . 19 1 1 A 20 20 MET CA C 20 54.100 56.480 -2.380 1
1 218 . 19 1 1 A 20 20 MET CB C 20 31.800 33.373 -1.573 1
1 221 . 19 1 1 A 20 20 MET N N 20 112.400 116.274 -3.874 1
1 222 . 19 1 1 A 21 21 ILE H H 21 6.970 7.716 -0.746 1
1 223 . 19 1 1 A 21 21 ILE HA H 21 4.050 3.994 0.056 1
1 233 . 19 1 1 A 21 21 ILE CA C 21 59.800 60.056 -0.256 1
1 234 . 19 1 1 A 21 21 ILE CB C 21 35.900 37.521 -1.621 1
1 238 . 19 1 1 A 21 21 ILE N N 21 117.900 118.822 -0.922 1
1 239 . 19 1 1 A 22 22 ALA H H 22 7.700 8.026 -0.326 1
1 240 . 19 1 1 A 22 22 ALA HA H 22 3.600 4.288 -0.688 1
1 244 . 19 1 1 A 22 22 ALA CA C 22 53.900 52.275 1.625 1
1 245 . 19 1 1 A 22 22 ALA CB C 22 18.000 21.647 -3.647 1
1 246 . 19 1 1 A 22 22 ALA N N 22 123.500 126.746 -3.246 1
1 247 . 19 1 1 A 23 23 GLY H H 23 8.460 7.963 0.497 1
1 248 . 19 1 1 A 23 23 GLY HA2 H 23 3.960 3.870 0.090 1
1 249 . 19 1 1 A 23 23 GLY HA3 H 23 3.820 3.911 -0.091 1
1 250 . 19 1 1 A 23 23 GLY CA C 23 45.600 46.936 -1.336 1
1 251 . 19 1 1 A 23 23 GLY N N 23 109.600 107.088 2.512 1
1 252 . 19 1 1 A 24 24 ARG H H 24 7.830 8.108 -0.278 1
1 253 . 19 1 1 A 24 24 ARG HA H 24 4.440 4.705 -0.265 1
1 261 . 19 1 1 A 24 24 ARG CA C 24 56.700 55.067 1.633 1
1 262 . 19 1 1 A 24 24 ARG CB C 24 32.400 31.894 0.506 1
1 265 . 19 1 1 A 24 24 ARG N N 24 118.400 120.477 -2.077 1
1 267 . 19 1 1 A 25 25 TRP H H 25 8.240 8.699 -0.459 1
1 268 . 19 1 1 A 25 25 TRP HA H 25 4.640 4.850 -0.210 1
1 277 . 19 1 1 A 25 25 TRP CA C 25 56.900 56.962 -0.062 1
1 278 . 19 1 1 A 25 25 TRP CB C 25 31.400 31.095 0.305 1
1 284 . 19 1 1 A 25 25 TRP N N 25 121.500 124.281 -2.781 1
1 286 . 19 1 1 A 26 26 LYS H H 26 7.890 6.887 1.003 1
1 287 . 19 1 1 A 26 26 LYS HA H 26 3.910 3.575 0.335 1
1 296 . 19 1 1 A 26 26 LYS CA C 26 56.800 56.822 -0.022 1
1 297 . 19 1 1 A 26 26 LYS CB C 26 32.200 31.888 0.312 1
1 301 . 19 1 1 A 26 26 LYS N N 26 122.500 119.542 2.958 1
1 302 . 19 1 1 A 27 27 HIS H H 27 7.840 8.067 -0.227 1
1 303 . 19 1 1 A 27 27 HIS HA H 27 5.230 4.187 1.043 1
1 307 . 19 1 1 A 27 27 HIS CA C 27 53.200 56.344 -3.144 1
1 308 . 19 1 1 A 27 27 HIS CB C 27 28.200 27.766 0.434 1
1 310 . 19 1 1 A 27 27 HIS N N 27 112.700 120.465 -7.765 1
1 311 . 19 1 1 A 28 28 PRO HA H 28 4.120 4.753 -0.633 1
1 318 . 19 1 1 A 28 28 PRO CA C 28 65.400 65.765 -0.365 1
1 319 . 19 1 1 A 28 28 PRO CB C 28 32.200 32.511 -0.311 1
1 322 . 19 1 1 A 29 29 ASN H H 29 8.840 8.975 -0.135 1
1 323 . 19 1 1 A 29 29 ASN HA H 29 4.470 4.536 -0.066 1
1 328 . 19 1 1 A 29 29 ASN CA C 29 56.100 55.449 0.651 1
1 329 . 19 1 1 A 29 29 ASN CB C 29 37.000 37.217 -0.217 1
1 330 . 19 1 1 A 29 29 ASN N N 29 116.300 114.849 1.451 1
1 332 . 19 1 1 A 30 30 ILE H H 30 7.630 7.932 -0.302 1
1 333 . 19 1 1 A 30 30 ILE HA H 30 3.910 3.688 0.222 1
1 343 . 19 1 1 A 30 30 ILE CA C 30 63.700 65.330 -1.630 1
1 344 . 19 1 1 A 30 30 ILE CB C 30 37.300 38.264 -0.964 1
1 348 . 19 1 1 A 30 30 ILE N N 30 121.500 121.388 0.112 1
1 349 . 19 1 1 A 31 31 VAL H H 31 6.920 8.326 -1.406 1
1 350 . 19 1 1 A 31 31 VAL HA H 31 3.020 3.803 -0.783 1
1 358 . 19 1 1 A 31 31 VAL CA C 31 65.500 64.935 0.565 1
1 359 . 19 1 1 A 31 31 VAL CB C 31 30.900 31.582 -0.682 1
1 362 . 19 1 1 A 31 31 VAL N N 31 119.900 121.746 -1.846 1
1 363 . 19 1 1 A 32 32 ARG H H 32 8.080 8.370 -0.290 1
1 364 . 19 1 1 A 32 32 ARG HA H 32 3.380 3.959 -0.579 1
1 371 . 19 1 1 A 32 32 ARG CA C 32 58.900 59.825 -0.925 1
1 372 . 19 1 1 A 32 32 ARG CB C 32 28.800 29.771 -0.971 1
1 375 . 19 1 1 A 32 32 ARG N N 32 118.900 121.839 -2.939 1
1 376 . 19 1 1 A 33 33 SER H H 33 7.840 7.981 -0.141 1
1 377 . 19 1 1 A 33 33 SER HA H 33 4.130 4.050 0.080 1
1 380 . 19 1 1 A 33 33 SER CA C 33 61.900 62.148 -0.248 1
1 381 . 19 1 1 A 33 33 SER CB C 33 62.700 62.773 -0.073 1
1 382 . 19 1 1 A 33 33 SER N N 33 113.400 117.311 -3.911 1
1 383 . 19 1 1 A 34 34 ARG H H 34 7.610 7.547 0.063 1
1 384 . 19 1 1 A 34 34 ARG HA H 34 4.370 4.642 -0.272 1
1 392 . 19 1 1 A 34 34 ARG CA C 34 58.100 58.977 -0.877 1
1 393 . 19 1 1 A 34 34 ARG CB C 34 29.600 29.960 -0.360 1
1 396 . 19 1 1 A 34 34 ARG N N 34 119.900 121.679 -1.779 1
1 398 . 19 1 1 A 35 35 ILE H H 35 8.070 7.610 0.460 1
1 399 . 19 1 1 A 35 35 ILE HA H 35 3.470 3.836 -0.366 1
1 409 . 19 1 1 A 35 35 ILE CA C 35 65.800 65.242 0.558 1
1 410 . 19 1 1 A 35 35 ILE CB C 35 38.200 37.229 0.971 1
1 414 . 19 1 1 A 35 35 ILE N N 35 118.600 121.087 -2.487 1
1 415 . 19 1 1 A 36 36 GLU H H 36 8.710 8.148 0.562 1
1 416 . 19 1 1 A 36 36 GLU HA H 36 3.880 4.180 -0.300 1
1 421 . 19 1 1 A 36 36 GLU CA C 36 58.400 58.060 0.340 1
1 422 . 19 1 1 A 36 36 GLU CB C 36 30.000 30.040 -0.040 1
1 424 . 19 1 1 A 36 36 GLU N N 36 116.800 119.159 -2.359 1
1 425 . 19 1 1 A 37 37 LYS H H 37 8.550 7.768 0.782 1
1 426 . 19 1 1 A 37 37 LYS HA H 37 4.300 4.325 -0.025 1
1 435 . 19 1 1 A 37 37 LYS CA C 37 57.300 57.934 -0.634 1
1 436 . 19 1 1 A 37 37 LYS CB C 37 33.000 33.579 -0.579 1
1 440 . 19 1 1 A 37 37 LYS N N 37 114.300 121.010 -6.710 1
1 441 . 19 1 1 A 38 38 ASP H H 38 7.480 8.247 -0.767 1
1 442 . 19 1 1 A 38 38 ASP HA H 38 4.970 4.483 0.487 1
1 445 . 19 1 1 A 38 38 ASP CA C 38 55.300 56.820 -1.520 1
1 446 . 19 1 1 A 38 38 ASP CB C 38 42.700 40.858 1.842 1
1 447 . 19 1 1 A 38 38 ASP N N 38 113.900 119.431 -5.531 1
1 448 . 19 1 1 A 39 39 ILE H H 39 7.540 7.679 -0.139 1
1 449 . 19 1 1 A 39 39 ILE HA H 39 3.940 4.065 -0.125 1
1 459 . 19 1 1 A 39 39 ILE CA C 39 64.700 62.736 1.964 1
1 460 . 19 1 1 A 39 39 ILE CB C 39 39.000 38.344 0.656 1
1 464 . 19 1 1 A 39 39 ILE N N 39 116.800 118.476 -1.676 1
1 465 . 19 1 1 A 40 40 LYS H H 40 8.840 7.627 1.213 1
1 466 . 19 1 1 A 40 40 LYS HA H 40 3.650 4.713 -1.063 1
1 475 . 19 1 1 A 40 40 LYS CA C 40 50.600 53.943 -3.343 1
1 476 . 19 1 1 A 40 40 LYS CB C 40 30.400 33.067 -2.667 1
1 480 . 19 1 1 A 40 40 LYS N N 40 118.400 121.281 -2.881 1
1 481 . 19 1 1 A 41 41 PRO HA H 41 4.280 4.440 -0.160 1
1 488 . 19 1 1 A 41 41 PRO CA C 41 65.700 64.743 0.957 1
1 489 . 19 1 1 A 41 41 PRO CB C 41 30.700 31.989 -1.289 1
1 492 . 19 1 1 A 42 42 ALA H H 42 6.660 7.710 -1.050 1
1 493 . 19 1 1 A 42 42 ALA HA H 42 4.430 4.447 -0.017 1
1 497 . 19 1 1 A 42 42 ALA CA C 42 53.800 52.828 0.972 1
1 498 . 19 1 1 A 42 42 ALA CB C 42 20.800 21.318 -0.518 1
1 499 . 19 1 1 A 42 42 ALA N N 42 115.300 117.870 -2.570 1
1 500 . 19 1 1 A 43 43 ILE H H 43 7.540 8.243 -0.703 1
1 501 . 19 1 1 A 43 43 ILE HA H 43 4.810 3.772 1.038 1
1 511 . 19 1 1 A 43 43 ILE CA C 43 60.600 63.678 -3.078 1
1 512 . 19 1 1 A 43 43 ILE CB C 43 41.200 37.508 3.692 1
1 516 . 19 1 1 A 43 43 ILE N N 43 105.000 116.953 -11.953 1
1 517 . 19 1 1 A 44 44 GLY H H 44 8.500 7.923 0.577 1
1 518 . 19 1 1 A 44 44 GLY HA2 H 44 4.170 3.853 0.317 1
1 519 . 19 1 1 A 44 44 GLY HA3 H 44 3.430 3.858 -0.428 1
1 520 . 19 1 1 A 44 44 GLY CA C 44 47.300 47.307 -0.007 1
1 521 . 19 1 1 A 44 44 GLY N N 44 109.600 111.803 -2.203 1
1 522 . 19 1 1 A 45 45 SER H H 45 8.120 8.559 -0.439 1
1 523 . 19 1 1 A 45 45 SER HA H 45 4.440 4.604 -0.164 1
1 526 . 19 1 1 A 45 45 SER CA C 45 58.600 57.643 0.957 1
1 527 . 19 1 1 A 45 45 SER CB C 45 63.400 61.691 1.709 1
1 528 . 19 1 1 A 45 45 SER N N 45 110.400 121.302 -10.902 1
1 529 . 19 1 1 A 46 46 LEU H H 46 7.480 8.392 -0.912 1
1 530 . 19 1 1 A 46 46 LEU HA H 46 4.180 5.046 -0.866 1
1 540 . 19 1 1 A 46 46 LEU CA C 46 54.800 53.483 1.317 1
1 541 . 19 1 1 A 46 46 LEU CB C 46 41.700 46.268 -4.568 1
1 545 . 19 1 1 A 46 46 LEU N N 46 122.600 127.357 -4.757 1
1 546 . 19 1 1 A 47 47 LYS H H 47 8.790 8.492 0.298 1
1 547 . 19 1 1 A 47 47 LYS HA H 47 4.460 4.287 0.173 1
1 556 . 19 1 1 A 47 47 LYS CA C 47 56.700 56.926 -0.226 1
1 557 . 19 1 1 A 47 47 LYS CB C 47 31.100 32.845 -1.745 1
1 561 . 19 1 1 A 47 47 LYS N N 47 120.800 124.673 -3.873 1
1 562 . 19 1 1 A 48 48 VAL H H 48 8.600 8.731 -0.131 1
1 563 . 19 1 1 A 48 48 VAL HA H 48 3.470 3.755 -0.285 1
1 571 . 19 1 1 A 48 48 VAL CA C 48 66.900 66.294 0.606 1
1 572 . 19 1 1 A 48 48 VAL CB C 48 31.000 31.490 -0.490 1
1 575 . 19 1 1 A 48 48 VAL N N 48 123.000 121.597 1.403 1
1 576 . 19 1 1 A 49 49 GLU H H 49 9.360 8.073 1.287 1
1 577 . 19 1 1 A 49 49 GLU HA H 49 4.180 4.086 0.094 1
1 582 . 19 1 1 A 49 49 GLU CA C 49 57.600 58.869 -1.269 1
1 583 . 19 1 1 A 49 49 GLU CB C 49 28.500 29.263 -0.763 1
1 585 . 19 1 1 A 49 49 GLU N N 49 115.300 120.865 -5.565 1
1 586 . 19 1 1 A 50 50 ASP H H 50 7.840 7.732 0.108 1
1 587 . 19 1 1 A 50 50 ASP HA H 50 4.840 4.648 0.192 1
1 590 . 19 1 1 A 50 50 ASP CA C 50 53.800 54.353 -0.553 1
1 591 . 19 1 1 A 50 50 ASP CB C 50 41.400 41.236 0.164 1
1 592 . 19 1 1 A 50 50 ASP N N 50 118.900 118.679 0.221 1
1 593 . 19 1 1 A 51 51 VAL H H 51 7.150 7.420 -0.270 1
1 594 . 19 1 1 A 51 51 VAL HA H 51 3.950 4.375 -0.425 1
1 602 . 19 1 1 A 51 51 VAL CA C 51 63.700 62.090 1.610 1
1 603 . 19 1 1 A 51 51 VAL CB C 51 30.900 31.287 -0.387 1
1 606 . 19 1 1 A 51 51 VAL N N 51 119.900 119.299 0.601 1
1 607 . 19 1 1 A 52 52 LYS H H 52 11.840 8.434 3.406 1
1 608 . 19 1 1 A 52 52 LYS HA H 52 4.980 4.212 0.768 1
1 617 . 19 1 1 A 52 52 LYS CA C 52 52.800 54.661 -1.861 1
1 618 . 19 1 1 A 52 52 LYS CB C 52 33.100 31.697 1.403 1
1 622 . 19 1 1 A 52 52 LYS N N 52 133.900 129.925 3.975 1
1 623 . 19 1 1 A 53 53 PRO HA H 53 4.370 4.151 0.219 1
1 630 . 19 1 1 A 53 53 PRO CA C 53 66.600 65.410 1.190 1
1 631 . 19 1 1 A 53 53 PRO CB C 53 31.600 32.008 -0.408 1
1 634 . 19 1 1 A 54 54 ARG H H 54 8.180 8.813 -0.633 1
1 635 . 19 1 1 A 54 54 ARG HA H 54 4.200 4.030 0.170 1
1 643 . 19 1 1 A 54 54 ARG CA C 54 58.300 58.267 0.033 1
1 644 . 19 1 1 A 54 54 ARG CB C 54 28.700 29.322 -0.622 1
1 647 . 19 1 1 A 54 54 ARG N N 54 113.800 116.589 -2.789 1
1 649 . 19 1 1 A 55 55 HIS H H 55 7.650 7.763 -0.113 1
1 650 . 19 1 1 A 55 55 HIS HA H 55 4.430 4.376 0.054 1
1 655 . 19 1 1 A 55 55 HIS CA C 55 60.500 59.786 0.714 1
1 656 . 19 1 1 A 55 55 HIS CB C 55 31.400 30.671 0.729 1
1 659 . 19 1 1 A 55 55 HIS N N 55 118.400 117.499 0.901 1
1 660 . 19 1 1 A 56 56 ILE H H 56 7.280 7.981 -0.701 1
1 661 . 19 1 1 A 56 56 ILE HA H 56 3.480 3.481 -0.001 1
1 671 . 19 1 1 A 56 56 ILE CA C 56 61.900 64.663 -2.763 1
1 672 . 19 1 1 A 56 56 ILE CB C 56 33.900 37.369 -3.469 1
1 676 . 19 1 1 A 56 56 ILE N N 56 117.400 119.875 -2.475 1
1 677 . 19 1 1 A 57 57 ASP H H 57 8.010 8.069 -0.059 1
1 678 . 19 1 1 A 57 57 ASP HA H 57 4.220 3.608 0.612 1
1 681 . 19 1 1 A 57 57 ASP CA C 57 57.200 57.685 -0.485 1
1 682 . 19 1 1 A 57 57 ASP CB C 57 40.900 41.772 -0.872 1
1 683 . 19 1 1 A 57 57 ASP N N 57 119.400 120.642 -1.242 1
1 684 . 19 1 1 A 58 58 ASP H H 58 8.000 8.151 -0.151 1
1 685 . 19 1 1 A 58 58 ASP HA H 58 4.380 4.363 0.017 1
1 688 . 19 1 1 A 58 58 ASP CA C 58 57.600 57.865 -0.265 1
1 689 . 19 1 1 A 58 58 ASP CB C 58 39.200 41.772 -2.572 1
1 690 . 19 1 1 A 58 58 ASP N N 58 117.400 120.431 -3.031 1
1 691 . 19 1 1 A 59 59 VAL H H 59 7.800 7.857 -0.057 1
1 692 . 19 1 1 A 59 59 VAL HA H 59 3.620 3.803 -0.183 1
1 700 . 19 1 1 A 59 59 VAL CA C 59 66.200 65.389 0.811 1
1 701 . 19 1 1 A 59 59 VAL CB C 59 31.400 31.359 0.041 1
1 704 . 19 1 1 A 59 59 VAL N N 59 121.200 118.429 2.771 1
1 705 . 19 1 1 A 60 60 LEU H H 60 8.030 8.128 -0.098 1
1 706 . 19 1 1 A 60 60 LEU HA H 60 3.870 3.933 -0.063 1
1 716 . 19 1 1 A 60 60 LEU CA C 60 58.000 58.098 -0.098 1
1 717 . 19 1 1 A 60 60 LEU CB C 60 40.300 41.311 -1.011 1
1 721 . 19 1 1 A 60 60 LEU N N 60 118.900 121.054 -2.154 1
1 722 . 19 1 1 A 61 61 LYS H H 61 8.710 8.369 0.341 1
1 723 . 19 1 1 A 61 61 LYS HA H 61 3.920 4.061 -0.141 1
1 732 . 19 1 1 A 61 61 LYS CA C 61 59.600 58.967 0.633 1
1 733 . 19 1 1 A 61 61 LYS CB C 61 32.500 31.950 0.550 1
1 737 . 19 1 1 A 61 61 LYS N N 61 118.300 118.224 0.076 1
1 738 . 19 1 1 A 62 62 ALA H H 62 7.590 7.570 0.020 1
1 739 . 19 1 1 A 62 62 ALA HA H 62 4.170 4.087 0.083 1
1 743 . 19 1 1 A 62 62 ALA CA C 62 55.100 55.004 0.096 1
1 744 . 19 1 1 A 62 62 ALA CB C 62 17.900 18.152 -0.252 1
