data_16338_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16338
_Entry.PDB_ID 2KJR
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 11 11 GLY C C 11 174.100 173.453 0.647 1
1 2 . 1 1 1 A 11 11 GLY CA C 11 45.300 45.358 -0.058 1
1 3 . 1 1 1 A 12 12 LYS H H 12 8.180 8.236 -0.056 1
1 4 . 1 1 1 A 12 12 LYS HA H 12 4.320 4.386 -0.066 1
1 13 . 1 1 1 A 12 12 LYS C C 12 176.700 176.370 0.330 1
1 14 . 1 1 1 A 12 12 LYS CA C 12 56.400 56.645 -0.245 1
1 15 . 1 1 1 A 12 12 LYS CB C 12 33.200 33.383 -0.183 1
1 19 . 1 1 1 A 12 12 LYS N N 12 120.600 125.992 -5.392 1
1 20 . 1 1 1 A 13 13 SER H H 13 8.360 8.852 -0.492 1
1 21 . 1 1 1 A 13 13 SER HA H 13 4.450 5.264 -0.814 1
1 24 . 1 1 1 A 13 13 SER C C 13 173.800 174.382 -0.582 1
1 25 . 1 1 1 A 13 13 SER CA C 13 58.000 57.023 0.977 1
1 26 . 1 1 1 A 13 13 SER CB C 13 63.900 63.423 0.477 1
1 27 . 1 1 1 A 13 13 SER N N 13 116.300 119.845 -3.545 1
1 28 . 1 1 1 A 14 14 ASP H H 14 8.450 7.816 0.634 1
1 29 . 1 1 1 A 14 14 ASP HA H 14 4.670 4.845 -0.175 1
1 32 . 1 1 1 A 14 14 ASP C C 14 175.100 175.033 0.067 1
1 33 . 1 1 1 A 14 14 ASP CA C 14 54.400 53.359 1.041 1
1 34 . 1 1 1 A 14 14 ASP CB C 14 41.500 40.034 1.466 1
1 35 . 1 1 1 A 14 14 ASP N N 14 122.400 121.106 1.294 1
1 36 . 1 1 1 A 15 15 PHE H H 15 8.110 8.520 -0.410 1
1 37 . 1 1 1 A 15 15 PHE HA H 15 5.290 5.214 0.076 1
1 45 . 1 1 1 A 15 15 PHE C C 15 175.000 174.727 0.273 1
1 46 . 1 1 1 A 15 15 PHE CA C 15 56.600 56.539 0.061 1
1 47 . 1 1 1 A 15 15 PHE CB C 15 42.600 43.782 -1.182 1
1 53 . 1 1 1 A 15 15 PHE N N 15 118.500 122.473 -3.973 1
1 54 . 1 1 1 A 16 16 ILE H H 16 9.160 8.620 0.540 1
1 55 . 1 1 1 A 16 16 ILE HA H 16 4.710 5.009 -0.299 1
1 65 . 1 1 1 A 16 16 ILE C C 16 173.400 173.950 -0.550 1
1 66 . 1 1 1 A 16 16 ILE CA C 16 59.300 59.173 0.127 1
1 67 . 1 1 1 A 16 16 ILE CB C 16 42.100 41.820 0.280 1
1 71 . 1 1 1 A 16 16 ILE N N 16 116.700 117.189 -0.489 1
1 72 . 1 1 1 A 17 17 LYS H H 17 8.530 8.990 -0.460 1
1 73 . 1 1 1 A 17 17 LYS HA H 17 5.220 5.043 0.177 1
1 82 . 1 1 1 A 17 17 LYS C C 17 176.400 176.076 0.324 1
1 83 . 1 1 1 A 17 17 LYS CA C 17 54.900 55.371 -0.471 1
1 84 . 1 1 1 A 17 17 LYS CB C 17 34.100 34.157 -0.057 1
1 88 . 1 1 1 A 17 17 LYS N N 17 123.200 123.898 -0.698 1
1 89 . 1 1 1 A 18 18 VAL H H 18 8.900 8.526 0.374 1
1 90 . 1 1 1 A 18 18 VAL HA H 18 4.990 4.985 0.005 1
1 98 . 1 1 1 A 18 18 VAL C C 18 174.300 174.249 0.051 1
1 99 . 1 1 1 A 18 18 VAL CA C 18 58.600 58.719 -0.119 1
1 100 . 1 1 1 A 18 18 VAL CB C 18 35.600 36.050 -0.450 1
1 103 . 1 1 1 A 18 18 VAL N N 18 117.500 120.025 -2.525 1
1 104 . 1 1 1 A 19 19 ASN H H 19 7.830 8.454 -0.624 1
1 105 . 1 1 1 A 19 19 ASN HA H 19 5.780 5.508 0.272 1
1 110 . 1 1 1 A 19 19 ASN C C 19 175.300 174.274 1.026 1
1 111 . 1 1 1 A 19 19 ASN CA C 19 51.000 52.184 -1.184 1
1 112 . 1 1 1 A 19 19 ASN CB C 19 39.500 40.520 -1.020 1
1 114 . 1 1 1 A 19 19 ASN N N 19 117.700 119.228 -1.528 1
1 116 . 1 1 1 A 20 20 VAL H H 20 9.140 8.192 0.948 1
1 117 . 1 1 1 A 20 20 VAL HA H 20 5.480 4.943 0.537 1
1 125 . 1 1 1 A 20 20 VAL C C 20 174.900 174.410 0.490 1
1 126 . 1 1 1 A 20 20 VAL CA C 20 61.100 60.562 0.538 1
1 127 . 1 1 1 A 20 20 VAL CB C 20 35.000 34.344 0.656 1
1 130 . 1 1 1 A 20 20 VAL N N 20 120.600 123.619 -3.019 1
1 131 . 1 1 1 A 21 21 SER H H 21 9.700 8.666 1.034 1
1 132 . 1 1 1 A 21 21 SER HA H 21 4.930 5.222 -0.292 1
1 135 . 1 1 1 A 21 21 SER C C 21 172.900 173.006 -0.106 1
1 136 . 1 1 1 A 21 21 SER CA C 21 57.300 56.510 0.790 1
1 137 . 1 1 1 A 21 21 SER CB C 21 66.900 66.029 0.871 1
1 138 . 1 1 1 A 21 21 SER N N 21 125.600 122.166 3.434 1
1 139 . 1 1 1 A 22 22 ASN H H 22 9.800 8.747 1.053 1
1 140 . 1 1 1 A 22 22 ASN HA H 22 5.240 5.090 0.150 1
1 145 . 1 1 1 A 22 22 ASN C C 22 174.200 175.448 -1.248 1
1 146 . 1 1 1 A 22 22 ASN CA C 22 53.500 51.942 1.558 1
1 147 . 1 1 1 A 22 22 ASN CB C 22 43.000 40.964 2.036 1
1 149 . 1 1 1 A 22 22 ASN N N 22 116.100 123.965 -7.865 1
1 151 . 1 1 1 A 23 23 SER H H 23 8.200 8.488 -0.288 1
1 152 . 1 1 1 A 23 23 SER HA H 23 4.370 4.368 0.002 1
1 155 . 1 1 1 A 23 23 SER CA C 23 59.700 61.037 -1.337 1
1 156 . 1 1 1 A 23 23 SER CB C 23 64.500 63.164 1.336 1
1 157 . 1 1 1 A 23 23 SER N N 23 111.800 118.638 -6.838 1
1 158 . 1 1 1 A 24 24 HIS H H 24 9.070 7.868 1.202 1
1 159 . 1 1 1 A 24 24 HIS HA H 24 4.790 4.664 0.126 1
1 164 . 1 1 1 A 24 24 HIS C C 24 175.100 173.952 1.148 1
1 165 . 1 1 1 A 24 24 HIS CA C 24 57.000 54.599 2.401 1
1 166 . 1 1 1 A 24 24 HIS CB C 24 31.300 27.246 4.054 1
1 169 . 1 1 1 A 24 24 HIS N N 24 121.900 117.493 4.407 1
1 171 . 1 1 1 A 25 25 ASN H H 25 8.420 8.082 0.338 1
1 172 . 1 1 1 A 25 25 ASN HA H 25 4.710 4.878 -0.168 1
1 177 . 1 1 1 A 25 25 ASN C C 25 173.900 174.073 -0.173 1
1 178 . 1 1 1 A 25 25 ASN CA C 25 52.800 53.284 -0.484 1
1 179 . 1 1 1 A 25 25 ASN CB C 25 39.500 42.618 -3.118 1
1 181 . 1 1 1 A 25 25 ASN N N 25 119.300 118.773 0.527 1
1 183 . 1 1 1 A 26 26 ASP H H 26 8.130 9.207 -1.077 1
1 184 . 1 1 1 A 26 26 ASP HA H 26 4.660 4.591 0.069 1
1 187 . 1 1 1 A 26 26 ASP C C 26 176.300 176.145 0.155 1
1 188 . 1 1 1 A 26 26 ASP CA C 26 53.600 54.578 -0.978 1
1 189 . 1 1 1 A 26 26 ASP CB C 26 40.900 40.551 0.349 1
1 190 . 1 1 1 A 26 26 ASP N N 26 115.800 123.184 -7.384 1
1 191 . 1 1 1 A 27 27 ALA H H 27 8.330 8.071 0.259 1
1 192 . 1 1 1 A 27 27 ALA HA H 27 4.210 4.297 -0.087 1
1 196 . 1 1 1 A 27 27 ALA C C 27 178.500 177.049 1.451 1
1 197 . 1 1 1 A 27 27 ALA CA C 27 53.100 51.715 1.385 1
1 198 . 1 1 1 A 27 27 ALA CB C 27 19.200 19.780 -0.580 1
1 199 . 1 1 1 A 27 27 ALA N N 27 124.500 123.503 0.997 1
1 200 . 1 1 1 A 28 28 VAL H H 28 8.310 8.574 -0.264 1
1 201 . 1 1 1 A 28 28 VAL HA H 28 4.360 4.567 -0.207 1
1 209 . 1 1 1 A 28 28 VAL CA C 28 61.000 60.132 0.868 1
1 210 . 1 1 1 A 28 28 VAL CB C 28 35.000 35.530 -0.530 1
1 213 . 1 1 1 A 28 28 VAL N N 28 124.500 122.831 1.669 1
1 214 . 1 1 1 A 29 29 ALA H H 29 8.460 8.249 0.211 1
1 215 . 1 1 1 A 29 29 ALA HA H 29 4.590 5.327 -0.737 1
1 219 . 1 1 1 A 29 29 ALA C C 29 175.800 175.643 0.157 1
1 220 . 1 1 1 A 29 29 ALA CA C 29 50.400 49.671 0.729 1
1 221 . 1 1 1 A 29 29 ALA CB C 29 20.100 21.278 -1.178 1
1 222 . 1 1 1 A 30 30 PHE H H 30 8.640 8.929 -0.289 1
1 223 . 1 1 1 A 30 30 PHE HA H 30 4.870 4.892 -0.022 1
1 231 . 1 1 1 A 30 30 PHE C C 30 175.800 175.458 0.342 1
1 232 . 1 1 1 A 30 30 PHE CA C 30 57.300 56.495 0.805 1
1 233 . 1 1 1 A 30 30 PHE CB C 30 41.600 41.764 -0.164 1
1 239 . 1 1 1 A 30 30 PHE N N 30 122.100 120.428 1.672 1
1 240 . 1 1 1 A 31 31 GLU H H 31 8.670 8.521 0.149 1
1 241 . 1 1 1 A 31 31 GLU HA H 31 3.530 3.863 -0.333 1
1 246 . 1 1 1 A 31 31 GLU C C 31 174.700 174.837 -0.137 1
1 247 . 1 1 1 A 31 31 GLU CA C 31 57.200 57.272 -0.072 1
1 248 . 1 1 1 A 31 31 GLU CB C 31 27.600 27.890 -0.290 1
1 250 . 1 1 1 A 31 31 GLU N N 31 118.900 118.684 0.216 1
1 251 . 1 1 1 A 32 32 VAL H H 32 9.100 7.467 1.633 1
1 252 . 1 1 1 A 32 32 VAL HA H 32 3.770 4.572 -0.802 1
1 260 . 1 1 1 A 32 32 VAL C C 32 175.400 175.270 0.130 1
1 261 . 1 1 1 A 32 32 VAL CA C 32 62.900 60.277 2.623 1
1 262 . 1 1 1 A 32 32 VAL CB C 32 32.200 33.520 -1.320 1
1 265 . 1 1 1 A 32 32 VAL N N 32 122.300 118.058 4.242 1
1 266 . 1 1 1 A 33 33 LYS H H 33 8.330 8.545 -0.215 1
1 267 . 1 1 1 A 33 33 LYS HA H 33 4.980 5.083 -0.103 1
1 276 . 1 1 1 A 33 33 LYS C C 33 176.300 175.709 0.591 1
1 277 . 1 1 1 A 33 33 LYS CA C 33 55.700 55.687 0.013 1
1 278 . 1 1 1 A 33 33 LYS CB C 33 33.500 33.295 0.205 1
1 282 . 1 1 1 A 33 33 LYS N N 33 128.300 126.317 1.983 1
1 283 . 1 1 1 A 34 34 LEU H H 34 9.140 8.523 0.617 1
1 284 . 1 1 1 A 34 34 LEU HA H 34 4.750 5.127 -0.377 1
1 294 . 1 1 1 A 34 34 LEU C C 34 175.000 176.099 -1.099 1
1 295 . 1 1 1 A 34 34 LEU CA C 34 52.900 53.407 -0.507 1
1 296 . 1 1 1 A 34 34 LEU CB C 34 46.700 45.682 1.018 1
1 300 . 1 1 1 A 34 34 LEU N N 34 126.700 124.314 2.386 1
1 301 . 1 1 1 A 35 35 ALA H H 35 8.650 8.952 -0.302 1
1 302 . 1 1 1 A 35 35 ALA HA H 35 4.100 4.016 0.084 1
1 306 . 1 1 1 A 35 35 ALA C C 35 178.000 178.038 -0.038 1
1 307 . 1 1 1 A 35 35 ALA CA C 35 52.300 52.005 0.295 1
1 308 . 1 1 1 A 35 35 ALA CB C 35 19.100 18.918 0.182 1
1 309 . 1 1 1 A 35 35 ALA N N 35 126.600 126.858 -0.258 1
1 310 . 1 1 1 A 36 36 LYS H H 36 8.230 8.751 -0.521 1
1 311 . 1 1 1 A 36 36 LYS HA H 36 3.710 4.130 -0.420 1
1 320 . 1 1 1 A 36 36 LYS C C 36 176.000 177.569 -1.569 1
1 321 . 1 1 1 A 36 36 LYS CA C 36 59.800 58.267 1.533 1
1 322 . 1 1 1 A 36 36 LYS CB C 36 33.200 32.174 1.026 1
1 326 . 1 1 1 A 36 36 LYS N N 36 119.200 125.575 -6.375 1
1 327 . 1 1 1 A 37 37 ASP H H 37 8.060 7.892 0.168 1
1 328 . 1 1 1 A 37 37 ASP HA H 37 4.470 4.646 -0.176 1
1 331 . 1 1 1 A 37 37 ASP C C 37 176.800 176.441 0.359 1
1 332 . 1 1 1 A 37 37 ASP CA C 37 53.000 54.624 -1.624 1
1 333 . 1 1 1 A 37 37 ASP CB C 37 39.700 41.119 -1.419 1
1 334 . 1 1 1 A 37 37 ASP N N 37 112.700 117.632 -4.932 1
1 335 . 1 1 1 A 38 38 LEU H H 38 7.170 6.973 0.197 1
1 336 . 1 1 1 A 38 38 LEU HA H 38 4.280 4.226 0.054 1
1 346 . 1 1 1 A 38 38 LEU C C 38 177.600 177.178 0.422 1
1 347 . 1 1 1 A 38 38 LEU CA C 38 55.800 55.071 0.729 1
1 348 . 1 1 1 A 38 38 LEU CB C 38 43.900 42.718 1.182 1
1 352 . 1 1 1 A 38 38 LEU N N 38 122.100 121.388 0.712 1
1 353 . 1 1 1 A 39 39 THR H H 39 8.430 8.605 -0.175 1
1 354 . 1 1 1 A 39 39 THR HA H 39 5.010 4.747 0.263 1
1 360 . 1 1 1 A 39 39 THR C C 39 176.500 176.172 0.328 1
1 361 . 1 1 1 A 39 39 THR CA C 39 60.900 60.429 0.471 1
1 362 . 1 1 1 A 39 39 THR CB C 39 71.200 71.428 -0.228 1
1 364 . 1 1 1 A 39 39 THR N N 39 112.800 114.884 -2.084 1
1 365 . 1 1 1 A 40 40 VAL H H 40 8.740 8.512 0.228 1
1 366 . 1 1 1 A 40 40 VAL HA H 40 3.530 3.694 -0.164 1
1 374 . 1 1 1 A 40 40 VAL C C 40 178.200 177.383 0.817 1
1 375 . 1 1 1 A 40 40 VAL CA C 40 67.300 66.710 0.590 1
1 376 . 1 1 1 A 40 40 VAL CB C 40 31.600 31.700 -0.100 1
1 379 . 1 1 1 A 40 40 VAL N N 40 123.600 122.322 1.278 1
1 380 . 1 1 1 A 41 41 ALA H H 41 8.520 8.191 0.329 1
1 381 . 1 1 1 A 41 41 ALA HA H 41 3.950 3.904 0.046 1
1 385 . 1 1 1 A 41 41 ALA C C 41 180.700 179.900 0.800 1
1 386 . 1 1 1 A 41 41 ALA CA C 41 56.100 55.606 0.494 1
1 387 . 1 1 1 A 41 41 ALA CB C 41 18.800 18.128 0.672 1
1 388 . 1 1 1 A 41 41 ALA N N 41 121.400 122.213 -0.813 1
1 389 . 1 1 1 A 42 42 GLN H H 42 7.740 7.872 -0.132 1
1 390 . 1 1 1 A 42 42 GLN HA H 42 4.060 4.243 -0.183 1
1 397 . 1 1 1 A 42 42 GLN C C 42 180.300 178.662 1.638 1
1 398 . 1 1 1 A 42 42 GLN CA C 42 58.600 58.836 -0.236 1
1 399 . 1 1 1 A 42 42 GLN CB C 42 29.200 28.636 0.564 1
1 402 . 1 1 1 A 42 42 GLN N N 42 117.500 118.323 -0.823 1
1 404 . 1 1 1 A 43 43 LEU H H 43 9.210 8.070 1.140 1
1 405 . 1 1 1 A 43 43 LEU HA H 43 3.940 4.108 -0.168 1
1 415 . 1 1 1 A 43 43 LEU C C 43 178.300 178.711 -0.411 1
1 416 . 1 1 1 A 43 43 LEU CA C 43 57.900 57.854 0.046 1
1 417 . 1 1 1 A 43 43 LEU CB C 43 41.300 41.645 -0.345 1
1 421 . 1 1 1 A 43 43 LEU N N 43 123.000 121.312 1.688 1
1 422 . 1 1 1 A 44 44 LYS H H 44 8.740 8.183 0.557 1
1 423 . 1 1 1 A 44 44 LYS HA H 44 3.860 3.956 -0.096 1
1 432 . 1 1 1 A 44 44 LYS C C 44 178.300 179.367 -1.067 1
1 433 . 1 1 1 A 44 44 LYS CA C 44 61.100 59.422 1.678 1
1 434 . 1 1 1 A 44 44 LYS CB C 44 32.800 32.277 0.523 1
1 438 . 1 1 1 A 44 44 LYS N N 44 119.300 118.800 0.500 1
1 439 . 1 1 1 A 45 45 THR H H 45 7.440 8.088 -0.648 1
1 440 . 1 1 1 A 45 45 THR HA H 45 3.930 3.964 -0.034 1
1 445 . 1 1 1 A 45 45 THR C C 45 176.700 176.930 -0.230 1
1 446 . 1 1 1 A 45 45 THR CA C 45 67.100 65.754 1.346 1
1 447 . 1 1 1 A 45 45 THR CB C 45 68.800 68.560 0.240 1
1 449 . 1 1 1 A 45 45 THR N N 45 114.000 113.792 0.208 1
1 450 . 1 1 1 A 46 46 LYS H H 46 7.500 7.949 -0.449 1
1 451 . 1 1 1 A 46 46 LYS HA H 46 4.100 4.021 0.079 1
1 460 . 1 1 1 A 46 46 LYS C C 46 179.700 179.550 0.150 1
1 461 . 1 1 1 A 46 46 LYS CA C 46 59.400 59.754 -0.354 1
1 462 . 1 1 1 A 46 46 LYS CB C 46 32.100 32.322 -0.222 1
1 466 . 1 1 1 A 46 46 LYS N N 46 121.700 122.418 -0.718 1
1 467 . 1 1 1 A 47 47 LEU H H 47 9.010 8.577 0.433 1
1 468 . 1 1 1 A 47 47 LEU HA H 47 4.040 3.981 0.059 1
1 478 . 1 1 1 A 47 47 LEU C C 47 180.000 178.768 1.232 1
1 479 . 1 1 1 A 47 47 LEU CA C 47 57.200 57.919 -0.719 1
1 480 . 1 1 1 A 47 47 LEU CB C 47 40.700 41.170 -0.470 1
1 484 . 1 1 1 A 47 47 LEU N N 47 118.000 119.632 -1.632 1
1 485 . 1 1 1 A 48 48 GLU H H 48 8.450 8.818 -0.368 1
1 486 . 1 1 1 A 48 48 GLU HA H 48 4.050 3.987 0.063 1
1 491 . 1 1 1 A 48 48 GLU C C 48 178.800 179.371 -0.571 1
1 492 . 1 1 1 A 48 48 GLU CA C 48 59.700 59.479 0.221 1
1 493 . 1 1 1 A 48 48 GLU CB C 48 29.400 29.351 0.049 1
1 495 . 1 1 1 A 48 48 GLU N N 48 126.300 120.077 6.223 1
1 496 . 1 1 1 A 49 49 ILE H H 49 7.180 7.629 -0.449 1
1 497 . 1 1 1 A 49 49 ILE HA H 49 3.780 3.671 0.109 1
1 507 . 1 1 1 A 49 49 ILE C C 49 178.000 178.197 -0.197 1
1 508 . 1 1 1 A 49 49 ILE CA C 49 64.000 65.548 -1.548 1
1 509 . 1 1 1 A 49 49 ILE CB C 49 38.100 37.684 0.416 1
1 513 . 1 1 1 A 49 49 ILE N N 49 119.600 119.708 -0.108 1
1 514 . 1 1 1 A 50 50 LEU H H 50 7.520 7.918 -0.398 1
1 515 . 1 1 1 A 50 50 LEU HA H 50 4.160 3.941 0.219 1
1 525 . 1 1 1 A 50 50 LEU C C 50 178.400 178.551 -0.151 1
1 526 . 1 1 1 A 50 50 LEU CA C 50 57.500 58.099 -0.599 1
1 527 . 1 1 1 A 50 50 LEU CB C 50 44.300 41.697 2.603 1
1 531 . 1 1 1 A 50 50 LEU N N 50 116.800 121.490 -4.690 1
1 532 . 1 1 1 A 51 51 THR H H 51 8.160 8.448 -0.288 1
1 533 . 1 1 1 A 51 51 THR HA H 51 4.490 4.420 0.070 1
1 538 . 1 1 1 A 51 51 THR C C 51 175.600 176.250 -0.650 1
1 539 . 1 1 1 A 51 51 THR CA C 51 62.400 62.322 0.078 1
1 540 . 1 1 1 A 51 51 THR CB C 51 72.900 70.599 2.301 1
1 542 . 1 1 1 A 51 51 THR N N 51 104.100 107.226 -3.126 1
1 543 . 1 1 1 A 52 52 GLY H H 52 8.080 8.622 -0.542 1
1 544 . 1 1 1 A 52 52 GLY HA2 H 52 3.830 3.953 -0.123 1
1 545 . 1 1 1 A 52 52 GLY HA3 H 52 4.250 3.954 0.296 1
1 546 . 1 1 1 A 52 52 GLY C C 52 174.800 174.826 -0.026 1
1 547 . 1 1 1 A 52 52 GLY CA C 52 45.500 45.684 -0.184 1
1 548 . 1 1 1 A 52 52 GLY N N 52 112.100 112.238 -0.138 1
1 549 . 1 1 1 A 53 53 GLY H H 53 7.880 7.808 0.072 1
1 550 . 1 1 1 A 53 53 GLY HA2 H 53 3.220 4.033 -0.813 1
1 551 . 1 1 1 A 53 53 GLY HA3 H 53 4.040 4.033 0.007 1
1 552 . 1 1 1 A 53 53 GLY C C 53 170.900 173.085 -2.185 1
1 553 . 1 1 1 A 53 53 GLY CA C 53 44.300 44.310 -0.010 1
1 554 . 1 1 1 A 53 53 GLY N N 53 107.000 108.084 -1.084 1
1 555 . 1 1 1 A 54 54 CYS H H 54 8.690 8.662 0.028 1
1 556 . 1 1 1 A 54 54 CYS HA H 54 4.430 4.943 -0.513 1
1 559 . 1 1 1 A 54 54 CYS C C 54 176.100 174.991 1.109 1
1 560 . 1 1 1 A 54 54 CYS CA C 54 57.900 57.716 0.184 1
1 561 . 1 1 1 A 54 54 CYS CB C 54 27.800 29.140 -1.340 1
1 562 . 1 1 1 A 54 54 CYS N N 54 120.200 118.843 1.357 1
1 563 . 1 1 1 A 55 55 ALA H H 55 10.100 8.830 1.270 1
1 564 . 1 1 1 A 55 55 ALA HA H 55 3.890 3.917 -0.027 1
1 568 . 1 1 1 A 55 55 ALA C C 55 178.900 178.706 0.194 1
1 569 . 1 1 1 A 55 55 ALA CA C 55 55.700 55.163 0.537 1
1 570 . 1 1 1 A 55 55 ALA CB C 55 18.500 18.632 -0.132 1
1 571 . 1 1 1 A 55 55 ALA N N 55 133.900 128.257 5.643 1
1 572 . 1 1 1 A 56 56 GLY H H 56 8.380 8.387 -0.007 1
1 573 . 1 1 1 A 56 56 GLY HA2 H 56 3.910 3.928 -0.018 1
1 574 . 1 1 1 A 56 56 GLY HA3 H 56 3.910 3.928 -0.018 1
1 575 . 1 1 1 A 56 56 GLY C C 56 174.600 174.579 0.021 1
1 576 . 1 1 1 A 56 56 GLY CA C 56 45.900 46.113 -0.213 1
1 577 . 1 1 1 A 56 56 GLY N N 56 104.300 105.469 -1.169 1
1 578 . 1 1 1 A 57 57 THR H H 57 7.310 7.711 -0.401 1
1 579 . 1 1 1 A 57 57 THR HA H 57 4.520 4.633 -0.113 1
1 584 . 1 1 1 A 57 57 THR C C 57 175.500 173.998 1.502 1
1 585 . 1 1 1 A 57 57 THR CA C 57 61.400 61.362 0.038 1
1 586 . 1 1 1 A 57 57 THR CB C 57 69.900 70.279 -0.379 1
1 588 . 1 1 1 A 57 57 THR N N 57 107.700 108.915 -1.215 1
1 589 . 1 1 1 A 58 58 MET H H 58 7.910 7.612 0.298 1
1 590 . 1 1 1 A 58 58 MET HA H 58 4.540 4.738 -0.198 1
1 598 . 1 1 1 A 58 58 MET C C 58 175.100 174.963 0.137 1
1 599 . 1 1 1 A 58 58 MET CA C 58 56.900 54.316 2.584 1
1 600 . 1 1 1 A 58 58 MET CB C 58 33.700 34.496 -0.796 1
1 603 . 1 1 1 A 58 58 MET N N 58 120.700 122.894 -2.194 1
1 604 . 1 1 1 A 59 59 LYS H H 59 8.780 8.847 -0.067 1
1 605 . 1 1 1 A 59 59 LYS HA H 59 4.610 4.963 -0.353 1
1 614 . 1 1 1 A 59 59 LYS C C 59 174.500 175.136 -0.636 1
1 615 . 1 1 1 A 59 59 LYS CA C 59 54.500 54.670 -0.170 1
1 616 . 1 1 1 A 59 59 LYS CB C 59 34.700 35.726 -1.026 1
1 620 . 1 1 1 A 59 59 LYS N N 59 122.400 126.042 -3.642 1
1 621 . 1 1 1 A 60 60 VAL H H 60 8.740 8.574 0.166 1
1 622 . 1 1 1 A 60 60 VAL HA H 60 4.700 4.975 -0.275 1
1 630 . 1 1 1 A 60 60 VAL C C 60 175.000 175.004 -0.004 1
1 631 . 1 1 1 A 60 60 VAL CA C 60 61.300 60.806 0.494 1
1 632 . 1 1 1 A 60 60 VAL CB C 60 33.400 34.086 -0.686 1
1 635 . 1 1 1 A 60 60 VAL N N 60 122.100 121.917 0.183 1
1 636 . 1 1 1 A 61 61 GLN H H 61 9.250 8.618 0.632 1
1 637 . 1 1 1 A 61 61 GLN HA H 61 4.790 4.884 -0.094 1
1 644 . 1 1 1 A 61 61 GLN C C 61 174.700 174.583 0.117 1
1 645 . 1 1 1 A 61 61 GLN CA C 61 54.200 53.924 0.276 1
1 646 . 1 1 1 A 61 61 GLN CB C 61 32.800 32.477 0.323 1
1 649 . 1 1 1 A 61 61 GLN N N 61 126.400 125.465 0.935 1
1 651 . 1 1 1 A 62 62 VAL H H 62 8.690 8.263 0.427 1
1 652 . 1 1 1 A 62 62 VAL HA H 62 4.650 4.588 0.062 1
1 660 . 1 1 1 A 62 62 VAL C C 62 174.700 174.900 -0.200 1
1 661 . 1 1 1 A 62 62 VAL CA C 62 61.800 61.423 0.377 1
1 662 . 1 1 1 A 62 62 VAL CB C 62 32.500 32.401 0.099 1
1 665 . 1 1 1 A 62 62 VAL N N 62 121.700 122.502 -0.802 1
1 666 . 1 1 1 A 63 63 PHE H H 63 10.020 9.546 0.474 1
1 667 . 1 1 1 A 63 63 PHE HA H 63 5.170 5.206 -0.036 1
1 675 . 1 1 1 A 63 63 PHE C C 63 175.100 174.654 0.446 1
1 676 . 1 1 1 A 63 63 PHE CA C 63 56.800 55.794 1.006 1
1 677 . 1 1 1 A 63 63 PHE CB C 63 42.900 42.668 0.232 1
1 683 . 1 1 1 A 63 63 PHE N N 63 127.100 125.768 1.332 1
1 684 . 1 1 1 A 64 64 LYS H H 64 8.710 8.485 0.225 1
1 685 . 1 1 1 A 64 64 LYS HA H 64 4.650 4.628 0.022 1
1 694 . 1 1 1 A 64 64 LYS C C 64 176.900 176.576 0.324 1
1 695 . 1 1 1 A 64 64 LYS CA C 64 55.100 54.875 0.225 1
1 696 . 1 1 1 A 64 64 LYS CB C 64 34.100 33.454 0.646 1
1 700 . 1 1 1 A 64 64 LYS N N 64 123.900 124.087 -0.187 1
1 701 . 1 1 1 A 65 65 GLY H H 65 9.160 8.967 0.193 1
1 702 . 1 1 1 A 65 65 GLY HA2 H 65 3.680 3.866 -0.186 1
1 703 . 1 1 1 A 65 65 GLY HA3 H 65 4.050 3.873 0.177 1
1 704 . 1 1 1 A 65 65 GLY C C 65 174.600 174.482 0.118 1
1 705 . 1 1 1 A 65 65 GLY CA C 65 47.200 46.529 0.671 1
1 706 . 1 1 1 A 65 65 GLY N N 65 118.800 115.039 3.761 1
1 707 . 1 1 1 A 66 66 ASP H H 66 8.760 8.742 0.018 1
1 708 . 1 1 1 A 66 66 ASP HA H 66 4.700 4.671 0.029 1
1 711 . 1 1 1 A 66 66 ASP C C 66 176.000 175.191 0.809 1
1 712 . 1 1 1 A 66 66 ASP CA C 66 54.300 53.426 0.874 1
1 713 . 1 1 1 A 66 66 ASP CB C 66 41.300 40.663 0.637 1
1 714 . 1 1 1 A 66 66 ASP N N 66 126.400 125.954 0.446 1
1 715 . 1 1 1 A 67 67 THR H H 67 8.020 7.592 0.428 1
1 716 . 1 1 1 A 67 67 THR HA H 67 4.300 4.967 -0.667 1
1 721 . 1 1 1 A 67 67 THR C C 67 172.100 173.605 -1.505 1
1 722 . 1 1 1 A 67 67 THR CA C 67 62.400 61.358 1.042 1
1 723 . 1 1 1 A 67 67 THR CB C 67 70.700 71.363 -0.663 1
1 725 . 1 1 1 A 67 67 THR N N 67 117.500 114.277 3.223 1
1 726 . 1 1 1 A 68 68 CYS H H 68 8.940 8.877 0.063 1
1 727 . 1 1 1 A 68 68 CYS HA H 68 3.400 4.433 -1.033 1
1 730 . 1 1 1 A 68 68 CYS C C 68 174.900 175.108 -0.208 1
1 731 . 1 1 1 A 68 68 CYS CA C 68 58.700 58.758 -0.058 1
1 732 . 1 1 1 A 68 68 CYS CB C 68 25.600 27.583 -1.983 1
1 733 . 1 1 1 A 68 68 CYS N N 68 129.500 125.009 4.491 1