1 745 . 19 1 1 A 62 62 ALA N N 62 121.000 121.588 -0.588 1
1 746 . 19 1 1 A 63 63 VAL H H 63 8.090 8.030 0.060 1
1 747 . 19 1 1 A 63 63 VAL HA H 63 3.710 3.885 -0.175 1
1 755 . 19 1 1 A 63 63 VAL CA C 63 65.700 65.426 0.274 1
1 756 . 19 1 1 A 63 63 VAL CB C 63 31.700 31.255 0.445 1
1 759 . 19 1 1 A 63 63 VAL N N 63 118.000 117.118 0.882 1
1 760 . 19 1 1 A 64 64 MET H H 64 8.360 8.149 0.211 1
1 761 . 19 1 1 A 64 64 MET HA H 64 4.110 4.105 0.005 1
1 769 . 19 1 1 A 64 64 MET CA C 64 57.600 58.675 -1.075 1
1 770 . 19 1 1 A 64 64 MET CB C 64 31.700 32.467 -0.767 1
1 773 . 19 1 1 A 64 64 MET N N 64 119.400 120.653 -1.253 1
1 774 . 19 1 1 A 65 65 LYS H H 65 7.660 7.441 0.219 1
1 775 . 19 1 1 A 65 65 LYS HA H 65 4.170 4.037 0.133 1
1 784 . 19 1 1 A 65 65 LYS CA C 65 58.100 59.403 -1.303 1
1 785 . 19 1 1 A 65 65 LYS CB C 65 32.500 32.536 -0.036 1
1 789 . 19 1 1 A 65 65 LYS N N 65 118.900 120.286 -1.386 1
1 790 . 19 1 1 A 66 66 ARG H H 66 7.600 8.355 -0.755 1
1 791 . 19 1 1 A 66 66 ARG HA H 66 4.430 4.095 0.335 1
1 799 . 19 1 1 A 66 66 ARG CA C 66 56.600 57.987 -1.387 1
1 800 . 19 1 1 A 66 66 ARG CB C 66 30.400 29.526 0.874 1
1 803 . 19 1 1 A 66 66 ARG N N 66 115.800 118.502 -2.702 1
1 805 . 19 1 1 A 67 67 GLY H H 67 7.830 7.815 0.015 1
1 806 . 19 1 1 A 67 67 GLY HA2 H 67 4.010 4.013 -0.003 1
1 807 . 19 1 1 A 67 67 GLY HA3 H 67 3.980 4.014 -0.034 1
1 808 . 19 1 1 A 67 67 GLY CA C 67 45.700 46.200 -0.500 1
1 809 . 19 1 1 A 67 67 GLY N N 67 107.400 108.165 -0.765 1
1 810 . 19 1 1 A 68 68 ALA H H 68 7.730 7.771 -0.041 1
1 811 . 19 1 1 A 68 68 ALA HA H 68 4.980 4.501 0.479 1
1 815 . 19 1 1 A 68 68 ALA CA C 68 49.700 50.413 -0.713 1
1 816 . 19 1 1 A 68 68 ALA CB C 68 18.900 21.931 -3.031 1
1 817 . 19 1 1 A 68 68 ALA N N 68 122.500 118.940 3.560 1
1 818 . 19 1 1 A 69 69 PRO HA H 69 4.350 4.266 0.084 1
1 825 . 19 1 1 A 69 69 PRO CA C 69 65.400 64.843 0.557 1
1 826 . 19 1 1 A 69 69 PRO CB C 69 31.700 32.059 -0.359 1
1 829 . 19 1 1 A 70 70 SER H H 70 8.430 8.374 0.056 1
1 830 . 19 1 1 A 70 70 SER HA H 70 4.250 4.225 0.025 1
1 833 . 19 1 1 A 70 70 SER CA C 70 61.000 61.642 -0.642 1
1 834 . 19 1 1 A 70 70 SER CB C 70 61.500 62.867 -1.367 1
1 835 . 19 1 1 A 70 70 SER N N 70 112.200 114.126 -1.926 1
1 836 . 19 1 1 A 71 71 ILE H H 71 7.430 7.702 -0.272 1
1 837 . 19 1 1 A 71 71 ILE HA H 71 3.980 3.655 0.325 1
1 847 . 19 1 1 A 71 71 ILE CA C 71 63.100 65.410 -2.310 1
1 848 . 19 1 1 A 71 71 ILE CB C 71 36.700 38.038 -1.338 1
1 852 . 19 1 1 A 71 71 ILE N N 71 122.000 121.944 0.056 1
1 853 . 19 1 1 A 72 72 ALA H H 72 7.780 7.925 -0.145 1
1 854 . 19 1 1 A 72 72 ALA HA H 72 3.910 4.079 -0.169 1
1 858 . 19 1 1 A 72 72 ALA CA C 72 55.800 55.615 0.185 1
1 859 . 19 1 1 A 72 72 ALA CB C 72 17.900 18.017 -0.117 1
1 860 . 19 1 1 A 72 72 ALA N N 72 126.100 122.187 3.913 1
1 861 . 19 1 1 A 73 73 ASN H H 73 8.180 8.380 -0.200 1
1 862 . 19 1 1 A 73 73 ASN HA H 73 4.410 4.542 -0.132 1
1 867 . 19 1 1 A 73 73 ASN CA C 73 55.900 56.628 -0.728 1
1 868 . 19 1 1 A 73 73 ASN CB C 73 37.800 39.448 -1.648 1
1 869 . 19 1 1 A 73 73 ASN N N 73 116.700 116.870 -0.170 1
1 871 . 19 1 1 A 74 74 ASP H H 74 8.120 8.077 0.043 1
1 872 . 19 1 1 A 74 74 ASP HA H 74 4.410 4.434 -0.024 1
1 875 . 19 1 1 A 74 74 ASP CA C 74 57.500 57.379 0.121 1
1 876 . 19 1 1 A 74 74 ASP CB C 74 41.400 41.427 -0.027 1
1 877 . 19 1 1 A 74 74 ASP N N 74 120.800 119.704 1.096 1
1 878 . 19 1 1 A 75 75 THR H H 75 8.360 8.201 0.159 1
1 879 . 19 1 1 A 75 75 THR HA H 75 3.750 4.111 -0.361 1
1 884 . 19 1 1 A 75 75 THR CA C 75 68.800 66.630 2.170 1
1 885 . 19 1 1 A 75 75 THR CB C 75 67.700 68.298 -0.598 1
1 887 . 19 1 1 A 75 75 THR N N 75 116.300 116.231 0.069 1
1 888 . 19 1 1 A 76 76 LEU H H 76 8.160 8.410 -0.250 1
1 889 . 19 1 1 A 76 76 LEU HA H 76 3.980 4.021 -0.041 1
1 899 . 19 1 1 A 76 76 LEU CA C 76 58.000 58.337 -0.337 1
1 900 . 19 1 1 A 76 76 LEU CB C 76 40.500 41.761 -1.261 1
1 904 . 19 1 1 A 76 76 LEU N N 76 121.000 121.806 -0.806 1
1 905 . 19 1 1 A 77 77 ARG H H 77 7.810 8.581 -0.771 1
1 906 . 19 1 1 A 77 77 ARG HA H 77 3.790 4.161 -0.371 1
1 914 . 19 1 1 A 77 77 ARG CA C 77 60.000 58.736 1.264 1
1 915 . 19 1 1 A 77 77 ARG CB C 77 29.400 30.311 -0.911 1
1 918 . 19 1 1 A 77 77 ARG N N 77 118.400 117.304 1.096 1
1 920 . 19 1 1 A 78 78 TRP H H 78 7.870 8.395 -0.525 1
1 921 . 19 1 1 A 78 78 TRP HA H 78 4.490 4.329 0.161 1
1 930 . 19 1 1 A 78 78 TRP CA C 78 60.200 60.726 -0.526 1
1 931 . 19 1 1 A 78 78 TRP CB C 78 28.700 29.669 -0.969 1
1 937 . 19 1 1 A 78 78 TRP N N 78 118.300 122.454 -4.154 1
1 939 . 19 1 1 A 79 79 LEU H H 79 8.630 8.421 0.209 1
1 940 . 19 1 1 A 79 79 LEU HA H 79 3.940 3.764 0.176 1
1 950 . 19 1 1 A 79 79 LEU CA C 79 58.200 58.063 0.137 1
1 951 . 19 1 1 A 79 79 LEU CB C 79 42.300 41.656 0.644 1
1 955 . 19 1 1 A 79 79 LEU N N 79 120.200 120.122 0.078 1
1 956 . 19 1 1 A 80 80 LYS H H 80 8.710 7.878 0.832 1
1 957 . 19 1 1 A 80 80 LYS HA H 80 3.880 4.013 -0.133 1
1 966 . 19 1 1 A 80 80 LYS CA C 80 61.300 60.393 0.907 1
1 967 . 19 1 1 A 80 80 LYS CB C 80 32.300 32.406 -0.106 1
1 971 . 19 1 1 A 80 80 LYS N N 80 118.400 117.312 1.088 1
1 972 . 19 1 1 A 81 81 ARG H H 81 7.800 7.529 0.271 1
1 973 . 19 1 1 A 81 81 ARG HA H 81 4.030 3.890 0.140 1
1 981 . 19 1 1 A 81 81 ARG CA C 81 59.700 59.112 0.588 1
1 982 . 19 1 1 A 81 81 ARG CB C 81 30.400 29.876 0.524 1
1 985 . 19 1 1 A 81 81 ARG N N 81 117.400 119.538 -2.138 1
1 987 . 19 1 1 A 82 82 MET H H 82 8.530 7.671 0.859 1
1 988 . 19 1 1 A 82 82 MET HA H 82 3.000 2.258 0.742 1
1 996 . 19 1 1 A 82 82 MET CA C 82 58.900 58.039 0.861 1
1 997 . 19 1 1 A 82 82 MET CB C 82 32.300 31.302 0.998 1
1 1000 . 19 1 1 A 82 82 MET N N 82 121.400 118.323 3.077 1
1 1001 . 19 1 1 A 83 83 PHE H H 83 8.340 7.984 0.356 1
1 1002 . 19 1 1 A 83 83 PHE HA H 83 4.340 4.236 0.104 1
1 1010 . 19 1 1 A 83 83 PHE CA C 83 61.900 61.309 0.591 1
1 1011 . 19 1 1 A 83 83 PHE CB C 83 38.800 37.915 0.885 1
1 1015 . 19 1 1 A 83 83 PHE N N 83 116.900 117.775 -0.875 1
1 1016 . 19 1 1 A 84 84 ASN H H 84 8.170 8.429 -0.259 1
1 1017 . 19 1 1 A 84 84 ASN HA H 84 4.670 4.537 0.133 1
1 1022 . 19 1 1 A 84 84 ASN CA C 84 55.800 56.276 -0.476 1
1 1023 . 19 1 1 A 84 84 ASN CB C 84 37.500 39.240 -1.740 1
1 1024 . 19 1 1 A 84 84 ASN N N 84 120.500 118.888 1.612 1
1 1026 . 19 1 1 A 85 85 TYR H H 85 7.910 7.960 -0.050 1
1 1027 . 19 1 1 A 85 85 TYR HA H 85 4.320 4.243 0.077 1
1 1034 . 19 1 1 A 85 85 TYR CA C 85 61.100 62.035 -0.935 1
1 1035 . 19 1 1 A 85 85 TYR CB C 85 37.900 38.794 -0.894 1
1 1038 . 19 1 1 A 85 85 TYR N N 85 124.000 120.560 3.440 1
1 1039 . 19 1 1 A 86 86 ALA H H 86 7.780 8.378 -0.598 1
1 1040 . 19 1 1 A 86 86 ALA HA H 86 3.670 4.227 -0.557 1
1 1044 . 19 1 1 A 86 86 ALA CA C 86 54.800 55.116 -0.316 1
1 1045 . 19 1 1 A 86 86 ALA CB C 86 18.100 18.799 -0.699 1
1 1046 . 19 1 1 A 86 86 ALA N N 86 120.500 121.812 -1.312 1
1 1047 . 19 1 1 A 87 87 ILE H H 87 7.880 7.700 0.180 1
1 1048 . 19 1 1 A 87 87 ILE HA H 87 4.240 4.049 0.191 1
1 1058 . 19 1 1 A 87 87 ILE CA C 87 63.900 65.176 -1.276 1
1 1059 . 19 1 1 A 87 87 ILE CB C 87 37.900 37.816 0.084 1
1 1063 . 19 1 1 A 87 87 ILE N N 87 120.400 119.321 1.079 1
1 1064 . 19 1 1 A 88 88 LYS H H 88 7.880 9.016 -1.136 1
1 1065 . 19 1 1 A 88 88 LYS HA H 88 3.900 4.108 -0.208 1
1 1074 . 19 1 1 A 88 88 LYS CA C 88 58.900 58.384 0.516 1
1 1075 . 19 1 1 A 88 88 LYS CB C 88 31.300 31.322 -0.022 1
1 1079 . 19 1 1 A 88 88 LYS N N 88 124.300 120.864 3.436 1
1 1080 . 19 1 1 A 89 89 ARG H H 89 7.350 7.190 0.160 1
1 1081 . 19 1 1 A 89 89 ARG HA H 89 4.020 4.351 -0.331 1
1 1088 . 19 1 1 A 89 89 ARG CA C 89 54.600 56.611 -2.011 1
1 1089 . 19 1 1 A 89 89 ARG CB C 89 29.100 30.893 -1.793 1
1 1092 . 19 1 1 A 89 89 ARG N N 89 114.300 119.795 -5.495 1
1 1093 . 19 1 1 A 90 90 HIS H H 90 8.030 7.952 0.078 1
1 1094 . 19 1 1 A 90 90 HIS HA H 90 4.330 4.164 0.166 1
1 1098 . 19 1 1 A 90 90 HIS CA C 90 56.300 56.637 -0.337 1
1 1099 . 19 1 1 A 90 90 HIS CB C 90 25.200 29.104 -3.904 1
1 1101 . 19 1 1 A 90 90 HIS N N 90 113.200 117.598 -4.398 1
1 1102 . 19 1 1 A 91 91 ILE H H 91 8.370 8.040 0.330 1
1 1103 . 19 1 1 A 91 91 ILE HA H 91 3.830 3.735 0.095 1
1 1113 . 19 1 1 A 91 91 ILE CA C 91 63.600 64.148 -0.548 1
1 1114 . 19 1 1 A 91 91 ILE CB C 91 39.300 38.148 1.152 1
1 1118 . 19 1 1 A 91 91 ILE N N 91 118.400 117.274 1.126 1
1 1119 . 19 1 1 A 92 92 ILE H H 92 6.860 7.259 -0.399 1
1 1120 . 19 1 1 A 92 92 ILE HA H 92 4.570 4.753 -0.183 1
1 1130 . 19 1 1 A 92 92 ILE CA C 92 58.800 58.118 0.682 1
1 1131 . 19 1 1 A 92 92 ILE CB C 92 42.700 41.508 1.192 1
1 1135 . 19 1 1 A 92 92 ILE N N 92 108.600 116.911 -8.311 1
1 1136 . 19 1 1 A 93 93 GLU H H 93 8.690 8.512 0.178 1
1 1137 . 19 1 1 A 93 93 GLU HA H 93 4.470 4.486 -0.016 1
1 1142 . 19 1 1 A 93 93 GLU CA C 93 56.400 54.994 1.406 1
1 1143 . 19 1 1 A 93 93 GLU CB C 93 31.200 30.178 1.022 1
1 1145 . 19 1 1 A 93 93 GLU N N 93 116.800 123.352 -6.552 1
1 1146 . 19 1 1 A 94 94 TYR H H 94 7.420 7.522 -0.102 1
1 1147 . 19 1 1 A 94 94 TYR HA H 94 4.710 5.168 -0.458 1
1 1154 . 19 1 1 A 94 94 TYR CA C 94 55.800 56.505 -0.705 1
1 1155 . 19 1 1 A 94 94 TYR CB C 94 40.600 40.898 -0.298 1
1 1158 . 19 1 1 A 94 94 TYR N N 94 117.900 120.769 -2.869 1
1 1159 . 19 1 1 A 95 95 ASN H H 95 8.960 8.746 0.214 1
1 1160 . 19 1 1 A 95 95 ASN HA H 95 4.550 5.199 -0.649 1
1 1165 . 19 1 1 A 95 95 ASN CA C 95 49.700 49.547 0.153 1
1 1166 . 19 1 1 A 95 95 ASN CB C 95 39.200 39.492 -0.292 1
1 1167 . 19 1 1 A 95 95 ASN N N 95 122.500 123.755 -1.255 1
1 1169 . 19 1 1 A 96 96 PRO HA H 96 4.300 4.278 0.022 1
1 1176 . 19 1 1 A 96 96 PRO CA C 96 64.000 65.378 -1.378 1
1 1177 . 19 1 1 A 96 96 PRO CB C 96 31.100 31.620 -0.520 1
1 1180 . 19 1 1 A 97 97 ALA H H 97 8.090 8.142 -0.052 1
1 1181 . 19 1 1 A 97 97 ALA HA H 97 4.540 4.337 0.203 1
1 1185 . 19 1 1 A 97 97 ALA CA C 97 51.200 54.133 -2.933 1
1 1186 . 19 1 1 A 97 97 ALA CB C 97 18.900 18.716 0.184 1
1 1187 . 19 1 1 A 97 97 ALA N N 97 118.400 119.320 -0.920 1
1 1188 . 19 1 1 A 98 98 ALA H H 98 7.330 7.731 -0.401 1
1 1189 . 19 1 1 A 98 98 ALA HA H 98 3.990 4.225 -0.235 1
1 1193 . 19 1 1 A 98 98 ALA CA C 98 54.700 54.931 -0.231 1
1 1194 . 19 1 1 A 98 98 ALA CB C 98 18.900 18.459 0.441 1
1 1195 . 19 1 1 A 98 98 ALA N N 98 120.500 119.882 0.618 1
1 1196 . 19 1 1 A 99 99 ALA H H 99 8.020 7.921 0.099 1
1 1197 . 19 1 1 A 99 99 ALA HA H 99 4.180 4.198 -0.018 1
1 1201 . 19 1 1 A 99 99 ALA CA C 99 52.500 55.016 -2.516 1
1 1202 . 19 1 1 A 99 99 ALA CB C 99 18.200 18.852 -0.652 1
1 1203 . 19 1 1 A 99 99 ALA N N 99 117.400 118.990 -1.590 1
1 1204 . 19 1 1 A 100 100 PHE H H 100 7.320 7.559 -0.239 1
1 1205 . 19 1 1 A 100 100 PHE HA H 100 4.360 4.528 -0.168 1
1 1210 . 19 1 1 A 100 100 PHE CA C 100 57.700 57.094 0.606 1
1 1211 . 19 1 1 A 100 100 PHE CB C 100 40.500 39.174 1.326 1
1 1213 . 19 1 1 A 100 100 PHE N N 100 117.400 120.533 -3.133 1
1 1214 . 19 1 1 A 101 101 ASP H H 101 8.520 8.360 0.160 1
1 1215 . 19 1 1 A 101 101 ASP HA H 101 4.910 4.197 0.713 1
1 1218 . 19 1 1 A 101 101 ASP CA C 101 51.400 54.726 -3.326 1
1 1219 . 19 1 1 A 101 101 ASP CB C 101 41.400 39.154 2.246 1
1 1220 . 19 1 1 A 101 101 ASP N N 101 122.600 127.002 -4.402 1
1 1221 . 19 1 1 A 102 102 PRO HA H 102 4.350 4.436 -0.086 1
1 1228 . 19 1 1 A 102 102 PRO CA C 102 63.400 64.017 -0.617 1
1 1229 . 19 1 1 A 102 102 PRO CB C 102 31.900 32.042 -0.142 1
1 1232 . 19 1 1 A 103 103 GLY H H 103 8.440 8.258 0.182 1
1 1233 . 19 1 1 A 103 103 GLY HA2 H 103 3.890 3.857 0.033 1
1 1234 . 19 1 1 A 103 103 GLY HA3 H 103 3.860 3.872 -0.012 1
1 1235 . 19 1 1 A 103 103 GLY CA C 103 45.100 47.240 -2.140 1
1 1236 . 19 1 1 A 103 103 GLY N N 103 108.300 110.775 -2.475 1
1 1237 . 19 1 1 A 104 104 ASP H H 104 8.100 8.503 -0.403 1
1 1238 . 19 1 1 A 104 104 ASP HA H 104 4.620 5.125 -0.505 1
1 1241 . 19 1 1 A 104 104 ASP CA C 104 53.900 54.007 -0.107 1
1 1242 . 19 1 1 A 104 104 ASP CB C 104 40.700 43.376 -2.676 1
1 1243 . 19 1 1 A 104 104 ASP N N 104 120.100 124.689 -4.589 1
1 1244 . 19 1 1 A 105 105 ALA H H 105 8.360 8.664 -0.304 1
1 1245 . 19 1 1 A 105 105 ALA HA H 105 4.270 4.855 -0.585 1
1 1249 . 19 1 1 A 105 105 ALA CA C 105 52.900 50.691 2.209 1
1 1250 . 19 1 1 A 105 105 ALA CB C 105 18.800 21.023 -2.223 1
1 1251 . 19 1 1 A 105 105 ALA N N 105 124.600 128.478 -3.878 1
1 1252 . 19 1 1 A 106 106 GLY H H 106 8.470 8.787 -0.317 1
1 1253 . 19 1 1 A 106 106 GLY HA2 H 106 3.930 3.954 -0.024 1
1 1254 . 19 1 1 A 106 106 GLY HA3 H 106 3.910 3.955 -0.045 1
1 1255 . 19 1 1 A 106 106 GLY CA C 106 45.400 45.443 -0.043 1
1 1256 . 19 1 1 A 106 106 GLY N N 106 107.500 112.288 -4.788 1
1 1257 . 19 1 1 A 107 107 GLY H H 107 8.170 8.003 0.167 1
1 1258 . 19 1 1 A 107 107 GLY HA2 H 107 3.950 3.954 -0.004 1
1 1259 . 19 1 1 A 107 107 GLY HA3 H 107 3.940 3.955 -0.015 1
1 1260 . 19 1 1 A 107 107 GLY CA C 107 45.300 46.057 -0.757 1
1 1261 . 19 1 1 A 107 107 GLY N N 107 108.600 109.386 -0.786 1
1 1262 . 19 1 1 A 108 108 LYS H H 108 8.160 7.880 0.280 1
1 1263 . 19 1 1 A 108 108 LYS HA H 108 4.260 4.381 -0.121 1
1 1272 . 19 1 1 A 108 108 LYS CA C 108 56.500 56.367 0.133 1
1 1273 . 19 1 1 A 108 108 LYS CB C 108 32.800 32.671 0.129 1
1 1277 . 19 1 1 A 108 108 LYS N N 108 120.500 122.002 -1.502 1
1 1278 . 19 1 1 A 109 109 LEU H H 109 8.220 8.726 -0.506 1
1 1279 . 19 1 1 A 109 109 LEU HA H 109 4.260 4.878 -0.618 1
1 1289 . 19 1 1 A 109 109 LEU CA C 109 55.000 54.033 0.967 1
1 1290 . 19 1 1 A 109 109 LEU CB C 109 41.900 45.304 -3.404 1
1 1294 . 19 1 1 A 109 109 LEU N N 109 122.200 128.102 -5.902 1
1 1295 . 19 1 1 A 110 110 GLU H H 110 8.160 8.605 -0.445 1
1 1296 . 19 1 1 A 110 110 GLU HA H 110 4.190 4.063 0.127 1
1 1301 . 19 1 1 A 110 110 GLU CA C 110 56.000 57.330 -1.330 1
1 1302 . 19 1 1 A 110 110 GLU CB C 110 29.900 29.988 -0.088 1
1 1304 . 19 1 1 A 110 110 GLU N N 110 121.000 126.390 -5.390 1
1 1305 . 19 1 1 A 111 111 HIS H H 111 8.460 8.391 0.069 1
1 1306 . 19 1 1 A 111 111 HIS HA H 111 4.630 4.750 -0.120 1
1 1309 . 19 1 1 A 111 111 HIS CA C 111 54.900 55.968 -1.068 1
1 1310 . 19 1 1 A 111 111 HIS CB C 111 28.700 28.980 -0.280 1
1 1311 . 19 1 1 A 111 111 HIS N N 111 118.900 120.929 -2.029 1
1 1312 . 19 1 1 A 112 112 HIS H H 112 8.540 8.809 -0.269 1
1 1313 . 19 1 1 A 112 112 HIS HA H 112 4.640 4.829 -0.189 1
1 1316 . 19 1 1 A 112 112 HIS CA C 112 55.100 54.384 0.716 1
1 1317 . 19 1 1 A 112 112 HIS CB C 112 28.900 29.830 -0.930 1
1 1318 . 19 1 1 A 112 112 HIS N N 112 119.100 125.147 -6.047 1
1 1319 . 19 1 1 A 113 113 HIS H H 113 8.630 8.118 0.512 1
1 1320 . 19 1 1 A 113 113 HIS HA H 113 4.670 4.490 0.180 1
1 1323 . 19 1 1 A 113 113 HIS CA C 113 55.200 56.586 -1.386 1
1 1324 . 19 1 1 A 113 113 HIS CB C 113 28.900 29.910 -1.010 1
1 1325 . 19 1 1 A 113 113 HIS N N 113 119.400 119.026 0.374 1
1 1326 . 19 1 1 A 114 114 HIS H H 114 8.670 7.362 1.308 1
1 1327 . 19 1 1 A 114 114 HIS HA H 114 4.670 4.430 0.240 1
1 1330 . 19 1 1 A 114 114 HIS CA C 114 55.200 55.928 -0.728 1
1 1331 . 19 1 1 A 114 114 HIS CB C 114 29.100 33.191 -4.091 1
1 1332 . 19 1 1 A 114 114 HIS N N 114 120.400 118.086 2.314 1
1 1333 . 19 1 1 A 115 115 HIS H H 115 8.560 7.830 0.730 1
1 1334 . 19 1 1 A 115 115 HIS HA H 115 4.660 4.316 0.344 1
1 1337 . 19 1 1 A 115 115 HIS CA C 115 55.300 56.666 -1.366 1
1 1338 . 19 1 1 A 115 115 HIS CB C 115 29.300 28.463 0.837 1
1 1339 . 19 1 1 A 115 115 HIS N N 115 120.600 122.418 -1.818 1
1 5 . 20 1 1 A 2 2 ALA H H 2 8.190 8.100 0.090 1
1 6 . 20 1 1 A 2 2 ALA HA H 2 4.510 4.058 0.452 1
1 10 . 20 1 1 A 2 2 ALA CA C 2 51.900 52.706 -0.806 1
1 11 . 20 1 1 A 2 2 ALA CB C 2 19.500 17.421 2.079 1
1 12 . 20 1 1 A 2 2 ALA N N 2 124.100 121.046 3.054 1
1 13 . 20 1 1 A 3 3 GLU H H 3 8.740 8.256 0.484 1
1 14 . 20 1 1 A 3 3 GLU HA H 3 4.380 4.804 -0.424 1
1 19 . 20 1 1 A 3 3 GLU CA C 3 56.000 57.844 -1.844 1
1 20 . 20 1 1 A 3 3 GLU CB C 3 29.900 33.014 -3.114 1
1 22 . 20 1 1 A 3 3 GLU N N 3 120.700 124.715 -4.015 1
1 23 . 20 1 1 A 4 4 LYS H H 4 8.580 7.982 0.598 1
1 24 . 20 1 1 A 4 4 LYS HA H 4 4.280 4.348 -0.068 1
1 33 . 20 1 1 A 4 4 LYS CA C 4 56.600 58.615 -2.015 1
1 34 . 20 1 1 A 4 4 LYS CB C 4 32.600 32.998 -0.398 1
1 38 . 20 1 1 A 4 4 LYS N N 4 122.500 116.767 5.733 1
1 39 . 20 1 1 A 5 5 ASN H H 5 8.560 7.871 0.689 1
1 40 . 20 1 1 A 5 5 ASN HA H 5 4.700 5.062 -0.362 1
1 45 . 20 1 1 A 5 5 ASN CA C 5 53.200 53.447 -0.247 1
1 46 . 20 1 1 A 5 5 ASN CB C 5 38.900 39.525 -0.625 1
1 47 . 20 1 1 A 5 5 ASN N N 5 119.500 116.812 2.688 1
1 49 . 20 1 1 A 6 6 ALA H H 6 8.210 8.985 -0.775 1
1 50 . 20 1 1 A 6 6 ALA HA H 6 4.520 4.679 -0.159 1
1 54 . 20 1 1 A 6 6 ALA CA C 6 51.800 51.354 0.446 1
1 55 . 20 1 1 A 6 6 ALA CB C 6 19.600 20.027 -0.427 1
1 56 . 20 1 1 A 6 6 ALA N N 6 124.100 128.190 -4.090 1
1 57 . 20 1 1 A 7 7 TYR H H 7 8.740 7.936 0.804 1
1 58 . 20 1 1 A 7 7 TYR HA H 7 4.700 5.056 -0.356 1
1 65 . 20 1 1 A 7 7 TYR CA C 7 58.900 56.914 1.986 1
1 66 . 20 1 1 A 7 7 TYR CB C 7 40.300 38.156 2.144 1
1 69 . 20 1 1 A 7 7 TYR N N 7 121.400 119.381 2.019 1
1 70 . 20 1 1 A 8 8 THR H H 8 8.170 8.663 -0.493 1
1 71 . 20 1 1 A 8 8 THR HA H 8 5.220 4.437 0.783 1
1 76 . 20 1 1 A 8 8 THR CA C 8 59.800 63.033 -3.233 1
1 77 . 20 1 1 A 8 8 THR CB C 8 71.600 69.497 2.103 1
1 79 . 20 1 1 A 8 8 THR N N 8 113.700 119.977 -6.277 1
1 80 . 20 1 1 A 9 9 VAL H H 9 8.990 9.118 -0.128 1
1 81 . 20 1 1 A 9 9 VAL HA H 9 3.370 3.992 -0.622 1
1 89 . 20 1 1 A 9 9 VAL CA C 9 66.700 65.087 1.613 1
1 90 . 20 1 1 A 9 9 VAL CB C 9 30.200 31.869 -1.669 1
1 93 . 20 1 1 A 9 9 VAL N N 9 121.400 126.363 -4.963 1
1 94 . 20 1 1 A 10 10 ALA H H 10 9.340 8.121 1.219 1
1 95 . 20 1 1 A 10 10 ALA HA H 10 3.720 4.052 -0.332 1
1 99 . 20 1 1 A 10 10 ALA CA C 10 55.800 55.371 0.429 1
1 100 . 20 1 1 A 10 10 ALA CB C 10 18.200 18.163 0.037 1
1 101 . 20 1 1 A 10 10 ALA N N 10 122.000 123.499 -1.499 1
1 102 . 20 1 1 A 11 11 GLN H H 11 7.330 8.098 -0.768 1
1 103 . 20 1 1 A 11 11 GLN HA H 11 4.050 3.985 0.065 1
1 110 . 20 1 1 A 11 11 GLN CA C 11 58.400 58.871 -0.471 1
1 111 . 20 1 1 A 11 11 GLN CB C 11 28.700 28.064 0.636 1
1 113 . 20 1 1 A 11 11 GLN N N 11 115.300 118.249 -2.949 1
1 115 . 20 1 1 A 12 12 LEU H H 12 8.510 8.337 0.173 1
1 116 . 20 1 1 A 12 12 LEU HA H 12 4.200 4.203 -0.003 1
1 126 . 20 1 1 A 12 12 LEU CA C 12 57.600 57.760 -0.160 1
1 127 . 20 1 1 A 12 12 LEU CB C 12 41.700 41.548 0.152 1
1 131 . 20 1 1 A 12 12 LEU N N 12 121.500 120.731 0.769 1
1 132 . 20 1 1 A 13 13 ALA H H 13 9.160 8.339 0.821 1
1 133 . 20 1 1 A 13 13 ALA HA H 13 3.990 4.042 -0.052 1
1 137 . 20 1 1 A 13 13 ALA CA C 13 55.400 55.319 0.081 1
1 138 . 20 1 1 A 13 13 ALA CB C 13 17.700 17.827 -0.127 1
1 139 . 20 1 1 A 13 13 ALA N N 13 121.000 120.465 0.535 1
1 140 . 20 1 1 A 14 14 ASP H H 14 7.920 8.143 -0.223 1
1 141 . 20 1 1 A 14 14 ASP HA H 14 4.480 4.382 0.098 1
1 144 . 20 1 1 A 14 14 ASP CA C 14 57.200 57.318 -0.118 1
1 145 . 20 1 1 A 14 14 ASP CB C 14 39.500 41.029 -1.529 1
1 146 . 20 1 1 A 14 14 ASP N N 14 117.400 118.448 -1.048 1
1 147 . 20 1 1 A 15 15 GLU H H 15 8.210 8.080 0.130 1
1 148 . 20 1 1 A 15 15 GLU HA H 15 4.110 4.019 0.091 1
1 153 . 20 1 1 A 15 15 GLU CA C 15 59.800 59.393 0.407 1
1 154 . 20 1 1 A 15 15 GLU CB C 15 30.100 29.582 0.518 1
1 156 . 20 1 1 A 15 15 GLU N N 15 122.500 119.231 3.269 1
1 157 . 20 1 1 A 16 16 TYR H H 16 9.230 8.349 0.881 1
1 158 . 20 1 1 A 16 16 TYR HA H 16 3.180 4.085 -0.905 1
1 165 . 20 1 1 A 16 16 TYR CA C 16 61.100 61.406 -0.306 1
1 166 . 20 1 1 A 16 16 TYR CB C 16 38.300 38.212 0.088 1
1 169 . 20 1 1 A 16 16 TYR N N 16 119.400 120.888 -1.488 1
1 170 . 20 1 1 A 17 17 PHE H H 17 8.700 8.216 0.484 1
1 171 . 20 1 1 A 17 17 PHE HA H 17 3.480 4.129 -0.649 1
1 178 . 20 1 1 A 17 17 PHE CA C 17 61.600 61.494 0.106 1
1 179 . 20 1 1 A 17 17 PHE CB C 17 39.300 39.225 0.075 1
1 182 . 20 1 1 A 17 17 PHE N N 17 118.400 121.137 -2.737 1
1 183 . 20 1 1 A 18 18 GLU H H 18 8.280 7.979 0.301 1
1 184 . 20 1 1 A 18 18 GLU HA H 18 3.840 3.994 -0.154 1
1 189 . 20 1 1 A 18 18 GLU CA C 18 58.800 59.306 -0.506 1
1 190 . 20 1 1 A 18 18 GLU CB C 18 29.000 29.317 -0.317 1
1 192 . 20 1 1 A 18 18 GLU N N 18 118.500 119.979 -1.479 1
1 193 . 20 1 1 A 19 19 ARG H H 19 8.350 7.454 0.896 1
1 194 . 20 1 1 A 19 19 ARG HA H 19 4.200 4.304 -0.104 1
1 202 . 20 1 1 A 19 19 ARG CA C 19 57.300 57.063 0.237 1
1 203 . 20 1 1 A 19 19 ARG CB C 19 30.900 30.888 0.012 1
1 206 . 20 1 1 A 19 19 ARG N N 19 114.300 118.234 -3.934 1
1 208 . 20 1 1 A 20 20 MET H H 20 7.960 7.995 -0.035 1
1 209 . 20 1 1 A 20 20 MET HA H 20 4.610 4.315 0.295 1
1 217 . 20 1 1 A 20 20 MET CA C 20 54.100 55.447 -1.347 1
1 218 . 20 1 1 A 20 20 MET CB C 20 31.800 32.797 -0.997 1
1 221 . 20 1 1 A 20 20 MET N N 20 112.400 114.633 -2.233 1
1 222 . 20 1 1 A 21 21 ILE H H 21 6.970 7.002 -0.032 1
1 223 . 20 1 1 A 21 21 ILE HA H 21 4.050 3.962 0.088 1
1 233 . 20 1 1 A 21 21 ILE CA C 21 59.800 62.820 -3.020 1
1 234 . 20 1 1 A 21 21 ILE CB C 21 35.900 38.584 -2.684 1
1 238 . 20 1 1 A 21 21 ILE N N 21 117.900 116.589 1.311 1
1 239 . 20 1 1 A 22 22 ALA H H 22 7.700 7.339 0.361 1
1 240 . 20 1 1 A 22 22 ALA HA H 22 3.600 3.392 0.208 1
1 244 . 20 1 1 A 22 22 ALA CA C 22 53.900 53.602 0.298 1
1 245 . 20 1 1 A 22 22 ALA CB C 22 18.000 18.194 -0.194 1
1 246 . 20 1 1 A 22 22 ALA N N 22 123.500 122.335 1.165 1
1 247 . 20 1 1 A 23 23 GLY H H 23 8.460 8.626 -0.166 1
1 248 . 20 1 1 A 23 23 GLY HA2 H 23 3.960 4.209 -0.249 1
1 249 . 20 1 1 A 23 23 GLY HA3 H 23 3.820 4.253 -0.433 1
1 250 . 20 1 1 A 23 23 GLY CA C 23 45.600 46.018 -0.418 1
1 251 . 20 1 1 A 23 23 GLY N N 23 109.600 110.703 -1.103 1
1 252 . 20 1 1 A 24 24 ARG H H 24 7.830 8.595 -0.765 1
1 253 . 20 1 1 A 24 24 ARG HA H 24 4.440 4.775 -0.335 1
1 261 . 20 1 1 A 24 24 ARG CA C 24 56.700 55.173 1.527 1
1 262 . 20 1 1 A 24 24 ARG CB C 24 32.400 32.148 0.252 1
1 265 . 20 1 1 A 24 24 ARG N N 24 118.400 122.588 -4.188 1
1 267 . 20 1 1 A 25 25 TRP H H 25 8.240 8.759 -0.519 1
1 268 . 20 1 1 A 25 25 TRP HA H 25 4.640 4.890 -0.250 1
1 277 . 20 1 1 A 25 25 TRP CA C 25 56.900 56.974 -0.074 1
1 278 . 20 1 1 A 25 25 TRP CB C 25 31.400 31.129 0.271 1
1 284 . 20 1 1 A 25 25 TRP N N 25 121.500 123.972 -2.472 1
1 286 . 20 1 1 A 26 26 LYS H H 26 7.890 6.813 1.077 1
1 287 . 20 1 1 A 26 26 LYS HA H 26 3.910 3.633 0.277 1
1 296 . 20 1 1 A 26 26 LYS CA C 26 56.800 56.955 -0.155 1
1 297 . 20 1 1 A 26 26 LYS CB C 26 32.200 31.104 1.096 1
1 301 . 20 1 1 A 26 26 LYS N N 26 122.500 115.325 7.175 1
1 302 . 20 1 1 A 27 27 HIS H H 27 7.840 8.227 -0.387 1
1 303 . 20 1 1 A 27 27 HIS HA H 27 5.230 4.240 0.990 1
1 307 . 20 1 1 A 27 27 HIS CA C 27 53.200 56.358 -3.158 1
1 308 . 20 1 1 A 27 27 HIS CB C 27 28.200 27.688 0.512 1
1 310 . 20 1 1 A 27 27 HIS N N 27 112.700 118.062 -5.362 1
1 311 . 20 1 1 A 28 28 PRO HA H 28 4.120 4.655 -0.535 1
1 318 . 20 1 1 A 28 28 PRO CA C 28 65.400 65.970 -0.570 1
1 319 . 20 1 1 A 28 28 PRO CB C 28 32.200 32.104 0.096 1
1 322 . 20 1 1 A 29 29 ASN H H 29 8.840 9.041 -0.201 1
1 323 . 20 1 1 A 29 29 ASN HA H 29 4.470 4.545 -0.075 1
1 328 . 20 1 1 A 29 29 ASN CA C 29 56.100 55.680 0.420 1
1 329 . 20 1 1 A 29 29 ASN CB C 29 37.000 37.457 -0.457 1
1 330 . 20 1 1 A 29 29 ASN N N 29 116.300 115.189 1.111 1
1 332 . 20 1 1 A 30 30 ILE H H 30 7.630 7.927 -0.297 1
1 333 . 20 1 1 A 30 30 ILE HA H 30 3.910 3.645 0.265 1
1 343 . 20 1 1 A 30 30 ILE CA C 30 63.700 65.047 -1.347 1
1 344 . 20 1 1 A 30 30 ILE CB C 30 37.300 37.953 -0.653 1
1 348 . 20 1 1 A 30 30 ILE N N 30 121.500 121.274 0.226 1
1 349 . 20 1 1 A 31 31 VAL H H 31 6.920 7.778 -0.858 1
1 350 . 20 1 1 A 31 31 VAL HA H 31 3.020 3.748 -0.728 1
1 358 . 20 1 1 A 31 31 VAL CA C 31 65.500 64.858 0.642 1
1 359 . 20 1 1 A 31 31 VAL CB C 31 30.900 31.415 -0.515 1
1 362 . 20 1 1 A 31 31 VAL N N 31 119.900 121.287 -1.387 1
1 363 . 20 1 1 A 32 32 ARG H H 32 8.080 8.174 -0.094 1