1 734 . 1 1 1 A 69 69 VAL H H 69 9.090 8.337 0.753 1
1 735 . 1 1 1 A 69 69 VAL HA H 69 4.150 3.936 0.214 1
1 743 . 1 1 1 A 69 69 VAL C C 69 176.300 175.696 0.604 1
1 744 . 1 1 1 A 69 69 VAL CA C 69 62.900 64.131 -1.231 1
1 745 . 1 1 1 A 69 69 VAL CB C 69 32.800 32.427 0.373 1
1 748 . 1 1 1 A 69 69 VAL N N 69 127.500 125.510 1.990 1
1 749 . 1 1 1 A 70 70 SER H H 70 7.640 7.405 0.235 1
1 750 . 1 1 1 A 70 70 SER HA H 70 4.550 4.513 0.037 1
1 753 . 1 1 1 A 70 70 SER C C 70 172.300 171.618 0.682 1
1 754 . 1 1 1 A 70 70 SER CA C 70 58.700 57.173 1.527 1
1 755 . 1 1 1 A 70 70 SER CB C 70 65.100 65.397 -0.297 1
1 756 . 1 1 1 A 70 70 SER N N 70 113.400 111.065 2.335 1
1 757 . 1 1 1 A 71 71 THR H H 71 8.220 8.444 -0.224 1
1 758 . 1 1 1 A 71 71 THR HA H 71 4.580 4.672 -0.092 1
1 763 . 1 1 1 A 71 71 THR C C 71 174.000 174.472 -0.472 1
1 764 . 1 1 1 A 71 71 THR CA C 71 61.800 61.185 0.615 1
1 765 . 1 1 1 A 71 71 THR CB C 71 70.500 70.909 -0.409 1
1 767 . 1 1 1 A 71 71 THR N N 71 114.500 117.631 -3.131 1
1 768 . 1 1 1 A 72 72 MET H H 72 8.260 8.790 -0.530 1
1 769 . 1 1 1 A 72 72 MET HA H 72 2.990 4.001 -1.011 1
1 777 . 1 1 1 A 72 72 MET C C 72 175.700 176.329 -0.629 1
1 778 . 1 1 1 A 72 72 MET CA C 72 55.100 54.065 1.035 1
1 779 . 1 1 1 A 72 72 MET CB C 72 30.200 30.939 -0.739 1
1 782 . 1 1 1 A 72 72 MET N N 72 121.800 125.182 -3.382 1
1 783 . 1 1 1 A 73 73 ASP H H 73 7.830 8.395 -0.565 1
1 784 . 1 1 1 A 73 73 ASP HA H 73 4.370 4.680 -0.310 1
1 787 . 1 1 1 A 73 73 ASP C C 73 175.100 175.517 -0.417 1
1 788 . 1 1 1 A 73 73 ASP CA C 73 55.800 54.581 1.219 1
1 789 . 1 1 1 A 73 73 ASP CB C 73 41.800 42.079 -0.279 1
1 790 . 1 1 1 A 73 73 ASP N N 73 125.100 123.041 2.059 1
1 791 . 1 1 1 A 74 74 ASN H H 74 7.480 7.663 -0.183 1
1 792 . 1 1 1 A 74 74 ASN HA H 74 4.890 4.759 0.131 1
1 797 . 1 1 1 A 74 74 ASN C C 74 175.800 175.618 0.182 1
1 798 . 1 1 1 A 74 74 ASN CA C 74 51.600 52.499 -0.899 1
1 799 . 1 1 1 A 74 74 ASN CB C 74 38.800 39.176 -0.376 1
1 801 . 1 1 1 A 74 74 ASN N N 74 116.400 117.919 -1.519 1
1 803 . 1 1 1 A 75 75 ASN H H 75 8.870 8.992 -0.122 1
1 804 . 1 1 1 A 75 75 ASN HA H 75 4.390 4.428 -0.038 1
1 809 . 1 1 1 A 75 75 ASN C C 75 175.700 176.669 -0.969 1
1 810 . 1 1 1 A 75 75 ASN CA C 75 55.600 56.322 -0.722 1
1 811 . 1 1 1 A 75 75 ASN CB C 75 39.200 38.209 0.991 1
1 813 . 1 1 1 A 75 75 ASN N N 75 123.600 124.380 -0.780 1
1 815 . 1 1 1 A 76 76 ASP H H 76 8.060 7.707 0.353 1
1 816 . 1 1 1 A 76 76 ASP HA H 76 4.750 4.551 0.199 1
1 819 . 1 1 1 A 76 76 ASP C C 76 176.200 176.011 0.189 1
1 820 . 1 1 1 A 76 76 ASP CA C 76 54.200 54.358 -0.158 1
1 821 . 1 1 1 A 76 76 ASP CB C 76 41.700 40.587 1.113 1
1 822 . 1 1 1 A 76 76 ASP N N 76 115.100 117.021 -1.921 1
1 823 . 1 1 1 A 77 77 ALA H H 77 7.140 7.108 0.032 1
1 824 . 1 1 1 A 77 77 ALA HA H 77 4.160 4.384 -0.224 1
1 828 . 1 1 1 A 77 77 ALA C C 77 176.100 177.093 -0.993 1
1 829 . 1 1 1 A 77 77 ALA CA C 77 51.400 50.478 0.922 1
1 830 . 1 1 1 A 77 77 ALA CB C 77 20.100 21.465 -1.365 1
1 831 . 1 1 1 A 77 77 ALA N N 77 122.600 122.336 0.264 1
1 832 . 1 1 1 A 78 78 GLN H H 78 8.090 8.985 -0.895 1
1 833 . 1 1 1 A 78 78 GLN HA H 78 4.750 4.487 0.263 1
1 840 . 1 1 1 A 78 78 GLN C C 78 177.900 177.679 0.221 1
1 841 . 1 1 1 A 78 78 GLN CA C 78 55.200 55.123 0.077 1
1 842 . 1 1 1 A 78 78 GLN CB C 78 29.500 29.486 0.014 1
1 845 . 1 1 1 A 78 78 GLN N N 78 116.500 120.299 -3.799 1
1 847 . 1 1 1 A 79 79 LEU H H 79 9.380 9.318 0.062 1
1 848 . 1 1 1 A 79 79 LEU HA H 79 4.060 4.171 -0.111 1
1 858 . 1 1 1 A 79 79 LEU C C 79 179.200 179.038 0.162 1
1 859 . 1 1 1 A 79 79 LEU CA C 79 58.900 58.032 0.868 1
1 860 . 1 1 1 A 79 79 LEU CB C 79 42.000 41.609 0.391 1
1 864 . 1 1 1 A 79 79 LEU N N 79 123.800 126.091 -2.291 1
1 865 . 1 1 1 A 80 80 GLY H H 80 9.130 7.928 1.202 1
1 866 . 1 1 1 A 80 80 GLY HA2 H 80 3.750 3.904 -0.154 1
1 867 . 1 1 1 A 80 80 GLY HA3 H 80 4.160 3.926 0.234 1
1 868 . 1 1 1 A 80 80 GLY C C 80 174.100 175.170 -1.070 1
1 869 . 1 1 1 A 80 80 GLY CA C 80 45.600 46.195 -0.595 1
1 870 . 1 1 1 A 80 80 GLY N N 80 104.000 106.216 -2.216 1
1 871 . 1 1 1 A 81 81 TYR H H 81 7.900 8.022 -0.122 1
1 872 . 1 1 1 A 81 81 TYR HA H 81 4.000 3.935 0.065 1
1 879 . 1 1 1 A 81 81 TYR C C 81 176.300 176.721 -0.421 1
1 880 . 1 1 1 A 81 81 TYR CA C 81 60.600 60.750 -0.150 1
1 881 . 1 1 1 A 81 81 TYR CB C 81 38.700 38.157 0.543 1
1 886 . 1 1 1 A 81 81 TYR N N 81 120.300 122.714 -2.414 1
1 887 . 1 1 1 A 82 82 TYR H H 82 7.430 7.772 -0.342 1
1 888 . 1 1 1 A 82 82 TYR HA H 82 4.340 4.649 -0.309 1
1 895 . 1 1 1 A 82 82 TYR C C 82 175.500 176.694 -1.194 1
1 896 . 1 1 1 A 82 82 TYR CA C 82 58.700 59.026 -0.326 1
1 897 . 1 1 1 A 82 82 TYR CB C 82 41.500 40.403 1.097 1
1 902 . 1 1 1 A 82 82 TYR N N 82 114.000 114.667 -0.667 1
1 903 . 1 1 1 A 83 83 ALA H H 83 8.430 7.492 0.938 1
1 904 . 1 1 1 A 83 83 ALA HA H 83 4.380 4.535 -0.155 1
1 908 . 1 1 1 A 83 83 ALA C C 83 173.400 177.402 -4.002 1
1 909 . 1 1 1 A 83 83 ALA CA C 83 51.000 50.869 0.131 1
1 910 . 1 1 1 A 83 83 ALA CB C 83 19.500 17.903 1.597 1
1 911 . 1 1 1 A 83 83 ALA N N 83 122.900 120.889 2.011 1
1 912 . 1 1 1 A 84 84 ASN H H 84 8.050 8.773 -0.723 1
1 913 . 1 1 1 A 84 84 ASN HA H 84 4.760 4.869 -0.109 1
1 918 . 1 1 1 A 84 84 ASN C C 84 174.600 174.851 -0.251 1
1 919 . 1 1 1 A 84 84 ASN CA C 84 52.200 52.555 -0.355 1
1 920 . 1 1 1 A 84 84 ASN CB C 84 39.300 39.195 0.105 1
1 922 . 1 1 1 A 84 84 ASN N N 84 117.300 119.756 -2.456 1
1 924 . 1 1 1 A 85 85 SER H H 85 7.180 7.508 -0.328 1
1 925 . 1 1 1 A 85 85 SER HA H 85 4.670 4.850 -0.180 1
1 928 . 1 1 1 A 85 85 SER C C 85 172.000 172.357 -0.357 1
1 929 . 1 1 1 A 85 85 SER CA C 85 56.900 56.569 0.331 1
1 930 . 1 1 1 A 85 85 SER CB C 85 66.000 65.806 0.194 1
1 931 . 1 1 1 A 85 85 SER N N 85 112.200 113.921 -1.721 1
1 932 . 1 1 1 A 86 86 ASP H H 86 8.320 8.820 -0.500 1
1 933 . 1 1 1 A 86 86 ASP HA H 86 4.920 4.832 0.088 1
1 936 . 1 1 1 A 86 86 ASP C C 86 178.100 176.551 1.549 1
1 937 . 1 1 1 A 86 86 ASP CA C 86 55.000 53.383 1.617 1
1 938 . 1 1 1 A 86 86 ASP CB C 86 42.000 41.763 0.237 1
1 939 . 1 1 1 A 86 86 ASP N N 86 119.100 124.570 -5.470 1
1 940 . 1 1 1 A 87 87 GLY H H 87 8.910 8.675 0.235 1
1 941 . 1 1 1 A 87 87 GLY HA2 H 87 3.850 3.998 -0.148 1
1 942 . 1 1 1 A 87 87 GLY HA3 H 87 4.110 4.005 0.105 1
1 943 . 1 1 1 A 87 87 GLY C C 87 175.400 174.408 0.992 1
1 944 . 1 1 1 A 87 87 GLY CA C 87 46.100 45.398 0.702 1
1 945 . 1 1 1 A 87 87 GLY N N 87 107.900 110.200 -2.300 1
1 946 . 1 1 1 A 88 88 LEU H H 88 8.290 7.828 0.462 1
1 947 . 1 1 1 A 88 88 LEU HA H 88 4.740 4.504 0.236 1
1 957 . 1 1 1 A 88 88 LEU C C 88 175.000 176.213 -1.213 1
1 958 . 1 1 1 A 88 88 LEU CA C 88 54.500 54.667 -0.167 1
1 959 . 1 1 1 A 88 88 LEU CB C 88 43.200 42.644 0.556 1
1 963 . 1 1 1 A 88 88 LEU N N 88 120.300 123.143 -2.843 1
1 964 . 1 1 1 A 89 89 ARG H H 89 8.880 8.599 0.281 1
1 965 . 1 1 1 A 89 89 ARG HA H 89 5.300 5.072 0.228 1
1 973 . 1 1 1 A 89 89 ARG C C 89 174.900 174.540 0.360 1
1 974 . 1 1 1 A 89 89 ARG CA C 89 53.600 54.674 -1.074 1
1 975 . 1 1 1 A 89 89 ARG CB C 89 34.300 33.626 0.674 1
1 979 . 1 1 1 A 89 89 ARG N N 89 121.200 123.051 -1.851 1
1 981 . 1 1 1 A 90 90 LEU H H 90 9.250 9.172 0.078 1
1 982 . 1 1 1 A 90 90 LEU HA H 90 5.270 5.205 0.065 1
1 992 . 1 1 1 A 90 90 LEU C C 90 173.700 174.953 -1.253 1
1 993 . 1 1 1 A 90 90 LEU CA C 90 52.900 53.390 -0.490 1
1 994 . 1 1 1 A 90 90 LEU CB C 90 42.000 43.762 -1.762 1
1 998 . 1 1 1 A 90 90 LEU N N 90 125.500 128.677 -3.177 1
1 999 . 1 1 1 A 91 91 HIS H H 91 9.600 8.935 0.665 1
1 1000 . 1 1 1 A 91 91 HIS HA H 91 5.280 5.545 -0.265 1
1 1005 . 1 1 1 A 91 91 HIS C C 91 174.300 173.361 0.939 1
1 1006 . 1 1 1 A 91 91 HIS CA C 91 54.500 53.326 1.174 1
1 1007 . 1 1 1 A 91 91 HIS CB C 91 35.200 32.493 2.707 1
1 1010 . 1 1 1 A 91 91 HIS N N 91 124.800 124.857 -0.057 1
1 1013 . 1 1 1 A 92 92 VAL H H 92 8.300 8.481 -0.181 1
1 1014 . 1 1 1 A 92 92 VAL HA H 92 4.110 4.288 -0.178 1
1 1022 . 1 1 1 A 92 92 VAL C C 92 174.200 175.270 -1.070 1
1 1023 . 1 1 1 A 92 92 VAL CA C 92 62.900 62.196 0.704 1
1 1024 . 1 1 1 A 92 92 VAL CB C 92 32.600 32.065 0.535 1
1 1027 . 1 1 1 A 92 92 VAL N N 92 128.400 127.519 0.881 1
1 1028 . 1 1 1 A 93 93 VAL H H 93 8.950 9.248 -0.298 1
1 1029 . 1 1 1 A 93 93 VAL HA H 93 4.170 4.532 -0.362 1
1 1037 . 1 1 1 A 93 93 VAL C C 93 175.600 173.714 1.886 1
1 1038 . 1 1 1 A 93 93 VAL CA C 93 61.100 61.316 -0.216 1
1 1039 . 1 1 1 A 93 93 VAL CB C 93 33.300 32.855 0.445 1
1 1042 . 1 1 1 A 93 93 VAL N N 93 127.800 128.648 -0.848 1
1 1043 . 1 1 1 A 94 94 ASP H H 94 8.280 9.207 -0.927 1
1 1044 . 1 1 1 A 94 94 ASP HA H 94 4.850 4.927 -0.077 1
1 1047 . 1 1 1 A 94 94 ASP C C 94 174.700 174.874 -0.174 1
1 1048 . 1 1 1 A 94 94 ASP CA C 94 53.800 53.060 0.740 1
1 1049 . 1 1 1 A 94 94 ASP CB C 94 42.500 41.764 0.736 1
1 1050 . 1 1 1 A 94 94 ASP N N 94 127.100 129.515 -2.415 1
1 1 . 2 1 1 A 11 11 GLY C C 11 174.100 172.745 1.355 1
1 2 . 2 1 1 A 11 11 GLY CA C 11 45.300 44.839 0.461 1
1 3 . 2 1 1 A 12 12 LYS H H 12 8.180 8.247 -0.067 1
1 4 . 2 1 1 A 12 12 LYS HA H 12 4.320 4.383 -0.063 1
1 13 . 2 1 1 A 12 12 LYS C C 12 176.700 176.450 0.250 1
1 14 . 2 1 1 A 12 12 LYS CA C 12 56.400 56.378 0.022 1
1 15 . 2 1 1 A 12 12 LYS CB C 12 33.200 32.854 0.346 1
1 19 . 2 1 1 A 12 12 LYS N N 12 120.600 121.560 -0.960 1
1 20 . 2 1 1 A 13 13 SER H H 13 8.360 8.671 -0.311 1
1 21 . 2 1 1 A 13 13 SER HA H 13 4.450 4.666 -0.216 1
1 24 . 2 1 1 A 13 13 SER C C 13 173.800 174.575 -0.775 1
1 25 . 2 1 1 A 13 13 SER CA C 13 58.000 58.856 -0.856 1
1 26 . 2 1 1 A 13 13 SER CB C 13 63.900 63.901 -0.001 1
1 27 . 2 1 1 A 13 13 SER N N 13 116.300 119.009 -2.709 1
1 28 . 2 1 1 A 14 14 ASP H H 14 8.450 8.801 -0.351 1
1 29 . 2 1 1 A 14 14 ASP HA H 14 4.670 4.925 -0.255 1
1 32 . 2 1 1 A 14 14 ASP C C 14 175.100 174.475 0.625 1
1 33 . 2 1 1 A 14 14 ASP CA C 14 54.400 53.494 0.906 1
1 34 . 2 1 1 A 14 14 ASP CB C 14 41.500 41.292 0.208 1
1 35 . 2 1 1 A 14 14 ASP N N 14 122.400 125.272 -2.872 1
1 36 . 2 1 1 A 15 15 PHE H H 15 8.110 7.238 0.872 1
1 37 . 2 1 1 A 15 15 PHE HA H 15 5.290 5.175 0.115 1
1 45 . 2 1 1 A 15 15 PHE C C 15 175.000 175.210 -0.210 1
1 46 . 2 1 1 A 15 15 PHE CA C 15 56.600 56.465 0.135 1
1 47 . 2 1 1 A 15 15 PHE CB C 15 42.600 41.835 0.765 1
1 53 . 2 1 1 A 15 15 PHE N N 15 118.500 118.756 -0.256 1
1 54 . 2 1 1 A 16 16 ILE H H 16 9.160 8.887 0.273 1
1 55 . 2 1 1 A 16 16 ILE HA H 16 4.710 5.249 -0.539 1
1 65 . 2 1 1 A 16 16 ILE C C 16 173.400 174.720 -1.320 1
1 66 . 2 1 1 A 16 16 ILE CA C 16 59.300 59.229 0.071 1
1 67 . 2 1 1 A 16 16 ILE CB C 16 42.100 41.877 0.223 1
1 71 . 2 1 1 A 16 16 ILE N N 16 116.700 116.789 -0.089 1
1 72 . 2 1 1 A 17 17 LYS H H 17 8.530 8.790 -0.260 1
1 73 . 2 1 1 A 17 17 LYS HA H 17 5.220 5.133 0.087 1
1 82 . 2 1 1 A 17 17 LYS C C 17 176.400 175.721 0.679 1
1 83 . 2 1 1 A 17 17 LYS CA C 17 54.900 55.492 -0.592 1
1 84 . 2 1 1 A 17 17 LYS CB C 17 34.100 33.500 0.600 1
1 88 . 2 1 1 A 17 17 LYS N N 17 123.200 123.543 -0.343 1
1 89 . 2 1 1 A 18 18 VAL H H 18 8.900 8.623 0.277 1
1 90 . 2 1 1 A 18 18 VAL HA H 18 4.990 4.914 0.076 1
1 98 . 2 1 1 A 18 18 VAL C C 18 174.300 174.217 0.083 1
1 99 . 2 1 1 A 18 18 VAL CA C 18 58.600 58.890 -0.290 1
1 100 . 2 1 1 A 18 18 VAL CB C 18 35.600 36.313 -0.713 1
1 103 . 2 1 1 A 18 18 VAL N N 18 117.500 118.825 -1.325 1
1 104 . 2 1 1 A 19 19 ASN H H 19 7.830 8.677 -0.847 1
1 105 . 2 1 1 A 19 19 ASN HA H 19 5.780 5.299 0.481 1
1 110 . 2 1 1 A 19 19 ASN C C 19 175.300 174.485 0.815 1
1 111 . 2 1 1 A 19 19 ASN CA C 19 51.000 52.234 -1.234 1
1 112 . 2 1 1 A 19 19 ASN CB C 19 39.500 40.601 -1.101 1
1 114 . 2 1 1 A 19 19 ASN N N 19 117.700 118.843 -1.143 1
1 116 . 2 1 1 A 20 20 VAL H H 20 9.140 8.162 0.978 1
1 117 . 2 1 1 A 20 20 VAL HA H 20 5.480 4.887 0.593 1
1 125 . 2 1 1 A 20 20 VAL C C 20 174.900 175.157 -0.257 1
1 126 . 2 1 1 A 20 20 VAL CA C 20 61.100 60.572 0.528 1
1 127 . 2 1 1 A 20 20 VAL CB C 20 35.000 34.679 0.321 1
1 130 . 2 1 1 A 20 20 VAL N N 20 120.600 123.399 -2.799 1
1 131 . 2 1 1 A 21 21 SER H H 21 9.700 9.065 0.635 1
1 132 . 2 1 1 A 21 21 SER HA H 21 4.930 5.179 -0.249 1
1 135 . 2 1 1 A 21 21 SER C C 21 172.900 173.289 -0.389 1
1 136 . 2 1 1 A 21 21 SER CA C 21 57.300 56.270 1.030 1
1 137 . 2 1 1 A 21 21 SER CB C 21 66.900 66.751 0.149 1
1 138 . 2 1 1 A 21 21 SER N N 21 125.600 120.333 5.267 1
1 139 . 2 1 1 A 22 22 ASN H H 22 9.800 9.025 0.775 1
1 140 . 2 1 1 A 22 22 ASN HA H 22 5.240 5.376 -0.136 1
1 145 . 2 1 1 A 22 22 ASN C C 22 174.200 174.082 0.118 1
1 146 . 2 1 1 A 22 22 ASN CA C 22 53.500 51.332 2.168 1
1 147 . 2 1 1 A 22 22 ASN CB C 22 43.000 42.500 0.500 1
1 149 . 2 1 1 A 22 22 ASN N N 22 116.100 118.245 -2.145 1
1 151 . 2 1 1 A 23 23 SER H H 23 8.200 8.363 -0.163 1
1 152 . 2 1 1 A 23 23 SER HA H 23 4.370 4.593 -0.223 1
1 155 . 2 1 1 A 23 23 SER CA C 23 59.700 57.446 2.254 1
1 156 . 2 1 1 A 23 23 SER CB C 23 64.500 64.623 -0.123 1
1 157 . 2 1 1 A 23 23 SER N N 23 111.800 114.077 -2.277 1
1 158 . 2 1 1 A 24 24 HIS H H 24 9.070 8.330 0.740 1
1 159 . 2 1 1 A 24 24 HIS HA H 24 4.790 4.140 0.650 1
1 164 . 2 1 1 A 24 24 HIS C C 24 175.100 174.972 0.128 1
1 165 . 2 1 1 A 24 24 HIS CA C 24 57.000 56.418 0.582 1
1 166 . 2 1 1 A 24 24 HIS CB C 24 31.300 27.265 4.035 1
1 169 . 2 1 1 A 24 24 HIS N N 24 121.900 115.980 5.920 1
1 171 . 2 1 1 A 25 25 ASN H H 25 8.420 8.535 -0.115 1
1 172 . 2 1 1 A 25 25 ASN HA H 25 4.710 4.815 -0.105 1
1 177 . 2 1 1 A 25 25 ASN C C 25 173.900 175.517 -1.617 1
1 178 . 2 1 1 A 25 25 ASN CA C 25 52.800 53.096 -0.296 1
1 179 . 2 1 1 A 25 25 ASN CB C 25 39.500 41.211 -1.711 1
1 181 . 2 1 1 A 25 25 ASN N N 25 119.300 115.285 4.015 1
1 183 . 2 1 1 A 26 26 ASP H H 26 8.130 8.278 -0.148 1
1 184 . 2 1 1 A 26 26 ASP HA H 26 4.660 4.237 0.423 1
1 187 . 2 1 1 A 26 26 ASP C C 26 176.300 174.981 1.319 1
1 188 . 2 1 1 A 26 26 ASP CA C 26 53.600 55.635 -2.035 1
1 189 . 2 1 1 A 26 26 ASP CB C 26 40.900 40.523 0.377 1
1 190 . 2 1 1 A 26 26 ASP N N 26 115.800 118.852 -3.052 1
1 191 . 2 1 1 A 27 27 ALA H H 27 8.330 7.788 0.542 1
1 192 . 2 1 1 A 27 27 ALA HA H 27 4.210 4.481 -0.271 1
1 196 . 2 1 1 A 27 27 ALA C C 27 178.500 176.858 1.642 1
1 197 . 2 1 1 A 27 27 ALA CA C 27 53.100 51.301 1.799 1
1 198 . 2 1 1 A 27 27 ALA CB C 27 19.200 19.929 -0.729 1
1 199 . 2 1 1 A 27 27 ALA N N 27 124.500 122.659 1.841 1
1 200 . 2 1 1 A 28 28 VAL H H 28 8.310 8.650 -0.340 1
1 201 . 2 1 1 A 28 28 VAL HA H 28 4.360 4.623 -0.263 1
1 209 . 2 1 1 A 28 28 VAL CA C 28 61.000 60.280 0.720 1
1 210 . 2 1 1 A 28 28 VAL CB C 28 35.000 34.573 0.427 1
1 213 . 2 1 1 A 28 28 VAL N N 28 124.500 123.874 0.626 1
1 214 . 2 1 1 A 29 29 ALA H H 29 8.460 8.620 -0.160 1
1 215 . 2 1 1 A 29 29 ALA HA H 29 4.590 5.334 -0.744 1
1 219 . 2 1 1 A 29 29 ALA C C 29 175.800 175.991 -0.191 1
1 220 . 2 1 1 A 29 29 ALA CA C 29 50.400 49.694 0.706 1
1 221 . 2 1 1 A 29 29 ALA CB C 29 20.100 21.804 -1.704 1
1 222 . 2 1 1 A 30 30 PHE H H 30 8.640 8.742 -0.102 1
1 223 . 2 1 1 A 30 30 PHE HA H 30 4.870 4.927 -0.057 1
1 231 . 2 1 1 A 30 30 PHE C C 30 175.800 175.596 0.204 1
1 232 . 2 1 1 A 30 30 PHE CA C 30 57.300 56.469 0.831 1
1 233 . 2 1 1 A 30 30 PHE CB C 30 41.600 41.733 -0.133 1
1 239 . 2 1 1 A 30 30 PHE N N 30 122.100 118.839 3.261 1
1 240 . 2 1 1 A 31 31 GLU H H 31 8.670 9.056 -0.386 1
1 241 . 2 1 1 A 31 31 GLU HA H 31 3.530 3.845 -0.315 1
1 246 . 2 1 1 A 31 31 GLU C C 31 174.700 175.129 -0.429 1
1 247 . 2 1 1 A 31 31 GLU CA C 31 57.200 57.299 -0.099 1
1 248 . 2 1 1 A 31 31 GLU CB C 31 27.600 28.261 -0.661 1
1 250 . 2 1 1 A 31 31 GLU N N 31 118.900 119.532 -0.632 1
1 251 . 2 1 1 A 32 32 VAL H H 32 9.100 8.406 0.694 1
1 252 . 2 1 1 A 32 32 VAL HA H 32 3.770 4.591 -0.821 1
1 260 . 2 1 1 A 32 32 VAL C C 32 175.400 175.222 0.178 1
1 261 . 2 1 1 A 32 32 VAL CA C 32 62.900 60.988 1.912 1
1 262 . 2 1 1 A 32 32 VAL CB C 32 32.200 33.041 -0.841 1
1 265 . 2 1 1 A 32 32 VAL N N 32 122.300 116.354 5.946 1
1 266 . 2 1 1 A 33 33 LYS H H 33 8.330 8.449 -0.119 1
1 267 . 2 1 1 A 33 33 LYS HA H 33 4.980 4.794 0.186 1
1 276 . 2 1 1 A 33 33 LYS C C 33 176.300 176.103 0.197 1
1 277 . 2 1 1 A 33 33 LYS CA C 33 55.700 56.056 -0.356 1
1 278 . 2 1 1 A 33 33 LYS CB C 33 33.500 32.713 0.787 1
1 282 . 2 1 1 A 33 33 LYS N N 33 128.300 125.826 2.474 1
1 283 . 2 1 1 A 34 34 LEU H H 34 9.140 8.673 0.467 1
1 284 . 2 1 1 A 34 34 LEU HA H 34 4.750 5.120 -0.370 1
1 294 . 2 1 1 A 34 34 LEU C C 34 175.000 176.193 -1.193 1
1 295 . 2 1 1 A 34 34 LEU CA C 34 52.900 53.653 -0.753 1
1 296 . 2 1 1 A 34 34 LEU CB C 34 46.700 45.884 0.816 1
1 300 . 2 1 1 A 34 34 LEU N N 34 126.700 125.637 1.063 1
1 301 . 2 1 1 A 35 35 ALA H H 35 8.650 8.983 -0.333 1
1 302 . 2 1 1 A 35 35 ALA HA H 35 4.100 4.284 -0.184 1
1 306 . 2 1 1 A 35 35 ALA C C 35 178.000 178.921 -0.921 1
1 307 . 2 1 1 A 35 35 ALA CA C 35 52.300 52.468 -0.168 1
1 308 . 2 1 1 A 35 35 ALA CB C 35 19.100 18.847 0.253 1
1 309 . 2 1 1 A 35 35 ALA N N 35 126.600 126.305 0.295 1
1 310 . 2 1 1 A 36 36 LYS H H 36 8.230 8.270 -0.040 1
1 311 . 2 1 1 A 36 36 LYS HA H 36 3.710 4.069 -0.359 1
1 320 . 2 1 1 A 36 36 LYS C C 36 176.000 176.532 -0.532 1
1 321 . 2 1 1 A 36 36 LYS CA C 36 59.800 58.343 1.457 1
1 322 . 2 1 1 A 36 36 LYS CB C 36 33.200 31.843 1.357 1
1 326 . 2 1 1 A 36 36 LYS N N 36 119.200 122.179 -2.979 1
1 327 . 2 1 1 A 37 37 ASP H H 37 8.060 8.070 -0.010 1
1 328 . 2 1 1 A 37 37 ASP HA H 37 4.470 4.558 -0.088 1
1 331 . 2 1 1 A 37 37 ASP C C 37 176.800 176.522 0.278 1
1 332 . 2 1 1 A 37 37 ASP CA C 37 53.000 54.079 -1.079 1
1 333 . 2 1 1 A 37 37 ASP CB C 37 39.700 39.841 -0.141 1
1 334 . 2 1 1 A 37 37 ASP N N 37 112.700 117.612 -4.912 1
1 335 . 2 1 1 A 38 38 LEU H H 38 7.170 6.943 0.227 1
1 336 . 2 1 1 A 38 38 LEU HA H 38 4.280 4.224 0.056 1
1 346 . 2 1 1 A 38 38 LEU C C 38 177.600 177.174 0.426 1
1 347 . 2 1 1 A 38 38 LEU CA C 38 55.800 54.864 0.936 1
1 348 . 2 1 1 A 38 38 LEU CB C 38 43.900 42.699 1.201 1
1 352 . 2 1 1 A 38 38 LEU N N 38 122.100 122.530 -0.430 1
1 353 . 2 1 1 A 39 39 THR H H 39 8.430 8.637 -0.207 1
1 354 . 2 1 1 A 39 39 THR HA H 39 5.010 4.807 0.203 1
1 360 . 2 1 1 A 39 39 THR C C 39 176.500 176.267 0.233 1
1 361 . 2 1 1 A 39 39 THR CA C 39 60.900 60.500 0.400 1
1 362 . 2 1 1 A 39 39 THR CB C 39 71.200 71.297 -0.097 1
1 364 . 2 1 1 A 39 39 THR N N 39 112.800 114.765 -1.965 1
1 365 . 2 1 1 A 40 40 VAL H H 40 8.740 8.504 0.236 1
1 366 . 2 1 1 A 40 40 VAL HA H 40 3.530 3.684 -0.154 1
1 374 . 2 1 1 A 40 40 VAL C C 40 178.200 177.305 0.895 1
1 375 . 2 1 1 A 40 40 VAL CA C 40 67.300 66.699 0.601 1
1 376 . 2 1 1 A 40 40 VAL CB C 40 31.600 31.712 -0.112 1
1 379 . 2 1 1 A 40 40 VAL N N 40 123.600 122.289 1.311 1
1 380 . 2 1 1 A 41 41 ALA H H 41 8.520 8.194 0.326 1
1 381 . 2 1 1 A 41 41 ALA HA H 41 3.950 3.927 0.023 1
1 385 . 2 1 1 A 41 41 ALA C C 41 180.700 179.787 0.913 1
1 386 . 2 1 1 A 41 41 ALA CA C 41 56.100 55.876 0.224 1
1 387 . 2 1 1 A 41 41 ALA CB C 41 18.800 18.465 0.335 1
1 388 . 2 1 1 A 41 41 ALA N N 41 121.400 122.288 -0.888 1
1 389 . 2 1 1 A 42 42 GLN H H 42 7.740 7.580 0.160 1
1 390 . 2 1 1 A 42 42 GLN HA H 42 4.060 4.029 0.031 1
1 397 . 2 1 1 A 42 42 GLN C C 42 180.300 178.572 1.728 1
1 398 . 2 1 1 A 42 42 GLN CA C 42 58.600 58.782 -0.182 1
1 399 . 2 1 1 A 42 42 GLN CB C 42 29.200 28.220 0.980 1
1 402 . 2 1 1 A 42 42 GLN N N 42 117.500 118.205 -0.705 1
1 404 . 2 1 1 A 43 43 LEU H H 43 9.210 7.964 1.246 1
1 405 . 2 1 1 A 43 43 LEU HA H 43 3.940 4.136 -0.196 1
1 415 . 2 1 1 A 43 43 LEU C C 43 178.300 178.282 0.018 1
1 416 . 2 1 1 A 43 43 LEU CA C 43 57.900 57.734 0.166 1
1 417 . 2 1 1 A 43 43 LEU CB C 43 41.300 41.543 -0.243 1
1 421 . 2 1 1 A 43 43 LEU N N 43 123.000 121.376 1.624 1
1 422 . 2 1 1 A 44 44 LYS H H 44 8.740 8.641 0.099 1
1 423 . 2 1 1 A 44 44 LYS HA H 44 3.860 3.906 -0.046 1
1 432 . 2 1 1 A 44 44 LYS C C 44 178.300 178.844 -0.544 1
1 433 . 2 1 1 A 44 44 LYS CA C 44 61.100 59.855 1.245 1
1 434 . 2 1 1 A 44 44 LYS CB C 44 32.800 32.086 0.714 1
1 438 . 2 1 1 A 44 44 LYS N N 44 119.300 119.603 -0.303 1
1 439 . 2 1 1 A 45 45 THR H H 45 7.440 7.882 -0.442 1
1 440 . 2 1 1 A 45 45 THR HA H 45 3.930 3.869 0.061 1
1 445 . 2 1 1 A 45 45 THR C C 45 176.700 176.510 0.190 1
1 446 . 2 1 1 A 45 45 THR CA C 45 67.100 67.174 -0.074 1
1 447 . 2 1 1 A 45 45 THR CB C 45 68.800 68.301 0.499 1
1 449 . 2 1 1 A 45 45 THR N N 45 114.000 117.125 -3.125 1
1 450 . 2 1 1 A 46 46 LYS H H 46 7.500 7.706 -0.206 1
1 451 . 2 1 1 A 46 46 LYS HA H 46 4.100 4.008 0.092 1
1 460 . 2 1 1 A 46 46 LYS C C 46 179.700 179.577 0.123 1
1 461 . 2 1 1 A 46 46 LYS CA C 46 59.400 59.908 -0.508 1
1 462 . 2 1 1 A 46 46 LYS CB C 46 32.100 32.320 -0.220 1
1 466 . 2 1 1 A 46 46 LYS N N 46 121.700 120.181 1.519 1
1 467 . 2 1 1 A 47 47 LEU H H 47 9.010 8.458 0.552 1
1 468 . 2 1 1 A 47 47 LEU HA H 47 4.040 3.954 0.086 1
1 478 . 2 1 1 A 47 47 LEU C C 47 180.000 178.873 1.127 1
1 479 . 2 1 1 A 47 47 LEU CA C 47 57.200 58.079 -0.879 1
1 480 . 2 1 1 A 47 47 LEU CB C 47 40.700 41.297 -0.597 1
1 484 . 2 1 1 A 47 47 LEU N N 47 118.000 119.772 -1.772 1
1 485 . 2 1 1 A 48 48 GLU H H 48 8.450 8.538 -0.088 1
1 486 . 2 1 1 A 48 48 GLU HA H 48 4.050 3.958 0.092 1
1 491 . 2 1 1 A 48 48 GLU C C 48 178.800 179.266 -0.466 1
1 492 . 2 1 1 A 48 48 GLU CA C 48 59.700 59.486 0.214 1
1 493 . 2 1 1 A 48 48 GLU CB C 48 29.400 29.484 -0.084 1
1 495 . 2 1 1 A 48 48 GLU N N 48 126.300 120.208 6.092 1
1 496 . 2 1 1 A 49 49 ILE H H 49 7.180 7.548 -0.368 1
1 497 . 2 1 1 A 49 49 ILE HA H 49 3.780 3.670 0.110 1
1 507 . 2 1 1 A 49 49 ILE C C 49 178.000 178.084 -0.084 1
1 508 . 2 1 1 A 49 49 ILE CA C 49 64.000 65.562 -1.562 1
1 509 . 2 1 1 A 49 49 ILE CB C 49 38.100 37.677 0.423 1
1 513 . 2 1 1 A 49 49 ILE N N 49 119.600 120.273 -0.673 1
1 514 . 2 1 1 A 50 50 LEU H H 50 7.520 7.847 -0.327 1
1 515 . 2 1 1 A 50 50 LEU HA H 50 4.160 3.964 0.196 1
1 525 . 2 1 1 A 50 50 LEU C C 50 178.400 178.594 -0.194 1
1 526 . 2 1 1 A 50 50 LEU CA C 50 57.500 58.114 -0.614 1
1 527 . 2 1 1 A 50 50 LEU CB C 50 44.300 41.768 2.532 1
1 531 . 2 1 1 A 50 50 LEU N N 50 116.800 121.110 -4.310 1
1 532 . 2 1 1 A 51 51 THR H H 51 8.160 7.819 0.341 1
1 533 . 2 1 1 A 51 51 THR HA H 51 4.490 4.409 0.081 1
1 538 . 2 1 1 A 51 51 THR C C 51 175.600 176.243 -0.643 1
1 539 . 2 1 1 A 51 51 THR CA C 51 62.400 62.363 0.037 1
1 540 . 2 1 1 A 51 51 THR CB C 51 72.900 70.603 2.297 1
1 542 . 2 1 1 A 51 51 THR N N 51 104.100 107.256 -3.156 1
1 543 . 2 1 1 A 52 52 GLY H H 52 8.080 8.427 -0.347 1
1 544 . 2 1 1 A 52 52 GLY HA2 H 52 3.830 3.948 -0.118 1
1 545 . 2 1 1 A 52 52 GLY HA3 H 52 4.250 3.949 0.301 1
1 546 . 2 1 1 A 52 52 GLY C C 52 174.800 174.669 0.131 1
1 547 . 2 1 1 A 52 52 GLY CA C 52 45.500 45.699 -0.199 1
1 548 . 2 1 1 A 52 52 GLY N N 52 112.100 112.261 -0.161 1
1 549 . 2 1 1 A 53 53 GLY H H 53 7.880 7.801 0.079 1
1 550 . 2 1 1 A 53 53 GLY HA2 H 53 3.220 4.054 -0.834 1
1 551 . 2 1 1 A 53 53 GLY HA3 H 53 4.040 4.055 -0.015 1
1 552 . 2 1 1 A 53 53 GLY C C 53 170.900 173.114 -2.214 1
1 553 . 2 1 1 A 53 53 GLY CA C 53 44.300 44.210 0.090 1
1 554 . 2 1 1 A 53 53 GLY N N 53 107.000 107.819 -0.819 1
1 555 . 2 1 1 A 54 54 CYS H H 54 8.690 8.530 0.160 1
1 556 . 2 1 1 A 54 54 CYS HA H 54 4.430 5.048 -0.618 1
1 559 . 2 1 1 A 54 54 CYS C C 54 176.100 175.168 0.932 1
1 560 . 2 1 1 A 54 54 CYS CA C 54 57.900 57.799 0.101 1
1 561 . 2 1 1 A 54 54 CYS CB C 54 27.800 28.899 -1.099 1
1 562 . 2 1 1 A 54 54 CYS N N 54 120.200 119.242 0.958 1
1 563 . 2 1 1 A 55 55 ALA H H 55 10.100 8.926 1.174 1
1 564 . 2 1 1 A 55 55 ALA HA H 55 3.890 3.946 -0.056 1
1 568 . 2 1 1 A 55 55 ALA C C 55 178.900 179.128 -0.228 1
1 569 . 2 1 1 A 55 55 ALA CA C 55 55.700 55.122 0.578 1
1 570 . 2 1 1 A 55 55 ALA CB C 55 18.500 18.514 -0.014 1
1 571 . 2 1 1 A 55 55 ALA N N 55 133.900 126.787 7.113 1
1 572 . 2 1 1 A 56 56 GLY H H 56 8.380 8.444 -0.064 1
1 573 . 2 1 1 A 56 56 GLY HA2 H 56 3.910 3.907 0.003 1
1 574 . 2 1 1 A 56 56 GLY HA3 H 56 3.910 3.909 0.001 1
1 575 . 2 1 1 A 56 56 GLY C C 56 174.600 174.659 -0.059 1
1 576 . 2 1 1 A 56 56 GLY CA C 56 45.900 45.931 -0.031 1
1 577 . 2 1 1 A 56 56 GLY N N 56 104.300 105.264 -0.964 1
1 578 . 2 1 1 A 57 57 THR H H 57 7.310 7.645 -0.335 1
1 579 . 2 1 1 A 57 57 THR HA H 57 4.520 4.445 0.075 1
1 584 . 2 1 1 A 57 57 THR C C 57 175.500 174.335 1.165 1
1 585 . 2 1 1 A 57 57 THR CA C 57 61.400 63.105 -1.705 1
1 586 . 2 1 1 A 57 57 THR CB C 57 69.900 70.470 -0.570 1
1 588 . 2 1 1 A 57 57 THR N N 57 107.700 112.790 -5.090 1
1 589 . 2 1 1 A 58 58 MET H H 58 7.910 7.688 0.222 1
1 590 . 2 1 1 A 58 58 MET HA H 58 4.540 4.627 -0.087 1
1 598 . 2 1 1 A 58 58 MET C C 58 175.100 175.683 -0.583 1
1 599 . 2 1 1 A 58 58 MET CA C 58 56.900 54.222 2.678 1
1 600 . 2 1 1 A 58 58 MET CB C 58 33.700 34.168 -0.468 1
1 603 . 2 1 1 A 58 58 MET N N 58 120.700 119.272 1.428 1
1 604 . 2 1 1 A 59 59 LYS H H 59 8.780 8.213 0.567 1
1 605 . 2 1 1 A 59 59 LYS HA H 59 4.610 4.862 -0.252 1
1 614 . 2 1 1 A 59 59 LYS C C 59 174.500 175.065 -0.565 1
1 615 . 2 1 1 A 59 59 LYS CA C 59 54.500 54.530 -0.030 1
1 616 . 2 1 1 A 59 59 LYS CB C 59 34.700 35.765 -1.065 1
1 620 . 2 1 1 A 59 59 LYS N N 59 122.400 121.616 0.784 1
1 621 . 2 1 1 A 60 60 VAL H H 60 8.740 8.482 0.258 1
1 622 . 2 1 1 A 60 60 VAL HA H 60 4.700 4.931 -0.231 1
1 630 . 2 1 1 A 60 60 VAL C C 60 175.000 175.172 -0.172 1
1 631 . 2 1 1 A 60 60 VAL CA C 60 61.300 60.800 0.500 1
1 632 . 2 1 1 A 60 60 VAL CB C 60 33.400 33.868 -0.468 1
1 635 . 2 1 1 A 60 60 VAL N N 60 122.100 121.362 0.738 1
1 636 . 2 1 1 A 61 61 GLN H H 61 9.250 8.621 0.629 1
1 637 . 2 1 1 A 61 61 GLN HA H 61 4.790 4.899 -0.109 1
1 644 . 2 1 1 A 61 61 GLN C C 61 174.700 174.141 0.559 1
1 645 . 2 1 1 A 61 61 GLN CA C 61 54.200 54.074 0.126 1
1 646 . 2 1 1 A 61 61 GLN CB C 61 32.800 33.143 -0.343 1
1 649 . 2 1 1 A 61 61 GLN N N 61 126.400 125.415 0.985 1
1 651 . 2 1 1 A 62 62 VAL H H 62 8.690 8.325 0.365 1
1 652 . 2 1 1 A 62 62 VAL HA H 62 4.650 4.810 -0.160 1
1 660 . 2 1 1 A 62 62 VAL C C 62 174.700 174.769 -0.069 1
1 661 . 2 1 1 A 62 62 VAL CA C 62 61.800 61.151 0.649 1
1 662 . 2 1 1 A 62 62 VAL CB C 62 32.500 32.990 -0.490 1
1 665 . 2 1 1 A 62 62 VAL N N 62 121.700 122.228 -0.528 1
1 666 . 2 1 1 A 63 63 PHE H H 63 10.020 9.185 0.835 1
1 667 . 2 1 1 A 63 63 PHE HA H 63 5.170 5.188 -0.018 1
1 675 . 2 1 1 A 63 63 PHE C C 63 175.100 174.530 0.570 1
1 676 . 2 1 1 A 63 63 PHE CA C 63 56.800 55.873 0.927 1
1 677 . 2 1 1 A 63 63 PHE CB C 63 42.900 43.984 -1.084 1
1 683 . 2 1 1 A 63 63 PHE N N 63 127.100 125.797 1.303 1
1 684 . 2 1 1 A 64 64 LYS H H 64 8.710 8.610 0.100 1
1 685 . 2 1 1 A 64 64 LYS HA H 64 4.650 4.641 0.009 1
1 694 . 2 1 1 A 64 64 LYS C C 64 176.900 176.714 0.186 1
1 695 . 2 1 1 A 64 64 LYS CA C 64 55.100 55.058 0.042 1
1 696 . 2 1 1 A 64 64 LYS CB C 64 34.100 33.502 0.598 1
1 700 . 2 1 1 A 64 64 LYS N N 64 123.900 122.896 1.004 1
1 701 . 2 1 1 A 65 65 GLY H H 65 9.160 9.004 0.156 1
1 702 . 2 1 1 A 65 65 GLY HA2 H 65 3.680 3.885 -0.205 1
1 703 . 2 1 1 A 65 65 GLY HA3 H 65 4.050 3.892 0.158 1
1 704 . 2 1 1 A 65 65 GLY C C 65 174.600 174.465 0.135 1
1 705 . 2 1 1 A 65 65 GLY CA C 65 47.200 47.263 -0.063 1
1 706 . 2 1 1 A 65 65 GLY N N 65 118.800 115.342 3.458 1
1 707 . 2 1 1 A 66 66 ASP H H 66 8.760 8.682 0.078 1
1 708 . 2 1 1 A 66 66 ASP HA H 66 4.700 4.765 -0.065 1
1 711 . 2 1 1 A 66 66 ASP C C 66 176.000 174.877 1.123 1
1 712 . 2 1 1 A 66 66 ASP CA C 66 54.300 53.867 0.433 1
1 713 . 2 1 1 A 66 66 ASP CB C 66 41.300 40.896 0.404 1
1 714 . 2 1 1 A 66 66 ASP N N 66 126.400 126.807 -0.407 1
1 715 . 2 1 1 A 67 67 THR H H 67 8.020 7.344 0.676 1
1 716 . 2 1 1 A 67 67 THR HA H 67 4.300 4.906 -0.606 1
1 721 . 2 1 1 A 67 67 THR C C 67 172.100 173.719 -1.619 1
1 722 . 2 1 1 A 67 67 THR CA C 67 62.400 61.609 0.791 1
1 723 . 2 1 1 A 67 67 THR CB C 67 70.700 70.975 -0.275 1
1 725 . 2 1 1 A 67 67 THR N N 67 117.500 115.521 1.979 1
1 726 . 2 1 1 A 68 68 CYS H H 68 8.940 8.905 0.035 1
1 727 . 2 1 1 A 68 68 CYS HA H 68 3.400 4.533 -1.133 1
1 730 . 2 1 1 A 68 68 CYS C C 68 174.900 174.343 0.557 1
1 731 . 2 1 1 A 68 68 CYS CA C 68 58.700 58.427 0.273 1
1 732 . 2 1 1 A 68 68 CYS CB C 68 25.600 27.540 -1.940 1
1 733 . 2 1 1 A 68 68 CYS N N 68 129.500 124.618 4.882 1
1 734 . 2 1 1 A 69 69 VAL H H 69 9.090 8.219 0.871 1
1 735 . 2 1 1 A 69 69 VAL HA H 69 4.150 3.900 0.250 1
1 743 . 2 1 1 A 69 69 VAL C C 69 176.300 175.392 0.908 1
1 744 . 2 1 1 A 69 69 VAL CA C 69 62.900 64.154 -1.254 1
1 745 . 2 1 1 A 69 69 VAL CB C 69 32.800 32.234 0.566 1
1 748 . 2 1 1 A 69 69 VAL N N 69 127.500 127.346 0.154 1
1 749 . 2 1 1 A 70 70 SER H H 70 7.640 7.012 0.628 1
1 750 . 2 1 1 A 70 70 SER HA H 70 4.550 4.642 -0.092 1
1 753 . 2 1 1 A 70 70 SER C C 70 172.300 171.765 0.535 1
1 754 . 2 1 1 A 70 70 SER CA C 70 58.700 57.740 0.960 1
1 755 . 2 1 1 A 70 70 SER CB C 70 65.100 66.637 -1.537 1
1 756 . 2 1 1 A 70 70 SER N N 70 113.400 112.637 0.763 1
1 757 . 2 1 1 A 71 71 THR H H 71 8.220 8.419 -0.199 1
1 758 . 2 1 1 A 71 71 THR HA H 71 4.580 4.757 -0.177 1
1 763 . 2 1 1 A 71 71 THR C C 71 174.000 174.268 -0.268 1
1 764 . 2 1 1 A 71 71 THR CA C 71 61.800 61.212 0.588 1
1 765 . 2 1 1 A 71 71 THR CB C 71 70.500 71.186 -0.686 1
1 767 . 2 1 1 A 71 71 THR N N 71 114.500 115.875 -1.375 1
1 768 . 2 1 1 A 72 72 MET H H 72 8.260 8.842 -0.582 1
1 769 . 2 1 1 A 72 72 MET HA H 72 2.990 3.924 -0.934 1
1 777 . 2 1 1 A 72 72 MET C C 72 175.700 175.482 0.218 1
1 778 . 2 1 1 A 72 72 MET CA C 72 55.100 54.100 1.000 1
1 779 . 2 1 1 A 72 72 MET CB C 72 30.200 31.094 -0.894 1
1 782 . 2 1 1 A 72 72 MET N N 72 121.800 125.119 -3.319 1
1 783 . 2 1 1 A 73 73 ASP H H 73 7.830 8.119 -0.289 1
1 784 . 2 1 1 A 73 73 ASP HA H 73 4.370 4.653 -0.283 1
1 787 . 2 1 1 A 73 73 ASP C C 73 175.100 176.145 -1.045 1
1 788 . 2 1 1 A 73 73 ASP CA C 73 55.800 55.680 0.120 1
1 789 . 2 1 1 A 73 73 ASP CB C 73 41.800 41.942 -0.142 1
1 790 . 2 1 1 A 73 73 ASP N N 73 125.100 124.847 0.253 1
1 791 . 2 1 1 A 74 74 ASN H H 74 7.480 7.544 -0.064 1
1 792 . 2 1 1 A 74 74 ASN HA H 74 4.890 4.947 -0.057 1
1 797 . 2 1 1 A 74 74 ASN C C 74 175.800 176.064 -0.264 1
1 798 . 2 1 1 A 74 74 ASN CA C 74 51.600 52.628 -1.028 1
1 799 . 2 1 1 A 74 74 ASN CB C 74 38.800 38.153 0.647 1
1 801 . 2 1 1 A 74 74 ASN N N 74 116.400 117.517 -1.117 1
1 803 . 2 1 1 A 75 75 ASN H H 75 8.870 8.963 -0.093 1
1 804 . 2 1 1 A 75 75 ASN HA H 75 4.390 4.561 -0.171 1
1 809 . 2 1 1 A 75 75 ASN C C 75 175.700 175.332 0.368 1
1 810 . 2 1 1 A 75 75 ASN CA C 75 55.600 54.822 0.778 1
1 811 . 2 1 1 A 75 75 ASN CB C 75 39.200 37.284 1.916 1
1 813 . 2 1 1 A 75 75 ASN N N 75 123.600 123.410 0.190 1
1 815 . 2 1 1 A 76 76 ASP H H 76 8.060 7.882 0.178 1
1 816 . 2 1 1 A 76 76 ASP HA H 76 4.750 4.712 0.038 1
1 819 . 2 1 1 A 76 76 ASP C C 76 176.200 175.973 0.227 1
1 820 . 2 1 1 A 76 76 ASP CA C 76 54.200 54.246 -0.046 1
1 821 . 2 1 1 A 76 76 ASP CB C 76 41.700 41.721 -0.021 1
1 822 . 2 1 1 A 76 76 ASP N N 76 115.100 118.274 -3.174 1
1 823 . 2 1 1 A 77 77 ALA H H 77 7.140 7.282 -0.142 1
1 824 . 2 1 1 A 77 77 ALA HA H 77 4.160 4.225 -0.065 1
1 828 . 2 1 1 A 77 77 ALA C C 77 176.100 177.176 -1.076 1
1 829 . 2 1 1 A 77 77 ALA CA C 77 51.400 52.159 -0.759 1
1 830 . 2 1 1 A 77 77 ALA CB C 77 20.100 19.584 0.516 1
1 831 . 2 1 1 A 77 77 ALA N N 77 122.600 123.023 -0.423 1
1 832 . 2 1 1 A 78 78 GLN H H 78 8.090 8.997 -0.907 1
1 833 . 2 1 1 A 78 78 GLN HA H 78 4.750 4.470 0.280 1
1 840 . 2 1 1 A 78 78 GLN C C 78 177.900 177.675 0.225 1
1 841 . 2 1 1 A 78 78 GLN CA C 78 55.200 55.409 -0.209 1
1 842 . 2 1 1 A 78 78 GLN CB C 78 29.500 29.509 -0.009 1
1 845 . 2 1 1 A 78 78 GLN N N 78 116.500 120.247 -3.747 1
1 847 . 2 1 1 A 79 79 LEU H H 79 9.380 9.239 0.141 1
1 848 . 2 1 1 A 79 79 LEU HA H 79 4.060 4.189 -0.129 1
1 858 . 2 1 1 A 79 79 LEU C C 79 179.200 179.154 0.046 1
1 859 . 2 1 1 A 79 79 LEU CA C 79 58.900 58.033 0.867 1
1 860 . 2 1 1 A 79 79 LEU CB C 79 42.000 41.548 0.452 1
1 864 . 2 1 1 A 79 79 LEU N N 79 123.800 126.316 -2.516 1
1 865 . 2 1 1 A 80 80 GLY H H 80 9.130 8.183 0.947 1
1 866 . 2 1 1 A 80 80 GLY HA2 H 80 3.750 3.932 -0.182 1
1 867 . 2 1 1 A 80 80 GLY HA3 H 80 4.160 3.956 0.204 1
1 868 . 2 1 1 A 80 80 GLY C C 80 174.100 174.937 -0.837 1
1 869 . 2 1 1 A 80 80 GLY CA C 80 45.600 46.217 -0.617 1
1 870 . 2 1 1 A 80 80 GLY N N 80 104.000 106.203 -2.203 1
1 871 . 2 1 1 A 81 81 TYR H H 81 7.900 8.105 -0.205 1
1 872 . 2 1 1 A 81 81 TYR HA H 81 4.000 3.912 0.088 1
1 879 . 2 1 1 A 81 81 TYR C C 81 176.300 176.600 -0.300 1
1 880 . 2 1 1 A 81 81 TYR CA C 81 60.600 60.705 -0.105 1
1 881 . 2 1 1 A 81 81 TYR CB C 81 38.700 38.193 0.507 1
1 886 . 2 1 1 A 81 81 TYR N N 81 120.300 122.462 -2.162 1
1 887 . 2 1 1 A 82 82 TYR H H 82 7.430 7.926 -0.496 1
1 888 . 2 1 1 A 82 82 TYR HA H 82 4.340 4.666 -0.326 1
1 895 . 2 1 1 A 82 82 TYR C C 82 175.500 176.174 -0.674 1
1 896 . 2 1 1 A 82 82 TYR CA C 82 58.700 59.019 -0.319 1
1 897 . 2 1 1 A 82 82 TYR CB C 82 41.500 40.226 1.274 1
1 902 . 2 1 1 A 82 82 TYR N N 82 114.000 114.292 -0.292 1
1 903 . 2 1 1 A 83 83 ALA H H 83 8.430 7.768 0.662 1
1 904 . 2 1 1 A 83 83 ALA HA H 83 4.380 4.448 -0.068 1
1 908 . 2 1 1 A 83 83 ALA C C 83 173.400 177.680 -4.280 1
1 909 . 2 1 1 A 83 83 ALA CA C 83 51.000 52.623 -1.623 1
1 910 . 2 1 1 A 83 83 ALA CB C 83 19.500 19.598 -0.098 1
1 911 . 2 1 1 A 83 83 ALA N N 83 122.900 122.963 -0.063 1
1 912 . 2 1 1 A 84 84 ASN H H 84 8.050 8.315 -0.265 1
1 913 . 2 1 1 A 84 84 ASN HA H 84 4.760 4.315 0.445 1
1 918 . 2 1 1 A 84 84 ASN C C 84 174.600 174.114 0.486 1
1 919 . 2 1 1 A 84 84 ASN CA C 84 52.200 54.234 -2.034 1
1 920 . 2 1 1 A 84 84 ASN CB C 84 39.300 37.723 1.577 1
1 922 . 2 1 1 A 84 84 ASN N N 84 117.300 117.333 -0.033 1
1 924 . 2 1 1 A 85 85 SER H H 85 7.180 7.734 -0.554 1
1 925 . 2 1 1 A 85 85 SER HA H 85 4.670 4.663 0.007 1
1 928 . 2 1 1 A 85 85 SER C C 85 172.000 172.800 -0.800 1
1 929 . 2 1 1 A 85 85 SER CA C 85 56.900 57.156 -0.256 1
1 930 . 2 1 1 A 85 85 SER CB C 85 66.000 65.904 0.096 1
1 931 . 2 1 1 A 85 85 SER N N 85 112.200 113.039 -0.839 1
1 932 . 2 1 1 A 86 86 ASP H H 86 8.320 8.796 -0.476 1
1 933 . 2 1 1 A 86 86 ASP HA H 86 4.920 4.545 0.375 1
1 936 . 2 1 1 A 86 86 ASP C C 86 178.100 177.127 0.973 1
1 937 . 2 1 1 A 86 86 ASP CA C 86 55.000 55.580 -0.580 1
1 938 . 2 1 1 A 86 86 ASP CB C 86 42.000 41.094 0.906 1
1 939 . 2 1 1 A 86 86 ASP N N 86 119.100 126.677 -7.577 1
1 940 . 2 1 1 A 87 87 GLY H H 87 8.910 8.769 0.141 1
1 941 . 2 1 1 A 87 87 GLY HA2 H 87 3.850 3.999 -0.149 1
1 942 . 2 1 1 A 87 87 GLY HA3 H 87 4.110 4.006 0.104 1
1 943 . 2 1 1 A 87 87 GLY C C 87 175.400 174.853 0.547 1
1 944 . 2 1 1 A 87 87 GLY CA C 87 46.100 44.957 1.143 1
1 945 . 2 1 1 A 87 87 GLY N N 87 107.900 111.258 -3.358 1
1 946 . 2 1 1 A 88 88 LEU H H 88 8.290 7.851 0.439 1
1 947 . 2 1 1 A 88 88 LEU HA H 88 4.740 4.497 0.243 1
1 957 . 2 1 1 A 88 88 LEU C C 88 175.000 175.958 -0.958 1
1 958 . 2 1 1 A 88 88 LEU CA C 88 54.500 54.682 -0.182 1
1 959 . 2 1 1 A 88 88 LEU CB C 88 43.200 42.583 0.617 1
1 963 . 2 1 1 A 88 88 LEU N N 88 120.300 122.934 -2.634 1
1 964 . 2 1 1 A 89 89 ARG H H 89 8.880 8.517 0.363 1
1 965 . 2 1 1 A 89 89 ARG HA H 89 5.300 5.421 -0.121 1
1 973 . 2 1 1 A 89 89 ARG C C 89 174.900 174.360 0.540 1
1 974 . 2 1 1 A 89 89 ARG CA C 89 53.600 54.493 -0.893 1
1 975 . 2 1 1 A 89 89 ARG CB C 89 34.300 33.725 0.575 1
1 979 . 2 1 1 A 89 89 ARG N N 89 121.200 122.570 -1.370 1
1 981 . 2 1 1 A 90 90 LEU H H 90 9.250 9.420 -0.170 1
1 982 . 2 1 1 A 90 90 LEU HA H 90 5.270 5.241 0.029 1
1 992 . 2 1 1 A 90 90 LEU C C 90 173.700 175.240 -1.540 1
1 993 . 2 1 1 A 90 90 LEU CA C 90 52.900 53.565 -0.665 1
1 994 . 2 1 1 A 90 90 LEU CB C 90 42.000 43.553 -1.553 1
1 998 . 2 1 1 A 90 90 LEU N N 90 125.500 128.384 -2.884 1
1 999 . 2 1 1 A 91 91 HIS H H 91 9.600 8.821 0.779 1
1 1000 . 2 1 1 A 91 91 HIS HA H 91 5.280 5.749 -0.469 1
1 1005 . 2 1 1 A 91 91 HIS C C 91 174.300 173.259 1.041 1
1 1006 . 2 1 1 A 91 91 HIS CA C 91 54.500 53.332 1.168 1
1 1007 . 2 1 1 A 91 91 HIS CB C 91 35.200 32.613 2.587 1
1 1010 . 2 1 1 A 91 91 HIS N N 91 124.800 124.734 0.066 1
1 1013 . 2 1 1 A 92 92 VAL H H 92 8.300 8.704 -0.404 1
1 1014 . 2 1 1 A 92 92 VAL HA H 92 4.110 4.612 -0.502 1
1 1022 . 2 1 1 A 92 92 VAL C C 92 174.200 174.601 -0.401 1
1 1023 . 2 1 1 A 92 92 VAL CA C 92 62.900 61.200 1.700 1
1 1024 . 2 1 1 A 92 92 VAL CB C 92 32.600 33.269 -0.669 1
1 1027 . 2 1 1 A 92 92 VAL N N 92 128.400 127.071 1.329 1
1 1028 . 2 1 1 A 93 93 VAL H H 93 8.950 8.737 0.213 1
1 1029 . 2 1 1 A 93 93 VAL HA H 93 4.170 4.389 -0.219 1
1 1037 . 2 1 1 A 93 93 VAL C C 93 175.600 173.735 1.865 1
1 1038 . 2 1 1 A 93 93 VAL CA C 93 61.100 61.092 0.008 1
1 1039 . 2 1 1 A 93 93 VAL CB C 93 33.300 32.858 0.442 1
1 1042 . 2 1 1 A 93 93 VAL N N 93 127.800 128.313 -0.513 1
1 1043 . 2 1 1 A 94 94 ASP H H 94 8.280 8.953 -0.673 1
1 1044 . 2 1 1 A 94 94 ASP HA H 94 4.850 4.996 -0.146 1
1 1047 . 2 1 1 A 94 94 ASP C C 94 174.700 174.832 -0.132 1
1 1048 . 2 1 1 A 94 94 ASP CA C 94 53.800 53.101 0.699 1
1 1049 . 2 1 1 A 94 94 ASP CB C 94 42.500 42.177 0.323 1
1 1050 . 2 1 1 A 94 94 ASP N N 94 127.100 129.350 -2.250 1
1 1 . 3 1 1 A 11 11 GLY C C 11 174.100 173.214 0.886 1
1 2 . 3 1 1 A 11 11 GLY CA C 11 45.300 44.635 0.665 1
1 3 . 3 1 1 A 12 12 LYS H H 12 8.180 8.368 -0.188 1
1 4 . 3 1 1 A 12 12 LYS HA H 12 4.320 4.815 -0.495 1
1 13 . 3 1 1 A 12 12 LYS C C 12 176.700 176.095 0.605 1
1 14 . 3 1 1 A 12 12 LYS CA C 12 56.400 56.029 0.371 1
1 15 . 3 1 1 A 12 12 LYS CB C 12 33.200 33.245 -0.045 1
1 19 . 3 1 1 A 12 12 LYS N N 12 120.600 118.132 2.468 1
1 20 . 3 1 1 A 13 13 SER H H 13 8.360 9.037 -0.677 1
1 21 . 3 1 1 A 13 13 SER HA H 13 4.450 5.275 -0.825 1
1 24 . 3 1 1 A 13 13 SER C C 13 173.800 173.684 0.116 1
1 25 . 3 1 1 A 13 13 SER CA C 13 58.000 57.270 0.730 1
1 26 . 3 1 1 A 13 13 SER CB C 13 63.900 65.881 -1.981 1
1 27 . 3 1 1 A 13 13 SER N N 13 116.300 115.111 1.189 1
1 28 . 3 1 1 A 14 14 ASP H H 14 8.450 8.553 -0.103 1
1 29 . 3 1 1 A 14 14 ASP HA H 14 4.670 4.793 -0.123 1
1 32 . 3 1 1 A 14 14 ASP C C 14 175.100 175.217 -0.117 1
1 33 . 3 1 1 A 14 14 ASP CA C 14 54.400 54.424 -0.024 1
1 34 . 3 1 1 A 14 14 ASP CB C 14 41.500 41.275 0.225 1
1 35 . 3 1 1 A 14 14 ASP N N 14 122.400 123.957 -1.557 1
1 36 . 3 1 1 A 15 15 PHE H H 15 8.110 7.633 0.477 1
1 37 . 3 1 1 A 15 15 PHE HA H 15 5.290 5.120 0.170 1
1 45 . 3 1 1 A 15 15 PHE C C 15 175.000 175.344 -0.344 1
1 46 . 3 1 1 A 15 15 PHE CA C 15 56.600 56.820 -0.220 1
1 47 . 3 1 1 A 15 15 PHE CB C 15 42.600 41.711 0.889 1
1 53 . 3 1 1 A 15 15 PHE N N 15 118.500 118.551 -0.051 1
1 54 . 3 1 1 A 16 16 ILE H H 16 9.160 8.395 0.765 1
1 55 . 3 1 1 A 16 16 ILE HA H 16 4.710 5.015 -0.305 1
1 65 . 3 1 1 A 16 16 ILE C C 16 173.400 174.260 -0.860 1
1 66 . 3 1 1 A 16 16 ILE CA C 16 59.300 59.169 0.131 1
1 67 . 3 1 1 A 16 16 ILE CB C 16 42.100 42.400 -0.300 1