1 364 . 20 1 1 A 32 32 ARG HA H 32 3.380 4.135 -0.755 1
1 371 . 20 1 1 A 32 32 ARG CA C 32 58.900 60.095 -1.195 1
1 372 . 20 1 1 A 32 32 ARG CB C 32 28.800 29.777 -0.977 1
1 375 . 20 1 1 A 32 32 ARG N N 32 118.900 122.132 -3.232 1
1 376 . 20 1 1 A 33 33 SER H H 33 7.840 7.940 -0.100 1
1 377 . 20 1 1 A 33 33 SER HA H 33 4.130 4.125 0.005 1
1 380 . 20 1 1 A 33 33 SER CA C 33 61.900 61.431 0.469 1
1 381 . 20 1 1 A 33 33 SER CB C 33 62.700 62.951 -0.251 1
1 382 . 20 1 1 A 33 33 SER N N 33 113.400 114.918 -1.518 1
1 383 . 20 1 1 A 34 34 ARG H H 34 7.610 7.857 -0.247 1
1 384 . 20 1 1 A 34 34 ARG HA H 34 4.370 4.321 0.049 1
1 392 . 20 1 1 A 34 34 ARG CA C 34 58.100 59.034 -0.934 1
1 393 . 20 1 1 A 34 34 ARG CB C 34 29.600 29.769 -0.169 1
1 396 . 20 1 1 A 34 34 ARG N N 34 119.900 121.458 -1.558 1
1 398 . 20 1 1 A 35 35 ILE H H 35 8.070 7.845 0.225 1
1 399 . 20 1 1 A 35 35 ILE HA H 35 3.470 3.595 -0.125 1
1 409 . 20 1 1 A 35 35 ILE CA C 35 65.800 65.341 0.459 1
1 410 . 20 1 1 A 35 35 ILE CB C 35 38.200 38.098 0.102 1
1 414 . 20 1 1 A 35 35 ILE N N 35 118.600 120.906 -2.306 1
1 415 . 20 1 1 A 36 36 GLU H H 36 8.710 8.663 0.047 1
1 416 . 20 1 1 A 36 36 GLU HA H 36 3.880 4.027 -0.147 1
1 421 . 20 1 1 A 36 36 GLU CA C 36 58.400 59.160 -0.760 1
1 422 . 20 1 1 A 36 36 GLU CB C 36 30.000 29.390 0.610 1
1 424 . 20 1 1 A 36 36 GLU N N 36 116.800 118.803 -2.003 1
1 425 . 20 1 1 A 37 37 LYS H H 37 8.550 7.833 0.717 1
1 426 . 20 1 1 A 37 37 LYS HA H 37 4.300 4.227 0.073 1
1 435 . 20 1 1 A 37 37 LYS CA C 37 57.300 58.548 -1.248 1
1 436 . 20 1 1 A 37 37 LYS CB C 37 33.000 32.915 0.085 1
1 440 . 20 1 1 A 37 37 LYS N N 37 114.300 120.946 -6.646 1
1 441 . 20 1 1 A 38 38 ASP H H 38 7.480 7.874 -0.394 1
1 442 . 20 1 1 A 38 38 ASP HA H 38 4.970 4.537 0.433 1
1 445 . 20 1 1 A 38 38 ASP CA C 38 55.300 56.669 -1.369 1
1 446 . 20 1 1 A 38 38 ASP CB C 38 42.700 41.053 1.647 1
1 447 . 20 1 1 A 38 38 ASP N N 38 113.900 118.846 -4.946 1
1 448 . 20 1 1 A 39 39 ILE H H 39 7.540 7.299 0.241 1
1 449 . 20 1 1 A 39 39 ILE HA H 39 3.940 4.110 -0.170 1
1 459 . 20 1 1 A 39 39 ILE CA C 39 64.700 63.755 0.945 1
1 460 . 20 1 1 A 39 39 ILE CB C 39 39.000 38.969 0.031 1
1 464 . 20 1 1 A 39 39 ILE N N 39 116.800 118.356 -1.556 1
1 465 . 20 1 1 A 40 40 LYS H H 40 8.840 7.142 1.698 1
1 466 . 20 1 1 A 40 40 LYS HA H 40 3.650 4.756 -1.106 1
1 475 . 20 1 1 A 40 40 LYS CA C 40 50.600 53.818 -3.218 1
1 476 . 20 1 1 A 40 40 LYS CB C 40 30.400 32.956 -2.556 1
1 480 . 20 1 1 A 40 40 LYS N N 40 118.400 121.135 -2.735 1
1 481 . 20 1 1 A 41 41 PRO HA H 41 4.280 4.440 -0.160 1
1 488 . 20 1 1 A 41 41 PRO CA C 41 65.700 65.163 0.537 1
1 489 . 20 1 1 A 41 41 PRO CB C 41 30.700 32.007 -1.307 1
1 492 . 20 1 1 A 42 42 ALA H H 42 6.660 8.221 -1.561 1
1 493 . 20 1 1 A 42 42 ALA HA H 42 4.430 4.542 -0.112 1
1 497 . 20 1 1 A 42 42 ALA CA C 42 53.800 51.579 2.221 1
1 498 . 20 1 1 A 42 42 ALA CB C 42 20.800 20.012 0.788 1
1 499 . 20 1 1 A 42 42 ALA N N 42 115.300 118.206 -2.906 1
1 500 . 20 1 1 A 43 43 ILE H H 43 7.540 7.876 -0.336 1
1 501 . 20 1 1 A 43 43 ILE HA H 43 4.810 4.515 0.295 1
1 511 . 20 1 1 A 43 43 ILE CA C 43 60.600 60.130 0.470 1
1 512 . 20 1 1 A 43 43 ILE CB C 43 41.200 37.911 3.289 1
1 516 . 20 1 1 A 43 43 ILE N N 43 105.000 114.799 -9.799 1
1 517 . 20 1 1 A 44 44 GLY H H 44 8.500 8.391 0.109 1
1 518 . 20 1 1 A 44 44 GLY HA2 H 44 4.170 3.883 0.287 1
1 519 . 20 1 1 A 44 44 GLY HA3 H 44 3.430 3.898 -0.468 1
1 520 . 20 1 1 A 44 44 GLY CA C 44 47.300 46.583 0.717 1
1 521 . 20 1 1 A 44 44 GLY N N 44 109.600 112.371 -2.771 1
1 522 . 20 1 1 A 45 45 SER H H 45 8.120 7.820 0.300 1
1 523 . 20 1 1 A 45 45 SER HA H 45 4.440 4.626 -0.186 1
1 526 . 20 1 1 A 45 45 SER CA C 45 58.600 58.856 -0.256 1
1 527 . 20 1 1 A 45 45 SER CB C 45 63.400 64.207 -0.807 1
1 528 . 20 1 1 A 45 45 SER N N 45 110.400 114.443 -4.043 1
1 529 . 20 1 1 A 46 46 LEU H H 46 7.480 7.396 0.084 1
1 530 . 20 1 1 A 46 46 LEU HA H 46 4.180 4.502 -0.322 1
1 540 . 20 1 1 A 46 46 LEU CA C 46 54.800 55.130 -0.330 1
1 541 . 20 1 1 A 46 46 LEU CB C 46 41.700 43.549 -1.849 1
1 545 . 20 1 1 A 46 46 LEU N N 46 122.600 124.153 -1.553 1
1 546 . 20 1 1 A 47 47 LYS H H 47 8.790 8.943 -0.153 1
1 547 . 20 1 1 A 47 47 LYS HA H 47 4.460 4.696 -0.236 1
1 556 . 20 1 1 A 47 47 LYS CA C 47 56.700 54.915 1.785 1
1 557 . 20 1 1 A 47 47 LYS CB C 47 31.100 34.597 -3.497 1
1 561 . 20 1 1 A 47 47 LYS N N 47 120.800 124.678 -3.878 1
1 562 . 20 1 1 A 48 48 VAL H H 48 8.600 8.799 -0.199 1
1 563 . 20 1 1 A 48 48 VAL HA H 48 3.470 3.955 -0.485 1
1 571 . 20 1 1 A 48 48 VAL CA C 48 66.900 66.304 0.596 1
1 572 . 20 1 1 A 48 48 VAL CB C 48 31.000 31.287 -0.287 1
1 575 . 20 1 1 A 48 48 VAL N N 48 123.000 120.612 2.388 1
1 576 . 20 1 1 A 49 49 GLU H H 49 9.360 8.317 1.043 1
1 577 . 20 1 1 A 49 49 GLU HA H 49 4.180 4.245 -0.065 1
1 582 . 20 1 1 A 49 49 GLU CA C 49 57.600 58.010 -0.410 1
1 583 . 20 1 1 A 49 49 GLU CB C 49 28.500 29.310 -0.810 1
1 585 . 20 1 1 A 49 49 GLU N N 49 115.300 121.680 -6.380 1
1 586 . 20 1 1 A 50 50 ASP H H 50 7.840 8.216 -0.376 1
1 587 . 20 1 1 A 50 50 ASP HA H 50 4.840 4.812 0.028 1
1 590 . 20 1 1 A 50 50 ASP CA C 50 53.800 53.460 0.340 1
1 591 . 20 1 1 A 50 50 ASP CB C 50 41.400 41.785 -0.385 1
1 592 . 20 1 1 A 50 50 ASP N N 50 118.900 119.833 -0.933 1
1 593 . 20 1 1 A 51 51 VAL H H 51 7.150 7.474 -0.324 1
1 594 . 20 1 1 A 51 51 VAL HA H 51 3.950 4.195 -0.245 1
1 602 . 20 1 1 A 51 51 VAL CA C 51 63.700 61.764 1.936 1
1 603 . 20 1 1 A 51 51 VAL CB C 51 30.900 30.665 0.235 1
1 606 . 20 1 1 A 51 51 VAL N N 51 119.900 119.394 0.506 1
1 607 . 20 1 1 A 52 52 LYS H H 52 11.840 7.965 3.875 1
1 608 . 20 1 1 A 52 52 LYS HA H 52 4.980 4.257 0.723 1
1 617 . 20 1 1 A 52 52 LYS CA C 52 52.800 53.939 -1.139 1
1 618 . 20 1 1 A 52 52 LYS CB C 52 33.100 31.304 1.796 1
1 622 . 20 1 1 A 52 52 LYS N N 52 133.900 128.638 5.262 1
1 623 . 20 1 1 A 53 53 PRO HA H 53 4.370 4.227 0.143 1
1 630 . 20 1 1 A 53 53 PRO CA C 53 66.600 65.049 1.551 1
1 631 . 20 1 1 A 53 53 PRO CB C 53 31.600 32.005 -0.405 1
1 634 . 20 1 1 A 54 54 ARG H H 54 8.180 8.428 -0.248 1
1 635 . 20 1 1 A 54 54 ARG HA H 54 4.200 4.117 0.083 1
1 643 . 20 1 1 A 54 54 ARG CA C 54 58.300 59.035 -0.735 1
1 644 . 20 1 1 A 54 54 ARG CB C 54 28.700 30.114 -1.414 1
1 647 . 20 1 1 A 54 54 ARG N N 54 113.800 118.489 -4.689 1
1 649 . 20 1 1 A 55 55 HIS H H 55 7.650 7.681 -0.031 1
1 650 . 20 1 1 A 55 55 HIS HA H 55 4.430 4.428 0.002 1
1 655 . 20 1 1 A 55 55 HIS CA C 55 60.500 59.870 0.630 1
1 656 . 20 1 1 A 55 55 HIS CB C 55 31.400 30.944 0.456 1
1 659 . 20 1 1 A 55 55 HIS N N 55 118.400 118.279 0.121 1
1 660 . 20 1 1 A 56 56 ILE H H 56 7.280 8.086 -0.806 1
1 661 . 20 1 1 A 56 56 ILE HA H 56 3.480 3.616 -0.136 1
1 671 . 20 1 1 A 56 56 ILE CA C 56 61.900 64.442 -2.542 1
1 672 . 20 1 1 A 56 56 ILE CB C 56 33.900 36.431 -2.531 1
1 676 . 20 1 1 A 56 56 ILE N N 56 117.400 119.908 -2.508 1
1 677 . 20 1 1 A 57 57 ASP H H 57 8.010 8.366 -0.356 1
1 678 . 20 1 1 A 57 57 ASP HA H 57 4.220 4.016 0.204 1
1 681 . 20 1 1 A 57 57 ASP CA C 57 57.200 58.036 -0.836 1
1 682 . 20 1 1 A 57 57 ASP CB C 57 40.900 41.820 -0.920 1
1 683 . 20 1 1 A 57 57 ASP N N 57 119.400 122.457 -3.057 1
1 684 . 20 1 1 A 58 58 ASP H H 58 8.000 7.642 0.358 1
1 685 . 20 1 1 A 58 58 ASP HA H 58 4.380 4.372 0.008 1
1 688 . 20 1 1 A 58 58 ASP CA C 58 57.600 57.283 0.317 1
1 689 . 20 1 1 A 58 58 ASP CB C 58 39.200 41.329 -2.129 1
1 690 . 20 1 1 A 58 58 ASP N N 58 117.400 119.856 -2.456 1
1 691 . 20 1 1 A 59 59 VAL H H 59 7.800 7.534 0.266 1
1 692 . 20 1 1 A 59 59 VAL HA H 59 3.620 3.837 -0.217 1
1 700 . 20 1 1 A 59 59 VAL CA C 59 66.200 65.758 0.442 1
1 701 . 20 1 1 A 59 59 VAL CB C 59 31.400 31.189 0.211 1
1 704 . 20 1 1 A 59 59 VAL N N 59 121.200 117.106 4.094 1
1 705 . 20 1 1 A 60 60 LEU H H 60 8.030 7.814 0.216 1
1 706 . 20 1 1 A 60 60 LEU HA H 60 3.870 3.850 0.020 1
1 716 . 20 1 1 A 60 60 LEU CA C 60 58.000 58.279 -0.279 1
1 717 . 20 1 1 A 60 60 LEU CB C 60 40.300 41.231 -0.931 1
1 721 . 20 1 1 A 60 60 LEU N N 60 118.900 121.682 -2.782 1
1 722 . 20 1 1 A 61 61 LYS H H 61 8.710 7.763 0.947 1
1 723 . 20 1 1 A 61 61 LYS HA H 61 3.920 3.999 -0.079 1
1 732 . 20 1 1 A 61 61 LYS CA C 61 59.600 59.634 -0.034 1
1 733 . 20 1 1 A 61 61 LYS CB C 61 32.500 32.161 0.339 1
1 737 . 20 1 1 A 61 61 LYS N N 61 118.300 117.720 0.580 1
1 738 . 20 1 1 A 62 62 ALA H H 62 7.590 7.876 -0.286 1
1 739 . 20 1 1 A 62 62 ALA HA H 62 4.170 3.959 0.211 1
1 743 . 20 1 1 A 62 62 ALA CA C 62 55.100 55.264 -0.164 1
1 744 . 20 1 1 A 62 62 ALA CB C 62 17.900 18.052 -0.152 1
1 745 . 20 1 1 A 62 62 ALA N N 62 121.000 122.556 -1.556 1
1 746 . 20 1 1 A 63 63 VAL H H 63 8.090 7.874 0.216 1
1 747 . 20 1 1 A 63 63 VAL HA H 63 3.710 3.825 -0.115 1
1 755 . 20 1 1 A 63 63 VAL CA C 63 65.700 64.934 0.766 1
1 756 . 20 1 1 A 63 63 VAL CB C 63 31.700 31.780 -0.080 1
1 759 . 20 1 1 A 63 63 VAL N N 63 118.000 116.682 1.318 1
1 760 . 20 1 1 A 64 64 MET H H 64 8.360 7.942 0.418 1
1 761 . 20 1 1 A 64 64 MET HA H 64 4.110 4.110 0.000 1
1 769 . 20 1 1 A 64 64 MET CA C 64 57.600 58.815 -1.215 1
1 770 . 20 1 1 A 64 64 MET CB C 64 31.700 32.801 -1.101 1
1 773 . 20 1 1 A 64 64 MET N N 64 119.400 120.897 -1.497 1
1 774 . 20 1 1 A 65 65 LYS H H 65 7.660 8.184 -0.524 1
1 775 . 20 1 1 A 65 65 LYS HA H 65 4.170 4.020 0.150 1
1 784 . 20 1 1 A 65 65 LYS CA C 65 58.100 59.400 -1.300 1
1 785 . 20 1 1 A 65 65 LYS CB C 65 32.500 32.025 0.475 1
1 789 . 20 1 1 A 65 65 LYS N N 65 118.900 118.196 0.704 1
1 790 . 20 1 1 A 66 66 ARG H H 66 7.600 7.964 -0.364 1
1 791 . 20 1 1 A 66 66 ARG HA H 66 4.430 4.101 0.329 1
1 799 . 20 1 1 A 66 66 ARG CA C 66 56.600 58.821 -2.221 1
1 800 . 20 1 1 A 66 66 ARG CB C 66 30.400 30.332 0.068 1
1 803 . 20 1 1 A 66 66 ARG N N 66 115.800 119.566 -3.766 1
1 805 . 20 1 1 A 67 67 GLY H H 67 7.830 7.674 0.156 1
1 806 . 20 1 1 A 67 67 GLY HA2 H 67 4.010 4.084 -0.074 1
1 807 . 20 1 1 A 67 67 GLY HA3 H 67 3.980 4.087 -0.107 1
1 808 . 20 1 1 A 67 67 GLY CA C 67 45.700 45.309 0.391 1
1 809 . 20 1 1 A 67 67 GLY N N 67 107.400 107.022 0.378 1
1 810 . 20 1 1 A 68 68 ALA H H 68 7.730 8.181 -0.451 1
1 811 . 20 1 1 A 68 68 ALA HA H 68 4.980 4.615 0.365 1
1 815 . 20 1 1 A 68 68 ALA CA C 68 49.700 50.224 -0.524 1
1 816 . 20 1 1 A 68 68 ALA CB C 68 18.900 21.552 -2.652 1
1 817 . 20 1 1 A 68 68 ALA N N 68 122.500 121.394 1.106 1
1 818 . 20 1 1 A 69 69 PRO HA H 69 4.350 4.231 0.119 1
1 825 . 20 1 1 A 69 69 PRO CA C 69 65.400 64.537 0.863 1
1 826 . 20 1 1 A 69 69 PRO CB C 69 31.700 32.037 -0.337 1
1 829 . 20 1 1 A 70 70 SER H H 70 8.430 8.414 0.016 1
1 830 . 20 1 1 A 70 70 SER HA H 70 4.250 4.443 -0.193 1
1 833 . 20 1 1 A 70 70 SER CA C 70 61.000 61.588 -0.588 1
1 834 . 20 1 1 A 70 70 SER CB C 70 61.500 62.794 -1.294 1
1 835 . 20 1 1 A 70 70 SER N N 70 112.200 113.455 -1.255 1
1 836 . 20 1 1 A 71 71 ILE H H 71 7.430 7.813 -0.383 1
1 837 . 20 1 1 A 71 71 ILE HA H 71 3.980 3.775 0.205 1
1 847 . 20 1 1 A 71 71 ILE CA C 71 63.100 64.417 -1.317 1
1 848 . 20 1 1 A 71 71 ILE CB C 71 36.700 36.251 0.449 1
1 852 . 20 1 1 A 71 71 ILE N N 71 122.000 121.331 0.669 1
1 853 . 20 1 1 A 72 72 ALA H H 72 7.780 8.257 -0.477 1
1 854 . 20 1 1 A 72 72 ALA HA H 72 3.910 3.988 -0.078 1
1 858 . 20 1 1 A 72 72 ALA CA C 72 55.800 55.172 0.628 1
1 859 . 20 1 1 A 72 72 ALA CB C 72 17.900 18.096 -0.196 1
1 860 . 20 1 1 A 72 72 ALA N N 72 126.100 122.482 3.618 1
1 861 . 20 1 1 A 73 73 ASN H H 73 8.180 8.267 -0.087 1
1 862 . 20 1 1 A 73 73 ASN HA H 73 4.410 4.459 -0.049 1
1 867 . 20 1 1 A 73 73 ASN CA C 73 55.900 56.366 -0.466 1
1 868 . 20 1 1 A 73 73 ASN CB C 73 37.800 37.513 0.287 1
1 869 . 20 1 1 A 73 73 ASN N N 73 116.700 117.345 -0.645 1
1 871 . 20 1 1 A 74 74 ASP H H 74 8.120 8.050 0.070 1
1 872 . 20 1 1 A 74 74 ASP HA H 74 4.410 4.433 -0.023 1
1 875 . 20 1 1 A 74 74 ASP CA C 74 57.500 57.375 0.125 1
1 876 . 20 1 1 A 74 74 ASP CB C 74 41.400 41.333 0.067 1
1 877 . 20 1 1 A 74 74 ASP N N 74 120.800 119.929 0.871 1
1 878 . 20 1 1 A 75 75 THR H H 75 8.360 8.004 0.356 1
1 879 . 20 1 1 A 75 75 THR HA H 75 3.750 4.057 -0.307 1
1 884 . 20 1 1 A 75 75 THR CA C 75 68.800 67.288 1.512 1
1 885 . 20 1 1 A 75 75 THR CB C 75 67.700 67.744 -0.044 1
1 887 . 20 1 1 A 75 75 THR N N 75 116.300 116.753 -0.453 1
1 888 . 20 1 1 A 76 76 LEU H H 76 8.160 8.696 -0.536 1
1 889 . 20 1 1 A 76 76 LEU HA H 76 3.980 4.007 -0.027 1
1 899 . 20 1 1 A 76 76 LEU CA C 76 58.000 58.253 -0.253 1
1 900 . 20 1 1 A 76 76 LEU CB C 76 40.500 41.452 -0.952 1
1 904 . 20 1 1 A 76 76 LEU N N 76 121.000 121.485 -0.485 1
1 905 . 20 1 1 A 77 77 ARG H H 77 7.810 8.105 -0.295 1
1 906 . 20 1 1 A 77 77 ARG HA H 77 3.790 3.871 -0.081 1
1 914 . 20 1 1 A 77 77 ARG CA C 77 60.000 59.621 0.379 1
1 915 . 20 1 1 A 77 77 ARG CB C 77 29.400 29.780 -0.380 1
1 918 . 20 1 1 A 77 77 ARG N N 77 118.400 118.978 -0.578 1
1 920 . 20 1 1 A 78 78 TRP H H 78 7.870 8.288 -0.418 1
1 921 . 20 1 1 A 78 78 TRP HA H 78 4.490 4.404 0.086 1
1 930 . 20 1 1 A 78 78 TRP CA C 78 60.200 61.723 -1.523 1
1 931 . 20 1 1 A 78 78 TRP CB C 78 28.700 29.691 -0.991 1
1 937 . 20 1 1 A 78 78 TRP N N 78 118.300 122.072 -3.772 1
1 939 . 20 1 1 A 79 79 LEU H H 79 8.630 8.962 -0.332 1
1 940 . 20 1 1 A 79 79 LEU HA H 79 3.940 3.607 0.333 1
1 950 . 20 1 1 A 79 79 LEU CA C 79 58.200 57.583 0.617 1
1 951 . 20 1 1 A 79 79 LEU CB C 79 42.300 41.239 1.061 1
1 955 . 20 1 1 A 79 79 LEU N N 79 120.200 119.392 0.808 1
1 956 . 20 1 1 A 80 80 LYS H H 80 8.710 8.250 0.460 1
1 957 . 20 1 1 A 80 80 LYS HA H 80 3.880 4.010 -0.130 1
1 966 . 20 1 1 A 80 80 LYS CA C 80 61.300 59.912 1.388 1
1 967 . 20 1 1 A 80 80 LYS CB C 80 32.300 32.685 -0.385 1
1 971 . 20 1 1 A 80 80 LYS N N 80 118.400 120.291 -1.891 1
1 972 . 20 1 1 A 81 81 ARG H H 81 7.800 7.759 0.041 1
1 973 . 20 1 1 A 81 81 ARG HA H 81 4.030 4.012 0.018 1
1 981 . 20 1 1 A 81 81 ARG CA C 81 59.700 59.293 0.407 1
1 982 . 20 1 1 A 81 81 ARG CB C 81 30.400 30.158 0.242 1
1 985 . 20 1 1 A 81 81 ARG N N 81 117.400 118.171 -0.771 1
1 987 . 20 1 1 A 82 82 MET H H 82 8.530 7.590 0.940 1
1 988 . 20 1 1 A 82 82 MET HA H 82 3.000 3.776 -0.776 1
1 996 . 20 1 1 A 82 82 MET CA C 82 58.900 58.635 0.265 1
1 997 . 20 1 1 A 82 82 MET CB C 82 32.300 31.311 0.989 1
1 1000 . 20 1 1 A 82 82 MET N N 82 121.400 118.743 2.657 1
1 1001 . 20 1 1 A 83 83 PHE H H 83 8.340 8.251 0.089 1
1 1002 . 20 1 1 A 83 83 PHE HA H 83 4.340 4.309 0.031 1
1 1010 . 20 1 1 A 83 83 PHE CA C 83 61.900 61.403 0.497 1
1 1011 . 20 1 1 A 83 83 PHE CB C 83 38.800 37.818 0.982 1
1 1015 . 20 1 1 A 83 83 PHE N N 83 116.900 117.752 -0.852 1
1 1016 . 20 1 1 A 84 84 ASN H H 84 8.170 8.258 -0.088 1
1 1017 . 20 1 1 A 84 84 ASN HA H 84 4.670 4.551 0.119 1
1 1022 . 20 1 1 A 84 84 ASN CA C 84 55.800 56.264 -0.464 1
1 1023 . 20 1 1 A 84 84 ASN CB C 84 37.500 38.761 -1.261 1
1 1024 . 20 1 1 A 84 84 ASN N N 84 120.500 119.159 1.341 1
1 1026 . 20 1 1 A 85 85 TYR H H 85 7.910 7.953 -0.043 1
1 1027 . 20 1 1 A 85 85 TYR HA H 85 4.320 4.180 0.140 1
1 1034 . 20 1 1 A 85 85 TYR CA C 85 61.100 61.927 -0.827 1
1 1035 . 20 1 1 A 85 85 TYR CB C 85 37.900 38.721 -0.821 1
1 1038 . 20 1 1 A 85 85 TYR N N 85 124.000 120.454 3.546 1
1 1039 . 20 1 1 A 86 86 ALA H H 86 7.780 8.311 -0.531 1
1 1040 . 20 1 1 A 86 86 ALA HA H 86 3.670 4.018 -0.348 1
1 1044 . 20 1 1 A 86 86 ALA CA C 86 54.800 54.860 -0.060 1
1 1045 . 20 1 1 A 86 86 ALA CB C 86 18.100 18.276 -0.176 1
1 1046 . 20 1 1 A 86 86 ALA N N 86 120.500 121.476 -0.976 1
1 1047 . 20 1 1 A 87 87 ILE H H 87 7.880 7.466 0.414 1
1 1048 . 20 1 1 A 87 87 ILE HA H 87 4.240 3.900 0.340 1
1 1058 . 20 1 1 A 87 87 ILE CA C 87 63.900 65.134 -1.234 1
1 1059 . 20 1 1 A 87 87 ILE CB C 87 37.900 37.722 0.178 1
1 1063 . 20 1 1 A 87 87 ILE N N 87 120.400 119.366 1.034 1
1 1064 . 20 1 1 A 88 88 LYS H H 88 7.880 7.753 0.127 1
1 1065 . 20 1 1 A 88 88 LYS HA H 88 3.900 3.880 0.020 1
1 1074 . 20 1 1 A 88 88 LYS CA C 88 58.900 60.189 -1.289 1
1 1075 . 20 1 1 A 88 88 LYS CB C 88 31.300 31.833 -0.533 1
1 1079 . 20 1 1 A 88 88 LYS N N 88 124.300 119.396 4.904 1
1 1080 . 20 1 1 A 89 89 ARG H H 89 7.350 7.372 -0.022 1
1 1081 . 20 1 1 A 89 89 ARG HA H 89 4.020 4.153 -0.133 1
1 1088 . 20 1 1 A 89 89 ARG CA C 89 54.600 55.916 -1.316 1
1 1089 . 20 1 1 A 89 89 ARG CB C 89 29.100 30.353 -1.253 1
1 1092 . 20 1 1 A 89 89 ARG N N 89 114.300 117.079 -2.779 1
1 1093 . 20 1 1 A 90 90 HIS H H 90 8.030 7.922 0.108 1
1 1094 . 20 1 1 A 90 90 HIS HA H 90 4.330 4.263 0.067 1
1 1098 . 20 1 1 A 90 90 HIS CA C 90 56.300 56.670 -0.370 1
1 1099 . 20 1 1 A 90 90 HIS CB C 90 25.200 29.056 -3.856 1
1 1101 . 20 1 1 A 90 90 HIS N N 90 113.200 116.148 -2.948 1
1 1102 . 20 1 1 A 91 91 ILE H H 91 8.370 8.096 0.274 1
1 1103 . 20 1 1 A 91 91 ILE HA H 91 3.830 3.741 0.089 1
1 1113 . 20 1 1 A 91 91 ILE CA C 91 63.600 64.187 -0.587 1
1 1114 . 20 1 1 A 91 91 ILE CB C 91 39.300 38.406 0.894 1
1 1118 . 20 1 1 A 91 91 ILE N N 91 118.400 117.276 1.124 1
1 1119 . 20 1 1 A 92 92 ILE H H 92 6.860 7.641 -0.781 1
1 1120 . 20 1 1 A 92 92 ILE HA H 92 4.570 4.763 -0.193 1
1 1130 . 20 1 1 A 92 92 ILE CA C 92 58.800 59.077 -0.277 1
1 1131 . 20 1 1 A 92 92 ILE CB C 92 42.700 41.127 1.573 1
1 1135 . 20 1 1 A 92 92 ILE N N 92 108.600 116.677 -8.077 1
1 1136 . 20 1 1 A 93 93 GLU H H 93 8.690 8.572 0.118 1
1 1137 . 20 1 1 A 93 93 GLU HA H 93 4.470 4.571 -0.101 1
1 1142 . 20 1 1 A 93 93 GLU CA C 93 56.400 55.156 1.244 1
1 1143 . 20 1 1 A 93 93 GLU CB C 93 31.200 30.074 1.126 1
1 1145 . 20 1 1 A 93 93 GLU N N 93 116.800 125.774 -8.974 1
1 1146 . 20 1 1 A 94 94 TYR H H 94 7.420 7.856 -0.436 1
1 1147 . 20 1 1 A 94 94 TYR HA H 94 4.710 4.516 0.194 1
1 1154 . 20 1 1 A 94 94 TYR CA C 94 55.800 59.131 -3.331 1
1 1155 . 20 1 1 A 94 94 TYR CB C 94 40.600 39.611 0.989 1
1 1158 . 20 1 1 A 94 94 TYR N N 94 117.900 121.069 -3.169 1
1 1159 . 20 1 1 A 95 95 ASN H H 95 8.960 8.228 0.732 1
1 1160 . 20 1 1 A 95 95 ASN HA H 95 4.550 4.395 0.155 1
1 1165 . 20 1 1 A 95 95 ASN CA C 95 49.700 53.849 -4.149 1
1 1166 . 20 1 1 A 95 95 ASN CB C 95 39.200 36.832 2.368 1
1 1167 . 20 1 1 A 95 95 ASN N N 95 122.500 118.074 4.426 1
1 1169 . 20 1 1 A 96 96 PRO HA H 96 4.300 4.209 0.091 1
1 1176 . 20 1 1 A 96 96 PRO CA C 96 64.000 64.618 -0.618 1
1 1177 . 20 1 1 A 96 96 PRO CB C 96 31.100 31.580 -0.480 1
1 1180 . 20 1 1 A 97 97 ALA H H 97 8.090 8.144 -0.054 1
1 1181 . 20 1 1 A 97 97 ALA HA H 97 4.540 4.397 0.143 1
1 1185 . 20 1 1 A 97 97 ALA CA C 97 51.200 53.581 -2.381 1
1 1186 . 20 1 1 A 97 97 ALA CB C 97 18.900 18.471 0.429 1
1 1187 . 20 1 1 A 97 97 ALA N N 97 118.400 119.536 -1.136 1
1 1188 . 20 1 1 A 98 98 ALA H H 98 7.330 7.741 -0.411 1
1 1189 . 20 1 1 A 98 98 ALA HA H 98 3.990 4.223 -0.233 1
1 1193 . 20 1 1 A 98 98 ALA CA C 98 54.700 53.814 0.886 1
1 1194 . 20 1 1 A 98 98 ALA CB C 98 18.900 18.498 0.402 1
1 1195 . 20 1 1 A 98 98 ALA N N 98 120.500 120.707 -0.207 1
1 1196 . 20 1 1 A 99 99 ALA H H 99 8.020 7.200 0.820 1
1 1197 . 20 1 1 A 99 99 ALA HA H 99 4.180 4.022 0.158 1
1 1201 . 20 1 1 A 99 99 ALA CA C 99 52.500 54.752 -2.252 1
1 1202 . 20 1 1 A 99 99 ALA CB C 99 18.200 19.277 -1.077 1
1 1203 . 20 1 1 A 99 99 ALA N N 99 117.400 119.710 -2.310 1
1 1204 . 20 1 1 A 100 100 PHE H H 100 7.320 7.851 -0.531 1
1 1205 . 20 1 1 A 100 100 PHE HA H 100 4.360 5.216 -0.856 1
1 1210 . 20 1 1 A 100 100 PHE CA C 100 57.700 56.534 1.166 1
1 1211 . 20 1 1 A 100 100 PHE CB C 100 40.500 40.823 -0.323 1
1 1213 . 20 1 1 A 100 100 PHE N N 100 117.400 113.491 3.909 1
1 1214 . 20 1 1 A 101 101 ASP H H 101 8.520 9.074 -0.554 1
1 1215 . 20 1 1 A 101 101 ASP HA H 101 4.910 5.363 -0.453 1
1 1218 . 20 1 1 A 101 101 ASP CA C 101 51.400 51.977 -0.577 1
1 1219 . 20 1 1 A 101 101 ASP CB C 101 41.400 41.778 -0.378 1
1 1220 . 20 1 1 A 101 101 ASP N N 101 122.600 124.155 -1.555 1
1 1221 . 20 1 1 A 102 102 PRO HA H 102 4.350 4.618 -0.268 1
1 1228 . 20 1 1 A 102 102 PRO CA C 102 63.400 62.775 0.625 1
1 1229 . 20 1 1 A 102 102 PRO CB C 102 31.900 31.981 -0.081 1
1 1232 . 20 1 1 A 103 103 GLY H H 103 8.440 8.568 -0.128 1
1 1233 . 20 1 1 A 103 103 GLY HA2 H 103 3.890 3.961 -0.071 1
1 1234 . 20 1 1 A 103 103 GLY HA3 H 103 3.860 3.964 -0.104 1
1 1235 . 20 1 1 A 103 103 GLY CA C 103 45.100 45.654 -0.554 1
1 1236 . 20 1 1 A 103 103 GLY N N 103 108.300 108.839 -0.539 1
1 1237 . 20 1 1 A 104 104 ASP H H 104 8.100 8.666 -0.566 1
1 1238 . 20 1 1 A 104 104 ASP HA H 104 4.620 4.715 -0.095 1
1 1241 . 20 1 1 A 104 104 ASP CA C 104 53.900 54.645 -0.745 1
1 1242 . 20 1 1 A 104 104 ASP CB C 104 40.700 41.328 -0.628 1
1 1243 . 20 1 1 A 104 104 ASP N N 104 120.100 124.219 -4.119 1
1 1244 . 20 1 1 A 105 105 ALA H H 105 8.360 8.553 -0.193 1
1 1245 . 20 1 1 A 105 105 ALA HA H 105 4.270 5.073 -0.803 1
1 1249 . 20 1 1 A 105 105 ALA CA C 105 52.900 50.941 1.959 1
1 1250 . 20 1 1 A 105 105 ALA CB C 105 18.800 21.212 -2.412 1
1 1251 . 20 1 1 A 105 105 ALA N N 105 124.600 128.771 -4.171 1
1 1252 . 20 1 1 A 106 106 GLY H H 106 8.470 8.807 -0.337 1
1 1253 . 20 1 1 A 106 106 GLY HA2 H 106 3.930 4.350 -0.420 1
1 1254 . 20 1 1 A 106 106 GLY HA3 H 106 3.910 4.351 -0.441 1
1 1255 . 20 1 1 A 106 106 GLY CA C 106 45.400 44.851 0.549 1
1 1256 . 20 1 1 A 106 106 GLY N N 106 107.500 110.193 -2.693 1
1 1257 . 20 1 1 A 107 107 GLY H H 107 8.170 8.565 -0.395 1
1 1258 . 20 1 1 A 107 107 GLY HA2 H 107 3.950 4.073 -0.123 1
1 1259 . 20 1 1 A 107 107 GLY HA3 H 107 3.940 4.073 -0.133 1
1 1260 . 20 1 1 A 107 107 GLY CA C 107 45.300 45.228 0.072 1
1 1261 . 20 1 1 A 107 107 GLY N N 107 108.600 108.309 0.291 1
1 1262 . 20 1 1 A 108 108 LYS H H 108 8.160 8.121 0.039 1
1 1263 . 20 1 1 A 108 108 LYS HA H 108 4.260 3.997 0.263 1
1 1272 . 20 1 1 A 108 108 LYS CA C 108 56.500 57.059 -0.559 1
1 1273 . 20 1 1 A 108 108 LYS CB C 108 32.800 31.057 1.743 1
1 1277 . 20 1 1 A 108 108 LYS N N 108 120.500 118.175 2.325 1
1 1278 . 20 1 1 A 109 109 LEU H H 109 8.220 8.130 0.090 1
1 1279 . 20 1 1 A 109 109 LEU HA H 109 4.260 4.757 -0.497 1
1 1289 . 20 1 1 A 109 109 LEU CA C 109 55.000 53.422 1.578 1
1 1290 . 20 1 1 A 109 109 LEU CB C 109 41.900 44.531 -2.631 1
1 1294 . 20 1 1 A 109 109 LEU N N 109 122.200 127.758 -5.558 1
1 1295 . 20 1 1 A 110 110 GLU H H 110 8.160 8.750 -0.590 1
1 1296 . 20 1 1 A 110 110 GLU HA H 110 4.190 3.833 0.357 1
1 1301 . 20 1 1 A 110 110 GLU CA C 110 56.000 57.688 -1.688 1
1 1302 . 20 1 1 A 110 110 GLU CB C 110 29.900 27.455 2.445 1
1 1304 . 20 1 1 A 110 110 GLU N N 110 121.000 121.164 -0.164 1
1 1305 . 20 1 1 A 111 111 HIS H H 111 8.460 7.749 0.711 1
1 1306 . 20 1 1 A 111 111 HIS HA H 111 4.630 4.891 -0.261 1
1 1309 . 20 1 1 A 111 111 HIS CA C 111 54.900 54.979 -0.079 1
1 1310 . 20 1 1 A 111 111 HIS CB C 111 28.700 32.408 -3.708 1
1 1311 . 20 1 1 A 111 111 HIS N N 111 118.900 119.006 -0.106 1
1 1312 . 20 1 1 A 112 112 HIS H H 112 8.540 8.624 -0.084 1
1 1313 . 20 1 1 A 112 112 HIS HA H 112 4.640 4.142 0.498 1
1 1316 . 20 1 1 A 112 112 HIS CA C 112 55.100 56.660 -1.560 1
1 1317 . 20 1 1 A 112 112 HIS CB C 112 28.900 27.203 1.697 1
1 1318 . 20 1 1 A 112 112 HIS N N 112 119.100 124.632 -5.532 1
1 1319 . 20 1 1 A 113 113 HIS H H 113 8.630 8.162 0.468 1
1 1320 . 20 1 1 A 113 113 HIS HA H 113 4.670 4.599 0.071 1
1 1323 . 20 1 1 A 113 113 HIS CA C 113 55.200 55.657 -0.457 1
1 1324 . 20 1 1 A 113 113 HIS CB C 113 28.900 30.059 -1.159 1
1 1325 . 20 1 1 A 113 113 HIS N N 113 119.400 124.487 -5.087 1
1 1326 . 20 1 1 A 114 114 HIS H H 114 8.670 8.003 0.667 1
1 1327 . 20 1 1 A 114 114 HIS HA H 114 4.670 4.181 0.489 1
1 1330 . 20 1 1 A 114 114 HIS CA C 114 55.200 59.426 -4.226 1
1 1331 . 20 1 1 A 114 114 HIS CB C 114 29.100 30.312 -1.212 1
1 1332 . 20 1 1 A 114 114 HIS N N 114 120.400 119.263 1.137 1
1 1333 . 20 1 1 A 115 115 HIS H H 115 8.560 7.520 1.040 1
1 1334 . 20 1 1 A 115 115 HIS HA H 115 4.660 4.452 0.208 1