1 71 . 3 1 1 A 16 16 ILE N N 16 116.700 116.071 0.629 1
1 72 . 3 1 1 A 17 17 LYS H H 17 8.530 8.525 0.005 1
1 73 . 3 1 1 A 17 17 LYS HA H 17 5.220 5.139 0.081 1
1 82 . 3 1 1 A 17 17 LYS C C 17 176.400 175.934 0.466 1
1 83 . 3 1 1 A 17 17 LYS CA C 17 54.900 55.341 -0.441 1
1 84 . 3 1 1 A 17 17 LYS CB C 17 34.100 34.426 -0.326 1
1 88 . 3 1 1 A 17 17 LYS N N 17 123.200 122.835 0.365 1
1 89 . 3 1 1 A 18 18 VAL H H 18 8.900 8.551 0.349 1
1 90 . 3 1 1 A 18 18 VAL HA H 18 4.990 4.973 0.017 1
1 98 . 3 1 1 A 18 18 VAL C C 18 174.300 174.224 0.076 1
1 99 . 3 1 1 A 18 18 VAL CA C 18 58.600 58.742 -0.142 1
1 100 . 3 1 1 A 18 18 VAL CB C 18 35.600 36.188 -0.588 1
1 103 . 3 1 1 A 18 18 VAL N N 18 117.500 117.481 0.019 1
1 104 . 3 1 1 A 19 19 ASN H H 19 7.830 8.876 -1.046 1
1 105 . 3 1 1 A 19 19 ASN HA H 19 5.780 5.527 0.253 1
1 110 . 3 1 1 A 19 19 ASN C C 19 175.300 174.296 1.004 1
1 111 . 3 1 1 A 19 19 ASN CA C 19 51.000 51.998 -0.998 1
1 112 . 3 1 1 A 19 19 ASN CB C 19 39.500 40.610 -1.110 1
1 114 . 3 1 1 A 19 19 ASN N N 19 117.700 119.039 -1.339 1
1 116 . 3 1 1 A 20 20 VAL H H 20 9.140 8.216 0.924 1
1 117 . 3 1 1 A 20 20 VAL HA H 20 5.480 5.006 0.474 1
1 125 . 3 1 1 A 20 20 VAL C C 20 174.900 174.602 0.298 1
1 126 . 3 1 1 A 20 20 VAL CA C 20 61.100 60.623 0.477 1
1 127 . 3 1 1 A 20 20 VAL CB C 20 35.000 34.444 0.556 1
1 130 . 3 1 1 A 20 20 VAL N N 20 120.600 123.545 -2.945 1
1 131 . 3 1 1 A 21 21 SER H H 21 9.700 9.128 0.572 1
1 132 . 3 1 1 A 21 21 SER HA H 21 4.930 5.394 -0.464 1
1 135 . 3 1 1 A 21 21 SER C C 21 172.900 172.868 0.032 1
1 136 . 3 1 1 A 21 21 SER CA C 21 57.300 57.056 0.244 1
1 137 . 3 1 1 A 21 21 SER CB C 21 66.900 66.199 0.701 1
1 138 . 3 1 1 A 21 21 SER N N 21 125.600 122.727 2.873 1
1 139 . 3 1 1 A 22 22 ASN H H 22 9.800 8.830 0.970 1
1 140 . 3 1 1 A 22 22 ASN HA H 22 5.240 5.273 -0.033 1
1 145 . 3 1 1 A 22 22 ASN C C 22 174.200 174.997 -0.797 1
1 146 . 3 1 1 A 22 22 ASN CA C 22 53.500 51.852 1.648 1
1 147 . 3 1 1 A 22 22 ASN CB C 22 43.000 41.296 1.704 1
1 149 . 3 1 1 A 22 22 ASN N N 22 116.100 120.850 -4.750 1
1 151 . 3 1 1 A 23 23 SER H H 23 8.200 8.183 0.017 1
1 152 . 3 1 1 A 23 23 SER HA H 23 4.370 4.666 -0.296 1
1 155 . 3 1 1 A 23 23 SER CA C 23 59.700 59.137 0.563 1
1 156 . 3 1 1 A 23 23 SER CB C 23 64.500 64.007 0.493 1
1 157 . 3 1 1 A 23 23 SER N N 23 111.800 117.626 -5.826 1
1 158 . 3 1 1 A 24 24 HIS H H 24 9.070 7.910 1.160 1
1 159 . 3 1 1 A 24 24 HIS HA H 24 4.790 4.866 -0.076 1
1 164 . 3 1 1 A 24 24 HIS C C 24 175.100 174.762 0.338 1
1 165 . 3 1 1 A 24 24 HIS CA C 24 57.000 54.141 2.859 1
1 166 . 3 1 1 A 24 24 HIS CB C 24 31.300 32.985 -1.685 1
1 169 . 3 1 1 A 24 24 HIS N N 24 121.900 118.876 3.024 1
1 171 . 3 1 1 A 25 25 ASN H H 25 8.420 9.474 -1.054 1
1 172 . 3 1 1 A 25 25 ASN HA H 25 4.710 4.367 0.343 1
1 177 . 3 1 1 A 25 25 ASN C C 25 173.900 174.347 -0.447 1
1 178 . 3 1 1 A 25 25 ASN CA C 25 52.800 54.780 -1.980 1
1 179 . 3 1 1 A 25 25 ASN CB C 25 39.500 37.146 2.354 1
1 181 . 3 1 1 A 25 25 ASN N N 25 119.300 119.423 -0.123 1
1 183 . 3 1 1 A 26 26 ASP H H 26 8.130 8.517 -0.387 1
1 184 . 3 1 1 A 26 26 ASP HA H 26 4.660 4.188 0.472 1
1 187 . 3 1 1 A 26 26 ASP C C 26 176.300 175.401 0.899 1
1 188 . 3 1 1 A 26 26 ASP CA C 26 53.600 55.741 -2.141 1
1 189 . 3 1 1 A 26 26 ASP CB C 26 40.900 39.743 1.157 1
1 190 . 3 1 1 A 26 26 ASP N N 26 115.800 111.767 4.033 1
1 191 . 3 1 1 A 27 27 ALA H H 27 8.330 7.375 0.955 1
1 192 . 3 1 1 A 27 27 ALA HA H 27 4.210 4.445 -0.235 1
1 196 . 3 1 1 A 27 27 ALA C C 27 178.500 177.042 1.458 1
1 197 . 3 1 1 A 27 27 ALA CA C 27 53.100 52.156 0.944 1
1 198 . 3 1 1 A 27 27 ALA CB C 27 19.200 19.459 -0.259 1
1 199 . 3 1 1 A 27 27 ALA N N 27 124.500 120.602 3.898 1
1 200 . 3 1 1 A 28 28 VAL H H 28 8.310 8.502 -0.192 1
1 201 . 3 1 1 A 28 28 VAL HA H 28 4.360 4.725 -0.365 1
1 209 . 3 1 1 A 28 28 VAL CA C 28 61.000 60.235 0.765 1
1 210 . 3 1 1 A 28 28 VAL CB C 28 35.000 34.696 0.304 1
1 213 . 3 1 1 A 28 28 VAL N N 28 124.500 123.166 1.334 1
1 214 . 3 1 1 A 29 29 ALA H H 29 8.460 8.498 -0.038 1
1 215 . 3 1 1 A 29 29 ALA HA H 29 4.590 5.377 -0.787 1
1 219 . 3 1 1 A 29 29 ALA C C 29 175.800 175.488 0.312 1
1 220 . 3 1 1 A 29 29 ALA CA C 29 50.400 49.769 0.631 1
1 221 . 3 1 1 A 29 29 ALA CB C 29 20.100 22.293 -2.193 1
1 222 . 3 1 1 A 30 30 PHE H H 30 8.640 8.914 -0.274 1
1 223 . 3 1 1 A 30 30 PHE HA H 30 4.870 4.909 -0.039 1
1 231 . 3 1 1 A 30 30 PHE C C 30 175.800 175.409 0.391 1
1 232 . 3 1 1 A 30 30 PHE CA C 30 57.300 56.515 0.785 1
1 233 . 3 1 1 A 30 30 PHE CB C 30 41.600 41.908 -0.308 1
1 239 . 3 1 1 A 30 30 PHE N N 30 122.100 120.119 1.981 1
1 240 . 3 1 1 A 31 31 GLU H H 31 8.670 8.935 -0.265 1
1 241 . 3 1 1 A 31 31 GLU HA H 31 3.530 3.870 -0.340 1
1 246 . 3 1 1 A 31 31 GLU C C 31 174.700 175.065 -0.365 1
1 247 . 3 1 1 A 31 31 GLU CA C 31 57.200 57.168 0.032 1
1 248 . 3 1 1 A 31 31 GLU CB C 31 27.600 27.871 -0.271 1
1 250 . 3 1 1 A 31 31 GLU N N 31 118.900 118.907 -0.007 1
1 251 . 3 1 1 A 32 32 VAL H H 32 9.100 7.511 1.589 1
1 252 . 3 1 1 A 32 32 VAL HA H 32 3.770 4.195 -0.425 1
1 260 . 3 1 1 A 32 32 VAL C C 32 175.400 175.019 0.381 1
1 261 . 3 1 1 A 32 32 VAL CA C 32 62.900 62.306 0.594 1
1 262 . 3 1 1 A 32 32 VAL CB C 32 32.200 32.385 -0.185 1
1 265 . 3 1 1 A 32 32 VAL N N 32 122.300 118.168 4.132 1
1 266 . 3 1 1 A 33 33 LYS H H 33 8.330 8.658 -0.328 1
1 267 . 3 1 1 A 33 33 LYS HA H 33 4.980 4.871 0.109 1
1 276 . 3 1 1 A 33 33 LYS C C 33 176.300 175.356 0.944 1
1 277 . 3 1 1 A 33 33 LYS CA C 33 55.700 55.746 -0.046 1
1 278 . 3 1 1 A 33 33 LYS CB C 33 33.500 33.386 0.114 1
1 282 . 3 1 1 A 33 33 LYS N N 33 128.300 130.646 -2.346 1
1 283 . 3 1 1 A 34 34 LEU H H 34 9.140 8.252 0.888 1
1 284 . 3 1 1 A 34 34 LEU HA H 34 4.750 5.042 -0.292 1
1 294 . 3 1 1 A 34 34 LEU C C 34 175.000 176.055 -1.055 1
1 295 . 3 1 1 A 34 34 LEU CA C 34 52.900 53.596 -0.696 1
1 296 . 3 1 1 A 34 34 LEU CB C 34 46.700 46.161 0.539 1
1 300 . 3 1 1 A 34 34 LEU N N 34 126.700 128.270 -1.570 1
1 301 . 3 1 1 A 35 35 ALA H H 35 8.650 8.860 -0.210 1
1 302 . 3 1 1 A 35 35 ALA HA H 35 4.100 4.034 0.066 1
1 306 . 3 1 1 A 35 35 ALA C C 35 178.000 177.887 0.113 1
1 307 . 3 1 1 A 35 35 ALA CA C 35 52.300 52.038 0.262 1
1 308 . 3 1 1 A 35 35 ALA CB C 35 19.100 18.923 0.177 1
1 309 . 3 1 1 A 35 35 ALA N N 35 126.600 127.199 -0.599 1
1 310 . 3 1 1 A 36 36 LYS H H 36 8.230 8.744 -0.514 1
1 311 . 3 1 1 A 36 36 LYS HA H 36 3.710 4.128 -0.418 1
1 320 . 3 1 1 A 36 36 LYS C C 36 176.000 177.692 -1.692 1
1 321 . 3 1 1 A 36 36 LYS CA C 36 59.800 58.736 1.064 1
1 322 . 3 1 1 A 36 36 LYS CB C 36 33.200 32.049 1.151 1
1 326 . 3 1 1 A 36 36 LYS N N 36 119.200 125.764 -6.564 1
1 327 . 3 1 1 A 37 37 ASP H H 37 8.060 7.926 0.134 1
1 328 . 3 1 1 A 37 37 ASP HA H 37 4.470 4.638 -0.168 1
1 331 . 3 1 1 A 37 37 ASP C C 37 176.800 176.468 0.332 1
1 332 . 3 1 1 A 37 37 ASP CA C 37 53.000 54.613 -1.613 1
1 333 . 3 1 1 A 37 37 ASP CB C 37 39.700 41.185 -1.485 1
1 334 . 3 1 1 A 37 37 ASP N N 37 112.700 117.564 -4.864 1
1 335 . 3 1 1 A 38 38 LEU H H 38 7.170 7.070 0.100 1
1 336 . 3 1 1 A 38 38 LEU HA H 38 4.280 4.215 0.065 1
1 346 . 3 1 1 A 38 38 LEU C C 38 177.600 177.220 0.380 1
1 347 . 3 1 1 A 38 38 LEU CA C 38 55.800 55.129 0.671 1
1 348 . 3 1 1 A 38 38 LEU CB C 38 43.900 42.377 1.523 1
1 352 . 3 1 1 A 38 38 LEU N N 38 122.100 121.457 0.643 1
1 353 . 3 1 1 A 39 39 THR H H 39 8.430 8.595 -0.165 1
1 354 . 3 1 1 A 39 39 THR HA H 39 5.010 4.811 0.199 1
1 360 . 3 1 1 A 39 39 THR C C 39 176.500 176.199 0.301 1
1 361 . 3 1 1 A 39 39 THR CA C 39 60.900 60.460 0.440 1
1 362 . 3 1 1 A 39 39 THR CB C 39 71.200 71.287 -0.087 1
1 364 . 3 1 1 A 39 39 THR N N 39 112.800 115.032 -2.232 1
1 365 . 3 1 1 A 40 40 VAL H H 40 8.740 8.520 0.220 1
1 366 . 3 1 1 A 40 40 VAL HA H 40 3.530 3.693 -0.163 1
1 374 . 3 1 1 A 40 40 VAL C C 40 178.200 177.347 0.853 1
1 375 . 3 1 1 A 40 40 VAL CA C 40 67.300 66.687 0.613 1
1 376 . 3 1 1 A 40 40 VAL CB C 40 31.600 31.695 -0.095 1
1 379 . 3 1 1 A 40 40 VAL N N 40 123.600 122.315 1.285 1
1 380 . 3 1 1 A 41 41 ALA H H 41 8.520 8.197 0.323 1
1 381 . 3 1 1 A 41 41 ALA HA H 41 3.950 3.921 0.029 1
1 385 . 3 1 1 A 41 41 ALA C C 41 180.700 179.955 0.745 1
1 386 . 3 1 1 A 41 41 ALA CA C 41 56.100 55.776 0.324 1
1 387 . 3 1 1 A 41 41 ALA CB C 41 18.800 18.272 0.528 1
1 388 . 3 1 1 A 41 41 ALA N N 41 121.400 122.209 -0.809 1
1 389 . 3 1 1 A 42 42 GLN H H 42 7.740 7.864 -0.124 1
1 390 . 3 1 1 A 42 42 GLN HA H 42 4.060 4.047 0.013 1
1 397 . 3 1 1 A 42 42 GLN C C 42 180.300 178.703 1.597 1
1 398 . 3 1 1 A 42 42 GLN CA C 42 58.600 58.817 -0.217 1
1 399 . 3 1 1 A 42 42 GLN CB C 42 29.200 28.588 0.612 1
1 402 . 3 1 1 A 42 42 GLN N N 42 117.500 118.224 -0.724 1
1 404 . 3 1 1 A 43 43 LEU H H 43 9.210 8.038 1.172 1
1 405 . 3 1 1 A 43 43 LEU HA H 43 3.940 4.121 -0.181 1
1 415 . 3 1 1 A 43 43 LEU C C 43 178.300 178.745 -0.445 1
1 416 . 3 1 1 A 43 43 LEU CA C 43 57.900 57.724 0.176 1
1 417 . 3 1 1 A 43 43 LEU CB C 43 41.300 41.734 -0.434 1
1 421 . 3 1 1 A 43 43 LEU N N 43 123.000 121.574 1.426 1
1 422 . 3 1 1 A 44 44 LYS H H 44 8.740 7.916 0.824 1
1 423 . 3 1 1 A 44 44 LYS HA H 44 3.860 3.950 -0.090 1
1 432 . 3 1 1 A 44 44 LYS C C 44 178.300 179.243 -0.943 1
1 433 . 3 1 1 A 44 44 LYS CA C 44 61.100 59.400 1.700 1
1 434 . 3 1 1 A 44 44 LYS CB C 44 32.800 32.268 0.532 1
1 438 . 3 1 1 A 44 44 LYS N N 44 119.300 118.865 0.435 1
1 439 . 3 1 1 A 45 45 THR H H 45 7.440 7.761 -0.321 1
1 440 . 3 1 1 A 45 45 THR HA H 45 3.930 3.882 0.048 1
1 445 . 3 1 1 A 45 45 THR C C 45 176.700 176.614 0.086 1
1 446 . 3 1 1 A 45 45 THR CA C 45 67.100 67.210 -0.110 1
1 447 . 3 1 1 A 45 45 THR CB C 45 68.800 68.337 0.463 1
1 449 . 3 1 1 A 45 45 THR N N 45 114.000 118.075 -4.075 1
1 450 . 3 1 1 A 46 46 LYS H H 46 7.500 7.789 -0.289 1
1 451 . 3 1 1 A 46 46 LYS HA H 46 4.100 4.008 0.092 1
1 460 . 3 1 1 A 46 46 LYS C C 46 179.700 179.606 0.094 1
1 461 . 3 1 1 A 46 46 LYS CA C 46 59.400 59.924 -0.524 1
1 462 . 3 1 1 A 46 46 LYS CB C 46 32.100 32.274 -0.174 1
1 466 . 3 1 1 A 46 46 LYS N N 46 121.700 120.364 1.336 1
1 467 . 3 1 1 A 47 47 LEU H H 47 9.010 8.526 0.484 1
1 468 . 3 1 1 A 47 47 LEU HA H 47 4.040 3.960 0.080 1
1 478 . 3 1 1 A 47 47 LEU C C 47 180.000 178.716 1.284 1
1 479 . 3 1 1 A 47 47 LEU CA C 47 57.200 57.989 -0.789 1
1 480 . 3 1 1 A 47 47 LEU CB C 47 40.700 41.361 -0.661 1
1 484 . 3 1 1 A 47 47 LEU N N 47 118.000 119.682 -1.682 1
1 485 . 3 1 1 A 48 48 GLU H H 48 8.450 8.690 -0.240 1
1 486 . 3 1 1 A 48 48 GLU HA H 48 4.050 3.976 0.074 1
1 491 . 3 1 1 A 48 48 GLU C C 48 178.800 179.353 -0.553 1
1 492 . 3 1 1 A 48 48 GLU CA C 48 59.700 59.495 0.205 1
1 493 . 3 1 1 A 48 48 GLU CB C 48 29.400 29.371 0.029 1
1 495 . 3 1 1 A 48 48 GLU N N 48 126.300 119.908 6.392 1
1 496 . 3 1 1 A 49 49 ILE H H 49 7.180 7.555 -0.375 1
1 497 . 3 1 1 A 49 49 ILE HA H 49 3.780 3.690 0.090 1
1 507 . 3 1 1 A 49 49 ILE C C 49 178.000 178.297 -0.297 1
1 508 . 3 1 1 A 49 49 ILE CA C 49 64.000 65.177 -1.177 1
1 509 . 3 1 1 A 49 49 ILE CB C 49 38.100 37.802 0.298 1
1 513 . 3 1 1 A 49 49 ILE N N 49 119.600 119.875 -0.275 1
1 514 . 3 1 1 A 50 50 LEU H H 50 7.520 7.939 -0.419 1
1 515 . 3 1 1 A 50 50 LEU HA H 50 4.160 3.937 0.223 1
1 525 . 3 1 1 A 50 50 LEU C C 50 178.400 178.547 -0.147 1
1 526 . 3 1 1 A 50 50 LEU CA C 50 57.500 58.113 -0.613 1
1 527 . 3 1 1 A 50 50 LEU CB C 50 44.300 41.748 2.552 1
1 531 . 3 1 1 A 50 50 LEU N N 50 116.800 121.519 -4.719 1
1 532 . 3 1 1 A 51 51 THR H H 51 8.160 8.474 -0.314 1
1 533 . 3 1 1 A 51 51 THR HA H 51 4.490 4.444 0.046 1
1 538 . 3 1 1 A 51 51 THR C C 51 175.600 175.942 -0.342 1
1 539 . 3 1 1 A 51 51 THR CA C 51 62.400 62.314 0.086 1
1 540 . 3 1 1 A 51 51 THR CB C 51 72.900 70.684 2.216 1
1 542 . 3 1 1 A 51 51 THR N N 51 104.100 107.243 -3.143 1
1 543 . 3 1 1 A 52 52 GLY H H 52 8.080 8.415 -0.335 1
1 544 . 3 1 1 A 52 52 GLY HA2 H 52 3.830 3.948 -0.118 1
1 545 . 3 1 1 A 52 52 GLY HA3 H 52 4.250 3.949 0.301 1
1 546 . 3 1 1 A 52 52 GLY C C 52 174.800 174.857 -0.057 1
1 547 . 3 1 1 A 52 52 GLY CA C 52 45.500 46.111 -0.611 1
1 548 . 3 1 1 A 52 52 GLY N N 52 112.100 112.311 -0.211 1
1 549 . 3 1 1 A 53 53 GLY H H 53 7.880 7.722 0.158 1
1 550 . 3 1 1 A 53 53 GLY HA2 H 53 3.220 3.997 -0.777 1
1 551 . 3 1 1 A 53 53 GLY HA3 H 53 4.040 4.003 0.037 1
1 552 . 3 1 1 A 53 53 GLY C C 53 170.900 173.052 -2.152 1
1 553 . 3 1 1 A 53 53 GLY CA C 53 44.300 44.065 0.235 1
1 554 . 3 1 1 A 53 53 GLY N N 53 107.000 108.267 -1.267 1
1 555 . 3 1 1 A 54 54 CYS H H 54 8.690 8.230 0.460 1
1 556 . 3 1 1 A 54 54 CYS HA H 54 4.430 5.292 -0.862 1
1 559 . 3 1 1 A 54 54 CYS C C 54 176.100 175.051 1.049 1
1 560 . 3 1 1 A 54 54 CYS CA C 54 57.900 57.634 0.266 1
1 561 . 3 1 1 A 54 54 CYS CB C 54 27.800 29.238 -1.438 1
1 562 . 3 1 1 A 54 54 CYS N N 54 120.200 117.477 2.723 1
1 563 . 3 1 1 A 55 55 ALA H H 55 10.100 9.025 1.075 1
1 564 . 3 1 1 A 55 55 ALA HA H 55 3.890 3.917 -0.027 1
1 568 . 3 1 1 A 55 55 ALA C C 55 178.900 179.478 -0.578 1
1 569 . 3 1 1 A 55 55 ALA CA C 55 55.700 55.103 0.597 1
1 570 . 3 1 1 A 55 55 ALA CB C 55 18.500 18.456 0.044 1
1 571 . 3 1 1 A 55 55 ALA N N 55 133.900 128.221 5.679 1
1 572 . 3 1 1 A 56 56 GLY H H 56 8.380 8.365 0.015 1
1 573 . 3 1 1 A 56 56 GLY HA2 H 56 3.910 3.709 0.201 1
1 574 . 3 1 1 A 56 56 GLY HA3 H 56 3.910 3.710 0.200 1
1 575 . 3 1 1 A 56 56 GLY C C 56 174.600 174.804 -0.204 1
1 576 . 3 1 1 A 56 56 GLY CA C 56 45.900 47.230 -1.330 1
1 577 . 3 1 1 A 56 56 GLY N N 56 104.300 105.600 -1.300 1
1 578 . 3 1 1 A 57 57 THR H H 57 7.310 7.193 0.117 1
1 579 . 3 1 1 A 57 57 THR HA H 57 4.520 4.517 0.003 1
1 584 . 3 1 1 A 57 57 THR C C 57 175.500 174.373 1.127 1
1 585 . 3 1 1 A 57 57 THR CA C 57 61.400 61.905 -0.505 1
1 586 . 3 1 1 A 57 57 THR CB C 57 69.900 69.477 0.423 1
1 588 . 3 1 1 A 57 57 THR N N 57 107.700 110.536 -2.836 1
1 589 . 3 1 1 A 58 58 MET H H 58 7.910 7.158 0.752 1
1 590 . 3 1 1 A 58 58 MET HA H 58 4.540 4.580 -0.040 1
1 598 . 3 1 1 A 58 58 MET C C 58 175.100 175.539 -0.439 1
1 599 . 3 1 1 A 58 58 MET CA C 58 56.900 55.710 1.190 1
1 600 . 3 1 1 A 58 58 MET CB C 58 33.700 33.460 0.240 1
1 603 . 3 1 1 A 58 58 MET N N 58 120.700 122.985 -2.285 1
1 604 . 3 1 1 A 59 59 LYS H H 59 8.780 8.671 0.109 1
1 605 . 3 1 1 A 59 59 LYS HA H 59 4.610 5.098 -0.488 1
1 614 . 3 1 1 A 59 59 LYS C C 59 174.500 174.962 -0.462 1
1 615 . 3 1 1 A 59 59 LYS CA C 59 54.500 54.791 -0.291 1
1 616 . 3 1 1 A 59 59 LYS CB C 59 34.700 35.612 -0.912 1
1 620 . 3 1 1 A 59 59 LYS N N 59 122.400 125.760 -3.360 1
1 621 . 3 1 1 A 60 60 VAL H H 60 8.740 8.725 0.015 1
1 622 . 3 1 1 A 60 60 VAL HA H 60 4.700 4.686 0.014 1
1 630 . 3 1 1 A 60 60 VAL C C 60 175.000 175.211 -0.211 1
1 631 . 3 1 1 A 60 60 VAL CA C 60 61.300 61.407 -0.107 1
1 632 . 3 1 1 A 60 60 VAL CB C 60 33.400 33.207 0.193 1
1 635 . 3 1 1 A 60 60 VAL N N 60 122.100 123.666 -1.566 1
1 636 . 3 1 1 A 61 61 GLN H H 61 9.250 8.669 0.581 1
1 637 . 3 1 1 A 61 61 GLN HA H 61 4.790 4.998 -0.208 1
1 644 . 3 1 1 A 61 61 GLN C C 61 174.700 174.672 0.028 1
1 645 . 3 1 1 A 61 61 GLN CA C 61 54.200 54.102 0.098 1
1 646 . 3 1 1 A 61 61 GLN CB C 61 32.800 32.324 0.476 1
1 649 . 3 1 1 A 61 61 GLN N N 61 126.400 126.134 0.266 1
1 651 . 3 1 1 A 62 62 VAL H H 62 8.690 8.362 0.328 1
1 652 . 3 1 1 A 62 62 VAL HA H 62 4.650 4.642 0.008 1
1 660 . 3 1 1 A 62 62 VAL C C 62 174.700 175.114 -0.414 1
1 661 . 3 1 1 A 62 62 VAL CA C 62 61.800 61.684 0.116 1
1 662 . 3 1 1 A 62 62 VAL CB C 62 32.500 31.980 0.520 1
1 665 . 3 1 1 A 62 62 VAL N N 62 121.700 123.825 -2.125 1
1 666 . 3 1 1 A 63 63 PHE H H 63 10.020 9.328 0.692 1
1 667 . 3 1 1 A 63 63 PHE HA H 63 5.170 5.223 -0.053 1
1 675 . 3 1 1 A 63 63 PHE C C 63 175.100 174.617 0.483 1
1 676 . 3 1 1 A 63 63 PHE CA C 63 56.800 55.889 0.911 1
1 677 . 3 1 1 A 63 63 PHE CB C 63 42.900 43.386 -0.486 1
1 683 . 3 1 1 A 63 63 PHE N N 63 127.100 126.023 1.077 1
1 684 . 3 1 1 A 64 64 LYS H H 64 8.710 8.491 0.219 1
1 685 . 3 1 1 A 64 64 LYS HA H 64 4.650 4.670 -0.020 1
1 694 . 3 1 1 A 64 64 LYS C C 64 176.900 176.584 0.316 1
1 695 . 3 1 1 A 64 64 LYS CA C 64 55.100 55.210 -0.110 1
1 696 . 3 1 1 A 64 64 LYS CB C 64 34.100 33.750 0.350 1
1 700 . 3 1 1 A 64 64 LYS N N 64 123.900 123.596 0.304 1
1 701 . 3 1 1 A 65 65 GLY H H 65 9.160 9.018 0.142 1
1 702 . 3 1 1 A 65 65 GLY HA2 H 65 3.680 3.891 -0.211 1
1 703 . 3 1 1 A 65 65 GLY HA3 H 65 4.050 3.893 0.157 1
1 704 . 3 1 1 A 65 65 GLY C C 65 174.600 174.443 0.157 1
1 705 . 3 1 1 A 65 65 GLY CA C 65 47.200 47.153 0.047 1
1 706 . 3 1 1 A 65 65 GLY N N 65 118.800 115.592 3.208 1
1 707 . 3 1 1 A 66 66 ASP H H 66 8.760 8.693 0.067 1
1 708 . 3 1 1 A 66 66 ASP HA H 66 4.700 4.722 -0.022 1
1 711 . 3 1 1 A 66 66 ASP C C 66 176.000 175.315 0.685 1
1 712 . 3 1 1 A 66 66 ASP CA C 66 54.300 53.412 0.888 1
1 713 . 3 1 1 A 66 66 ASP CB C 66 41.300 40.662 0.638 1
1 714 . 3 1 1 A 66 66 ASP N N 66 126.400 126.026 0.374 1
1 715 . 3 1 1 A 67 67 THR H H 67 8.020 7.144 0.876 1
1 716 . 3 1 1 A 67 67 THR HA H 67 4.300 4.978 -0.678 1
1 721 . 3 1 1 A 67 67 THR C C 67 172.100 173.668 -1.568 1
1 722 . 3 1 1 A 67 67 THR CA C 67 62.400 61.427 0.973 1
1 723 . 3 1 1 A 67 67 THR CB C 67 70.700 71.831 -1.131 1
1 725 . 3 1 1 A 67 67 THR N N 67 117.500 114.469 3.031 1
1 726 . 3 1 1 A 68 68 CYS H H 68 8.940 8.843 0.097 1
1 727 . 3 1 1 A 68 68 CYS HA H 68 3.400 4.413 -1.013 1
1 730 . 3 1 1 A 68 68 CYS C C 68 174.900 174.395 0.505 1
1 731 . 3 1 1 A 68 68 CYS CA C 68 58.700 58.541 0.159 1
1 732 . 3 1 1 A 68 68 CYS CB C 68 25.600 27.202 -1.602 1
1 733 . 3 1 1 A 68 68 CYS N N 68 129.500 124.163 5.337 1
1 734 . 3 1 1 A 69 69 VAL H H 69 9.090 8.288 0.802 1
1 735 . 3 1 1 A 69 69 VAL HA H 69 4.150 3.932 0.218 1
1 743 . 3 1 1 A 69 69 VAL C C 69 176.300 175.686 0.614 1
1 744 . 3 1 1 A 69 69 VAL CA C 69 62.900 64.150 -1.250 1
1 745 . 3 1 1 A 69 69 VAL CB C 69 32.800 32.544 0.256 1
1 748 . 3 1 1 A 69 69 VAL N N 69 127.500 126.096 1.404 1
1 749 . 3 1 1 A 70 70 SER H H 70 7.640 7.411 0.229 1
1 750 . 3 1 1 A 70 70 SER HA H 70 4.550 4.527 0.023 1
1 753 . 3 1 1 A 70 70 SER C C 70 172.300 171.605 0.695 1
1 754 . 3 1 1 A 70 70 SER CA C 70 58.700 57.263 1.437 1
1 755 . 3 1 1 A 70 70 SER CB C 70 65.100 65.474 -0.374 1
1 756 . 3 1 1 A 70 70 SER N N 70 113.400 111.219 2.181 1
1 757 . 3 1 1 A 71 71 THR H H 71 8.220 8.472 -0.252 1
1 758 . 3 1 1 A 71 71 THR HA H 71 4.580 4.716 -0.136 1
1 763 . 3 1 1 A 71 71 THR C C 71 174.000 174.342 -0.342 1
1 764 . 3 1 1 A 71 71 THR CA C 71 61.800 61.231 0.569 1
1 765 . 3 1 1 A 71 71 THR CB C 71 70.500 70.701 -0.201 1
1 767 . 3 1 1 A 71 71 THR N N 71 114.500 117.692 -3.192 1
1 768 . 3 1 1 A 72 72 MET H H 72 8.260 8.828 -0.568 1
1 769 . 3 1 1 A 72 72 MET HA H 72 2.990 3.909 -0.919 1
1 777 . 3 1 1 A 72 72 MET C C 72 175.700 175.880 -0.180 1
1 778 . 3 1 1 A 72 72 MET CA C 72 55.100 54.032 1.068 1
1 779 . 3 1 1 A 72 72 MET CB C 72 30.200 31.051 -0.851 1
1 782 . 3 1 1 A 72 72 MET N N 72 121.800 125.137 -3.337 1
1 783 . 3 1 1 A 73 73 ASP H H 73 7.830 8.732 -0.902 1
1 784 . 3 1 1 A 73 73 ASP HA H 73 4.370 4.637 -0.267 1
1 787 . 3 1 1 A 73 73 ASP C C 73 175.100 175.779 -0.679 1
1 788 . 3 1 1 A 73 73 ASP CA C 73 55.800 55.363 0.437 1
1 789 . 3 1 1 A 73 73 ASP CB C 73 41.800 42.014 -0.214 1
1 790 . 3 1 1 A 73 73 ASP N N 73 125.100 125.632 -0.532 1
1 791 . 3 1 1 A 74 74 ASN H H 74 7.480 7.709 -0.229 1
1 792 . 3 1 1 A 74 74 ASN HA H 74 4.890 4.761 0.129 1
1 797 . 3 1 1 A 74 74 ASN C C 74 175.800 176.178 -0.378 1
1 798 . 3 1 1 A 74 74 ASN CA C 74 51.600 52.495 -0.895 1
1 799 . 3 1 1 A 74 74 ASN CB C 74 38.800 39.200 -0.400 1
1 801 . 3 1 1 A 74 74 ASN N N 74 116.400 117.821 -1.421 1
1 803 . 3 1 1 A 75 75 ASN H H 75 8.870 8.952 -0.082 1
1 804 . 3 1 1 A 75 75 ASN HA H 75 4.390 4.547 -0.157 1
1 809 . 3 1 1 A 75 75 ASN C C 75 175.700 175.311 0.389 1
1 810 . 3 1 1 A 75 75 ASN CA C 75 55.600 54.869 0.731 1
1 811 . 3 1 1 A 75 75 ASN CB C 75 39.200 37.295 1.905 1
1 813 . 3 1 1 A 75 75 ASN N N 75 123.600 124.390 -0.790 1
1 815 . 3 1 1 A 76 76 ASP H H 76 8.060 8.527 -0.467 1
1 816 . 3 1 1 A 76 76 ASP HA H 76 4.750 4.728 0.022 1
1 819 . 3 1 1 A 76 76 ASP C C 76 176.200 176.083 0.117 1
1 820 . 3 1 1 A 76 76 ASP CA C 76 54.200 54.289 -0.089 1
1 821 . 3 1 1 A 76 76 ASP CB C 76 41.700 41.495 0.205 1
1 822 . 3 1 1 A 76 76 ASP N N 76 115.100 117.958 -2.858 1
1 823 . 3 1 1 A 77 77 ALA H H 77 7.140 7.137 0.003 1
1 824 . 3 1 1 A 77 77 ALA HA H 77 4.160 4.229 -0.069 1
1 828 . 3 1 1 A 77 77 ALA C C 77 176.100 177.469 -1.369 1
1 829 . 3 1 1 A 77 77 ALA CA C 77 51.400 51.505 -0.105 1
1 830 . 3 1 1 A 77 77 ALA CB C 77 20.100 20.418 -0.318 1
1 831 . 3 1 1 A 77 77 ALA N N 77 122.600 123.027 -0.427 1
1 832 . 3 1 1 A 78 78 GLN H H 78 8.090 9.047 -0.957 1
1 833 . 3 1 1 A 78 78 GLN HA H 78 4.750 4.407 0.343 1
1 840 . 3 1 1 A 78 78 GLN C C 78 177.900 177.466 0.434 1
1 841 . 3 1 1 A 78 78 GLN CA C 78 55.200 55.493 -0.293 1
1 842 . 3 1 1 A 78 78 GLN CB C 78 29.500 29.686 -0.186 1
1 845 . 3 1 1 A 78 78 GLN N N 78 116.500 120.344 -3.844 1
1 847 . 3 1 1 A 79 79 LEU H H 79 9.380 9.312 0.068 1
1 848 . 3 1 1 A 79 79 LEU HA H 79 4.060 4.210 -0.150 1
1 858 . 3 1 1 A 79 79 LEU C C 79 179.200 179.034 0.166 1
1 859 . 3 1 1 A 79 79 LEU CA C 79 58.900 58.024 0.876 1
1 860 . 3 1 1 A 79 79 LEU CB C 79 42.000 41.531 0.469 1
1 864 . 3 1 1 A 79 79 LEU N N 79 123.800 126.378 -2.578 1
1 865 . 3 1 1 A 80 80 GLY H H 80 9.130 7.939 1.191 1
1 866 . 3 1 1 A 80 80 GLY HA2 H 80 3.750 3.932 -0.182 1
1 867 . 3 1 1 A 80 80 GLY HA3 H 80 4.160 3.956 0.204 1
1 868 . 3 1 1 A 80 80 GLY C C 80 174.100 175.154 -1.054 1
1 869 . 3 1 1 A 80 80 GLY CA C 80 45.600 46.256 -0.656 1
1 870 . 3 1 1 A 80 80 GLY N N 80 104.000 106.192 -2.192 1
1 871 . 3 1 1 A 81 81 TYR H H 81 7.900 8.047 -0.147 1
1 872 . 3 1 1 A 81 81 TYR HA H 81 4.000 3.925 0.075 1
1 879 . 3 1 1 A 81 81 TYR C C 81 176.300 176.766 -0.466 1
1 880 . 3 1 1 A 81 81 TYR CA C 81 60.600 60.743 -0.143 1
1 881 . 3 1 1 A 81 81 TYR CB C 81 38.700 38.160 0.540 1
1 886 . 3 1 1 A 81 81 TYR N N 81 120.300 122.509 -2.209 1
1 887 . 3 1 1 A 82 82 TYR H H 82 7.430 7.325 0.105 1
1 888 . 3 1 1 A 82 82 TYR HA H 82 4.340 4.668 -0.328 1
1 895 . 3 1 1 A 82 82 TYR C C 82 175.500 176.649 -1.149 1
1 896 . 3 1 1 A 82 82 TYR CA C 82 58.700 59.120 -0.420 1
1 897 . 3 1 1 A 82 82 TYR CB C 82 41.500 40.318 1.182 1
1 902 . 3 1 1 A 82 82 TYR N N 82 114.000 114.658 -0.658 1
1 903 . 3 1 1 A 83 83 ALA H H 83 8.430 7.487 0.943 1
1 904 . 3 1 1 A 83 83 ALA HA H 83 4.380 4.533 -0.153 1
1 908 . 3 1 1 A 83 83 ALA C C 83 173.400 176.687 -3.287 1
1 909 . 3 1 1 A 83 83 ALA CA C 83 51.000 51.113 -0.113 1
1 910 . 3 1 1 A 83 83 ALA CB C 83 19.500 18.103 1.397 1
1 911 . 3 1 1 A 83 83 ALA N N 83 122.900 120.725 2.175 1
1 912 . 3 1 1 A 84 84 ASN H H 84 8.050 8.886 -0.836 1
1 913 . 3 1 1 A 84 84 ASN HA H 84 4.760 4.891 -0.131 1
1 918 . 3 1 1 A 84 84 ASN C C 84 174.600 174.119 0.481 1
1 919 . 3 1 1 A 84 84 ASN CA C 84 52.200 52.273 -0.073 1
1 920 . 3 1 1 A 84 84 ASN CB C 84 39.300 37.699 1.601 1
1 922 . 3 1 1 A 84 84 ASN N N 84 117.300 121.786 -4.486 1
1 924 . 3 1 1 A 85 85 SER H H 85 7.180 7.820 -0.640 1
1 925 . 3 1 1 A 85 85 SER HA H 85 4.670 4.728 -0.058 1
1 928 . 3 1 1 A 85 85 SER C C 85 172.000 172.188 -0.188 1
1 929 . 3 1 1 A 85 85 SER CA C 85 56.900 56.416 0.484 1
1 930 . 3 1 1 A 85 85 SER CB C 85 66.000 64.473 1.527 1
1 931 . 3 1 1 A 85 85 SER N N 85 112.200 117.508 -5.308 1
1 932 . 3 1 1 A 86 86 ASP H H 86 8.320 8.651 -0.331 1
1 933 . 3 1 1 A 86 86 ASP HA H 86 4.920 5.143 -0.223 1
1 936 . 3 1 1 A 86 86 ASP C C 86 178.100 175.155 2.945 1
1 937 . 3 1 1 A 86 86 ASP CA C 86 55.000 53.356 1.644 1
1 938 . 3 1 1 A 86 86 ASP CB C 86 42.000 43.495 -1.495 1
1 939 . 3 1 1 A 86 86 ASP N N 86 119.100 121.976 -2.876 1
1 940 . 3 1 1 A 87 87 GLY H H 87 8.910 8.487 0.423 1
1 941 . 3 1 1 A 87 87 GLY HA2 H 87 3.850 3.976 -0.126 1
1 942 . 3 1 1 A 87 87 GLY HA3 H 87 4.110 3.987 0.123 1
1 943 . 3 1 1 A 87 87 GLY C C 87 175.400 174.821 0.579 1
1 944 . 3 1 1 A 87 87 GLY CA C 87 46.100 45.140 0.960 1
1 945 . 3 1 1 A 87 87 GLY N N 87 107.900 111.153 -3.253 1
1 946 . 3 1 1 A 88 88 LEU H H 88 8.290 7.839 0.451 1
1 947 . 3 1 1 A 88 88 LEU HA H 88 4.740 4.394 0.346 1
1 957 . 3 1 1 A 88 88 LEU C C 88 175.000 176.223 -1.223 1
1 958 . 3 1 1 A 88 88 LEU CA C 88 54.500 54.828 -0.328 1
1 959 . 3 1 1 A 88 88 LEU CB C 88 43.200 42.537 0.663 1
1 963 . 3 1 1 A 88 88 LEU N N 88 120.300 123.176 -2.876 1
1 964 . 3 1 1 A 89 89 ARG H H 89 8.880 8.508 0.372 1
1 965 . 3 1 1 A 89 89 ARG HA H 89 5.300 5.302 -0.002 1
1 973 . 3 1 1 A 89 89 ARG C C 89 174.900 174.595 0.305 1
1 974 . 3 1 1 A 89 89 ARG CA C 89 53.600 54.675 -1.075 1
1 975 . 3 1 1 A 89 89 ARG CB C 89 34.300 33.642 0.658 1
1 979 . 3 1 1 A 89 89 ARG N N 89 121.200 122.888 -1.688 1
1 981 . 3 1 1 A 90 90 LEU H H 90 9.250 9.689 -0.439 1
1 982 . 3 1 1 A 90 90 LEU HA H 90 5.270 5.204 0.066 1
1 992 . 3 1 1 A 90 90 LEU C C 90 173.700 175.304 -1.604 1
1 993 . 3 1 1 A 90 90 LEU CA C 90 52.900 53.332 -0.432 1
1 994 . 3 1 1 A 90 90 LEU CB C 90 42.000 44.004 -2.004 1
1 998 . 3 1 1 A 90 90 LEU N N 90 125.500 128.132 -2.632 1
1 999 . 3 1 1 A 91 91 HIS H H 91 9.600 9.334 0.266 1
1 1000 . 3 1 1 A 91 91 HIS HA H 91 5.280 5.376 -0.096 1
1 1005 . 3 1 1 A 91 91 HIS C C 91 174.300 173.505 0.795 1
1 1006 . 3 1 1 A 91 91 HIS CA C 91 54.500 53.984 0.516 1
1 1007 . 3 1 1 A 91 91 HIS CB C 91 35.200 32.029 3.171 1
1 1010 . 3 1 1 A 91 91 HIS N N 91 124.800 125.021 -0.221 1
1 1013 . 3 1 1 A 92 92 VAL H H 92 8.300 9.298 -0.998 1
1 1014 . 3 1 1 A 92 92 VAL HA H 92 4.110 4.389 -0.279 1
1 1022 . 3 1 1 A 92 92 VAL C C 92 174.200 175.057 -0.857 1
1 1023 . 3 1 1 A 92 92 VAL CA C 92 62.900 61.763 1.137 1
1 1024 . 3 1 1 A 92 92 VAL CB C 92 32.600 32.420 0.180 1
1 1027 . 3 1 1 A 92 92 VAL N N 92 128.400 128.034 0.366 1
1 1028 . 3 1 1 A 93 93 VAL H H 93 8.950 8.677 0.273 1
1 1029 . 3 1 1 A 93 93 VAL HA H 93 4.170 4.798 -0.628 1
1 1037 . 3 1 1 A 93 93 VAL C C 93 175.600 174.321 1.279 1
1 1038 . 3 1 1 A 93 93 VAL CA C 93 61.100 60.836 0.264 1
1 1039 . 3 1 1 A 93 93 VAL CB C 93 33.300 33.594 -0.294 1
1 1042 . 3 1 1 A 93 93 VAL N N 93 127.800 128.191 -0.391 1
1 1043 . 3 1 1 A 94 94 ASP H H 94 8.280 8.570 -0.290 1
1 1044 . 3 1 1 A 94 94 ASP HA H 94 4.850 5.306 -0.456 1
1 1047 . 3 1 1 A 94 94 ASP C C 94 174.700 175.947 -1.247 1
1 1048 . 3 1 1 A 94 94 ASP CA C 94 53.800 52.329 1.471 1
1 1049 . 3 1 1 A 94 94 ASP CB C 94 42.500 42.352 0.148 1
1 1050 . 3 1 1 A 94 94 ASP N N 94 127.100 126.470 0.630 1
1 1 . 4 1 1 A 11 11 GLY C C 11 174.100 174.301 -0.201 1
1 2 . 4 1 1 A 11 11 GLY CA C 11 45.300 45.926 -0.626 1
1 3 . 4 1 1 A 12 12 LYS H H 12 8.180 7.879 0.301 1
1 4 . 4 1 1 A 12 12 LYS HA H 12 4.320 4.013 0.307 1
1 13 . 4 1 1 A 12 12 LYS C C 12 176.700 177.049 -0.349 1
1 14 . 4 1 1 A 12 12 LYS CA C 12 56.400 56.901 -0.501 1
1 15 . 4 1 1 A 12 12 LYS CB C 12 33.200 32.294 0.906 1
1 19 . 4 1 1 A 12 12 LYS N N 12 120.600 122.893 -2.293 1
1 20 . 4 1 1 A 13 13 SER H H 13 8.360 9.041 -0.681 1
1 21 . 4 1 1 A 13 13 SER HA H 13 4.450 4.339 0.111 1
1 24 . 4 1 1 A 13 13 SER C C 13 173.800 174.640 -0.840 1
1 25 . 4 1 1 A 13 13 SER CA C 13 58.000 59.198 -1.198 1
1 26 . 4 1 1 A 13 13 SER CB C 13 63.900 61.699 2.201 1
1 27 . 4 1 1 A 13 13 SER N N 13 116.300 121.981 -5.681 1
1 28 . 4 1 1 A 14 14 ASP H H 14 8.450 8.522 -0.072 1
1 29 . 4 1 1 A 14 14 ASP HA H 14 4.670 4.702 -0.032 1
1 32 . 4 1 1 A 14 14 ASP C C 14 175.100 175.248 -0.148 1
1 33 . 4 1 1 A 14 14 ASP CA C 14 54.400 53.518 0.882 1
1 34 . 4 1 1 A 14 14 ASP CB C 14 41.500 39.757 1.743 1
1 35 . 4 1 1 A 14 14 ASP N N 14 122.400 119.491 2.909 1
1 36 . 4 1 1 A 15 15 PHE H H 15 8.110 7.998 0.112 1
1 37 . 4 1 1 A 15 15 PHE HA H 15 5.290 5.222 0.068 1
1 45 . 4 1 1 A 15 15 PHE C C 15 175.000 175.022 -0.022 1
1 46 . 4 1 1 A 15 15 PHE CA C 15 56.600 56.289 0.311 1
1 47 . 4 1 1 A 15 15 PHE CB C 15 42.600 43.483 -0.883 1
1 53 . 4 1 1 A 15 15 PHE N N 15 118.500 119.333 -0.833 1
1 54 . 4 1 1 A 16 16 ILE H H 16 9.160 8.577 0.583 1
1 55 . 4 1 1 A 16 16 ILE HA H 16 4.710 5.030 -0.320 1
1 65 . 4 1 1 A 16 16 ILE C C 16 173.400 174.377 -0.977 1
1 66 . 4 1 1 A 16 16 ILE CA C 16 59.300 59.230 0.070 1
1 67 . 4 1 1 A 16 16 ILE CB C 16 42.100 42.209 -0.109 1
1 71 . 4 1 1 A 16 16 ILE N N 16 116.700 116.835 -0.135 1
1 72 . 4 1 1 A 17 17 LYS H H 17 8.530 8.570 -0.040 1
1 73 . 4 1 1 A 17 17 LYS HA H 17 5.220 5.043 0.177 1
1 82 . 4 1 1 A 17 17 LYS C C 17 176.400 175.422 0.978 1
1 83 . 4 1 1 A 17 17 LYS CA C 17 54.900 55.403 -0.503 1
1 84 . 4 1 1 A 17 17 LYS CB C 17 34.100 34.475 -0.375 1
1 88 . 4 1 1 A 17 17 LYS N N 17 123.200 121.616 1.584 1
1 89 . 4 1 1 A 18 18 VAL H H 18 8.900 8.951 -0.051 1
1 90 . 4 1 1 A 18 18 VAL HA H 18 4.990 4.968 0.022 1
1 98 . 4 1 1 A 18 18 VAL C C 18 174.300 174.338 -0.038 1
1 99 . 4 1 1 A 18 18 VAL CA C 18 58.600 58.695 -0.095 1
1 100 . 4 1 1 A 18 18 VAL CB C 18 35.600 35.896 -0.296 1
1 103 . 4 1 1 A 18 18 VAL N N 18 117.500 118.701 -1.201 1
1 104 . 4 1 1 A 19 19 ASN H H 19 7.830 8.605 -0.775 1
1 105 . 4 1 1 A 19 19 ASN HA H 19 5.780 5.390 0.390 1
1 110 . 4 1 1 A 19 19 ASN C C 19 175.300 174.398 0.902 1
1 111 . 4 1 1 A 19 19 ASN CA C 19 51.000 52.381 -1.381 1
1 112 . 4 1 1 A 19 19 ASN CB C 19 39.500 40.509 -1.009 1
1 114 . 4 1 1 A 19 19 ASN N N 19 117.700 119.372 -1.672 1
1 116 . 4 1 1 A 20 20 VAL H H 20 9.140 8.231 0.909 1
1 117 . 4 1 1 A 20 20 VAL HA H 20 5.480 4.944 0.536 1
1 125 . 4 1 1 A 20 20 VAL C C 20 174.900 174.477 0.423 1
1 126 . 4 1 1 A 20 20 VAL CA C 20 61.100 60.569 0.531 1
1 127 . 4 1 1 A 20 20 VAL CB C 20 35.000 34.265 0.735 1
1 130 . 4 1 1 A 20 20 VAL N N 20 120.600 123.646 -3.046 1
1 131 . 4 1 1 A 21 21 SER H H 21 9.700 8.557 1.143 1
1 132 . 4 1 1 A 21 21 SER HA H 21 4.930 5.131 -0.201 1
1 135 . 4 1 1 A 21 21 SER C C 21 172.900 172.529 0.371 1
1 136 . 4 1 1 A 21 21 SER CA C 21 57.300 56.891 0.409 1
1 137 . 4 1 1 A 21 21 SER CB C 21 66.900 66.887 0.013 1
1 138 . 4 1 1 A 21 21 SER N N 21 125.600 119.827 5.773 1
1 139 . 4 1 1 A 22 22 ASN H H 22 9.800 8.822 0.978 1
1 140 . 4 1 1 A 22 22 ASN HA H 22 5.240 5.111 0.129 1
1 145 . 4 1 1 A 22 22 ASN C C 22 174.200 175.445 -1.245 1
1 146 . 4 1 1 A 22 22 ASN CA C 22 53.500 51.667 1.833 1
1 147 . 4 1 1 A 22 22 ASN CB C 22 43.000 42.032 0.968 1
1 149 . 4 1 1 A 22 22 ASN N N 22 116.100 119.843 -3.743 1
1 151 . 4 1 1 A 23 23 SER H H 23 8.200 8.285 -0.085 1
1 152 . 4 1 1 A 23 23 SER HA H 23 4.370 4.505 -0.135 1
1 155 . 4 1 1 A 23 23 SER CA C 23 59.700 60.134 -0.434 1
1 156 . 4 1 1 A 23 23 SER CB C 23 64.500 64.075 0.425 1
1 157 . 4 1 1 A 23 23 SER N N 23 111.800 116.826 -5.026 1
1 158 . 4 1 1 A 24 24 HIS H H 24 9.070 7.803 1.267 1
1 159 . 4 1 1 A 24 24 HIS HA H 24 4.790 4.802 -0.012 1
1 164 . 4 1 1 A 24 24 HIS C C 24 175.100 174.362 0.738 1
1 165 . 4 1 1 A 24 24 HIS CA C 24 57.000 54.703 2.297 1
1 166 . 4 1 1 A 24 24 HIS CB C 24 31.300 33.191 -1.891 1
1 169 . 4 1 1 A 24 24 HIS N N 24 121.900 117.673 4.227 1
1 171 . 4 1 1 A 25 25 ASN H H 25 8.420 9.004 -0.584 1
1 172 . 4 1 1 A 25 25 ASN HA H 25 4.710 4.564 0.146 1
1 177 . 4 1 1 A 25 25 ASN C C 25 173.900 174.458 -0.558 1
1 178 . 4 1 1 A 25 25 ASN CA C 25 52.800 55.356 -2.556 1
1 179 . 4 1 1 A 25 25 ASN CB C 25 39.500 37.492 2.008 1
1 181 . 4 1 1 A 25 25 ASN N N 25 119.300 115.875 3.425 1
1 183 . 4 1 1 A 26 26 ASP H H 26 8.130 8.929 -0.799 1
1 184 . 4 1 1 A 26 26 ASP HA H 26 4.660 4.762 -0.102 1
1 187 . 4 1 1 A 26 26 ASP C C 26 176.300 176.034 0.266 1
1 188 . 4 1 1 A 26 26 ASP CA C 26 53.600 53.331 0.269 1
1 189 . 4 1 1 A 26 26 ASP CB C 26 40.900 40.952 -0.052 1
1 190 . 4 1 1 A 26 26 ASP N N 26 115.800 121.536 -5.736 1
1 191 . 4 1 1 A 27 27 ALA H H 27 8.330 7.304 1.026 1
1 192 . 4 1 1 A 27 27 ALA HA H 27 4.210 4.139 0.071 1
1 196 . 4 1 1 A 27 27 ALA C C 27 178.500 176.582 1.918 1
1 197 . 4 1 1 A 27 27 ALA CA C 27 53.100 52.376 0.724 1
1 198 . 4 1 1 A 27 27 ALA CB C 27 19.200 18.806 0.394 1
1 199 . 4 1 1 A 27 27 ALA N N 27 124.500 122.609 1.891 1
1 200 . 4 1 1 A 28 28 VAL H H 28 8.310 8.433 -0.123 1
1 201 . 4 1 1 A 28 28 VAL HA H 28 4.360 4.593 -0.233 1
1 209 . 4 1 1 A 28 28 VAL CA C 28 61.000 60.184 0.816 1
1 210 . 4 1 1 A 28 28 VAL CB C 28 35.000 35.370 -0.370 1
1 213 . 4 1 1 A 28 28 VAL N N 28 124.500 123.114 1.386 1
1 214 . 4 1 1 A 29 29 ALA H H 29 8.460 8.290 0.170 1
1 215 . 4 1 1 A 29 29 ALA HA H 29 4.590 5.344 -0.754 1
1 219 . 4 1 1 A 29 29 ALA C C 29 175.800 175.577 0.223 1
1 220 . 4 1 1 A 29 29 ALA CA C 29 50.400 49.650 0.750 1
1 221 . 4 1 1 A 29 29 ALA CB C 29 20.100 21.930 -1.830 1
1 222 . 4 1 1 A 30 30 PHE H H 30 8.640 8.876 -0.236 1
1 223 . 4 1 1 A 30 30 PHE HA H 30 4.870 4.983 -0.113 1
1 231 . 4 1 1 A 30 30 PHE C C 30 175.800 175.591 0.209 1
1 232 . 4 1 1 A 30 30 PHE CA C 30 57.300 56.454 0.846 1
1 233 . 4 1 1 A 30 30 PHE CB C 30 41.600 41.486 0.114 1
1 239 . 4 1 1 A 30 30 PHE N N 30 122.100 120.127 1.973 1
1 240 . 4 1 1 A 31 31 GLU H H 31 8.670 8.511 0.159 1
1 241 . 4 1 1 A 31 31 GLU HA H 31 3.530 3.843 -0.313 1
1 246 . 4 1 1 A 31 31 GLU C C 31 174.700 175.084 -0.384 1
1 247 . 4 1 1 A 31 31 GLU CA C 31 57.200 57.305 -0.105 1
1 248 . 4 1 1 A 31 31 GLU CB C 31 27.600 28.194 -0.594 1
1 250 . 4 1 1 A 31 31 GLU N N 31 118.900 118.909 -0.009 1
1 251 . 4 1 1 A 32 32 VAL H H 32 9.100 7.613 1.487 1
1 252 . 4 1 1 A 32 32 VAL HA H 32 3.770 4.549 -0.779 1
1 260 . 4 1 1 A 32 32 VAL C C 32 175.400 175.185 0.215 1
1 261 . 4 1 1 A 32 32 VAL CA C 32 62.900 61.181 1.719 1
1 262 . 4 1 1 A 32 32 VAL CB C 32 32.200 32.508 -0.308 1
1 265 . 4 1 1 A 32 32 VAL N N 32 122.300 118.366 3.934 1
1 266 . 4 1 1 A 33 33 LYS H H 33 8.330 8.619 -0.289 1
1 267 . 4 1 1 A 33 33 LYS HA H 33 4.980 4.937 0.043 1
1 276 . 4 1 1 A 33 33 LYS C C 33 176.300 175.797 0.503 1
1 277 . 4 1 1 A 33 33 LYS CA C 33 55.700 56.446 -0.746 1
1 278 . 4 1 1 A 33 33 LYS CB C 33 33.500 32.816 0.684 1
1 282 . 4 1 1 A 33 33 LYS N N 33 128.300 128.186 0.114 1
1 283 . 4 1 1 A 34 34 LEU H H 34 9.140 8.466 0.674 1
1 284 . 4 1 1 A 34 34 LEU HA H 34 4.750 5.042 -0.292 1
1 294 . 4 1 1 A 34 34 LEU C C 34 175.000 176.059 -1.059 1
1 295 . 4 1 1 A 34 34 LEU CA C 34 52.900 53.440 -0.540 1
1 296 . 4 1 1 A 34 34 LEU CB C 34 46.700 45.829 0.871 1
1 300 . 4 1 1 A 34 34 LEU N N 34 126.700 126.380 0.320 1
1 301 . 4 1 1 A 35 35 ALA H H 35 8.650 8.887 -0.237 1
1 302 . 4 1 1 A 35 35 ALA HA H 35 4.100 4.008 0.092 1
1 306 . 4 1 1 A 35 35 ALA C C 35 178.000 177.845 0.155 1
1 307 . 4 1 1 A 35 35 ALA CA C 35 52.300 52.066 0.234 1
1 308 . 4 1 1 A 35 35 ALA CB C 35 19.100 18.853 0.247 1
1 309 . 4 1 1 A 35 35 ALA N N 35 126.600 127.215 -0.615 1
1 310 . 4 1 1 A 36 36 LYS H H 36 8.230 8.794 -0.564 1
1 311 . 4 1 1 A 36 36 LYS HA H 36 3.710 4.154 -0.444 1
1 320 . 4 1 1 A 36 36 LYS C C 36 176.000 177.445 -1.445 1
1 321 . 4 1 1 A 36 36 LYS CA C 36 59.800 58.175 1.625 1
1 322 . 4 1 1 A 36 36 LYS CB C 36 33.200 32.118 1.082 1
1 326 . 4 1 1 A 36 36 LYS N N 36 119.200 125.832 -6.632 1
1 327 . 4 1 1 A 37 37 ASP H H 37 8.060 7.873 0.187 1
1 328 . 4 1 1 A 37 37 ASP HA H 37 4.470 4.666 -0.196 1
1 331 . 4 1 1 A 37 37 ASP C C 37 176.800 176.349 0.451 1
1 332 . 4 1 1 A 37 37 ASP CA C 37 53.000 54.562 -1.562 1
1 333 . 4 1 1 A 37 37 ASP CB C 37 39.700 41.133 -1.433 1
1 334 . 4 1 1 A 37 37 ASP N N 37 112.700 117.568 -4.868 1
1 335 . 4 1 1 A 38 38 LEU H H 38 7.170 6.978 0.192 1
1 336 . 4 1 1 A 38 38 LEU HA H 38 4.280 4.209 0.071 1
1 346 . 4 1 1 A 38 38 LEU C C 38 177.600 177.377 0.223 1
1 347 . 4 1 1 A 38 38 LEU CA C 38 55.800 55.210 0.590 1
1 348 . 4 1 1 A 38 38 LEU CB C 38 43.900 42.523 1.377 1
1 352 . 4 1 1 A 38 38 LEU N N 38 122.100 121.521 0.579 1
1 353 . 4 1 1 A 39 39 THR H H 39 8.430 8.587 -0.157 1
1 354 . 4 1 1 A 39 39 THR HA H 39 5.010 4.784 0.226 1
1 360 . 4 1 1 A 39 39 THR C C 39 176.500 176.258 0.242 1
1 361 . 4 1 1 A 39 39 THR CA C 39 60.900 60.506 0.394 1
1 362 . 4 1 1 A 39 39 THR CB C 39 71.200 71.237 -0.037 1
1 364 . 4 1 1 A 39 39 THR N N 39 112.800 115.061 -2.261 1
1 365 . 4 1 1 A 40 40 VAL H H 40 8.740 8.537 0.203 1
1 366 . 4 1 1 A 40 40 VAL HA H 40 3.530 3.692 -0.162 1
1 374 . 4 1 1 A 40 40 VAL C C 40 178.200 177.403 0.797 1
1 375 . 4 1 1 A 40 40 VAL CA C 40 67.300 66.779 0.521 1
1 376 . 4 1 1 A 40 40 VAL CB C 40 31.600 31.738 -0.138 1
1 379 . 4 1 1 A 40 40 VAL N N 40 123.600 122.298 1.302 1
1 380 . 4 1 1 A 41 41 ALA H H 41 8.520 8.182 0.338 1
1 381 . 4 1 1 A 41 41 ALA HA H 41 3.950 3.941 0.009 1
1 385 . 4 1 1 A 41 41 ALA C C 41 180.700 179.925 0.775 1
1 386 . 4 1 1 A 41 41 ALA CA C 41 56.100 55.530 0.570 1
1 387 . 4 1 1 A 41 41 ALA CB C 41 18.800 17.991 0.809 1
1 388 . 4 1 1 A 41 41 ALA N N 41 121.400 121.960 -0.560 1
1 389 . 4 1 1 A 42 42 GLN H H 42 7.740 7.934 -0.194 1
1 390 . 4 1 1 A 42 42 GLN HA H 42 4.060 4.043 0.017 1
1 397 . 4 1 1 A 42 42 GLN C C 42 180.300 178.654 1.646 1
1 398 . 4 1 1 A 42 42 GLN CA C 42 58.600 58.805 -0.205 1
1 399 . 4 1 1 A 42 42 GLN CB C 42 29.200 28.574 0.626 1
1 402 . 4 1 1 A 42 42 GLN N N 42 117.500 118.236 -0.736 1
1 404 . 4 1 1 A 43 43 LEU H H 43 9.210 7.846 1.364 1
1 405 . 4 1 1 A 43 43 LEU HA H 43 3.940 4.126 -0.186 1
1 415 . 4 1 1 A 43 43 LEU C C 43 178.300 178.587 -0.287 1
1 416 . 4 1 1 A 43 43 LEU CA C 43 57.900 57.714 0.186 1
1 417 . 4 1 1 A 43 43 LEU CB C 43 41.300 41.989 -0.689 1
1 421 . 4 1 1 A 43 43 LEU N N 43 123.000 121.965 1.035 1
1 422 . 4 1 1 A 44 44 LYS H H 44 8.740 7.855 0.885 1
1 423 . 4 1 1 A 44 44 LYS HA H 44 3.860 3.952 -0.092 1
1 432 . 4 1 1 A 44 44 LYS C C 44 178.300 179.493 -1.193 1
1 433 . 4 1 1 A 44 44 LYS CA C 44 61.100 59.403 1.697 1
1 434 . 4 1 1 A 44 44 LYS CB C 44 32.800 32.246 0.554 1
1 438 . 4 1 1 A 44 44 LYS N N 44 119.300 119.773 -0.473 1
1 439 . 4 1 1 A 45 45 THR H H 45 7.440 7.836 -0.396 1
1 440 . 4 1 1 A 45 45 THR HA H 45 3.930 3.960 -0.030 1
1 445 . 4 1 1 A 45 45 THR C C 45 176.700 177.005 -0.305 1
1 446 . 4 1 1 A 45 45 THR CA C 45 67.100 65.802 1.298 1
1 447 . 4 1 1 A 45 45 THR CB C 45 68.800 68.509 0.291 1
1 449 . 4 1 1 A 45 45 THR N N 45 114.000 113.576 0.424 1
1 450 . 4 1 1 A 46 46 LYS H H 46 7.500 7.720 -0.220 1
1 451 . 4 1 1 A 46 46 LYS HA H 46 4.100 4.007 0.093 1
1 460 . 4 1 1 A 46 46 LYS C C 46 179.700 179.646 0.054 1
1 461 . 4 1 1 A 46 46 LYS CA C 46 59.400 59.815 -0.415 1
1 462 . 4 1 1 A 46 46 LYS CB C 46 32.100 32.329 -0.229 1
1 466 . 4 1 1 A 46 46 LYS N N 46 121.700 122.404 -0.704 1
1 467 . 4 1 1 A 47 47 LEU H H 47 9.010 8.359 0.651 1
1 468 . 4 1 1 A 47 47 LEU HA H 47 4.040 3.968 0.072 1
1 478 . 4 1 1 A 47 47 LEU C C 47 180.000 178.760 1.240 1
1 479 . 4 1 1 A 47 47 LEU CA C 47 57.200 57.926 -0.726 1
1 480 . 4 1 1 A 47 47 LEU CB C 47 40.700 41.276 -0.576 1
1 484 . 4 1 1 A 47 47 LEU N N 47 118.000 119.585 -1.585 1
1 485 . 4 1 1 A 48 48 GLU H H 48 8.450 8.732 -0.282 1
1 486 . 4 1 1 A 48 48 GLU HA H 48 4.050 3.947 0.103 1
1 491 . 4 1 1 A 48 48 GLU C C 48 178.800 179.223 -0.423 1
1 492 . 4 1 1 A 48 48 GLU CA C 48 59.700 59.476 0.224 1