1 1337 . 20 1 1 A 115 115 HIS CA C 115 55.300 55.969 -0.669 1
1 1338 . 20 1 1 A 115 115 HIS CB C 115 29.300 32.573 -3.273 1
1 1339 . 20 1 1 A 115 115 HIS N N 115 120.600 116.402 4.198 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 114 1.249 1
3 1 1 1 "RMS(OBS, PRED)" CB 108 1.417 1
4 1 1 1 "RMS(OBS, PRED)" H 108 0.623 1
5 1 1 1 "RMS(OBS, PRED)" HA 120 0.341 1
6 1 1 1 "RMS(OBS, PRED)" N 108 3.078 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 114 1.155 1
9 1 2 1 "RMS(OBS, PRED)" CB 108 1.389 1
10 1 2 1 "RMS(OBS, PRED)" H 108 0.605 1
11 1 2 1 "RMS(OBS, PRED)" HA 120 0.334 1
12 1 2 1 "RMS(OBS, PRED)" N 108 3.329 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 114 1.114 1
15 1 3 1 "RMS(OBS, PRED)" CB 108 1.282 1
16 1 3 1 "RMS(OBS, PRED)" H 108 0.637 1
17 1 3 1 "RMS(OBS, PRED)" HA 120 0.327 1
18 1 3 1 "RMS(OBS, PRED)" N 108 3.066 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 114 1.156 1
21 1 4 1 "RMS(OBS, PRED)" CB 108 1.321 1
22 1 4 1 "RMS(OBS, PRED)" H 108 0.643 1
23 1 4 1 "RMS(OBS, PRED)" HA 120 0.320 1
24 1 4 1 "RMS(OBS, PRED)" N 108 3.017 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 114 1.388 1
27 1 5 1 "RMS(OBS, PRED)" CB 108 1.418 1
28 1 5 1 "RMS(OBS, PRED)" H 108 0.605 1
29 1 5 1 "RMS(OBS, PRED)" HA 120 0.354 1
30 1 5 1 "RMS(OBS, PRED)" N 108 3.220 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 114 1.194 1
33 1 6 1 "RMS(OBS, PRED)" CB 108 1.372 1
34 1 6 1 "RMS(OBS, PRED)" H 108 0.652 1
35 1 6 1 "RMS(OBS, PRED)" HA 120 0.309 1
36 1 6 1 "RMS(OBS, PRED)" N 108 3.288 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 114 1.185 1
39 1 7 1 "RMS(OBS, PRED)" CB 108 1.417 1
40 1 7 1 "RMS(OBS, PRED)" H 108 0.619 1
41 1 7 1 "RMS(OBS, PRED)" HA 120 0.328 1
42 1 7 1 "RMS(OBS, PRED)" N 108 2.842 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 114 1.274 1
45 1 8 1 "RMS(OBS, PRED)" CB 108 1.286 1
46 1 8 1 "RMS(OBS, PRED)" H 108 0.625 1
47 1 8 1 "RMS(OBS, PRED)" HA 120 0.308 1
48 1 8 1 "RMS(OBS, PRED)" N 108 3.220 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 114 1.163 1
51 1 9 1 "RMS(OBS, PRED)" CB 108 1.380 1
52 1 9 1 "RMS(OBS, PRED)" H 108 0.654 1
53 1 9 1 "RMS(OBS, PRED)" HA 120 0.337 1
54 1 9 1 "RMS(OBS, PRED)" N 108 3.096 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 114 1.541 1
57 1 10 1 "RMS(OBS, PRED)" CB 108 1.230 1
58 1 10 1 "RMS(OBS, PRED)" H 108 0.626 1
59 1 10 1 "RMS(OBS, PRED)" HA 120 0.334 1
60 1 10 1 "RMS(OBS, PRED)" N 108 3.310 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 114 1.208 1
63 1 11 1 "RMS(OBS, PRED)" CB 108 1.214 1
64 1 11 1 "RMS(OBS, PRED)" H 108 0.666 1
65 1 11 1 "RMS(OBS, PRED)" HA 120 0.316 1
66 1 11 1 "RMS(OBS, PRED)" N 108 3.166 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 114 1.163 1
69 1 12 1 "RMS(OBS, PRED)" CB 108 1.323 1
70 1 12 1 "RMS(OBS, PRED)" H 108 0.641 1
71 1 12 1 "RMS(OBS, PRED)" HA 120 0.363 1
72 1 12 1 "RMS(OBS, PRED)" N 108 3.208 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 114 1.180 1
75 1 13 1 "RMS(OBS, PRED)" CB 108 1.439 1
76 1 13 1 "RMS(OBS, PRED)" H 108 0.600 1
77 1 13 1 "RMS(OBS, PRED)" HA 120 0.330 1
78 1 13 1 "RMS(OBS, PRED)" N 108 3.054 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 114 1.119 1
81 1 14 1 "RMS(OBS, PRED)" CB 108 1.332 1
82 1 14 1 "RMS(OBS, PRED)" H 108 0.652 1
83 1 14 1 "RMS(OBS, PRED)" HA 120 0.335 1
84 1 14 1 "RMS(OBS, PRED)" N 108 3.165 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 114 1.152 1
87 1 15 1 "RMS(OBS, PRED)" CB 108 1.402 1
88 1 15 1 "RMS(OBS, PRED)" H 108 0.677 1
89 1 15 1 "RMS(OBS, PRED)" HA 120 0.321 1
90 1 15 1 "RMS(OBS, PRED)" N 108 3.034 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 114 1.259 1
93 1 16 1 "RMS(OBS, PRED)" CB 108 1.387 1
94 1 16 1 "RMS(OBS, PRED)" H 108 0.639 1
95 1 16 1 "RMS(OBS, PRED)" HA 120 0.333 1
96 1 16 1 "RMS(OBS, PRED)" N 108 3.366 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 114 1.455 1
99 1 17 1 "RMS(OBS, PRED)" CB 108 1.356 1
100 1 17 1 "RMS(OBS, PRED)" H 108 0.671 1
101 1 17 1 "RMS(OBS, PRED)" HA 120 0.328 1
102 1 17 1 "RMS(OBS, PRED)" N 108 3.127 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 114 1.294 1
105 1 18 1 "RMS(OBS, PRED)" CB 108 1.315 1
106 1 18 1 "RMS(OBS, PRED)" H 108 0.675 1
107 1 18 1 "RMS(OBS, PRED)" HA 120 0.357 1
108 1 18 1 "RMS(OBS, PRED)" N 108 3.584 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 114 1.270 1
111 1 19 1 "RMS(OBS, PRED)" CB 108 1.436 1
112 1 19 1 "RMS(OBS, PRED)" H 108 0.636 1
113 1 19 1 "RMS(OBS, PRED)" HA 120 0.370 1
114 1 19 1 "RMS(OBS, PRED)" N 108 3.523 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 114 1.326 1
117 1 20 1 "RMS(OBS, PRED)" CB 108 1.368 1
118 1 20 1 "RMS(OBS, PRED)" H 108 0.650 1
119 1 20 1 "RMS(OBS, PRED)" HA 120 0.345 1
120 1 20 1 "RMS(OBS, PRED)" N 108 3.333 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 5 . 1 1 A 2 2 ALA H H 2 8.190 8.215 -0.025 2
1 6 . 1 1 A 2 2 ALA HA H 2 4.510 4.429 0.081 2
1 10 . 1 1 A 2 2 ALA CA C 2 51.900 52.312 -0.412 2
1 11 . 1 1 A 2 2 ALA CB C 2 19.500 19.491 0.009 2
1 12 . 1 1 A 2 2 ALA N N 2 124.100 122.756 1.344 2
1 13 . 1 1 A 3 3 GLU H H 3 8.740 8.554 0.186 2
1 14 . 1 1 A 3 3 GLU HA H 3 4.380 4.330 0.050 2
1 19 . 1 1 A 3 3 GLU CA C 3 56.000 58.060 -2.060 2
1 20 . 1 1 A 3 3 GLU CB C 3 29.900 29.994 -0.094 2
1 22 . 1 1 A 3 3 GLU N N 3 120.700 120.122 0.578 2
1 23 . 1 1 A 4 4 LYS H H 4 8.580 8.341 0.239 2
1 24 . 1 1 A 4 4 LYS HA H 4 4.280 4.383 -0.103 2
1 33 . 1 1 A 4 4 LYS CA C 4 56.600 57.769 -1.169 2
1 34 . 1 1 A 4 4 LYS CB C 4 32.600 33.602 -1.002 2
1 38 . 1 1 A 4 4 LYS N N 4 122.500 118.167 4.333 2
1 39 . 1 1 A 5 5 ASN H H 5 8.560 7.924 0.636 2
1 40 . 1 1 A 5 5 ASN HA H 5 4.700 5.019 -0.319 2
1 45 . 1 1 A 5 5 ASN CA C 5 53.200 52.943 0.257 2
1 46 . 1 1 A 5 5 ASN CB C 5 38.900 40.421 -1.521 2
1 47 . 1 1 A 5 5 ASN N N 5 119.500 117.113 2.387 2
1 49 . 1 1 A 6 6 ALA H H 6 8.210 8.292 -0.082 2
1 50 . 1 1 A 6 6 ALA HA H 6 4.520 4.327 0.193 2
1 54 . 1 1 A 6 6 ALA CA C 6 51.800 51.843 -0.042 2
1 55 . 1 1 A 6 6 ALA CB C 6 19.600 19.116 0.484 2
1 56 . 1 1 A 6 6 ALA N N 6 124.100 124.180 -0.080 2
1 57 . 1 1 A 7 7 TYR H H 7 8.740 8.111 0.629 2
1 58 . 1 1 A 7 7 TYR HA H 7 4.700 4.917 -0.217 2
1 65 . 1 1 A 7 7 TYR CA C 7 58.900 57.113 1.787 2
1 66 . 1 1 A 7 7 TYR CB C 7 40.300 40.210 0.090 2
1 69 . 1 1 A 7 7 TYR N N 7 121.400 119.851 1.549 2
1 70 . 1 1 A 8 8 THR H H 8 8.170 8.762 -0.592 2
1 71 . 1 1 A 8 8 THR HA H 8 5.220 4.726 0.494 2
1 76 . 1 1 A 8 8 THR CA C 8 59.800 60.914 -1.114 2
1 77 . 1 1 A 8 8 THR CB C 8 71.600 71.234 0.366 2
1 79 . 1 1 A 8 8 THR N N 8 113.700 115.079 -1.379 2
1 80 . 1 1 A 9 9 VAL H H 9 8.990 8.859 0.131 2
1 81 . 1 1 A 9 9 VAL HA H 9 3.370 3.963 -0.593 2
1 89 . 1 1 A 9 9 VAL CA C 9 66.700 64.845 1.855 2
1 90 . 1 1 A 9 9 VAL CB C 9 30.200 31.733 -1.533 2
1 93 . 1 1 A 9 9 VAL N N 9 121.400 122.489 -1.088 2
1 94 . 1 1 A 10 10 ALA H H 10 9.340 8.099 1.241 2
1 95 . 1 1 A 10 10 ALA HA H 10 3.720 3.993 -0.273 2
1 99 . 1 1 A 10 10 ALA CA C 10 55.800 55.593 0.207 2
1 100 . 1 1 A 10 10 ALA CB C 10 18.200 18.124 0.076 2
1 101 . 1 1 A 10 10 ALA N N 10 122.000 123.782 -1.782 2
1 102 . 1 1 A 11 11 GLN H H 11 7.330 7.731 -0.401 2
1 103 . 1 1 A 11 11 GLN HA H 11 4.050 4.093 -0.043 2
1 110 . 1 1 A 11 11 GLN CA C 11 58.400 58.639 -0.239 2
1 111 . 1 1 A 11 11 GLN CB C 11 28.700 28.356 0.344 2
1 113 . 1 1 A 11 11 GLN N N 11 115.300 117.772 -2.472 2
1 115 . 1 1 A 12 12 LEU H H 12 8.510 8.155 0.355 2
1 116 . 1 1 A 12 12 LEU HA H 12 4.200 4.300 -0.100 2
1 126 . 1 1 A 12 12 LEU CA C 12 57.600 57.993 -0.393 2
1 127 . 1 1 A 12 12 LEU CB C 12 41.700 41.514 0.186 2
1 131 . 1 1 A 12 12 LEU N N 12 121.500 122.091 -0.591 2
1 132 . 1 1 A 13 13 ALA H H 13 9.160 8.417 0.743 2
1 133 . 1 1 A 13 13 ALA HA H 13 3.990 4.082 -0.092 2
1 137 . 1 1 A 13 13 ALA CA C 13 55.400 55.294 0.106 2
1 138 . 1 1 A 13 13 ALA CB C 13 17.700 17.912 -0.212 2
1 139 . 1 1 A 13 13 ALA N N 13 121.000 120.793 0.207 2
1 140 . 1 1 A 14 14 ASP H H 14 7.920 8.105 -0.185 2
1 141 . 1 1 A 14 14 ASP HA H 14 4.480 4.516 -0.036 2
1 144 . 1 1 A 14 14 ASP CA C 14 57.200 57.505 -0.305 2
1 145 . 1 1 A 14 14 ASP CB C 14 39.500 41.026 -1.526 2
1 146 . 1 1 A 14 14 ASP N N 14 117.400 118.578 -1.178 2
1 147 . 1 1 A 15 15 GLU H H 15 8.210 8.079 0.131 2
1 148 . 1 1 A 15 15 GLU HA H 15 4.110 4.030 0.080 2
1 153 . 1 1 A 15 15 GLU CA C 15 59.800 59.285 0.515 2
1 154 . 1 1 A 15 15 GLU CB C 15 30.100 29.336 0.764 2
1 156 . 1 1 A 15 15 GLU N N 15 122.500 119.545 2.955 2
1 157 . 1 1 A 16 16 TYR H H 16 9.230 8.261 0.969 2
1 158 . 1 1 A 16 16 TYR HA H 16 3.180 4.028 -0.848 2
1 165 . 1 1 A 16 16 TYR CA C 16 61.100 61.399 -0.299 2
1 166 . 1 1 A 16 16 TYR CB C 16 38.300 38.247 0.053 2
1 169 . 1 1 A 16 16 TYR N N 16 119.400 121.000 -1.600 2
1 170 . 1 1 A 17 17 PHE H H 17 8.700 8.350 0.350 2
1 171 . 1 1 A 17 17 PHE HA H 17 3.480 4.122 -0.642 2
1 178 . 1 1 A 17 17 PHE CA C 17 61.600 60.913 0.687 2
1 179 . 1 1 A 17 17 PHE CB C 17 39.300 38.657 0.643 2
1 182 . 1 1 A 17 17 PHE N N 17 118.400 119.861 -1.461 2
1 183 . 1 1 A 18 18 GLU H H 18 8.280 7.984 0.296 2
1 184 . 1 1 A 18 18 GLU HA H 18 3.840 3.666 0.174 2
1 189 . 1 1 A 18 18 GLU CA C 18 58.800 59.361 -0.561 2
1 190 . 1 1 A 18 18 GLU CB C 18 29.000 28.919 0.081 2
1 192 . 1 1 A 18 18 GLU N N 18 118.500 118.896 -0.396 2
1 193 . 1 1 A 19 19 ARG H H 19 8.350 7.404 0.946 2
1 194 . 1 1 A 19 19 ARG HA H 19 4.200 4.097 0.103 2
1 202 . 1 1 A 19 19 ARG CA C 19 57.300 57.999 -0.699 2
1 203 . 1 1 A 19 19 ARG CB C 19 30.900 30.625 0.275 2
1 206 . 1 1 A 19 19 ARG N N 19 114.300 118.828 -4.528 2
1 208 . 1 1 A 20 20 MET H H 20 7.960 7.703 0.257 2
1 209 . 1 1 A 20 20 MET HA H 20 4.610 4.244 0.366 2
1 217 . 1 1 A 20 20 MET CA C 20 54.100 56.740 -2.640 2
1 218 . 1 1 A 20 20 MET CB C 20 31.800 32.773 -0.973 2
1 221 . 1 1 A 20 20 MET N N 20 112.400 117.607 -5.207 2
1 222 . 1 1 A 21 21 ILE H H 21 6.970 7.429 -0.459 2
1 223 . 1 1 A 21 21 ILE HA H 21 4.050 4.093 -0.043 2
1 233 . 1 1 A 21 21 ILE CA C 21 59.800 61.039 -1.239 2
1 234 . 1 1 A 21 21 ILE CB C 21 35.900 37.253 -1.353 2
1 238 . 1 1 A 21 21 ILE N N 21 117.900 117.007 0.893 2
1 239 . 1 1 A 22 22 ALA H H 22 7.700 7.608 0.092 2
1 240 . 1 1 A 22 22 ALA HA H 22 3.600 3.933 -0.333 2
1 244 . 1 1 A 22 22 ALA CA C 22 53.900 51.781 2.119 2
1 245 . 1 1 A 22 22 ALA CB C 22 18.000 19.655 -1.655 2
1 246 . 1 1 A 22 22 ALA N N 22 123.500 124.698 -1.198 2
1 247 . 1 1 A 23 23 GLY H H 23 8.460 8.149 0.311 2
1 248 . 1 1 A 23 23 GLY HA2 H 23 3.960 3.990 -0.030 2
1 249 . 1 1 A 23 23 GLY HA3 H 23 3.820 4.057 -0.237 2
1 250 . 1 1 A 23 23 GLY CA C 23 45.600 46.127 -0.527 2
1 251 . 1 1 A 23 23 GLY N N 23 109.600 107.971 1.629 2
1 252 . 1 1 A 24 24 ARG H H 24 7.830 8.283 -0.453 2
1 253 . 1 1 A 24 24 ARG HA H 24 4.440 4.704 -0.264 2
1 261 . 1 1 A 24 24 ARG CA C 24 56.700 55.305 1.395 2
1 262 . 1 1 A 24 24 ARG CB C 24 32.400 31.795 0.605 2
1 265 . 1 1 A 24 24 ARG N N 24 118.400 120.651 -2.251 2
1 267 . 1 1 A 25 25 TRP H H 25 8.240 8.562 -0.322 2
1 268 . 1 1 A 25 25 TRP HA H 25 4.640 4.869 -0.229 2
1 277 . 1 1 A 25 25 TRP CA C 25 56.900 57.106 -0.206 2
1 278 . 1 1 A 25 25 TRP CB C 25 31.400 31.170 0.230 2
1 284 . 1 1 A 25 25 TRP N N 25 121.500 123.298 -1.798 2
1 286 . 1 1 A 26 26 LYS H H 26 7.890 6.769 1.121 2
1 287 . 1 1 A 26 26 LYS HA H 26 3.910 3.491 0.419 2
1 296 . 1 1 A 26 26 LYS CA C 26 56.800 57.073 -0.273 2
1 297 . 1 1 A 26 26 LYS CB C 26 32.200 30.985 1.215 2
1 301 . 1 1 A 26 26 LYS N N 26 122.500 116.603 5.897 2
1 302 . 1 1 A 27 27 HIS H H 27 7.840 8.030 -0.190 2
1 303 . 1 1 A 27 27 HIS HA H 27 5.230 4.567 0.663 2
1 307 . 1 1 A 27 27 HIS CA C 27 53.200 54.911 -1.711 2
1 308 . 1 1 A 27 27 HIS CB C 27 28.200 28.691 -0.490 2
1 310 . 1 1 A 27 27 HIS N N 27 112.700 117.518 -4.818 2
1 311 . 1 1 A 28 28 PRO HA H 28 4.120 4.647 -0.527 2