1 493 . 4 1 1 A 48 48 GLU CB C 48 29.400 29.386 0.014 1
1 495 . 4 1 1 A 48 48 GLU N N 48 126.300 119.987 6.313 1
1 496 . 4 1 1 A 49 49 ILE H H 49 7.180 7.497 -0.317 1
1 497 . 4 1 1 A 49 49 ILE HA H 49 3.780 3.688 0.092 1
1 507 . 4 1 1 A 49 49 ILE C C 49 178.000 178.298 -0.298 1
1 508 . 4 1 1 A 49 49 ILE CA C 49 64.000 65.211 -1.211 1
1 509 . 4 1 1 A 49 49 ILE CB C 49 38.100 37.791 0.309 1
1 513 . 4 1 1 A 49 49 ILE N N 49 119.600 120.219 -0.619 1
1 514 . 4 1 1 A 50 50 LEU H H 50 7.520 7.910 -0.390 1
1 515 . 4 1 1 A 50 50 LEU HA H 50 4.160 3.943 0.217 1
1 525 . 4 1 1 A 50 50 LEU C C 50 178.400 178.540 -0.140 1
1 526 . 4 1 1 A 50 50 LEU CA C 50 57.500 58.102 -0.602 1
1 527 . 4 1 1 A 50 50 LEU CB C 50 44.300 41.717 2.583 1
1 531 . 4 1 1 A 50 50 LEU N N 50 116.800 121.380 -4.580 1
1 532 . 4 1 1 A 51 51 THR H H 51 8.160 8.405 -0.245 1
1 533 . 4 1 1 A 51 51 THR HA H 51 4.490 4.439 0.051 1
1 538 . 4 1 1 A 51 51 THR C C 51 175.600 175.820 -0.220 1
1 539 . 4 1 1 A 51 51 THR CA C 51 62.400 62.323 0.077 1
1 540 . 4 1 1 A 51 51 THR CB C 51 72.900 70.702 2.198 1
1 542 . 4 1 1 A 51 51 THR N N 51 104.100 107.203 -3.103 1
1 543 . 4 1 1 A 52 52 GLY H H 52 8.080 8.436 -0.356 1
1 544 . 4 1 1 A 52 52 GLY HA2 H 52 3.830 3.956 -0.126 1
1 545 . 4 1 1 A 52 52 GLY HA3 H 52 4.250 3.957 0.293 1
1 546 . 4 1 1 A 52 52 GLY C C 52 174.800 174.730 0.070 1
1 547 . 4 1 1 A 52 52 GLY CA C 52 45.500 46.114 -0.614 1
1 548 . 4 1 1 A 52 52 GLY N N 52 112.100 112.090 0.010 1
1 549 . 4 1 1 A 53 53 GLY H H 53 7.880 7.655 0.225 1
1 550 . 4 1 1 A 53 53 GLY HA2 H 53 3.220 3.971 -0.751 1
1 551 . 4 1 1 A 53 53 GLY HA3 H 53 4.040 3.972 0.068 1
1 552 . 4 1 1 A 53 53 GLY C C 53 170.900 173.174 -2.274 1
1 553 . 4 1 1 A 53 53 GLY CA C 53 44.300 44.000 0.300 1
1 554 . 4 1 1 A 53 53 GLY N N 53 107.000 107.769 -0.769 1
1 555 . 4 1 1 A 54 54 CYS H H 54 8.690 8.415 0.275 1
1 556 . 4 1 1 A 54 54 CYS HA H 54 4.430 5.304 -0.874 1
1 559 . 4 1 1 A 54 54 CYS C C 54 176.100 175.420 0.680 1
1 560 . 4 1 1 A 54 54 CYS CA C 54 57.900 57.943 -0.043 1
1 561 . 4 1 1 A 54 54 CYS CB C 54 27.800 30.303 -2.503 1
1 562 . 4 1 1 A 54 54 CYS N N 54 120.200 119.674 0.526 1
1 563 . 4 1 1 A 55 55 ALA H H 55 10.100 9.054 1.046 1
1 564 . 4 1 1 A 55 55 ALA HA H 55 3.890 3.953 -0.063 1
1 568 . 4 1 1 A 55 55 ALA C C 55 178.900 178.601 0.299 1
1 569 . 4 1 1 A 55 55 ALA CA C 55 55.700 55.255 0.445 1
1 570 . 4 1 1 A 55 55 ALA CB C 55 18.500 18.405 0.095 1
1 571 . 4 1 1 A 55 55 ALA N N 55 133.900 129.152 4.748 1
1 572 . 4 1 1 A 56 56 GLY H H 56 8.380 8.415 -0.035 1
1 573 . 4 1 1 A 56 56 GLY HA2 H 56 3.910 3.925 -0.015 1
1 574 . 4 1 1 A 56 56 GLY HA3 H 56 3.910 3.925 -0.015 1
1 575 . 4 1 1 A 56 56 GLY C C 56 174.600 174.918 -0.318 1
1 576 . 4 1 1 A 56 56 GLY CA C 56 45.900 45.588 0.312 1
1 577 . 4 1 1 A 56 56 GLY N N 56 104.300 105.555 -1.255 1
1 578 . 4 1 1 A 57 57 THR H H 57 7.310 8.603 -1.293 1
1 579 . 4 1 1 A 57 57 THR HA H 57 4.520 4.566 -0.046 1
1 584 . 4 1 1 A 57 57 THR C C 57 175.500 174.743 0.757 1
1 585 . 4 1 1 A 57 57 THR CA C 57 61.400 62.356 -0.956 1
1 586 . 4 1 1 A 57 57 THR CB C 57 69.900 70.343 -0.443 1
1 588 . 4 1 1 A 57 57 THR N N 57 107.700 109.828 -2.128 1
1 589 . 4 1 1 A 58 58 MET H H 58 7.910 7.596 0.314 1
1 590 . 4 1 1 A 58 58 MET HA H 58 4.540 4.652 -0.112 1
1 598 . 4 1 1 A 58 58 MET C C 58 175.100 175.918 -0.818 1
1 599 . 4 1 1 A 58 58 MET CA C 58 56.900 55.745 1.155 1
1 600 . 4 1 1 A 58 58 MET CB C 58 33.700 32.863 0.837 1
1 603 . 4 1 1 A 58 58 MET N N 58 120.700 121.401 -0.701 1
1 604 . 4 1 1 A 59 59 LYS H H 59 8.780 8.282 0.498 1
1 605 . 4 1 1 A 59 59 LYS HA H 59 4.610 4.939 -0.329 1
1 614 . 4 1 1 A 59 59 LYS C C 59 174.500 175.251 -0.751 1
1 615 . 4 1 1 A 59 59 LYS CA C 59 54.500 54.751 -0.251 1
1 616 . 4 1 1 A 59 59 LYS CB C 59 34.700 35.631 -0.931 1
1 620 . 4 1 1 A 59 59 LYS N N 59 122.400 121.640 0.760 1
1 621 . 4 1 1 A 60 60 VAL H H 60 8.740 8.575 0.165 1
1 622 . 4 1 1 A 60 60 VAL HA H 60 4.700 4.984 -0.284 1
1 630 . 4 1 1 A 60 60 VAL C C 60 175.000 175.045 -0.045 1
1 631 . 4 1 1 A 60 60 VAL CA C 60 61.300 60.890 0.410 1
1 632 . 4 1 1 A 60 60 VAL CB C 60 33.400 33.693 -0.293 1
1 635 . 4 1 1 A 60 60 VAL N N 60 122.100 121.942 0.158 1
1 636 . 4 1 1 A 61 61 GLN H H 61 9.250 8.596 0.654 1
1 637 . 4 1 1 A 61 61 GLN HA H 61 4.790 4.914 -0.124 1
1 644 . 4 1 1 A 61 61 GLN C C 61 174.700 174.183 0.517 1
1 645 . 4 1 1 A 61 61 GLN CA C 61 54.200 54.019 0.181 1
1 646 . 4 1 1 A 61 61 GLN CB C 61 32.800 33.248 -0.448 1
1 649 . 4 1 1 A 61 61 GLN N N 61 126.400 125.201 1.199 1
1 651 . 4 1 1 A 62 62 VAL H H 62 8.690 8.439 0.251 1
1 652 . 4 1 1 A 62 62 VAL HA H 62 4.650 4.762 -0.112 1
1 660 . 4 1 1 A 62 62 VAL C C 62 174.700 174.756 -0.056 1
1 661 . 4 1 1 A 62 62 VAL CA C 62 61.800 61.219 0.581 1
1 662 . 4 1 1 A 62 62 VAL CB C 62 32.500 33.110 -0.610 1
1 665 . 4 1 1 A 62 62 VAL N N 62 121.700 122.627 -0.927 1
1 666 . 4 1 1 A 63 63 PHE H H 63 10.020 9.491 0.529 1
1 667 . 4 1 1 A 63 63 PHE HA H 63 5.170 5.191 -0.021 1
1 675 . 4 1 1 A 63 63 PHE C C 63 175.100 174.580 0.520 1
1 676 . 4 1 1 A 63 63 PHE CA C 63 56.800 55.878 0.922 1
1 677 . 4 1 1 A 63 63 PHE CB C 63 42.900 43.707 -0.807 1
1 683 . 4 1 1 A 63 63 PHE N N 63 127.100 125.919 1.181 1
1 684 . 4 1 1 A 64 64 LYS H H 64 8.710 8.520 0.190 1
1 685 . 4 1 1 A 64 64 LYS HA H 64 4.650 4.635 0.015 1
1 694 . 4 1 1 A 64 64 LYS C C 64 176.900 176.591 0.309 1
1 695 . 4 1 1 A 64 64 LYS CA C 64 55.100 54.932 0.168 1
1 696 . 4 1 1 A 64 64 LYS CB C 64 34.100 33.438 0.662 1
1 700 . 4 1 1 A 64 64 LYS N N 64 123.900 123.443 0.457 1
1 701 . 4 1 1 A 65 65 GLY H H 65 9.160 8.975 0.185 1
1 702 . 4 1 1 A 65 65 GLY HA2 H 65 3.680 3.869 -0.189 1
1 703 . 4 1 1 A 65 65 GLY HA3 H 65 4.050 3.872 0.178 1
1 704 . 4 1 1 A 65 65 GLY C C 65 174.600 174.521 0.079 1
1 705 . 4 1 1 A 65 65 GLY CA C 65 47.200 46.712 0.488 1
1 706 . 4 1 1 A 65 65 GLY N N 65 118.800 115.085 3.715 1
1 707 . 4 1 1 A 66 66 ASP H H 66 8.760 8.693 0.067 1
1 708 . 4 1 1 A 66 66 ASP HA H 66 4.700 4.768 -0.068 1
1 711 . 4 1 1 A 66 66 ASP C C 66 176.000 174.850 1.150 1
1 712 . 4 1 1 A 66 66 ASP CA C 66 54.300 54.158 0.142 1
1 713 . 4 1 1 A 66 66 ASP CB C 66 41.300 41.242 0.058 1
1 714 . 4 1 1 A 66 66 ASP N N 66 126.400 126.720 -0.320 1
1 715 . 4 1 1 A 67 67 THR H H 67 8.020 7.607 0.413 1
1 716 . 4 1 1 A 67 67 THR HA H 67 4.300 4.948 -0.648 1
1 721 . 4 1 1 A 67 67 THR C C 67 172.100 173.564 -1.464 1
1 722 . 4 1 1 A 67 67 THR CA C 67 62.400 61.375 1.025 1
1 723 . 4 1 1 A 67 67 THR CB C 67 70.700 71.188 -0.488 1
1 725 . 4 1 1 A 67 67 THR N N 67 117.500 115.222 2.278 1
1 726 . 4 1 1 A 68 68 CYS H H 68 8.940 8.897 0.043 1
1 727 . 4 1 1 A 68 68 CYS HA H 68 3.400 4.304 -0.904 1
1 730 . 4 1 1 A 68 68 CYS C C 68 174.900 175.006 -0.106 1
1 731 . 4 1 1 A 68 68 CYS CA C 68 58.700 58.742 -0.042 1
1 732 . 4 1 1 A 68 68 CYS CB C 68 25.600 27.292 -1.692 1
1 733 . 4 1 1 A 68 68 CYS N N 68 129.500 125.192 4.308 1
1 734 . 4 1 1 A 69 69 VAL H H 69 9.090 8.269 0.821 1
1 735 . 4 1 1 A 69 69 VAL HA H 69 4.150 3.847 0.303 1
1 743 . 4 1 1 A 69 69 VAL C C 69 176.300 175.367 0.933 1
1 744 . 4 1 1 A 69 69 VAL CA C 69 62.900 64.401 -1.501 1
1 745 . 4 1 1 A 69 69 VAL CB C 69 32.800 32.007 0.793 1
1 748 . 4 1 1 A 69 69 VAL N N 69 127.500 125.954 1.546 1
1 749 . 4 1 1 A 70 70 SER H H 70 7.640 7.025 0.615 1
1 750 . 4 1 1 A 70 70 SER HA H 70 4.550 4.690 -0.140 1
1 753 . 4 1 1 A 70 70 SER C C 70 172.300 171.782 0.518 1
1 754 . 4 1 1 A 70 70 SER CA C 70 58.700 57.791 0.909 1
1 755 . 4 1 1 A 70 70 SER CB C 70 65.100 66.526 -1.426 1
1 756 . 4 1 1 A 70 70 SER N N 70 113.400 112.498 0.902 1
1 757 . 4 1 1 A 71 71 THR H H 71 8.220 8.531 -0.311 1
1 758 . 4 1 1 A 71 71 THR HA H 71 4.580 4.736 -0.156 1
1 763 . 4 1 1 A 71 71 THR C C 71 174.000 174.431 -0.431 1
1 764 . 4 1 1 A 71 71 THR CA C 71 61.800 61.090 0.710 1
1 765 . 4 1 1 A 71 71 THR CB C 71 70.500 70.979 -0.479 1
1 767 . 4 1 1 A 71 71 THR N N 71 114.500 115.845 -1.345 1
1 768 . 4 1 1 A 72 72 MET H H 72 8.260 8.829 -0.569 1
1 769 . 4 1 1 A 72 72 MET HA H 72 2.990 3.695 -0.705 1
1 777 . 4 1 1 A 72 72 MET C C 72 175.700 175.453 0.247 1
1 778 . 4 1 1 A 72 72 MET CA C 72 55.100 54.204 0.896 1
1 779 . 4 1 1 A 72 72 MET CB C 72 30.200 30.271 -0.071 1
1 782 . 4 1 1 A 72 72 MET N N 72 121.800 125.594 -3.794 1
1 783 . 4 1 1 A 73 73 ASP H H 73 7.830 8.518 -0.688 1
1 784 . 4 1 1 A 73 73 ASP HA H 73 4.370 4.372 -0.002 1
1 787 . 4 1 1 A 73 73 ASP C C 73 175.100 177.146 -2.046 1
1 788 . 4 1 1 A 73 73 ASP CA C 73 55.800 56.716 -0.916 1
1 789 . 4 1 1 A 73 73 ASP CB C 73 41.800 40.848 0.952 1
1 790 . 4 1 1 A 73 73 ASP N N 73 125.100 124.595 0.505 1
1 791 . 4 1 1 A 74 74 ASN H H 74 7.480 7.725 -0.245 1
1 792 . 4 1 1 A 74 74 ASN HA H 74 4.890 4.918 -0.028 1
1 797 . 4 1 1 A 74 74 ASN C C 74 175.800 176.050 -0.250 1
1 798 . 4 1 1 A 74 74 ASN CA C 74 51.600 52.906 -1.306 1
1 799 . 4 1 1 A 74 74 ASN CB C 74 38.800 38.051 0.749 1
1 801 . 4 1 1 A 74 74 ASN N N 74 116.400 117.597 -1.197 1
1 803 . 4 1 1 A 75 75 ASN H H 75 8.870 8.947 -0.077 1
1 804 . 4 1 1 A 75 75 ASN HA H 75 4.390 4.578 -0.188 1
1 809 . 4 1 1 A 75 75 ASN C C 75 175.700 175.402 0.298 1
1 810 . 4 1 1 A 75 75 ASN CA C 75 55.600 54.811 0.789 1
1 811 . 4 1 1 A 75 75 ASN CB C 75 39.200 37.535 1.665 1
1 813 . 4 1 1 A 75 75 ASN N N 75 123.600 123.362 0.238 1
1 815 . 4 1 1 A 76 76 ASP H H 76 8.060 8.305 -0.245 1
1 816 . 4 1 1 A 76 76 ASP HA H 76 4.750 4.647 0.103 1
1 819 . 4 1 1 A 76 76 ASP C C 76 176.200 176.045 0.155 1
1 820 . 4 1 1 A 76 76 ASP CA C 76 54.200 53.407 0.793 1
1 821 . 4 1 1 A 76 76 ASP CB C 76 41.700 40.083 1.617 1
1 822 . 4 1 1 A 76 76 ASP N N 76 115.100 117.324 -2.224 1
1 823 . 4 1 1 A 77 77 ALA H H 77 7.140 7.174 -0.034 1
1 824 . 4 1 1 A 77 77 ALA HA H 77 4.160 4.214 -0.054 1
1 828 . 4 1 1 A 77 77 ALA C C 77 176.100 177.246 -1.146 1
1 829 . 4 1 1 A 77 77 ALA CA C 77 51.400 52.037 -0.637 1
1 830 . 4 1 1 A 77 77 ALA CB C 77 20.100 20.133 -0.033 1
1 831 . 4 1 1 A 77 77 ALA N N 77 122.600 123.200 -0.600 1
1 832 . 4 1 1 A 78 78 GLN H H 78 8.090 8.999 -0.909 1
1 833 . 4 1 1 A 78 78 GLN HA H 78 4.750 4.462 0.288 1
1 840 . 4 1 1 A 78 78 GLN C C 78 177.900 177.659 0.241 1
1 841 . 4 1 1 A 78 78 GLN CA C 78 55.200 55.273 -0.073 1
1 842 . 4 1 1 A 78 78 GLN CB C 78 29.500 29.504 -0.004 1
1 845 . 4 1 1 A 78 78 GLN N N 78 116.500 120.268 -3.768 1
1 847 . 4 1 1 A 79 79 LEU H H 79 9.380 9.230 0.150 1
1 848 . 4 1 1 A 79 79 LEU HA H 79 4.060 4.213 -0.153 1
1 858 . 4 1 1 A 79 79 LEU C C 79 179.200 179.223 -0.023 1
1 859 . 4 1 1 A 79 79 LEU CA C 79 58.900 58.025 0.875 1
1 860 . 4 1 1 A 79 79 LEU CB C 79 42.000 41.517 0.483 1
1 864 . 4 1 1 A 79 79 LEU N N 79 123.800 126.417 -2.617 1
1 865 . 4 1 1 A 80 80 GLY H H 80 9.130 8.004 1.126 1
1 866 . 4 1 1 A 80 80 GLY HA2 H 80 3.750 3.937 -0.187 1
1 867 . 4 1 1 A 80 80 GLY HA3 H 80 4.160 3.959 0.201 1
1 868 . 4 1 1 A 80 80 GLY C C 80 174.100 175.118 -1.018 1
1 869 . 4 1 1 A 80 80 GLY CA C 80 45.600 46.250 -0.650 1
1 870 . 4 1 1 A 80 80 GLY N N 80 104.000 106.220 -2.220 1
1 871 . 4 1 1 A 81 81 TYR H H 81 7.900 8.038 -0.138 1
1 872 . 4 1 1 A 81 81 TYR HA H 81 4.000 3.939 0.061 1
1 879 . 4 1 1 A 81 81 TYR C C 81 176.300 176.774 -0.474 1
1 880 . 4 1 1 A 81 81 TYR CA C 81 60.600 60.807 -0.207 1
1 881 . 4 1 1 A 81 81 TYR CB C 81 38.700 38.328 0.372 1
1 886 . 4 1 1 A 81 81 TYR N N 81 120.300 122.533 -2.233 1
1 887 . 4 1 1 A 82 82 TYR H H 82 7.430 7.866 -0.436 1
1 888 . 4 1 1 A 82 82 TYR HA H 82 4.340 4.667 -0.327 1
1 895 . 4 1 1 A 82 82 TYR C C 82 175.500 176.533 -1.033 1
1 896 . 4 1 1 A 82 82 TYR CA C 82 58.700 59.003 -0.303 1
1 897 . 4 1 1 A 82 82 TYR CB C 82 41.500 40.384 1.116 1
1 902 . 4 1 1 A 82 82 TYR N N 82 114.000 114.715 -0.715 1
1 903 . 4 1 1 A 83 83 ALA H H 83 8.430 7.516 0.914 1
1 904 . 4 1 1 A 83 83 ALA HA H 83 4.380 4.512 -0.132 1
1 908 . 4 1 1 A 83 83 ALA C C 83 173.400 177.733 -4.333 1
1 909 . 4 1 1 A 83 83 ALA CA C 83 51.000 50.673 0.327 1
1 910 . 4 1 1 A 83 83 ALA CB C 83 19.500 18.107 1.393 1
1 911 . 4 1 1 A 83 83 ALA N N 83 122.900 121.444 1.456 1
1 912 . 4 1 1 A 84 84 ASN H H 84 8.050 8.549 -0.499 1
1 913 . 4 1 1 A 84 84 ASN HA H 84 4.760 4.776 -0.016 1
1 918 . 4 1 1 A 84 84 ASN C C 84 174.600 174.354 0.246 1
1 919 . 4 1 1 A 84 84 ASN CA C 84 52.200 52.775 -0.575 1
1 920 . 4 1 1 A 84 84 ASN CB C 84 39.300 38.116 1.184 1
1 922 . 4 1 1 A 84 84 ASN N N 84 117.300 119.222 -1.922 1
1 924 . 4 1 1 A 85 85 SER H H 85 7.180 7.697 -0.517 1
1 925 . 4 1 1 A 85 85 SER HA H 85 4.670 4.855 -0.185 1
1 928 . 4 1 1 A 85 85 SER C C 85 172.000 173.328 -1.328 1
1 929 . 4 1 1 A 85 85 SER CA C 85 56.900 57.778 -0.878 1
1 930 . 4 1 1 A 85 85 SER CB C 85 66.000 67.103 -1.103 1
1 931 . 4 1 1 A 85 85 SER N N 85 112.200 114.151 -1.951 1
1 932 . 4 1 1 A 86 86 ASP H H 86 8.320 8.826 -0.506 1
1 933 . 4 1 1 A 86 86 ASP HA H 86 4.920 4.856 0.064 1
1 936 . 4 1 1 A 86 86 ASP C C 86 178.100 176.563 1.537 1
1 937 . 4 1 1 A 86 86 ASP CA C 86 55.000 53.441 1.559 1
1 938 . 4 1 1 A 86 86 ASP CB C 86 42.000 41.873 0.127 1
1 939 . 4 1 1 A 86 86 ASP N N 86 119.100 123.726 -4.626 1
1 940 . 4 1 1 A 87 87 GLY H H 87 8.910 8.583 0.327 1
1 941 . 4 1 1 A 87 87 GLY HA2 H 87 3.850 3.994 -0.144 1
1 942 . 4 1 1 A 87 87 GLY HA3 H 87 4.110 4.001 0.109 1
1 943 . 4 1 1 A 87 87 GLY C C 87 175.400 174.231 1.169 1
1 944 . 4 1 1 A 87 87 GLY CA C 87 46.100 45.232 0.868 1
1 945 . 4 1 1 A 87 87 GLY N N 87 107.900 110.319 -2.419 1
1 946 . 4 1 1 A 88 88 LEU H H 88 8.290 7.810 0.480 1
1 947 . 4 1 1 A 88 88 LEU HA H 88 4.740 4.455 0.285 1
1 957 . 4 1 1 A 88 88 LEU C C 88 175.000 176.109 -1.109 1
1 958 . 4 1 1 A 88 88 LEU CA C 88 54.500 54.656 -0.156 1
1 959 . 4 1 1 A 88 88 LEU CB C 88 43.200 42.651 0.549 1
1 963 . 4 1 1 A 88 88 LEU N N 88 120.300 123.172 -2.872 1
1 964 . 4 1 1 A 89 89 ARG H H 89 8.880 8.717 0.163 1
1 965 . 4 1 1 A 89 89 ARG HA H 89 5.300 5.224 0.076 1
1 973 . 4 1 1 A 89 89 ARG C C 89 174.900 174.470 0.430 1
1 974 . 4 1 1 A 89 89 ARG CA C 89 53.600 54.743 -1.143 1
1 975 . 4 1 1 A 89 89 ARG CB C 89 34.300 33.623 0.677 1
1 979 . 4 1 1 A 89 89 ARG N N 89 121.200 123.051 -1.851 1
1 981 . 4 1 1 A 90 90 LEU H H 90 9.250 9.451 -0.201 1
1 982 . 4 1 1 A 90 90 LEU HA H 90 5.270 5.312 -0.042 1
1 992 . 4 1 1 A 90 90 LEU C C 90 173.700 175.306 -1.606 1
1 993 . 4 1 1 A 90 90 LEU CA C 90 52.900 53.555 -0.655 1
1 994 . 4 1 1 A 90 90 LEU CB C 90 42.000 43.599 -1.599 1
1 998 . 4 1 1 A 90 90 LEU N N 90 125.500 128.083 -2.583 1
1 999 . 4 1 1 A 91 91 HIS H H 91 9.600 8.958 0.642 1
1 1000 . 4 1 1 A 91 91 HIS HA H 91 5.280 5.493 -0.213 1
1 1005 . 4 1 1 A 91 91 HIS C C 91 174.300 173.255 1.045 1
1 1006 . 4 1 1 A 91 91 HIS CA C 91 54.500 53.617 0.883 1
1 1007 . 4 1 1 A 91 91 HIS CB C 91 35.200 32.792 2.408 1
1 1010 . 4 1 1 A 91 91 HIS N N 91 124.800 124.818 -0.018 1
1 1013 . 4 1 1 A 92 92 VAL H H 92 8.300 8.351 -0.051 1
1 1014 . 4 1 1 A 92 92 VAL HA H 92 4.110 4.739 -0.629 1
1 1022 . 4 1 1 A 92 92 VAL C C 92 174.200 174.384 -0.184 1
1 1023 . 4 1 1 A 92 92 VAL CA C 92 62.900 61.041 1.859 1
1 1024 . 4 1 1 A 92 92 VAL CB C 92 32.600 33.597 -0.997 1
1 1027 . 4 1 1 A 92 92 VAL N N 92 128.400 126.618 1.782 1
1 1028 . 4 1 1 A 93 93 VAL H H 93 8.950 8.464 0.486 1
1 1029 . 4 1 1 A 93 93 VAL HA H 93 4.170 4.664 -0.494 1
1 1037 . 4 1 1 A 93 93 VAL C C 93 175.600 174.386 1.214 1
1 1038 . 4 1 1 A 93 93 VAL CA C 93 61.100 61.333 -0.233 1
1 1039 . 4 1 1 A 93 93 VAL CB C 93 33.300 32.979 0.321 1
1 1042 . 4 1 1 A 93 93 VAL N N 93 127.800 128.205 -0.405 1
1 1043 . 4 1 1 A 94 94 ASP H H 94 8.280 9.219 -0.939 1
1 1044 . 4 1 1 A 94 94 ASP HA H 94 4.850 5.489 -0.639 1
1 1047 . 4 1 1 A 94 94 ASP C C 94 174.700 174.371 0.329 1
1 1048 . 4 1 1 A 94 94 ASP CA C 94 53.800 52.503 1.297 1
1 1049 . 4 1 1 A 94 94 ASP CB C 94 42.500 42.271 0.229 1
1 1050 . 4 1 1 A 94 94 ASP N N 94 127.100 126.996 0.104 1
1 1 . 5 1 1 A 11 11 GLY C C 11 174.100 173.495 0.605 1
1 2 . 5 1 1 A 11 11 GLY CA C 11 45.300 45.208 0.092 1
1 3 . 5 1 1 A 12 12 LYS H H 12 8.180 8.634 -0.454 1
1 4 . 5 1 1 A 12 12 LYS HA H 12 4.320 4.463 -0.143 1
1 13 . 5 1 1 A 12 12 LYS C C 12 176.700 176.449 0.251 1
1 14 . 5 1 1 A 12 12 LYS CA C 12 56.400 56.482 -0.082 1
1 15 . 5 1 1 A 12 12 LYS CB C 12 33.200 33.108 0.092 1
1 19 . 5 1 1 A 12 12 LYS N N 12 120.600 123.939 -3.339 1
1 20 . 5 1 1 A 13 13 SER H H 13 8.360 9.100 -0.740 1
1 21 . 5 1 1 A 13 13 SER HA H 13 4.450 4.372 0.078 1
1 24 . 5 1 1 A 13 13 SER C C 13 173.800 173.812 -0.012 1
1 25 . 5 1 1 A 13 13 SER CA C 13 58.000 59.022 -1.022 1
1 26 . 5 1 1 A 13 13 SER CB C 13 63.900 60.932 2.968 1
1 27 . 5 1 1 A 13 13 SER N N 13 116.300 117.081 -0.781 1
1 28 . 5 1 1 A 14 14 ASP H H 14 8.450 8.278 0.172 1
1 29 . 5 1 1 A 14 14 ASP HA H 14 4.670 4.640 0.030 1
1 32 . 5 1 1 A 14 14 ASP C C 14 175.100 174.057 1.043 1
1 33 . 5 1 1 A 14 14 ASP CA C 14 54.400 53.393 1.007 1
1 34 . 5 1 1 A 14 14 ASP CB C 14 41.500 41.832 -0.332 1
1 35 . 5 1 1 A 14 14 ASP N N 14 122.400 123.427 -1.027 1
1 36 . 5 1 1 A 15 15 PHE H H 15 8.110 7.635 0.475 1
1 37 . 5 1 1 A 15 15 PHE HA H 15 5.290 5.480 -0.190 1
1 45 . 5 1 1 A 15 15 PHE C C 15 175.000 175.088 -0.088 1
1 46 . 5 1 1 A 15 15 PHE CA C 15 56.600 56.429 0.171 1
1 47 . 5 1 1 A 15 15 PHE CB C 15 42.600 43.485 -0.885 1
1 53 . 5 1 1 A 15 15 PHE N N 15 118.500 118.148 0.352 1
1 54 . 5 1 1 A 16 16 ILE H H 16 9.160 8.812 0.348 1
1 55 . 5 1 1 A 16 16 ILE HA H 16 4.710 5.074 -0.364 1
1 65 . 5 1 1 A 16 16 ILE C C 16 173.400 174.326 -0.926 1
1 66 . 5 1 1 A 16 16 ILE CA C 16 59.300 58.914 0.386 1
1 67 . 5 1 1 A 16 16 ILE CB C 16 42.100 41.563 0.537 1
1 71 . 5 1 1 A 16 16 ILE N N 16 116.700 117.035 -0.335 1
1 72 . 5 1 1 A 17 17 LYS H H 17 8.530 8.668 -0.138 1
1 73 . 5 1 1 A 17 17 LYS HA H 17 5.220 5.010 0.210 1
1 82 . 5 1 1 A 17 17 LYS C C 17 176.400 175.757 0.643 1
1 83 . 5 1 1 A 17 17 LYS CA C 17 54.900 55.438 -0.538 1
1 84 . 5 1 1 A 17 17 LYS CB C 17 34.100 33.514 0.586 1
1 88 . 5 1 1 A 17 17 LYS N N 17 123.200 123.114 0.086 1
1 89 . 5 1 1 A 18 18 VAL H H 18 8.900 8.944 -0.044 1
1 90 . 5 1 1 A 18 18 VAL HA H 18 4.990 4.974 0.016 1
1 98 . 5 1 1 A 18 18 VAL C C 18 174.300 174.468 -0.168 1
1 99 . 5 1 1 A 18 18 VAL CA C 18 58.600 58.644 -0.044 1
1 100 . 5 1 1 A 18 18 VAL CB C 18 35.600 35.853 -0.253 1
1 103 . 5 1 1 A 18 18 VAL N N 18 117.500 117.665 -0.165 1
1 104 . 5 1 1 A 19 19 ASN H H 19 7.830 8.379 -0.549 1
1 105 . 5 1 1 A 19 19 ASN HA H 19 5.780 5.377 0.403 1
1 110 . 5 1 1 A 19 19 ASN C C 19 175.300 174.193 1.107 1
1 111 . 5 1 1 A 19 19 ASN CA C 19 51.000 52.102 -1.102 1
1 112 . 5 1 1 A 19 19 ASN CB C 19 39.500 40.955 -1.455 1
1 114 . 5 1 1 A 19 19 ASN N N 19 117.700 119.178 -1.478 1
1 116 . 5 1 1 A 20 20 VAL H H 20 9.140 8.189 0.951 1
1 117 . 5 1 1 A 20 20 VAL HA H 20 5.480 4.975 0.505 1
1 125 . 5 1 1 A 20 20 VAL C C 20 174.900 174.651 0.249 1
1 126 . 5 1 1 A 20 20 VAL CA C 20 61.100 60.637 0.463 1
1 127 . 5 1 1 A 20 20 VAL CB C 20 35.000 34.255 0.745 1
1 130 . 5 1 1 A 20 20 VAL N N 20 120.600 122.875 -2.275 1
1 131 . 5 1 1 A 21 21 SER H H 21 9.700 8.591 1.109 1
1 132 . 5 1 1 A 21 21 SER HA H 21 4.930 5.144 -0.214 1
1 135 . 5 1 1 A 21 21 SER C C 21 172.900 173.150 -0.250 1
1 136 . 5 1 1 A 21 21 SER CA C 21 57.300 56.517 0.783 1
1 137 . 5 1 1 A 21 21 SER CB C 21 66.900 67.112 -0.212 1
1 138 . 5 1 1 A 21 21 SER N N 21 125.600 120.030 5.570 1
1 139 . 5 1 1 A 22 22 ASN H H 22 9.800 8.804 0.996 1
1 140 . 5 1 1 A 22 22 ASN HA H 22 5.240 5.459 -0.219 1