1 318 . 1 1 A 28 28 PRO CA C 28 65.400 65.543 -0.143 2
1 319 . 1 1 A 28 28 PRO CB C 28 32.200 32.186 0.014 2
1 322 . 1 1 A 29 29 ASN H H 29 8.840 8.835 0.005 2
1 323 . 1 1 A 29 29 ASN HA H 29 4.470 4.522 -0.052 2
1 328 . 1 1 A 29 29 ASN CA C 29 56.100 55.571 0.529 2
1 329 . 1 1 A 29 29 ASN CB C 29 37.000 37.548 -0.548 2
1 330 . 1 1 A 29 29 ASN N N 29 116.300 115.002 1.298 2
1 332 . 1 1 A 30 30 ILE H H 30 7.630 7.859 -0.229 2
1 333 . 1 1 A 30 30 ILE HA H 30 3.910 3.663 0.247 2
1 343 . 1 1 A 30 30 ILE CA C 30 63.700 64.913 -1.213 2
1 344 . 1 1 A 30 30 ILE CB C 30 37.300 37.901 -0.601 2
1 348 . 1 1 A 30 30 ILE N N 30 121.500 121.075 0.426 2
1 349 . 1 1 A 31 31 VAL H H 31 6.920 8.071 -1.151 2
1 350 . 1 1 A 31 31 VAL HA H 31 3.020 3.753 -0.733 2
1 358 . 1 1 A 31 31 VAL CA C 31 65.500 64.967 0.533 2
1 359 . 1 1 A 31 31 VAL CB C 31 30.900 31.451 -0.551 2
1 362 . 1 1 A 31 31 VAL N N 31 119.900 120.872 -0.972 2
1 363 . 1 1 A 32 32 ARG H H 32 8.080 8.217 -0.137 2
1 364 . 1 1 A 32 32 ARG HA H 32 3.380 3.886 -0.506 2
1 371 . 1 1 A 32 32 ARG CA C 32 58.900 59.749 -0.849 2
1 372 . 1 1 A 32 32 ARG CB C 32 28.800 29.769 -0.969 2
1 375 . 1 1 A 32 32 ARG N N 32 118.900 122.284 -3.384 2
1 376 . 1 1 A 33 33 SER H H 33 7.840 8.103 -0.263 2
1 377 . 1 1 A 33 33 SER HA H 33 4.130 4.096 0.034 2
1 380 . 1 1 A 33 33 SER CA C 33 61.900 61.851 0.049 2
1 381 . 1 1 A 33 33 SER CB C 33 62.700 62.817 -0.117 2
1 382 . 1 1 A 33 33 SER N N 33 113.400 115.960 -2.560 2
1 383 . 1 1 A 34 34 ARG H H 34 7.610 7.592 0.018 2
1 384 . 1 1 A 34 34 ARG HA H 34 4.370 4.267 0.103 2
1 392 . 1 1 A 34 34 ARG CA C 34 58.100 58.825 -0.725 2
1 393 . 1 1 A 34 34 ARG CB C 34 29.600 29.876 -0.276 2
1 396 . 1 1 A 34 34 ARG N N 34 119.900 121.275 -1.375 2
1 398 . 1 1 A 35 35 ILE H H 35 8.070 8.031 0.039 2
1 399 . 1 1 A 35 35 ILE HA H 35 3.470 3.645 -0.175 2
1 409 . 1 1 A 35 35 ILE CA C 35 65.800 65.304 0.496 2
1 410 . 1 1 A 35 35 ILE CB C 35 38.200 37.798 0.402 2
1 414 . 1 1 A 35 35 ILE N N 35 118.600 120.611 -2.011 2
1 415 . 1 1 A 36 36 GLU H H 36 8.710 8.435 0.275 2
1 416 . 1 1 A 36 36 GLU HA H 36 3.880 4.117 -0.237 2
1 421 . 1 1 A 36 36 GLU CA C 36 58.400 58.710 -0.310 2
1 422 . 1 1 A 36 36 GLU CB C 36 30.000 29.352 0.648 2
1 424 . 1 1 A 36 36 GLU N N 36 116.800 119.093 -2.293 2
1 425 . 1 1 A 37 37 LYS H H 37 8.550 7.788 0.762 2
1 426 . 1 1 A 37 37 LYS HA H 37 4.300 4.339 -0.039 2
1 435 . 1 1 A 37 37 LYS CA C 37 57.300 57.957 -0.657 2
1 436 . 1 1 A 37 37 LYS CB C 37 33.000 33.491 -0.491 2
1 440 . 1 1 A 37 37 LYS N N 37 114.300 120.043 -5.743 2
1 441 . 1 1 A 38 38 ASP H H 38 7.480 8.172 -0.692 2
1 442 . 1 1 A 38 38 ASP HA H 38 4.970 4.544 0.426 2
1 445 . 1 1 A 38 38 ASP CA C 38 55.300 56.562 -1.262 2
1 446 . 1 1 A 38 38 ASP CB C 38 42.700 41.239 1.461 2
1 447 . 1 1 A 38 38 ASP N N 38 113.900 119.360 -5.460 2
1 448 . 1 1 A 39 39 ILE H H 39 7.540 7.750 -0.210 2
1 449 . 1 1 A 39 39 ILE HA H 39 3.940 3.992 -0.052 2
1 459 . 1 1 A 39 39 ILE CA C 39 64.700 64.016 0.684 2
1 460 . 1 1 A 39 39 ILE CB C 39 39.000 38.696 0.304 2
1 464 . 1 1 A 39 39 ILE N N 39 116.800 118.312 -1.512 2
1 465 . 1 1 A 40 40 LYS H H 40 8.840 7.636 1.204 2
1 466 . 1 1 A 40 40 LYS HA H 40 3.650 4.703 -1.053 2
1 475 . 1 1 A 40 40 LYS CA C 40 50.600 53.752 -3.152 2
1 476 . 1 1 A 40 40 LYS CB C 40 30.400 32.901 -2.501 2
1 480 . 1 1 A 40 40 LYS N N 40 118.400 120.264 -1.864 2
1 481 . 1 1 A 41 41 PRO HA H 41 4.280 4.482 -0.202 2
1 488 . 1 1 A 41 41 PRO CA C 41 65.700 65.158 0.542 2
1 489 . 1 1 A 41 41 PRO CB C 41 30.700 31.916 -1.216 2
1 492 . 1 1 A 42 42 ALA H H 42 6.660 8.097 -1.437 2
1 493 . 1 1 A 42 42 ALA HA H 42 4.430 4.538 -0.108 2
1 497 . 1 1 A 42 42 ALA CA C 42 53.800 52.054 1.746 2
1 498 . 1 1 A 42 42 ALA CB C 42 20.800 20.705 0.095 2
1 499 . 1 1 A 42 42 ALA N N 42 115.300 118.166 -2.866 2
1 500 . 1 1 A 43 43 ILE H H 43 7.540 7.798 -0.258 2
1 501 . 1 1 A 43 43 ILE HA H 43 4.810 4.358 0.452 2
1 511 . 1 1 A 43 43 ILE CA C 43 60.600 60.480 0.120 2
1 512 . 1 1 A 43 43 ILE CB C 43 41.200 37.832 3.368 2
1 516 . 1 1 A 43 43 ILE N N 43 105.000 114.927 -9.927 2
1 517 . 1 1 A 44 44 GLY H H 44 8.500 8.380 0.120 2
1 518 . 1 1 A 44 44 GLY HA2 H 44 4.170 3.939 0.231 2
1 519 . 1 1 A 44 44 GLY HA3 H 44 3.430 3.947 -0.517 2
1 520 . 1 1 A 44 44 GLY CA C 44 47.300 46.498 0.802 2
1 521 . 1 1 A 44 44 GLY N N 44 109.600 112.503 -2.903 2
1 522 . 1 1 A 45 45 SER H H 45 8.120 8.063 0.057 2
1 523 . 1 1 A 45 45 SER HA H 45 4.440 4.539 -0.099 2
1 526 . 1 1 A 45 45 SER CA C 45 58.600 58.569 0.031 2
1 527 . 1 1 A 45 45 SER CB C 45 63.400 63.205 0.195 2
1 528 . 1 1 A 45 45 SER N N 45 110.400 115.190 -4.790 2
1 529 . 1 1 A 46 46 LEU H H 46 7.480 7.452 0.028 2
1 530 . 1 1 A 46 46 LEU HA H 46 4.180 4.583 -0.404 2
1 540 . 1 1 A 46 46 LEU CA C 46 54.800 54.127 0.673 2
1 541 . 1 1 A 46 46 LEU CB C 46 41.700 43.592 -1.892 2
1 545 . 1 1 A 46 46 LEU N N 46 122.600 122.943 -0.343 2
1 546 . 1 1 A 47 47 LYS H H 47 8.790 8.422 0.368 2
1 547 . 1 1 A 47 47 LYS HA H 47 4.460 4.338 0.122 2
1 556 . 1 1 A 47 47 LYS CA C 47 56.700 56.593 0.107 2
1 557 . 1 1 A 47 47 LYS CB C 47 31.100 33.129 -2.029 2
1 561 . 1 1 A 47 47 LYS N N 47 120.800 123.079 -2.279 2
1 562 . 1 1 A 48 48 VAL H H 48 8.600 8.587 0.013 2
1 563 . 1 1 A 48 48 VAL HA H 48 3.470 3.818 -0.348 2
1 571 . 1 1 A 48 48 VAL CA C 48 66.900 66.341 0.559 2
1 572 . 1 1 A 48 48 VAL CB C 48 31.000 31.486 -0.486 2
1 575 . 1 1 A 48 48 VAL N N 48 123.000 122.519 0.481 2
1 576 . 1 1 A 49 49 GLU H H 49 9.360 8.262 1.098 2
1 577 . 1 1 A 49 49 GLU HA H 49 4.180 4.154 0.026 2
1 582 . 1 1 A 49 49 GLU CA C 49 57.600 58.506 -0.906 2
1 583 . 1 1 A 49 49 GLU CB C 49 28.500 29.406 -0.906 2
1 585 . 1 1 A 49 49 GLU N N 49 115.300 120.285 -4.985 2
1 586 . 1 1 A 50 50 ASP H H 50 7.840 7.867 -0.027 2
1 587 . 1 1 A 50 50 ASP HA H 50 4.840 4.685 0.155 2
1 590 . 1 1 A 50 50 ASP CA C 50 53.800 54.450 -0.650 2
1 591 . 1 1 A 50 50 ASP CB C 50 41.400 41.580 -0.180 2
1 592 . 1 1 A 50 50 ASP N N 50 118.900 118.625 0.275 2
1 593 . 1 1 A 51 51 VAL H H 51 7.150 7.392 -0.242 2
1 594 . 1 1 A 51 51 VAL HA H 51 3.950 4.285 -0.335 2
1 602 . 1 1 A 51 51 VAL CA C 51 63.700 61.850 1.850 2
1 603 . 1 1 A 51 51 VAL CB C 51 30.900 31.412 -0.512 2
1 606 . 1 1 A 51 51 VAL N N 51 119.900 119.948 -0.048 2
1 607 . 1 1 A 52 52 LYS H H 52 11.840 8.154 3.686 2
1 608 . 1 1 A 52 52 LYS HA H 52 4.980 4.477 0.503 2
1 617 . 1 1 A 52 52 LYS CA C 52 52.800 54.243 -1.443 2
1 618 . 1 1 A 52 52 LYS CB C 52 33.100 32.230 0.870 2
1 622 . 1 1 A 52 52 LYS N N 52 133.900 128.140 5.760 2
1 623 . 1 1 A 53 53 PRO HA H 53 4.370 4.364 0.006 2
1 630 . 1 1 A 53 53 PRO CA C 53 66.600 65.594 1.006 2
1 631 . 1 1 A 53 53 PRO CB C 53 31.600 31.895 -0.295 2
1 634 . 1 1 A 54 54 ARG H H 54 8.180 8.446 -0.266 2
1 635 . 1 1 A 54 54 ARG HA H 54 4.200 4.182 0.018 2
1 643 . 1 1 A 54 54 ARG CA C 54 58.300 58.910 -0.610 2
1 644 . 1 1 A 54 54 ARG CB C 54 28.700 29.635 -0.935 2
1 647 . 1 1 A 54 54 ARG N N 54 113.800 117.833 -4.033 2
1 649 . 1 1 A 55 55 HIS H H 55 7.650 7.800 -0.150 2
1 650 . 1 1 A 55 55 HIS HA H 55 4.430 4.463 -0.033 2
1 655 . 1 1 A 55 55 HIS CA C 55 60.500 59.712 0.788 2
1 656 . 1 1 A 55 55 HIS CB C 55 31.400 30.309 1.091 2
1 659 . 1 1 A 55 55 HIS N N 55 118.400 117.880 0.520 2
1 660 . 1 1 A 56 56 ILE H H 56 7.280 7.921 -0.641 2
1 661 . 1 1 A 56 56 ILE HA H 56 3.480 3.570 -0.090 2
1 671 . 1 1 A 56 56 ILE CA C 56 61.900 65.008 -3.108 2
1 672 . 1 1 A 56 56 ILE CB C 56 33.900 37.313 -3.413 2
1 676 . 1 1 A 56 56 ILE N N 56 117.400 119.987 -2.587 2
1 677 . 1 1 A 57 57 ASP H H 57 8.010 8.291 -0.281 2
1 678 . 1 1 A 57 57 ASP HA H 57 4.220 4.192 0.028 2
1 681 . 1 1 A 57 57 ASP CA C 57 57.200 57.778 -0.578 2
1 682 . 1 1 A 57 57 ASP CB C 57 40.900 41.387 -0.487 2
1 683 . 1 1 A 57 57 ASP N N 57 119.400 121.722 -2.322 2
1 684 . 1 1 A 58 58 ASP H H 58 8.000 8.021 -0.021 2
1 685 . 1 1 A 58 58 ASP HA H 58 4.380 4.387 -0.007 2
1 688 . 1 1 A 58 58 ASP CA C 58 57.600 57.309 0.291 2
1 689 . 1 1 A 58 58 ASP CB C 58 39.200 41.091 -1.891 2
1 690 . 1 1 A 58 58 ASP N N 58 117.400 119.672 -2.272 2
1 691 . 1 1 A 59 59 VAL H H 59 7.800 7.858 -0.058 2
1 692 . 1 1 A 59 59 VAL HA H 59 3.620 3.808 -0.188 2
1 700 . 1 1 A 59 59 VAL CA C 59 66.200 65.504 0.696 2
1 701 . 1 1 A 59 59 VAL CB C 59 31.400 31.455 -0.055 2
1 704 . 1 1 A 59 59 VAL N N 59 121.200 117.485 3.715 2
1 705 . 1 1 A 60 60 LEU H H 60 8.030 8.182 -0.152 2
1 706 . 1 1 A 60 60 LEU HA H 60 3.870 3.898 -0.028 2
1 716 . 1 1 A 60 60 LEU CA C 60 58.000 57.981 0.019 2
1 717 . 1 1 A 60 60 LEU CB C 60 40.300 41.033 -0.733 2
1 721 . 1 1 A 60 60 LEU N N 60 118.900 121.543 -2.643 2
1 722 . 1 1 A 61 61 LYS H H 61 8.710 8.100 0.610 2
1 723 . 1 1 A 61 61 LYS HA H 61 3.920 3.992 -0.072 2
1 732 . 1 1 A 61 61 LYS CA C 61 59.600 59.023 0.577 2
1 733 . 1 1 A 61 61 LYS CB C 61 32.500 32.158 0.342 2
1 737 . 1 1 A 61 61 LYS N N 61 118.300 119.556 -1.256 2
1 738 . 1 1 A 62 62 ALA H H 62 7.590 7.767 -0.177 2
1 739 . 1 1 A 62 62 ALA HA H 62 4.170 4.059 0.111 2
1 743 . 1 1 A 62 62 ALA CA C 62 55.100 55.006 0.094 2
1 744 . 1 1 A 62 62 ALA CB C 62 17.900 18.374 -0.474 2
1 745 . 1 1 A 62 62 ALA N N 62 121.000 121.722 -0.722 2
1 746 . 1 1 A 63 63 VAL H H 63 8.090 8.132 -0.042 2
1 747 . 1 1 A 63 63 VAL HA H 63 3.710 3.834 -0.124 2
1 755 . 1 1 A 63 63 VAL CA C 63 65.700 65.078 0.622 2
1 756 . 1 1 A 63 63 VAL CB C 63 31.700 31.385 0.315 2
1 759 . 1 1 A 63 63 VAL N N 63 118.000 116.718 1.282 2
1 760 . 1 1 A 64 64 MET H H 64 8.360 7.930 0.430 2
1 761 . 1 1 A 64 64 MET HA H 64 4.110 4.206 -0.096 2
1 769 . 1 1 A 64 64 MET CA C 64 57.600 58.115 -0.515 2
1 770 . 1 1 A 64 64 MET CB C 64 31.700 32.330 -0.630 2
1 773 . 1 1 A 64 64 MET N N 64 119.400 120.186 -0.786 2
1 774 . 1 1 A 65 65 LYS H H 65 7.660 7.791 -0.131 2
1 775 . 1 1 A 65 65 LYS HA H 65 4.170 4.072 0.098 2
1 784 . 1 1 A 65 65 LYS CA C 65 58.100 59.202 -1.102 2
1 785 . 1 1 A 65 65 LYS CB C 65 32.500 32.366 0.134 2
1 789 . 1 1 A 65 65 LYS N N 65 118.900 119.382 -0.482 2
1 790 . 1 1 A 66 66 ARG H H 66 7.600 8.344 -0.744 2
1 791 . 1 1 A 66 66 ARG HA H 66 4.430 4.168 0.262 2
1 799 . 1 1 A 66 66 ARG CA C 66 56.600 57.772 -1.172 2
1 800 . 1 1 A 66 66 ARG CB C 66 30.400 29.928 0.472 2
1 803 . 1 1 A 66 66 ARG N N 66 115.800 118.736 -2.936 2
1 805 . 1 1 A 67 67 GLY H H 67 7.830 7.701 0.129 2
1 806 . 1 1 A 67 67 GLY HA2 H 67 4.010 4.056 -0.046 2
1 807 . 1 1 A 67 67 GLY HA3 H 67 3.980 4.058 -0.078 2
1 808 . 1 1 A 67 67 GLY CA C 67 45.700 45.500 0.200 2
1 809 . 1 1 A 67 67 GLY N N 67 107.400 108.674 -1.274 2
1 810 . 1 1 A 68 68 ALA H H 68 7.730 8.091 -0.361 2
1 811 . 1 1 A 68 68 ALA HA H 68 4.980 4.684 0.296 2
1 815 . 1 1 A 68 68 ALA CA C 68 49.700 50.160 -0.460 2
1 816 . 1 1 A 68 68 ALA CB C 68 18.900 21.825 -2.925 2
1 817 . 1 1 A 68 68 ALA N N 68 122.500 122.353 0.147 2
1 818 . 1 1 A 69 69 PRO HA H 69 4.350 4.278 0.072 2
1 825 . 1 1 A 69 69 PRO CA C 69 65.400 64.791 0.609 2
1 826 . 1 1 A 69 69 PRO CB C 69 31.700 32.025 -0.325 2
1 829 . 1 1 A 70 70 SER H H 70 8.430 8.403 0.027 2
1 830 . 1 1 A 70 70 SER HA H 70 4.250 4.253 -0.003 2
1 833 . 1 1 A 70 70 SER CA C 70 61.000 61.430 -0.430 2
1 834 . 1 1 A 70 70 SER CB C 70 61.500 62.893 -1.393 2
1 835 . 1 1 A 70 70 SER N N 70 112.200 113.604 -1.404 2
1 836 . 1 1 A 71 71 ILE H H 71 7.430 7.874 -0.444 2
1 837 . 1 1 A 71 71 ILE HA H 71 3.980 3.759 0.221 2
1 847 . 1 1 A 71 71 ILE CA C 71 63.100 64.906 -1.806 2
1 848 . 1 1 A 71 71 ILE CB C 71 36.700 37.490 -0.790 2
1 852 . 1 1 A 71 71 ILE N N 71 122.000 121.487 0.513 2
1 853 . 1 1 A 72 72 ALA H H 72 7.780 8.078 -0.298 2
1 854 . 1 1 A 72 72 ALA HA H 72 3.910 4.011 -0.101 2
1 858 . 1 1 A 72 72 ALA CA C 72 55.800 55.610 0.190 2
1 859 . 1 1 A 72 72 ALA CB C 72 17.900 18.103 -0.203 2
1 860 . 1 1 A 72 72 ALA N N 72 126.100 122.632 3.468 2
1 861 . 1 1 A 73 73 ASN H H 73 8.180 8.168 0.012 2
1 862 . 1 1 A 73 73 ASN HA H 73 4.410 4.488 -0.078 2
1 867 . 1 1 A 73 73 ASN CA C 73 55.900 56.181 -0.281 2
1 868 . 1 1 A 73 73 ASN CB C 73 37.800 37.979 -0.179 2
1 869 . 1 1 A 73 73 ASN N N 73 116.700 116.810 -0.110 2
1 871 . 1 1 A 74 74 ASP H H 74 8.120 8.002 0.118 2
1 872 . 1 1 A 74 74 ASP HA H 74 4.410 4.423 -0.013 2
1 875 . 1 1 A 74 74 ASP CA C 74 57.500 57.185 0.315 2
1 876 . 1 1 A 74 74 ASP CB C 74 41.400 41.234 0.166 2
1 877 . 1 1 A 74 74 ASP N N 74 120.800 119.832 0.968 2
1 878 . 1 1 A 75 75 THR H H 75 8.360 8.288 0.072 2
1 879 . 1 1 A 75 75 THR HA H 75 3.750 4.117 -0.367 2
1 884 . 1 1 A 75 75 THR CA C 75 68.800 67.099 1.701 2
1 885 . 1 1 A 75 75 THR CB C 75 67.700 68.128 -0.428 2
1 887 . 1 1 A 75 75 THR N N 75 116.300 116.486 -0.186 2
1 888 . 1 1 A 76 76 LEU H H 76 8.160 8.265 -0.105 2
1 889 . 1 1 A 76 76 LEU HA H 76 3.980 4.018 -0.038 2
1 899 . 1 1 A 76 76 LEU CA C 76 58.000 58.168 -0.168 2
1 900 . 1 1 A 76 76 LEU CB C 76 40.500 41.482 -0.982 2
1 904 . 1 1 A 76 76 LEU N N 76 121.000 121.432 -0.432 2
1 905 . 1 1 A 77 77 ARG H H 77 7.810 8.145 -0.335 2
1 906 . 1 1 A 77 77 ARG HA H 77 3.790 3.954 -0.164 2
1 914 . 1 1 A 77 77 ARG CA C 77 60.000 59.512 0.488 2
1 915 . 1 1 A 77 77 ARG CB C 77 29.400 29.784 -0.384 2
1 918 . 1 1 A 77 77 ARG N N 77 118.400 118.773 -0.373 2
1 920 . 1 1 A 78 78 TRP H H 78 7.870 7.982 -0.112 2
1 921 . 1 1 A 78 78 TRP HA H 78 4.490 4.432 0.058 2
1 930 . 1 1 A 78 78 TRP CA C 78 60.200 60.542 -0.342 2
1 931 . 1 1 A 78 78 TRP CB C 78 28.700 29.690 -0.990 2
1 937 . 1 1 A 78 78 TRP N N 78 118.300 121.560 -3.260 2
1 939 . 1 1 A 79 79 LEU H H 79 8.630 8.807 -0.177 2
1 940 . 1 1 A 79 79 LEU HA H 79 3.940 3.700 0.240 2
1 950 . 1 1 A 79 79 LEU CA C 79 58.200 57.984 0.216 2
1 951 . 1 1 A 79 79 LEU CB C 79 42.300 41.522 0.778 2
1 955 . 1 1 A 79 79 LEU N N 79 120.200 119.969 0.232 2
1 956 . 1 1 A 80 80 LYS H H 80 8.710 8.336 0.374 2
1 957 . 1 1 A 80 80 LYS HA H 80 3.880 4.048 -0.168 2
1 966 . 1 1 A 80 80 LYS CA C 80 61.300 59.825 1.475 2
1 967 . 1 1 A 80 80 LYS CB C 80 32.300 32.434 -0.134 2
1 971 . 1 1 A 80 80 LYS N N 80 118.400 119.494 -1.094 2
1 972 . 1 1 A 81 81 ARG H H 81 7.800 7.851 -0.051 2
1 973 . 1 1 A 81 81 ARG HA H 81 4.030 4.053 -0.023 2
1 981 . 1 1 A 81 81 ARG CA C 81 59.700 59.372 0.328 2
1 982 . 1 1 A 81 81 ARG CB C 81 30.400 30.050 0.350 2
1 985 . 1 1 A 81 81 ARG N N 81 117.400 118.864 -1.464 2
1 987 . 1 1 A 82 82 MET H H 82 8.530 7.726 0.803 2
1 988 . 1 1 A 82 82 MET HA H 82 3.000 3.480 -0.480 2
1 996 . 1 1 A 82 82 MET CA C 82 58.900 58.270 0.630 2
1 997 . 1 1 A 82 82 MET CB C 82 32.300 31.321 0.979 2
1 1000 . 1 1 A 82 82 MET N N 82 121.400 118.784 2.616 2
1 1001 . 1 1 A 83 83 PHE H H 83 8.340 8.243 0.097 2
1 1002 . 1 1 A 83 83 PHE HA H 83 4.340 4.268 0.072 2
1 1010 . 1 1 A 83 83 PHE CA C 83 61.900 61.257 0.643 2
1 1011 . 1 1 A 83 83 PHE CB C 83 38.800 38.179 0.620 2
1 1015 . 1 1 A 83 83 PHE N N 83 116.900 117.991 -1.091 2
1 1016 . 1 1 A 84 84 ASN H H 84 8.170 8.396 -0.226 2
1 1017 . 1 1 A 84 84 ASN HA H 84 4.670 4.520 0.150 2
1 1022 . 1 1 A 84 84 ASN CA C 84 55.800 56.281 -0.481 2
1 1023 . 1 1 A 84 84 ASN CB C 84 37.500 38.968 -1.468 2
1 1024 . 1 1 A 84 84 ASN N N 84 120.500 118.509 1.991 2
1 1026 . 1 1 A 85 85 TYR H H 85 7.910 8.240 -0.330 2
1 1027 . 1 1 A 85 85 TYR HA H 85 4.320 4.202 0.118 2
1 1034 . 1 1 A 85 85 TYR CA C 85 61.100 61.824 -0.724 2
1 1035 . 1 1 A 85 85 TYR CB C 85 37.900 38.611 -0.711 2
1 1038 . 1 1 A 85 85 TYR N N 85 124.000 120.727 3.273 2
1 1039 . 1 1 A 86 86 ALA H H 86 7.780 8.047 -0.267 2
1 1040 . 1 1 A 86 86 ALA HA H 86 3.670 4.051 -0.381 2
1 1044 . 1 1 A 86 86 ALA CA C 86 54.800 54.996 -0.196 2
1 1045 . 1 1 A 86 86 ALA CB C 86 18.100 18.340 -0.239 2
1 1046 . 1 1 A 86 86 ALA N N 86 120.500 121.570 -1.070 2
1 1047 . 1 1 A 87 87 ILE H H 87 7.880 7.785 0.095 2
1 1048 . 1 1 A 87 87 ILE HA H 87 4.240 3.959 0.281 2
1 1058 . 1 1 A 87 87 ILE CA C 87 63.900 65.303 -1.403 2
1 1059 . 1 1 A 87 87 ILE CB C 87 37.900 37.674 0.226 2
1 1063 . 1 1 A 87 87 ILE N N 87 120.400 119.050 1.350 2
1 1064 . 1 1 A 88 88 LYS H H 88 7.880 8.237 -0.357 2
1 1065 . 1 1 A 88 88 LYS HA H 88 3.900 3.918 -0.018 2
1 1074 . 1 1 A 88 88 LYS CA C 88 58.900 59.256 -0.356 2
1 1075 . 1 1 A 88 88 LYS CB C 88 31.300 31.901 -0.601 2
1 1079 . 1 1 A 88 88 LYS N N 88 124.300 120.603 3.697 2
1 1080 . 1 1 A 89 89 ARG H H 89 7.350 7.420 -0.070 2
1 1081 . 1 1 A 89 89 ARG HA H 89 4.020 4.232 -0.212 2
1 1088 . 1 1 A 89 89 ARG CA C 89 54.600 55.995 -1.395 2
1 1089 . 1 1 A 89 89 ARG CB C 89 29.100 30.200 -1.100 2
1 1092 . 1 1 A 89 89 ARG N N 89 114.300 117.627 -3.327 2
1 1093 . 1 1 A 90 90 HIS H H 90 8.030 7.976 0.054 2
1 1094 . 1 1 A 90 90 HIS HA H 90 4.330 4.226 0.104 2
1 1098 . 1 1 A 90 90 HIS CA C 90 56.300 56.786 -0.486 2
1 1099 . 1 1 A 90 90 HIS CB C 90 25.200 27.699 -2.499 2
1 1101 . 1 1 A 90 90 HIS N N 90 113.200 115.811 -2.611 2
1 1102 . 1 1 A 91 91 ILE H H 91 8.370 8.189 0.181 2
1 1103 . 1 1 A 91 91 ILE HA H 91 3.830 3.846 -0.016 2
1 1113 . 1 1 A 91 91 ILE CA C 91 63.600 63.409 0.191 2
1 1114 . 1 1 A 91 91 ILE CB C 91 39.300 38.584 0.716 2
1 1118 . 1 1 A 91 91 ILE N N 91 118.400 117.499 0.901 2
1 1119 . 1 1 A 92 92 ILE H H 92 6.860 7.410 -0.549 2
1 1120 . 1 1 A 92 92 ILE HA H 92 4.570 4.651 -0.081 2
1 1130 . 1 1 A 92 92 ILE CA C 92 58.800 58.650 0.150 2
1 1131 . 1 1 A 92 92 ILE CB C 92 42.700 41.114 1.586 2
1 1135 . 1 1 A 92 92 ILE N N 92 108.600 117.117 -8.517 2
1 1136 . 1 1 A 93 93 GLU H H 93 8.690 8.755 -0.066 2
1 1137 . 1 1 A 93 93 GLU HA H 93 4.470 4.450 0.020 2
1 1142 . 1 1 A 93 93 GLU CA C 93 56.400 56.374 0.026 2
1 1143 . 1 1 A 93 93 GLU CB C 93 31.200 30.667 0.533 2
1 1145 . 1 1 A 93 93 GLU N N 93 116.800 122.376 -5.576 2
1 1146 . 1 1 A 94 94 TYR H H 94 7.420 7.719 -0.299 2
1 1147 . 1 1 A 94 94 TYR HA H 94 4.710 4.892 -0.182 2
1 1154 . 1 1 A 94 94 TYR CA C 94 55.800 57.522 -1.722 2
1 1155 . 1 1 A 94 94 TYR CB C 94 40.600 40.956 -0.356 2
1 1158 . 1 1 A 94 94 TYR N N 94 117.900 119.045 -1.145 2
1 1159 . 1 1 A 95 95 ASN H H 95 8.960 8.534 0.426 2
1 1160 . 1 1 A 95 95 ASN HA H 95 4.550 4.882 -0.332 2
1 1165 . 1 1 A 95 95 ASN CA C 95 49.700 51.245 -1.545 2
1 1166 . 1 1 A 95 95 ASN CB C 95 39.200 38.622 0.578 2
1 1167 . 1 1 A 95 95 ASN N N 95 122.500 120.775 1.725 2
1 1169 . 1 1 A 96 96 PRO HA H 96 4.300 4.302 -0.002 2
1 1176 . 1 1 A 96 96 PRO CA C 96 64.000 64.437 -0.437 2
1 1177 . 1 1 A 96 96 PRO CB C 96 31.100 31.592 -0.492 2
1 1180 . 1 1 A 97 97 ALA H H 97 8.090 7.986 0.104 2
1 1181 . 1 1 A 97 97 ALA HA H 97 4.540 4.464 0.076 2
1 1185 . 1 1 A 97 97 ALA CA C 97 51.200 53.750 -2.550 2
1 1186 . 1 1 A 97 97 ALA CB C 97 18.900 18.807 0.093 2
1 1187 . 1 1 A 97 97 ALA N N 97 118.400 119.854 -1.454 2
1 1188 . 1 1 A 98 98 ALA H H 98 7.330 7.773 -0.443 2
1 1189 . 1 1 A 98 98 ALA HA H 98 3.990 4.209 -0.219 2
1 1193 . 1 1 A 98 98 ALA CA C 98 54.700 53.958 0.742 2
1 1194 . 1 1 A 98 98 ALA CB C 98 18.900 18.453 0.447 2
1 1195 . 1 1 A 98 98 ALA N N 98 120.500 120.242 0.258 2
1 1196 . 1 1 A 99 99 ALA H H 99 8.020 7.564 0.456 2
1 1197 . 1 1 A 99 99 ALA HA H 99 4.180 4.128 0.052 2
1 1201 . 1 1 A 99 99 ALA CA C 99 52.500 53.542 -1.042 2
1 1202 . 1 1 A 99 99 ALA CB C 99 18.200 18.865 -0.665 2
1 1203 . 1 1 A 99 99 ALA N N 99 117.400 119.562 -2.162 2
1 1204 . 1 1 A 100 100 PHE H H 100 7.320 7.621 -0.301 2
1 1205 . 1 1 A 100 100 PHE HA H 100 4.360 4.874 -0.514 2
1 1210 . 1 1 A 100 100 PHE CA C 100 57.700 57.260 0.440 2
1 1211 . 1 1 A 100 100 PHE CB C 100 40.500 41.014 -0.514 2
1 1213 . 1 1 A 100 100 PHE N N 100 117.400 116.920 0.480 2
1 1214 . 1 1 A 101 101 ASP H H 101 8.520 8.513 0.007 2
1 1215 . 1 1 A 101 101 ASP HA H 101 4.910 4.985 -0.075 2
1 1218 . 1 1 A 101 101 ASP CA C 101 51.400 51.424 -0.024 2
1 1219 . 1 1 A 101 101 ASP CB C 101 41.400 42.226 -0.826 2
1 1220 . 1 1 A 101 101 ASP N N 101 122.600 123.195 -0.595 2
1 1221 . 1 1 A 102 102 PRO HA H 102 4.350 4.503 -0.153 2
1 1228 . 1 1 A 102 102 PRO CA C 102 63.400 63.840 -0.440 2
1 1229 . 1 1 A 102 102 PRO CB C 102 31.900 32.152 -0.252 2
1 1232 . 1 1 A 103 103 GLY H H 103 8.440 8.315 0.125 2
1 1233 . 1 1 A 103 103 GLY HA2 H 103 3.890 3.964 -0.074 2
1 1234 . 1 1 A 103 103 GLY HA3 H 103 3.860 3.970 -0.110 2
1 1235 . 1 1 A 103 103 GLY CA C 103 45.100 45.987 -0.887 2
1 1236 . 1 1 A 103 103 GLY N N 103 108.300 109.499 -1.199 2
1 1237 . 1 1 A 104 104 ASP H H 104 8.100 8.435 -0.335 2
1 1238 . 1 1 A 104 104 ASP HA H 104 4.620 4.814 -0.194 2
1 1241 . 1 1 A 104 104 ASP CA C 104 53.900 54.001 -0.101 2
1 1242 . 1 1 A 104 104 ASP CB C 104 40.700 41.489 -0.788 2
1 1243 . 1 1 A 104 104 ASP N N 104 120.100 122.349 -2.249 2
1 1244 . 1 1 A 105 105 ALA H H 105 8.360 8.309 0.051 2
1 1245 . 1 1 A 105 105 ALA HA H 105 4.270 4.562 -0.292 2
1 1249 . 1 1 A 105 105 ALA CA C 105 52.900 51.845 1.055 2
1 1250 . 1 1 A 105 105 ALA CB C 105 18.800 20.389 -1.589 2
1 1251 . 1 1 A 105 105 ALA N N 105 124.600 125.662 -1.062 2
1 1252 . 1 1 A 106 106 GLY H H 106 8.470 8.530 -0.059 2
1 1253 . 1 1 A 106 106 GLY HA2 H 106 3.930 4.057 -0.127 2
1 1254 . 1 1 A 106 106 GLY HA3 H 106 3.910 4.061 -0.151 2
1 1255 . 1 1 A 106 106 GLY CA C 106 45.400 45.627 -0.227 2
1 1256 . 1 1 A 106 106 GLY N N 106 107.500 108.515 -1.015 2
1 1257 . 1 1 A 107 107 GLY H H 107 8.170 8.501 -0.331 2
1 1258 . 1 1 A 107 107 GLY HA2 H 107 3.950 4.011 -0.061 2
1 1259 . 1 1 A 107 107 GLY HA3 H 107 3.940 4.014 -0.074 2
1 1260 . 1 1 A 107 107 GLY CA C 107 45.300 45.615 -0.315 2
1 1261 . 1 1 A 107 107 GLY N N 107 108.600 109.937 -1.337 2
1 1262 . 1 1 A 108 108 LYS H H 108 8.160 7.768 0.392 2
1 1263 . 1 1 A 108 108 LYS HA H 108 4.260 4.421 -0.161 2
1 1272 . 1 1 A 108 108 LYS CA C 108 56.500 56.530 -0.030 2
1 1273 . 1 1 A 108 108 LYS CB C 108 32.800 33.094 -0.294 2
1 1277 . 1 1 A 108 108 LYS N N 108 120.500 117.936 2.564 2
1 1278 . 1 1 A 109 109 LEU H H 109 8.220 8.523 -0.303 2
1 1279 . 1 1 A 109 109 LEU HA H 109 4.260 4.702 -0.442 2
1 1289 . 1 1 A 109 109 LEU CA C 109 55.000 54.370 0.630 2
1 1290 . 1 1 A 109 109 LEU CB C 109 41.900 43.963 -2.063 2
1 1294 . 1 1 A 109 109 LEU N N 109 122.200 122.184 0.016 2
1 1295 . 1 1 A 110 110 GLU H H 110 8.160 8.393 -0.233 2
1 1296 . 1 1 A 110 110 GLU HA H 110 4.190 4.581 -0.391 2
1 1301 . 1 1 A 110 110 GLU CA C 110 56.000 56.130 -0.130 2
1 1302 . 1 1 A 110 110 GLU CB C 110 29.900 30.871 -0.971 2
1 1304 . 1 1 A 110 110 GLU N N 110 121.000 120.959 0.041 2
1 1305 . 1 1 A 111 111 HIS H H 111 8.460 8.588 -0.128 2
1 1306 . 1 1 A 111 111 HIS HA H 111 4.630 4.877 -0.247 2
1 1309 . 1 1 A 111 111 HIS CA C 111 54.900 55.606 -0.706 2
1 1310 . 1 1 A 111 111 HIS CB C 111 28.700 31.127 -2.427 2
1 1311 . 1 1 A 111 111 HIS N N 111 118.900 121.610 -2.710 2
1 1312 . 1 1 A 112 112 HIS H H 112 8.540 8.432 0.108 2
1 1313 . 1 1 A 112 112 HIS HA H 112 4.640 4.672 -0.032 2
1 1316 . 1 1 A 112 112 HIS CA C 112 55.100 55.877 -0.777 2
1 1317 . 1 1 A 112 112 HIS CB C 112 28.900 30.971 -2.071 2
1 1318 . 1 1 A 112 112 HIS N N 112 119.100 120.808 -1.708 2
1 1319 . 1 1 A 113 113 HIS H H 113 8.630 8.395 0.235 2
1 1320 . 1 1 A 113 113 HIS HA H 113 4.670 4.770 -0.100 2
1 1323 . 1 1 A 113 113 HIS CA C 113 55.200 55.537 -0.337 2
1 1324 . 1 1 A 113 113 HIS CB C 113 28.900 31.196 -2.296 2
1 1325 . 1 1 A 113 113 HIS N N 113 119.400 120.205 -0.805 2
1 1326 . 1 1 A 114 114 HIS H H 114 8.670 8.391 0.279 2
1 1327 . 1 1 A 114 114 HIS HA H 114 4.670 4.587 0.083 2
1 1330 . 1 1 A 114 114 HIS CA C 114 55.200 56.228 -1.028 2
1 1331 . 1 1 A 114 114 HIS CB C 114 29.100 30.729 -1.629 2
1 1332 . 1 1 A 114 114 HIS N N 114 120.400 120.794 -0.394 2
1 1333 . 1 1 A 115 115 HIS H H 115 8.560 8.338 0.222 2
1 1334 . 1 1 A 115 115 HIS HA H 115 4.660 4.636 0.024 2
1 1337 . 1 1 A 115 115 HIS CA C 115 55.300 55.967 -0.667 2
1 1338 . 1 1 A 115 115 HIS CB C 115 29.300 30.624 -1.324 2
1 1339 . 1 1 A 115 115 HIS N N 115 120.600 120.442 0.158 2
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