1 145 . 5 1 1 A 22 22 ASN C C 22 174.200 175.224 -1.024 1
1 146 . 5 1 1 A 22 22 ASN CA C 22 53.500 51.375 2.125 1
1 147 . 5 1 1 A 22 22 ASN CB C 22 43.000 42.432 0.568 1
1 149 . 5 1 1 A 22 22 ASN N N 22 116.100 117.773 -1.673 1
1 151 . 5 1 1 A 23 23 SER H H 23 8.200 8.719 -0.519 1
1 152 . 5 1 1 A 23 23 SER HA H 23 4.370 4.176 0.194 1
1 155 . 5 1 1 A 23 23 SER CA C 23 59.700 62.773 -3.073 1
1 156 . 5 1 1 A 23 23 SER CB C 23 64.500 62.884 1.616 1
1 157 . 5 1 1 A 23 23 SER N N 23 111.800 119.204 -7.404 1
1 158 . 5 1 1 A 24 24 HIS H H 24 9.070 7.842 1.228 1
1 159 . 5 1 1 A 24 24 HIS HA H 24 4.790 4.437 0.353 1
1 164 . 5 1 1 A 24 24 HIS C C 24 175.100 176.288 -1.188 1
1 165 . 5 1 1 A 24 24 HIS CA C 24 57.000 58.428 -1.428 1
1 166 . 5 1 1 A 24 24 HIS CB C 24 31.300 29.970 1.330 1
1 169 . 5 1 1 A 24 24 HIS N N 24 121.900 117.703 4.197 1
1 171 . 5 1 1 A 25 25 ASN H H 25 8.420 8.053 0.367 1
1 172 . 5 1 1 A 25 25 ASN HA H 25 4.710 4.551 0.159 1
1 177 . 5 1 1 A 25 25 ASN C C 25 173.900 175.633 -1.733 1
1 178 . 5 1 1 A 25 25 ASN CA C 25 52.800 53.870 -1.070 1
1 179 . 5 1 1 A 25 25 ASN CB C 25 39.500 40.517 -1.017 1
1 181 . 5 1 1 A 25 25 ASN N N 25 119.300 115.680 3.620 1
1 183 . 5 1 1 A 26 26 ASP H H 26 8.130 8.909 -0.779 1
1 184 . 5 1 1 A 26 26 ASP HA H 26 4.660 4.807 -0.147 1
1 187 . 5 1 1 A 26 26 ASP C C 26 176.300 176.193 0.107 1
1 188 . 5 1 1 A 26 26 ASP CA C 26 53.600 54.664 -1.064 1
1 189 . 5 1 1 A 26 26 ASP CB C 26 40.900 41.566 -0.666 1
1 190 . 5 1 1 A 26 26 ASP N N 26 115.800 122.793 -6.993 1
1 191 . 5 1 1 A 27 27 ALA H H 27 8.330 7.682 0.648 1
1 192 . 5 1 1 A 27 27 ALA HA H 27 4.210 4.214 -0.004 1
1 196 . 5 1 1 A 27 27 ALA C C 27 178.500 177.168 1.332 1
1 197 . 5 1 1 A 27 27 ALA CA C 27 53.100 52.768 0.332 1
1 198 . 5 1 1 A 27 27 ALA CB C 27 19.200 19.134 0.066 1
1 199 . 5 1 1 A 27 27 ALA N N 27 124.500 123.254 1.246 1
1 200 . 5 1 1 A 28 28 VAL H H 28 8.310 8.592 -0.282 1
1 201 . 5 1 1 A 28 28 VAL HA H 28 4.360 4.582 -0.222 1
1 209 . 5 1 1 A 28 28 VAL CA C 28 61.000 60.219 0.781 1
1 210 . 5 1 1 A 28 28 VAL CB C 28 35.000 34.748 0.252 1
1 213 . 5 1 1 A 28 28 VAL N N 28 124.500 122.943 1.557 1
1 214 . 5 1 1 A 29 29 ALA H H 29 8.460 8.325 0.135 1
1 215 . 5 1 1 A 29 29 ALA HA H 29 4.590 5.396 -0.806 1
1 219 . 5 1 1 A 29 29 ALA C C 29 175.800 175.501 0.299 1
1 220 . 5 1 1 A 29 29 ALA CA C 29 50.400 49.783 0.617 1
1 221 . 5 1 1 A 29 29 ALA CB C 29 20.100 22.126 -2.026 1
1 222 . 5 1 1 A 30 30 PHE H H 30 8.640 8.895 -0.255 1
1 223 . 5 1 1 A 30 30 PHE HA H 30 4.870 4.959 -0.089 1
1 231 . 5 1 1 A 30 30 PHE C C 30 175.800 175.340 0.460 1
1 232 . 5 1 1 A 30 30 PHE CA C 30 57.300 56.565 0.735 1
1 233 . 5 1 1 A 30 30 PHE CB C 30 41.600 41.760 -0.160 1
1 239 . 5 1 1 A 30 30 PHE N N 30 122.100 120.271 1.829 1
1 240 . 5 1 1 A 31 31 GLU H H 31 8.670 8.959 -0.289 1
1 241 . 5 1 1 A 31 31 GLU HA H 31 3.530 3.821 -0.291 1
1 246 . 5 1 1 A 31 31 GLU C C 31 174.700 175.016 -0.316 1
1 247 . 5 1 1 A 31 31 GLU CA C 31 57.200 57.333 -0.133 1
1 248 . 5 1 1 A 31 31 GLU CB C 31 27.600 28.085 -0.485 1
1 250 . 5 1 1 A 31 31 GLU N N 31 118.900 118.523 0.377 1
1 251 . 5 1 1 A 32 32 VAL H H 32 9.100 7.600 1.500 1
1 252 . 5 1 1 A 32 32 VAL HA H 32 3.770 4.521 -0.751 1
1 260 . 5 1 1 A 32 32 VAL C C 32 175.400 175.238 0.162 1
1 261 . 5 1 1 A 32 32 VAL CA C 32 62.900 61.259 1.641 1
1 262 . 5 1 1 A 32 32 VAL CB C 32 32.200 32.221 -0.021 1
1 265 . 5 1 1 A 32 32 VAL N N 32 122.300 118.255 4.045 1
1 266 . 5 1 1 A 33 33 LYS H H 33 8.330 8.535 -0.205 1
1 267 . 5 1 1 A 33 33 LYS HA H 33 4.980 4.637 0.343 1
1 276 . 5 1 1 A 33 33 LYS C C 33 176.300 176.183 0.117 1
1 277 . 5 1 1 A 33 33 LYS CA C 33 55.700 56.484 -0.784 1
1 278 . 5 1 1 A 33 33 LYS CB C 33 33.500 32.993 0.507 1
1 282 . 5 1 1 A 33 33 LYS N N 33 128.300 128.326 -0.026 1
1 283 . 5 1 1 A 34 34 LEU H H 34 9.140 8.423 0.717 1
1 284 . 5 1 1 A 34 34 LEU HA H 34 4.750 4.967 -0.217 1
1 294 . 5 1 1 A 34 34 LEU C C 34 175.000 176.123 -1.123 1
1 295 . 5 1 1 A 34 34 LEU CA C 34 52.900 53.844 -0.944 1
1 296 . 5 1 1 A 34 34 LEU CB C 34 46.700 45.755 0.945 1
1 300 . 5 1 1 A 34 34 LEU N N 34 126.700 124.540 2.160 1
1 301 . 5 1 1 A 35 35 ALA H H 35 8.650 8.903 -0.253 1
1 302 . 5 1 1 A 35 35 ALA HA H 35 4.100 4.413 -0.313 1
1 306 . 5 1 1 A 35 35 ALA C C 35 178.000 178.136 -0.136 1
1 307 . 5 1 1 A 35 35 ALA CA C 35 52.300 52.254 0.046 1
1 308 . 5 1 1 A 35 35 ALA CB C 35 19.100 19.089 0.011 1
1 309 . 5 1 1 A 35 35 ALA N N 35 126.600 127.561 -0.961 1
1 310 . 5 1 1 A 36 36 LYS H H 36 8.230 8.777 -0.547 1
1 311 . 5 1 1 A 36 36 LYS HA H 36 3.710 4.132 -0.422 1
1 320 . 5 1 1 A 36 36 LYS C C 36 176.000 177.538 -1.538 1
1 321 . 5 1 1 A 36 36 LYS CA C 36 59.800 58.492 1.308 1
1 322 . 5 1 1 A 36 36 LYS CB C 36 33.200 32.089 1.111 1
1 326 . 5 1 1 A 36 36 LYS N N 36 119.200 125.806 -6.606 1
1 327 . 5 1 1 A 37 37 ASP H H 37 8.060 7.936 0.124 1
1 328 . 5 1 1 A 37 37 ASP HA H 37 4.470 4.667 -0.197 1
1 331 . 5 1 1 A 37 37 ASP C C 37 176.800 176.326 0.474 1
1 332 . 5 1 1 A 37 37 ASP CA C 37 53.000 54.538 -1.538 1
1 333 . 5 1 1 A 37 37 ASP CB C 37 39.700 41.171 -1.471 1
1 334 . 5 1 1 A 37 37 ASP N N 37 112.700 117.736 -5.036 1
1 335 . 5 1 1 A 38 38 LEU H H 38 7.170 7.094 0.076 1
1 336 . 5 1 1 A 38 38 LEU HA H 38 4.280 4.204 0.076 1
1 346 . 5 1 1 A 38 38 LEU C C 38 177.600 177.085 0.515 1
1 347 . 5 1 1 A 38 38 LEU CA C 38 55.800 55.174 0.626 1
1 348 . 5 1 1 A 38 38 LEU CB C 38 43.900 42.321 1.579 1
1 352 . 5 1 1 A 38 38 LEU N N 38 122.100 121.585 0.515 1
1 353 . 5 1 1 A 39 39 THR H H 39 8.430 8.301 0.129 1
1 354 . 5 1 1 A 39 39 THR HA H 39 5.010 4.758 0.252 1
1 360 . 5 1 1 A 39 39 THR C C 39 176.500 176.135 0.365 1
1 361 . 5 1 1 A 39 39 THR CA C 39 60.900 60.394 0.506 1
1 362 . 5 1 1 A 39 39 THR CB C 39 71.200 71.438 -0.238 1
1 364 . 5 1 1 A 39 39 THR N N 39 112.800 115.049 -2.249 1
1 365 . 5 1 1 A 40 40 VAL H H 40 8.740 8.432 0.308 1
1 366 . 5 1 1 A 40 40 VAL HA H 40 3.530 3.690 -0.160 1
1 374 . 5 1 1 A 40 40 VAL C C 40 178.200 177.299 0.901 1
1 375 . 5 1 1 A 40 40 VAL CA C 40 67.300 66.696 0.604 1
1 376 . 5 1 1 A 40 40 VAL CB C 40 31.600 31.714 -0.114 1
1 379 . 5 1 1 A 40 40 VAL N N 40 123.600 122.298 1.302 1
1 380 . 5 1 1 A 41 41 ALA H H 41 8.520 8.186 0.334 1
1 381 . 5 1 1 A 41 41 ALA HA H 41 3.950 3.942 0.008 1
1 385 . 5 1 1 A 41 41 ALA C C 41 180.700 179.971 0.729 1
1 386 . 5 1 1 A 41 41 ALA CA C 41 56.100 55.888 0.212 1
1 387 . 5 1 1 A 41 41 ALA CB C 41 18.800 18.716 0.084 1
1 388 . 5 1 1 A 41 41 ALA N N 41 121.400 122.221 -0.821 1
1 389 . 5 1 1 A 42 42 GLN H H 42 7.740 7.888 -0.148 1
1 390 . 5 1 1 A 42 42 GLN HA H 42 4.060 4.039 0.021 1
1 397 . 5 1 1 A 42 42 GLN C C 42 180.300 178.656 1.644 1
1 398 . 5 1 1 A 42 42 GLN CA C 42 58.600 58.807 -0.207 1
1 399 . 5 1 1 A 42 42 GLN CB C 42 29.200 28.528 0.672 1
1 402 . 5 1 1 A 42 42 GLN N N 42 117.500 117.880 -0.380 1
1 404 . 5 1 1 A 43 43 LEU H H 43 9.210 8.008 1.202 1
1 405 . 5 1 1 A 43 43 LEU HA H 43 3.940 4.112 -0.172 1
1 415 . 5 1 1 A 43 43 LEU C C 43 178.300 178.762 -0.462 1
1 416 . 5 1 1 A 43 43 LEU CA C 43 57.900 57.819 0.081 1
1 417 . 5 1 1 A 43 43 LEU CB C 43 41.300 41.712 -0.412 1
1 421 . 5 1 1 A 43 43 LEU N N 43 123.000 121.933 1.067 1
1 422 . 5 1 1 A 44 44 LYS H H 44 8.740 7.980 0.760 1
1 423 . 5 1 1 A 44 44 LYS HA H 44 3.860 3.961 -0.101 1
1 432 . 5 1 1 A 44 44 LYS C C 44 178.300 179.368 -1.068 1
1 433 . 5 1 1 A 44 44 LYS CA C 44 61.100 59.401 1.699 1
1 434 . 5 1 1 A 44 44 LYS CB C 44 32.800 32.232 0.568 1
1 438 . 5 1 1 A 44 44 LYS N N 44 119.300 118.860 0.440 1
1 439 . 5 1 1 A 45 45 THR H H 45 7.440 7.829 -0.389 1
1 440 . 5 1 1 A 45 45 THR HA H 45 3.930 3.967 -0.037 1
1 445 . 5 1 1 A 45 45 THR C C 45 176.700 177.018 -0.318 1
1 446 . 5 1 1 A 45 45 THR CA C 45 67.100 65.761 1.339 1
1 447 . 5 1 1 A 45 45 THR CB C 45 68.800 68.442 0.358 1
1 449 . 5 1 1 A 45 45 THR N N 45 114.000 113.476 0.524 1
1 450 . 5 1 1 A 46 46 LYS H H 46 7.500 7.780 -0.280 1
1 451 . 5 1 1 A 46 46 LYS HA H 46 4.100 3.996 0.104 1
1 460 . 5 1 1 A 46 46 LYS C C 46 179.700 179.575 0.125 1
1 461 . 5 1 1 A 46 46 LYS CA C 46 59.400 59.922 -0.522 1
1 462 . 5 1 1 A 46 46 LYS CB C 46 32.100 32.292 -0.192 1
1 466 . 5 1 1 A 46 46 LYS N N 46 121.700 122.432 -0.732 1
1 467 . 5 1 1 A 47 47 LEU H H 47 9.010 8.463 0.547 1
1 468 . 5 1 1 A 47 47 LEU HA H 47 4.040 3.947 0.093 1
1 478 . 5 1 1 A 47 47 LEU C C 47 180.000 178.800 1.200 1
1 479 . 5 1 1 A 47 47 LEU CA C 47 57.200 58.060 -0.860 1
1 480 . 5 1 1 A 47 47 LEU CB C 47 40.700 41.262 -0.562 1
1 484 . 5 1 1 A 47 47 LEU N N 47 118.000 119.838 -1.838 1
1 485 . 5 1 1 A 48 48 GLU H H 48 8.450 8.463 -0.013 1
1 486 . 5 1 1 A 48 48 GLU HA H 48 4.050 3.940 0.110 1
1 491 . 5 1 1 A 48 48 GLU C C 48 178.800 179.206 -0.406 1
1 492 . 5 1 1 A 48 48 GLU CA C 48 59.700 59.413 0.287 1
1 493 . 5 1 1 A 48 48 GLU CB C 48 29.400 29.474 -0.074 1
1 495 . 5 1 1 A 48 48 GLU N N 48 126.300 120.201 6.099 1
1 496 . 5 1 1 A 49 49 ILE H H 49 7.180 7.571 -0.391 1
1 497 . 5 1 1 A 49 49 ILE HA H 49 3.780 3.660 0.120 1
1 507 . 5 1 1 A 49 49 ILE C C 49 178.000 178.081 -0.081 1
1 508 . 5 1 1 A 49 49 ILE CA C 49 64.000 65.358 -1.358 1
1 509 . 5 1 1 A 49 49 ILE CB C 49 38.100 37.712 0.388 1
1 513 . 5 1 1 A 49 49 ILE N N 49 119.600 120.132 -0.532 1
1 514 . 5 1 1 A 50 50 LEU H H 50 7.520 7.991 -0.471 1
1 515 . 5 1 1 A 50 50 LEU HA H 50 4.160 3.930 0.230 1
1 525 . 5 1 1 A 50 50 LEU C C 50 178.400 178.649 -0.249 1
1 526 . 5 1 1 A 50 50 LEU CA C 50 57.500 58.222 -0.722 1
1 527 . 5 1 1 A 50 50 LEU CB C 50 44.300 41.725 2.575 1
1 531 . 5 1 1 A 50 50 LEU N N 50 116.800 121.320 -4.520 1
1 532 . 5 1 1 A 51 51 THR H H 51 8.160 8.391 -0.231 1
1 533 . 5 1 1 A 51 51 THR HA H 51 4.490 4.395 0.095 1
1 538 . 5 1 1 A 51 51 THR C C 51 175.600 175.911 -0.311 1
1 539 . 5 1 1 A 51 51 THR CA C 51 62.400 62.348 0.052 1
1 540 . 5 1 1 A 51 51 THR CB C 51 72.900 70.584 2.316 1
1 542 . 5 1 1 A 51 51 THR N N 51 104.100 107.309 -3.209 1
1 543 . 5 1 1 A 52 52 GLY H H 52 8.080 8.447 -0.367 1
1 544 . 5 1 1 A 52 52 GLY HA2 H 52 3.830 3.944 -0.114 1
1 545 . 5 1 1 A 52 52 GLY HA3 H 52 4.250 3.946 0.304 1
1 546 . 5 1 1 A 52 52 GLY C C 52 174.800 174.619 0.181 1
1 547 . 5 1 1 A 52 52 GLY CA C 52 45.500 46.176 -0.676 1
1 548 . 5 1 1 A 52 52 GLY N N 52 112.100 112.051 0.049 1
1 549 . 5 1 1 A 53 53 GLY H H 53 7.880 7.800 0.080 1
1 550 . 5 1 1 A 53 53 GLY HA2 H 53 3.220 3.958 -0.738 1
1 551 . 5 1 1 A 53 53 GLY HA3 H 53 4.040 3.967 0.073 1
1 552 . 5 1 1 A 53 53 GLY C C 53 170.900 172.924 -2.024 1
1 553 . 5 1 1 A 53 53 GLY CA C 53 44.300 43.997 0.303 1
1 554 . 5 1 1 A 53 53 GLY N N 53 107.000 107.956 -0.956 1
1 555 . 5 1 1 A 54 54 CYS H H 54 8.690 8.429 0.261 1
1 556 . 5 1 1 A 54 54 CYS HA H 54 4.430 5.229 -0.799 1
1 559 . 5 1 1 A 54 54 CYS C C 54 176.100 174.836 1.264 1
1 560 . 5 1 1 A 54 54 CYS CA C 54 57.900 57.364 0.536 1
1 561 . 5 1 1 A 54 54 CYS CB C 54 27.800 30.954 -3.154 1
1 562 . 5 1 1 A 54 54 CYS N N 54 120.200 118.931 1.269 1
1 563 . 5 1 1 A 55 55 ALA H H 55 10.100 9.059 1.041 1
1 564 . 5 1 1 A 55 55 ALA HA H 55 3.890 4.092 -0.202 1
1 568 . 5 1 1 A 55 55 ALA C C 55 178.900 178.425 0.475 1
1 569 . 5 1 1 A 55 55 ALA CA C 55 55.700 54.531 1.169 1
1 570 . 5 1 1 A 55 55 ALA CB C 55 18.500 18.507 -0.007 1
1 571 . 5 1 1 A 55 55 ALA N N 55 133.900 127.017 6.883 1
1 572 . 5 1 1 A 56 56 GLY H H 56 8.380 8.387 -0.007 1
1 573 . 5 1 1 A 56 56 GLY HA2 H 56 3.910 3.936 -0.026 1
1 574 . 5 1 1 A 56 56 GLY HA3 H 56 3.910 3.937 -0.027 1
1 575 . 5 1 1 A 56 56 GLY C C 56 174.600 174.623 -0.023 1
1 576 . 5 1 1 A 56 56 GLY CA C 56 45.900 45.934 -0.034 1
1 577 . 5 1 1 A 56 56 GLY N N 56 104.300 106.693 -2.393 1
1 578 . 5 1 1 A 57 57 THR H H 57 7.310 7.703 -0.393 1
1 579 . 5 1 1 A 57 57 THR HA H 57 4.520 4.583 -0.063 1
1 584 . 5 1 1 A 57 57 THR C C 57 175.500 173.826 1.674 1
1 585 . 5 1 1 A 57 57 THR CA C 57 61.400 61.203 0.197 1
1 586 . 5 1 1 A 57 57 THR CB C 57 69.900 70.779 -0.879 1
1 588 . 5 1 1 A 57 57 THR N N 57 107.700 114.821 -7.121 1
1 589 . 5 1 1 A 58 58 MET H H 58 7.910 7.548 0.362 1
1 590 . 5 1 1 A 58 58 MET HA H 58 4.540 4.449 0.091 1
1 598 . 5 1 1 A 58 58 MET C C 58 175.100 175.727 -0.627 1
1 599 . 5 1 1 A 58 58 MET CA C 58 56.900 55.028 1.872 1
1 600 . 5 1 1 A 58 58 MET CB C 58 33.700 33.569 0.131 1
1 603 . 5 1 1 A 58 58 MET N N 58 120.700 122.178 -1.478 1
1 604 . 5 1 1 A 59 59 LYS H H 59 8.780 8.305 0.475 1
1 605 . 5 1 1 A 59 59 LYS HA H 59 4.610 5.083 -0.473 1
1 614 . 5 1 1 A 59 59 LYS C C 59 174.500 175.080 -0.580 1
1 615 . 5 1 1 A 59 59 LYS CA C 59 54.500 54.765 -0.265 1
1 616 . 5 1 1 A 59 59 LYS CB C 59 34.700 35.607 -0.907 1
1 620 . 5 1 1 A 59 59 LYS N N 59 122.400 125.206 -2.806 1
1 621 . 5 1 1 A 60 60 VAL H H 60 8.740 8.756 -0.016 1
1 622 . 5 1 1 A 60 60 VAL HA H 60 4.700 4.854 -0.154 1
1 630 . 5 1 1 A 60 60 VAL C C 60 175.000 175.230 -0.230 1
1 631 . 5 1 1 A 60 60 VAL CA C 60 61.300 61.092 0.208 1
1 632 . 5 1 1 A 60 60 VAL CB C 60 33.400 33.622 -0.222 1
1 635 . 5 1 1 A 60 60 VAL N N 60 122.100 123.563 -1.463 1
1 636 . 5 1 1 A 61 61 GLN H H 61 9.250 8.665 0.585 1
1 637 . 5 1 1 A 61 61 GLN HA H 61 4.790 4.982 -0.192 1
1 644 . 5 1 1 A 61 61 GLN C C 61 174.700 174.630 0.070 1
1 645 . 5 1 1 A 61 61 GLN CA C 61 54.200 54.083 0.117 1
1 646 . 5 1 1 A 61 61 GLN CB C 61 32.800 32.145 0.655 1
1 649 . 5 1 1 A 61 61 GLN N N 61 126.400 125.930 0.470 1
1 651 . 5 1 1 A 62 62 VAL H H 62 8.690 8.197 0.493 1
1 652 . 5 1 1 A 62 62 VAL HA H 62 4.650 4.621 0.029 1
1 660 . 5 1 1 A 62 62 VAL C C 62 174.700 175.196 -0.496 1
1 661 . 5 1 1 A 62 62 VAL CA C 62 61.800 61.746 0.054 1
1 662 . 5 1 1 A 62 62 VAL CB C 62 32.500 31.988 0.512 1
1 665 . 5 1 1 A 62 62 VAL N N 62 121.700 123.606 -1.906 1
1 666 . 5 1 1 A 63 63 PHE H H 63 10.020 9.231 0.789 1
1 667 . 5 1 1 A 63 63 PHE HA H 63 5.170 5.202 -0.032 1
1 675 . 5 1 1 A 63 63 PHE C C 63 175.100 174.565 0.535 1
1 676 . 5 1 1 A 63 63 PHE CA C 63 56.800 55.882 0.918 1
1 677 . 5 1 1 A 63 63 PHE CB C 63 42.900 43.600 -0.700 1
1 683 . 5 1 1 A 63 63 PHE N N 63 127.100 126.240 0.860 1
1 684 . 5 1 1 A 64 64 LYS H H 64 8.710 8.500 0.210 1
1 685 . 5 1 1 A 64 64 LYS HA H 64 4.650 4.652 -0.002 1
1 694 . 5 1 1 A 64 64 LYS C C 64 176.900 176.634 0.266 1
1 695 . 5 1 1 A 64 64 LYS CA C 64 55.100 55.099 0.001 1
1 696 . 5 1 1 A 64 64 LYS CB C 64 34.100 33.689 0.411 1
1 700 . 5 1 1 A 64 64 LYS N N 64 123.900 123.404 0.496 1
1 701 . 5 1 1 A 65 65 GLY H H 65 9.160 9.003 0.157 1
1 702 . 5 1 1 A 65 65 GLY HA2 H 65 3.680 3.893 -0.213 1
1 703 . 5 1 1 A 65 65 GLY HA3 H 65 4.050 3.898 0.152 1
1 704 . 5 1 1 A 65 65 GLY C C 65 174.600 174.529 0.071 1
1 705 . 5 1 1 A 65 65 GLY CA C 65 47.200 47.107 0.093 1
1 706 . 5 1 1 A 65 65 GLY N N 65 118.800 115.522 3.278 1
1 707 . 5 1 1 A 66 66 ASP H H 66 8.760 8.748 0.012 1
1 708 . 5 1 1 A 66 66 ASP HA H 66 4.700 4.679 0.021 1
1 711 . 5 1 1 A 66 66 ASP C C 66 176.000 175.241 0.759 1
1 712 . 5 1 1 A 66 66 ASP CA C 66 54.300 53.482 0.818 1
1 713 . 5 1 1 A 66 66 ASP CB C 66 41.300 40.450 0.850 1
1 714 . 5 1 1 A 66 66 ASP N N 66 126.400 125.921 0.479 1
1 715 . 5 1 1 A 67 67 THR H H 67 8.020 7.173 0.847 1
1 716 . 5 1 1 A 67 67 THR HA H 67 4.300 4.953 -0.653 1
1 721 . 5 1 1 A 67 67 THR C C 67 172.100 173.221 -1.121 1
1 722 . 5 1 1 A 67 67 THR CA C 67 62.400 61.455 0.945 1
1 723 . 5 1 1 A 67 67 THR CB C 67 70.700 71.273 -0.573 1
1 725 . 5 1 1 A 67 67 THR N N 67 117.500 114.266 3.234 1
1 726 . 5 1 1 A 68 68 CYS H H 68 8.940 8.705 0.235 1
1 727 . 5 1 1 A 68 68 CYS HA H 68 3.400 4.401 -1.001 1
1 730 . 5 1 1 A 68 68 CYS C C 68 174.900 175.843 -0.943 1
1 731 . 5 1 1 A 68 68 CYS CA C 68 58.700 58.827 -0.127 1
1 732 . 5 1 1 A 68 68 CYS CB C 68 25.600 28.298 -2.698 1
1 733 . 5 1 1 A 68 68 CYS N N 68 129.500 125.086 4.414 1
1 734 . 5 1 1 A 69 69 VAL H H 69 9.090 8.658 0.432 1
1 735 . 5 1 1 A 69 69 VAL HA H 69 4.150 3.846 0.304 1
1 743 . 5 1 1 A 69 69 VAL C C 69 176.300 175.366 0.934 1
1 744 . 5 1 1 A 69 69 VAL CA C 69 62.900 64.400 -1.500 1
1 745 . 5 1 1 A 69 69 VAL CB C 69 32.800 32.025 0.775 1
1 748 . 5 1 1 A 69 69 VAL N N 69 127.500 128.620 -1.120 1
1 749 . 5 1 1 A 70 70 SER H H 70 7.640 7.482 0.158 1
1 750 . 5 1 1 A 70 70 SER HA H 70 4.550 4.676 -0.126 1
1 753 . 5 1 1 A 70 70 SER C C 70 172.300 171.780 0.520 1
1 754 . 5 1 1 A 70 70 SER CA C 70 58.700 57.770 0.930 1
1 755 . 5 1 1 A 70 70 SER CB C 70 65.100 66.480 -1.380 1
1 756 . 5 1 1 A 70 70 SER N N 70 113.400 112.490 0.910 1
1 757 . 5 1 1 A 71 71 THR H H 71 8.220 8.509 -0.289 1
1 758 . 5 1 1 A 71 71 THR HA H 71 4.580 4.754 -0.174 1
1 763 . 5 1 1 A 71 71 THR C C 71 174.000 174.470 -0.470 1
1 764 . 5 1 1 A 71 71 THR CA C 71 61.800 61.202 0.598 1
1 765 . 5 1 1 A 71 71 THR CB C 71 70.500 70.972 -0.472 1
1 767 . 5 1 1 A 71 71 THR N N 71 114.500 116.042 -1.542 1
1 768 . 5 1 1 A 72 72 MET H H 72 8.260 8.864 -0.604 1
1 769 . 5 1 1 A 72 72 MET HA H 72 2.990 3.946 -0.956 1
1 777 . 5 1 1 A 72 72 MET C C 72 175.700 176.386 -0.686 1
1 778 . 5 1 1 A 72 72 MET CA C 72 55.100 54.116 0.984 1
1 779 . 5 1 1 A 72 72 MET CB C 72 30.200 31.091 -0.891 1
1 782 . 5 1 1 A 72 72 MET N N 72 121.800 125.155 -3.355 1
1 783 . 5 1 1 A 73 73 ASP H H 73 7.830 8.237 -0.407 1
1 784 . 5 1 1 A 73 73 ASP HA H 73 4.370 4.635 -0.265 1
1 787 . 5 1 1 A 73 73 ASP C C 73 175.100 176.036 -0.936 1
1 788 . 5 1 1 A 73 73 ASP CA C 73 55.800 54.328 1.472 1
1 789 . 5 1 1 A 73 73 ASP CB C 73 41.800 41.390 0.410 1
1 790 . 5 1 1 A 73 73 ASP N N 73 125.100 123.514 1.586 1
1 791 . 5 1 1 A 74 74 ASN H H 74 7.480 7.445 0.035 1
1 792 . 5 1 1 A 74 74 ASN HA H 74 4.890 4.936 -0.046 1
1 797 . 5 1 1 A 74 74 ASN C C 74 175.800 176.062 -0.262 1
1 798 . 5 1 1 A 74 74 ASN CA C 74 51.600 52.896 -1.296 1
1 799 . 5 1 1 A 74 74 ASN CB C 74 38.800 38.439 0.361 1
1 801 . 5 1 1 A 74 74 ASN N N 74 116.400 118.980 -2.580 1
1 803 . 5 1 1 A 75 75 ASN H H 75 8.870 8.989 -0.119 1
1 804 . 5 1 1 A 75 75 ASN HA H 75 4.390 4.582 -0.192 1
1 809 . 5 1 1 A 75 75 ASN C C 75 175.700 175.322 0.378 1
1 810 . 5 1 1 A 75 75 ASN CA C 75 55.600 54.823 0.777 1
1 811 . 5 1 1 A 75 75 ASN CB C 75 39.200 37.541 1.659 1
1 813 . 5 1 1 A 75 75 ASN N N 75 123.600 123.346 0.254 1
1 815 . 5 1 1 A 76 76 ASP H H 76 8.060 8.310 -0.250 1
1 816 . 5 1 1 A 76 76 ASP HA H 76 4.750 4.641 0.109 1
1 819 . 5 1 1 A 76 76 ASP C C 76 176.200 176.288 -0.088 1
1 820 . 5 1 1 A 76 76 ASP CA C 76 54.200 53.263 0.937 1
1 821 . 5 1 1 A 76 76 ASP CB C 76 41.700 40.099 1.601 1
1 822 . 5 1 1 A 76 76 ASP N N 76 115.100 117.073 -1.973 1
1 823 . 5 1 1 A 77 77 ALA H H 77 7.140 7.169 -0.029 1
1 824 . 5 1 1 A 77 77 ALA HA H 77 4.160 4.187 -0.027 1
1 828 . 5 1 1 A 77 77 ALA C C 77 176.100 177.298 -1.198 1
1 829 . 5 1 1 A 77 77 ALA CA C 77 51.400 52.010 -0.610 1
1 830 . 5 1 1 A 77 77 ALA CB C 77 20.100 19.530 0.570 1
1 831 . 5 1 1 A 77 77 ALA N N 77 122.600 123.501 -0.901 1
1 832 . 5 1 1 A 78 78 GLN H H 78 8.090 8.881 -0.791 1
1 833 . 5 1 1 A 78 78 GLN HA H 78 4.750 4.454 0.296 1
1 840 . 5 1 1 A 78 78 GLN C C 78 177.900 177.597 0.303 1
1 841 . 5 1 1 A 78 78 GLN CA C 78 55.200 55.220 -0.020 1
1 842 . 5 1 1 A 78 78 GLN CB C 78 29.500 29.476 0.024 1
1 845 . 5 1 1 A 78 78 GLN N N 78 116.500 120.410 -3.910 1
1 847 . 5 1 1 A 79 79 LEU H H 79 9.380 9.247 0.133 1
1 848 . 5 1 1 A 79 79 LEU HA H 79 4.060 4.167 -0.107 1
1 858 . 5 1 1 A 79 79 LEU C C 79 179.200 179.023 0.177 1
1 859 . 5 1 1 A 79 79 LEU CA C 79 58.900 58.002 0.898 1
1 860 . 5 1 1 A 79 79 LEU CB C 79 42.000 41.543 0.457 1
1 864 . 5 1 1 A 79 79 LEU N N 79 123.800 126.406 -2.606 1
1 865 . 5 1 1 A 80 80 GLY H H 80 9.130 7.901 1.229 1
1 866 . 5 1 1 A 80 80 GLY HA2 H 80 3.750 3.893 -0.143 1
1 867 . 5 1 1 A 80 80 GLY HA3 H 80 4.160 3.912 0.248 1
1 868 . 5 1 1 A 80 80 GLY C C 80 174.100 175.187 -1.087 1
1 869 . 5 1 1 A 80 80 GLY CA C 80 45.600 46.346 -0.746 1
1 870 . 5 1 1 A 80 80 GLY N N 80 104.000 106.313 -2.313 1
1 871 . 5 1 1 A 81 81 TYR H H 81 7.900 7.947 -0.047 1
1 872 . 5 1 1 A 81 81 TYR HA H 81 4.000 3.925 0.075 1
1 879 . 5 1 1 A 81 81 TYR C C 81 176.300 176.771 -0.471 1
1 880 . 5 1 1 A 81 81 TYR CA C 81 60.600 60.730 -0.130 1
1 881 . 5 1 1 A 81 81 TYR CB C 81 38.700 38.131 0.569 1
1 886 . 5 1 1 A 81 81 TYR N N 81 120.300 122.894 -2.594 1
1 887 . 5 1 1 A 82 82 TYR H H 82 7.430 7.734 -0.304 1
1 888 . 5 1 1 A 82 82 TYR HA H 82 4.340 4.630 -0.290 1
1 895 . 5 1 1 A 82 82 TYR C C 82 175.500 176.665 -1.165 1
1 896 . 5 1 1 A 82 82 TYR CA C 82 58.700 59.199 -0.499 1
1 897 . 5 1 1 A 82 82 TYR CB C 82 41.500 40.288 1.212 1
1 902 . 5 1 1 A 82 82 TYR N N 82 114.000 114.683 -0.683 1
1 903 . 5 1 1 A 83 83 ALA H H 83 8.430 7.657 0.773 1
1 904 . 5 1 1 A 83 83 ALA HA H 83 4.380 4.572 -0.192 1
1 908 . 5 1 1 A 83 83 ALA C C 83 173.400 177.259 -3.859 1
1 909 . 5 1 1 A 83 83 ALA CA C 83 51.000 50.908 0.092 1
1 910 . 5 1 1 A 83 83 ALA CB C 83 19.500 18.099 1.401 1
1 911 . 5 1 1 A 83 83 ALA N N 83 122.900 120.793 2.107 1
1 912 . 5 1 1 A 84 84 ASN H H 84 8.050 8.856 -0.806 1
1 913 . 5 1 1 A 84 84 ASN HA H 84 4.760 4.881 -0.121 1
1 918 . 5 1 1 A 84 84 ASN C C 84 174.600 174.670 -0.070 1
1 919 . 5 1 1 A 84 84 ASN CA C 84 52.200 52.608 -0.408 1
1 920 . 5 1 1 A 84 84 ASN CB C 84 39.300 39.335 -0.035 1
1 922 . 5 1 1 A 84 84 ASN N N 84 117.300 120.134 -2.834 1
1 924 . 5 1 1 A 85 85 SER H H 85 7.180 7.727 -0.547 1
1 925 . 5 1 1 A 85 85 SER HA H 85 4.670 5.009 -0.339 1
1 928 . 5 1 1 A 85 85 SER C C 85 172.000 173.353 -1.353 1
1 929 . 5 1 1 A 85 85 SER CA C 85 56.900 57.492 -0.592 1
1 930 . 5 1 1 A 85 85 SER CB C 85 66.000 66.333 -0.333 1
1 931 . 5 1 1 A 85 85 SER N N 85 112.200 113.990 -1.790 1
1 932 . 5 1 1 A 86 86 ASP H H 86 8.320 8.811 -0.491 1
1 933 . 5 1 1 A 86 86 ASP HA H 86 4.920 4.864 0.056 1
1 936 . 5 1 1 A 86 86 ASP C C 86 178.100 176.560 1.540 1
1 937 . 5 1 1 A 86 86 ASP CA C 86 55.000 53.469 1.531 1
1 938 . 5 1 1 A 86 86 ASP CB C 86 42.000 41.954 0.046 1
1 939 . 5 1 1 A 86 86 ASP N N 86 119.100 123.716 -4.616 1
1 940 . 5 1 1 A 87 87 GLY H H 87 8.910 8.643 0.267 1
1 941 . 5 1 1 A 87 87 GLY HA2 H 87 3.850 3.991 -0.141 1
1 942 . 5 1 1 A 87 87 GLY HA3 H 87 4.110 3.998 0.112 1
1 943 . 5 1 1 A 87 87 GLY C C 87 175.400 174.209 1.191 1
1 944 . 5 1 1 A 87 87 GLY CA C 87 46.100 45.243 0.857 1
1 945 . 5 1 1 A 87 87 GLY N N 87 107.900 110.265 -2.365 1
1 946 . 5 1 1 A 88 88 LEU H H 88 8.290 7.808 0.482 1
1 947 . 5 1 1 A 88 88 LEU HA H 88 4.740 4.445 0.295 1
1 957 . 5 1 1 A 88 88 LEU C C 88 175.000 176.132 -1.132 1
1 958 . 5 1 1 A 88 88 LEU CA C 88 54.500 54.653 -0.153 1
1 959 . 5 1 1 A 88 88 LEU CB C 88 43.200 42.645 0.555 1
1 963 . 5 1 1 A 88 88 LEU N N 88 120.300 123.175 -2.875 1
1 964 . 5 1 1 A 89 89 ARG H H 89 8.880 8.512 0.368 1
1 965 . 5 1 1 A 89 89 ARG HA H 89 5.300 5.083 0.217 1
1 973 . 5 1 1 A 89 89 ARG C C 89 174.900 174.546 0.354 1
1 974 . 5 1 1 A 89 89 ARG CA C 89 53.600 54.745 -1.145 1
1 975 . 5 1 1 A 89 89 ARG CB C 89 34.300 33.585 0.715 1
1 979 . 5 1 1 A 89 89 ARG N N 89 121.200 123.094 -1.894 1
1 981 . 5 1 1 A 90 90 LEU H H 90 9.250 9.366 -0.116 1
1 982 . 5 1 1 A 90 90 LEU HA H 90 5.270 5.184 0.086 1
1 992 . 5 1 1 A 90 90 LEU C C 90 173.700 175.116 -1.416 1
1 993 . 5 1 1 A 90 90 LEU CA C 90 52.900 53.460 -0.560 1
1 994 . 5 1 1 A 90 90 LEU CB C 90 42.000 43.582 -1.582 1
1 998 . 5 1 1 A 90 90 LEU N N 90 125.500 128.434 -2.934 1
1 999 . 5 1 1 A 91 91 HIS H H 91 9.600 9.027 0.573 1
1 1000 . 5 1 1 A 91 91 HIS HA H 91 5.280 5.522 -0.242 1
1 1005 . 5 1 1 A 91 91 HIS C C 91 174.300 173.370 0.930 1
1 1006 . 5 1 1 A 91 91 HIS CA C 91 54.500 53.492 1.008 1
1 1007 . 5 1 1 A 91 91 HIS CB C 91 35.200 32.383 2.817 1
1 1010 . 5 1 1 A 91 91 HIS N N 91 124.800 124.848 -0.048 1
1 1013 . 5 1 1 A 92 92 VAL H H 92 8.300 8.893 -0.593 1
1 1014 . 5 1 1 A 92 92 VAL HA H 92 4.110 4.513 -0.403 1
1 1022 . 5 1 1 A 92 92 VAL C C 92 174.200 175.121 -0.921 1
1 1023 . 5 1 1 A 92 92 VAL CA C 92 62.900 61.916 0.984 1
1 1024 . 5 1 1 A 92 92 VAL CB C 92 32.600 32.245 0.355 1
1 1027 . 5 1 1 A 92 92 VAL N N 92 128.400 127.952 0.448 1
1 1028 . 5 1 1 A 93 93 VAL H H 93 8.950 8.803 0.147 1
1 1029 . 5 1 1 A 93 93 VAL HA H 93 4.170 4.692 -0.522 1
1 1037 . 5 1 1 A 93 93 VAL C C 93 175.600 173.719 1.881 1
1 1038 . 5 1 1 A 93 93 VAL CA C 93 61.100 60.929 0.171 1
1 1039 . 5 1 1 A 93 93 VAL CB C 93 33.300 34.045 -0.745 1
1 1042 . 5 1 1 A 93 93 VAL N N 93 127.800 128.125 -0.325 1
1 1043 . 5 1 1 A 94 94 ASP H H 94 8.280 8.971 -0.691 1
1 1044 . 5 1 1 A 94 94 ASP HA H 94 4.850 4.859 -0.009 1
1 1047 . 5 1 1 A 94 94 ASP C C 94 174.700 174.653 0.047 1
1 1048 . 5 1 1 A 94 94 ASP CA C 94 53.800 52.760 1.040 1
1 1049 . 5 1 1 A 94 94 ASP CB C 94 42.500 41.502 0.998 1
1 1050 . 5 1 1 A 94 94 ASP N N 94 127.100 128.982 -1.882 1
1 1 . 6 1 1 A 11 11 GLY C C 11 174.100 175.493 -1.393 1
1 2 . 6 1 1 A 11 11 GLY CA C 11 45.300 46.927 -1.627 1
1 3 . 6 1 1 A 12 12 LYS H H 12 8.180 8.103 0.077 1
1 4 . 6 1 1 A 12 12 LYS HA H 12 4.320 4.327 -0.007 1
1 13 . 6 1 1 A 12 12 LYS C C 12 176.700 176.558 0.142 1
1 14 . 6 1 1 A 12 12 LYS CA C 12 56.400 56.201 0.199 1
1 15 . 6 1 1 A 12 12 LYS CB C 12 33.200 33.016 0.184 1
1 19 . 6 1 1 A 12 12 LYS N N 12 120.600 118.057 2.543 1
1 20 . 6 1 1 A 13 13 SER H H 13 8.360 7.787 0.573 1
1 21 . 6 1 1 A 13 13 SER HA H 13 4.450 4.498 -0.048 1
1 24 . 6 1 1 A 13 13 SER C C 13 173.800 173.943 -0.143 1
1 25 . 6 1 1 A 13 13 SER CA C 13 58.000 59.504 -1.504 1
1 26 . 6 1 1 A 13 13 SER CB C 13 63.900 64.075 -0.175 1
1 27 . 6 1 1 A 13 13 SER N N 13 116.300 116.288 0.012 1
1 28 . 6 1 1 A 14 14 ASP H H 14 8.450 8.976 -0.526 1
1 29 . 6 1 1 A 14 14 ASP HA H 14 4.670 4.890 -0.220 1
1 32 . 6 1 1 A 14 14 ASP C C 14 175.100 173.827 1.273 1
1 33 . 6 1 1 A 14 14 ASP CA C 14 54.400 52.996 1.404 1
1 34 . 6 1 1 A 14 14 ASP CB C 14 41.500 40.867 0.633 1
1 35 . 6 1 1 A 14 14 ASP N N 14 122.400 123.349 -0.949 1
1 36 . 6 1 1 A 15 15 PHE H H 15 8.110 7.687 0.423 1
1 37 . 6 1 1 A 15 15 PHE HA H 15 5.290 5.154 0.136 1
1 45 . 6 1 1 A 15 15 PHE C C 15 175.000 175.020 -0.020 1
1 46 . 6 1 1 A 15 15 PHE CA C 15 56.600 56.492 0.108 1
1 47 . 6 1 1 A 15 15 PHE CB C 15 42.600 43.311 -0.711 1
1 53 . 6 1 1 A 15 15 PHE N N 15 118.500 117.966 0.534 1
1 54 . 6 1 1 A 16 16 ILE H H 16 9.160 8.905 0.255 1
1 55 . 6 1 1 A 16 16 ILE HA H 16 4.710 5.073 -0.363 1
1 65 . 6 1 1 A 16 16 ILE C C 16 173.400 174.143 -0.743 1
1 66 . 6 1 1 A 16 16 ILE CA C 16 59.300 59.246 0.054 1
1 67 . 6 1 1 A 16 16 ILE CB C 16 42.100 42.497 -0.397 1
1 71 . 6 1 1 A 16 16 ILE N N 16 116.700 117.616 -0.916 1
1 72 . 6 1 1 A 17 17 LYS H H 17 8.530 8.637 -0.107 1
1 73 . 6 1 1 A 17 17 LYS HA H 17 5.220 5.342 -0.122 1
1 82 . 6 1 1 A 17 17 LYS C C 17 176.400 176.014 0.386 1
1 83 . 6 1 1 A 17 17 LYS CA C 17 54.900 55.160 -0.260 1
1 84 . 6 1 1 A 17 17 LYS CB C 17 34.100 35.315 -1.215 1
1 88 . 6 1 1 A 17 17 LYS N N 17 123.200 122.920 0.280 1
1 89 . 6 1 1 A 18 18 VAL H H 18 8.900 8.475 0.425 1
1 90 . 6 1 1 A 18 18 VAL HA H 18 4.990 4.943 0.047 1
1 98 . 6 1 1 A 18 18 VAL C C 18 174.300 174.413 -0.113 1
1 99 . 6 1 1 A 18 18 VAL CA C 18 58.600 58.688 -0.088 1
1 100 . 6 1 1 A 18 18 VAL CB C 18 35.600 36.080 -0.480 1
1 103 . 6 1 1 A 18 18 VAL N N 18 117.500 117.746 -0.246 1
1 104 . 6 1 1 A 19 19 ASN H H 19 7.830 8.724 -0.894 1
1 105 . 6 1 1 A 19 19 ASN HA H 19 5.780 5.395 0.385 1
1 110 . 6 1 1 A 19 19 ASN C C 19 175.300 174.353 0.947 1
1 111 . 6 1 1 A 19 19 ASN CA C 19 51.000 52.097 -1.097 1
1 112 . 6 1 1 A 19 19 ASN CB C 19 39.500 40.700 -1.200 1
1 114 . 6 1 1 A 19 19 ASN N N 19 117.700 118.996 -1.296 1
1 116 . 6 1 1 A 20 20 VAL H H 20 9.140 8.152 0.988 1
1 117 . 6 1 1 A 20 20 VAL HA H 20 5.480 5.049 0.431 1
1 125 . 6 1 1 A 20 20 VAL C C 20 174.900 174.490 0.410 1
1 126 . 6 1 1 A 20 20 VAL CA C 20 61.100 60.563 0.537 1
1 127 . 6 1 1 A 20 20 VAL CB C 20 35.000 34.404 0.596 1
1 130 . 6 1 1 A 20 20 VAL N N 20 120.600 123.135 -2.535 1
1 131 . 6 1 1 A 21 21 SER H H 21 9.700 8.710 0.990 1
1 132 . 6 1 1 A 21 21 SER HA H 21 4.930 5.144 -0.214 1
1 135 . 6 1 1 A 21 21 SER C C 21 172.900 172.301 0.599 1
1 136 . 6 1 1 A 21 21 SER CA C 21 57.300 56.468 0.832 1
1 137 . 6 1 1 A 21 21 SER CB C 21 66.900 66.444 0.456 1
1 138 . 6 1 1 A 21 21 SER N N 21 125.600 121.978 3.622 1
1 139 . 6 1 1 A 22 22 ASN H H 22 9.800 8.803 0.997 1
1 140 . 6 1 1 A 22 22 ASN HA H 22 5.240 5.399 -0.159 1
1 145 . 6 1 1 A 22 22 ASN C C 22 174.200 175.064 -0.864 1
1 146 . 6 1 1 A 22 22 ASN CA C 22 53.500 52.005 1.495 1
1 147 . 6 1 1 A 22 22 ASN CB C 22 43.000 41.465 1.535 1
1 149 . 6 1 1 A 22 22 ASN N N 22 116.100 122.424 -6.324 1
1 151 . 6 1 1 A 23 23 SER H H 23 8.200 8.683 -0.483 1
1 152 . 6 1 1 A 23 23 SER HA H 23 4.370 4.170 0.200 1
1 155 . 6 1 1 A 23 23 SER CA C 23 59.700 62.433 -2.733 1
1 156 . 6 1 1 A 23 23 SER CB C 23 64.500 63.332 1.168 1
1 157 . 6 1 1 A 23 23 SER N N 23 111.800 121.615 -9.815 1
1 158 . 6 1 1 A 24 24 HIS H H 24 9.070 8.456 0.614 1
1 159 . 6 1 1 A 24 24 HIS HA H 24 4.790 4.398 0.392 1
1 164 . 6 1 1 A 24 24 HIS C C 24 175.100 175.938 -0.838 1
1 165 . 6 1 1 A 24 24 HIS CA C 24 57.000 58.883 -1.883 1
1 166 . 6 1 1 A 24 24 HIS CB C 24 31.300 29.955 1.345 1
1 169 . 6 1 1 A 24 24 HIS N N 24 121.900 118.121 3.779 1
1 171 . 6 1 1 A 25 25 ASN H H 25 8.420 8.232 0.188 1
1 172 . 6 1 1 A 25 25 ASN HA H 25 4.710 4.889 -0.179 1
1 177 . 6 1 1 A 25 25 ASN C C 25 173.900 174.684 -0.784 1
1 178 . 6 1 1 A 25 25 ASN CA C 25 52.800 52.894 -0.094 1
1 179 . 6 1 1 A 25 25 ASN CB C 25 39.500 39.747 -0.247 1
1 181 . 6 1 1 A 25 25 ASN N N 25 119.300 116.201 3.099 1
1 183 . 6 1 1 A 26 26 ASP H H 26 8.130 8.822 -0.692 1
1 184 . 6 1 1 A 26 26 ASP HA H 26 4.660 4.762 -0.102 1
1 187 . 6 1 1 A 26 26 ASP C C 26 176.300 176.090 0.210 1
1 188 . 6 1 1 A 26 26 ASP CA C 26 53.600 53.291 0.309 1
1 189 . 6 1 1 A 26 26 ASP CB C 26 40.900 41.044 -0.144 1
1 190 . 6 1 1 A 26 26 ASP N N 26 115.800 122.131 -6.331 1
1 191 . 6 1 1 A 27 27 ALA H H 27 8.330 7.330 1.000 1
1 192 . 6 1 1 A 27 27 ALA HA H 27 4.210 4.228 -0.018 1
1 196 . 6 1 1 A 27 27 ALA C C 27 178.500 177.054 1.446 1
1 197 . 6 1 1 A 27 27 ALA CA C 27 53.100 52.632 0.468 1
1 198 . 6 1 1 A 27 27 ALA CB C 27 19.200 19.270 -0.070 1
1 199 . 6 1 1 A 27 27 ALA N N 27 124.500 121.827 2.673 1
1 200 . 6 1 1 A 28 28 VAL H H 28 8.310 8.622 -0.312 1
1 201 . 6 1 1 A 28 28 VAL HA H 28 4.360 4.656 -0.296 1
1 209 . 6 1 1 A 28 28 VAL CA C 28 61.000 60.269 0.731 1
1 210 . 6 1 1 A 28 28 VAL CB C 28 35.000 35.489 -0.489 1
1 213 . 6 1 1 A 28 28 VAL N N 28 124.500 121.970 2.530 1
1 214 . 6 1 1 A 29 29 ALA H H 29 8.460 8.454 0.006 1
1 215 . 6 1 1 A 29 29 ALA HA H 29 4.590 5.510 -0.920 1
1 219 . 6 1 1 A 29 29 ALA C C 29 175.800 175.839 -0.039 1
1 220 . 6 1 1 A 29 29 ALA CA C 29 50.400 49.652 0.748 1
1 221 . 6 1 1 A 29 29 ALA CB C 29 20.100 22.250 -2.150 1
1 222 . 6 1 1 A 30 30 PHE H H 30 8.640 8.943 -0.303 1
1 223 . 6 1 1 A 30 30 PHE HA H 30 4.870 4.902 -0.032 1
1 231 . 6 1 1 A 30 30 PHE C C 30 175.800 175.418 0.382 1
1 232 . 6 1 1 A 30 30 PHE CA C 30 57.300 56.520 0.780 1
1 233 . 6 1 1 A 30 30 PHE CB C 30 41.600 41.953 -0.353 1
1 239 . 6 1 1 A 30 30 PHE N N 30 122.100 119.562 2.538 1
1 240 . 6 1 1 A 31 31 GLU H H 31 8.670 8.397 0.273 1
1 241 . 6 1 1 A 31 31 GLU HA H 31 3.530 3.843 -0.313 1
1 246 . 6 1 1 A 31 31 GLU C C 31 174.700 175.169 -0.469 1
1 247 . 6 1 1 A 31 31 GLU CA C 31 57.200 57.177 0.023 1
1 248 . 6 1 1 A 31 31 GLU CB C 31 27.600 27.767 -0.167 1
1 250 . 6 1 1 A 31 31 GLU N N 31 118.900 119.549 -0.649 1
1 251 . 6 1 1 A 32 32 VAL H H 32 9.100 7.385 1.715 1
1 252 . 6 1 1 A 32 32 VAL HA H 32 3.770 4.329 -0.559 1
1 260 . 6 1 1 A 32 32 VAL C C 32 175.400 174.724 0.676 1
1 261 . 6 1 1 A 32 32 VAL CA C 32 62.900 61.751 1.149 1
1 262 . 6 1 1 A 32 32 VAL CB C 32 32.200 32.396 -0.196 1
1 265 . 6 1 1 A 32 32 VAL N N 32 122.300 116.092 6.208 1
1 266 . 6 1 1 A 33 33 LYS H H 33 8.330 8.691 -0.361 1
1 267 . 6 1 1 A 33 33 LYS HA H 33 4.980 4.990 -0.010 1
1 276 . 6 1 1 A 33 33 LYS C C 33 176.300 175.433 0.867 1
1 277 . 6 1 1 A 33 33 LYS CA C 33 55.700 55.427 0.273 1
1 278 . 6 1 1 A 33 33 LYS CB C 33 33.500 33.789 -0.289 1
1 282 . 6 1 1 A 33 33 LYS N N 33 128.300 126.094 2.206 1
1 283 . 6 1 1 A 34 34 LEU H H 34 9.140 8.157 0.983 1
1 284 . 6 1 1 A 34 34 LEU HA H 34 4.750 5.015 -0.265 1
1 294 . 6 1 1 A 34 34 LEU C C 34 175.000 176.037 -1.037 1
1 295 . 6 1 1 A 34 34 LEU CA C 34 52.900 53.378 -0.478 1
1 296 . 6 1 1 A 34 34 LEU CB C 34 46.700 45.989 0.711 1
1 300 . 6 1 1 A 34 34 LEU N N 34 126.700 128.223 -1.523 1
1 301 . 6 1 1 A 35 35 ALA H H 35 8.650 8.849 -0.199 1
1 302 . 6 1 1 A 35 35 ALA HA H 35 4.100 4.230 -0.130 1
1 306 . 6 1 1 A 35 35 ALA C C 35 178.000 177.880 0.120 1
1 307 . 6 1 1 A 35 35 ALA CA C 35 52.300 51.995 0.305 1
1 308 . 6 1 1 A 35 35 ALA CB C 35 19.100 18.854 0.246 1
1 309 . 6 1 1 A 35 35 ALA N N 35 126.600 127.228 -0.628 1
1 310 . 6 1 1 A 36 36 LYS H H 36 8.230 8.730 -0.500 1
1 311 . 6 1 1 A 36 36 LYS HA H 36 3.710 4.129 -0.419 1
1 320 . 6 1 1 A 36 36 LYS C C 36 176.000 176.885 -0.885 1
1 321 . 6 1 1 A 36 36 LYS CA C 36 59.800 58.341 1.459 1
1 322 . 6 1 1 A 36 36 LYS CB C 36 33.200 32.004 1.196 1
1 326 . 6 1 1 A 36 36 LYS N N 36 119.200 125.290 -6.090 1
1 327 . 6 1 1 A 37 37 ASP H H 37 8.060 8.052 0.008 1
1 328 . 6 1 1 A 37 37 ASP HA H 37 4.470 4.546 -0.076 1
1 331 . 6 1 1 A 37 37 ASP C C 37 176.800 176.326 0.474 1
1 332 . 6 1 1 A 37 37 ASP CA C 37 53.000 53.986 -0.986 1
1 333 . 6 1 1 A 37 37 ASP CB C 37 39.700 39.867 -0.167 1
1 334 . 6 1 1 A 37 37 ASP N N 37 112.700 116.100 -3.400 1
1 335 . 6 1 1 A 38 38 LEU H H 38 7.170 6.995 0.175 1
1 336 . 6 1 1 A 38 38 LEU HA H 38 4.280 4.217 0.063 1
1 346 . 6 1 1 A 38 38 LEU C C 38 177.600 177.221 0.379 1
1 347 . 6 1 1 A 38 38 LEU CA C 38 55.800 54.895 0.905 1
1 348 . 6 1 1 A 38 38 LEU CB C 38 43.900 42.702 1.198 1
1 352 . 6 1 1 A 38 38 LEU N N 38 122.100 122.618 -0.518 1
1 353 . 6 1 1 A 39 39 THR H H 39 8.430 8.598 -0.168 1
1 354 . 6 1 1 A 39 39 THR HA H 39 5.010 4.755 0.255 1
1 360 . 6 1 1 A 39 39 THR C C 39 176.500 176.263 0.237 1
1 361 . 6 1 1 A 39 39 THR CA C 39 60.900 60.403 0.497 1
1 362 . 6 1 1 A 39 39 THR CB C 39 71.200 71.368 -0.168 1
1 364 . 6 1 1 A 39 39 THR N N 39 112.800 114.895 -2.095 1
1 365 . 6 1 1 A 40 40 VAL H H 40 8.740 8.398 0.342 1
1 366 . 6 1 1 A 40 40 VAL HA H 40 3.530 3.679 -0.149 1
1 374 . 6 1 1 A 40 40 VAL C C 40 178.200 177.306 0.894 1
1 375 . 6 1 1 A 40 40 VAL CA C 40 67.300 66.776 0.524 1
1 376 . 6 1 1 A 40 40 VAL CB C 40 31.600 31.713 -0.113 1
1 379 . 6 1 1 A 40 40 VAL N N 40 123.600 122.293 1.307 1
1 380 . 6 1 1 A 41 41 ALA H H 41 8.520 8.184 0.336 1
1 381 . 6 1 1 A 41 41 ALA HA H 41 3.950 3.897 0.053 1
1 385 . 6 1 1 A 41 41 ALA C C 41 180.700 179.996 0.704 1
1 386 . 6 1 1 A 41 41 ALA CA C 41 56.100 55.833 0.267 1
1 387 . 6 1 1 A 41 41 ALA CB C 41 18.800 18.342 0.458 1
1 388 . 6 1 1 A 41 41 ALA N N 41 121.400 122.250 -0.850 1
1 389 . 6 1 1 A 42 42 GLN H H 42 7.740 7.648 0.092 1
1 390 . 6 1 1 A 42 42 GLN HA H 42 4.060 4.038 0.022 1
1 397 . 6 1 1 A 42 42 GLN C C 42 180.300 178.672 1.628 1
1 398 . 6 1 1 A 42 42 GLN CA C 42 58.600 58.809 -0.209 1
1 399 . 6 1 1 A 42 42 GLN CB C 42 29.200 28.525 0.675 1
1 402 . 6 1 1 A 42 42 GLN N N 42 117.500 118.046 -0.546 1
1 404 . 6 1 1 A 43 43 LEU H H 43 9.210 8.034 1.176 1
1 405 . 6 1 1 A 43 43 LEU HA H 43 3.940 4.111 -0.171 1
1 415 . 6 1 1 A 43 43 LEU C C 43 178.300 178.656 -0.356 1
1 416 . 6 1 1 A 43 43 LEU CA C 43 57.900 57.856 0.044 1
1 417 . 6 1 1 A 43 43 LEU CB C 43 41.300 41.730 -0.430 1
1 421 . 6 1 1 A 43 43 LEU N N 43 123.000 121.587 1.413 1
1 422 . 6 1 1 A 44 44 LYS H H 44 8.740 8.170 0.570 1
1 423 . 6 1 1 A 44 44 LYS HA H 44 3.860 3.953 -0.093 1
1 432 . 6 1 1 A 44 44 LYS C C 44 178.300 179.232 -0.932 1
1 433 . 6 1 1 A 44 44 LYS CA C 44 61.100 59.384 1.716 1
1 434 . 6 1 1 A 44 44 LYS CB C 44 32.800 32.266 0.534 1
1 438 . 6 1 1 A 44 44 LYS N N 44 119.300 118.778 0.522 1
1 439 . 6 1 1 A 45 45 THR H H 45 7.440 7.876 -0.436 1
1 440 . 6 1 1 A 45 45 THR HA H 45 3.930 3.880 0.050 1
1 445 . 6 1 1 A 45 45 THR C C 45 176.700 176.536 0.164 1
1 446 . 6 1 1 A 45 45 THR CA C 45 67.100 67.238 -0.138 1
1 447 . 6 1 1 A 45 45 THR CB C 45 68.800 68.313 0.487 1
1 449 . 6 1 1 A 45 45 THR N N 45 114.000 118.227 -4.227 1
1 450 . 6 1 1 A 46 46 LYS H H 46 7.500 7.896 -0.396 1
1 451 . 6 1 1 A 46 46 LYS HA H 46 4.100 3.997 0.103 1
1 460 . 6 1 1 A 46 46 LYS C C 46 179.700 179.588 0.112 1
1 461 . 6 1 1 A 46 46 LYS CA C 46 59.400 59.864 -0.464 1
1 462 . 6 1 1 A 46 46 LYS CB C 46 32.100 32.341 -0.241 1
1 466 . 6 1 1 A 46 46 LYS N N 46 121.700 120.385 1.315 1
1 467 . 6 1 1 A 47 47 LEU H H 47 9.010 8.593 0.417 1
1 468 . 6 1 1 A 47 47 LEU HA H 47 4.040 3.945 0.095 1
1 478 . 6 1 1 A 47 47 LEU C C 47 180.000 178.805 1.195 1
1 479 . 6 1 1 A 47 47 LEU CA C 47 57.200 58.005 -0.805 1
1 480 . 6 1 1 A 47 47 LEU CB C 47 40.700 41.403 -0.703 1
1 484 . 6 1 1 A 47 47 LEU N N 47 118.000 119.682 -1.682 1
1 485 . 6 1 1 A 48 48 GLU H H 48 8.450 8.803 -0.353 1
1 486 . 6 1 1 A 48 48 GLU HA H 48 4.050 3.989 0.061 1
1 491 . 6 1 1 A 48 48 GLU C C 48 178.800 179.417 -0.617 1
1 492 . 6 1 1 A 48 48 GLU CA C 48 59.700 59.324 0.376 1
1 493 . 6 1 1 A 48 48 GLU CB C 48 29.400 29.577 -0.177 1
1 495 . 6 1 1 A 48 48 GLU N N 48 126.300 120.202 6.098 1
1 496 . 6 1 1 A 49 49 ILE H H 49 7.180 7.699 -0.519 1
1 497 . 6 1 1 A 49 49 ILE HA H 49 3.780 3.668 0.112 1
1 507 . 6 1 1 A 49 49 ILE C C 49 178.000 178.196 -0.196 1
1 508 . 6 1 1 A 49 49 ILE CA C 49 64.000 65.466 -1.466 1
1 509 . 6 1 1 A 49 49 ILE CB C 49 38.100 37.726 0.374 1
1 513 . 6 1 1 A 49 49 ILE N N 49 119.600 119.692 -0.092 1
1 514 . 6 1 1 A 50 50 LEU H H 50 7.520 8.032 -0.512 1
1 515 . 6 1 1 A 50 50 LEU HA H 50 4.160 3.948 0.212 1
1 525 . 6 1 1 A 50 50 LEU C C 50 178.400 178.571 -0.171 1
1 526 . 6 1 1 A 50 50 LEU CA C 50 57.500 58.102 -0.602 1
1 527 . 6 1 1 A 50 50 LEU CB C 50 44.300 41.701 2.599 1
1 531 . 6 1 1 A 50 50 LEU N N 50 116.800 121.477 -4.677 1
1 532 . 6 1 1 A 51 51 THR H H 51 8.160 8.417 -0.257 1
1 533 . 6 1 1 A 51 51 THR HA H 51 4.490 4.422 0.068 1
1 538 . 6 1 1 A 51 51 THR C C 51 175.600 176.245 -0.645 1
1 539 . 6 1 1 A 51 51 THR CA C 51 62.400 62.352 0.048 1
1 540 . 6 1 1 A 51 51 THR CB C 51 72.900 70.692 2.208 1
1 542 . 6 1 1 A 51 51 THR N N 51 104.100 107.214 -3.114 1
1 543 . 6 1 1 A 52 52 GLY H H 52 8.080 8.548 -0.468 1
1 544 . 6 1 1 A 52 52 GLY HA2 H 52 3.830 3.939 -0.109 1
1 545 . 6 1 1 A 52 52 GLY HA3 H 52 4.250 3.940 0.310 1
1 546 . 6 1 1 A 52 52 GLY C C 52 174.800 174.813 -0.013 1
1 547 . 6 1 1 A 52 52 GLY CA C 52 45.500 45.660 -0.160 1
1 548 . 6 1 1 A 52 52 GLY N N 52 112.100 112.229 -0.129 1
1 549 . 6 1 1 A 53 53 GLY H H 53 7.880 7.645 0.235 1
1 550 . 6 1 1 A 53 53 GLY HA2 H 53 3.220 4.010 -0.790 1
1 551 . 6 1 1 A 53 53 GLY HA3 H 53 4.040 4.013 0.027 1
1 552 . 6 1 1 A 53 53 GLY C C 53 170.900 172.426 -1.526 1
1 553 . 6 1 1 A 53 53 GLY CA C 53 44.300 44.366 -0.066 1
1 554 . 6 1 1 A 53 53 GLY N N 53 107.000 107.833 -0.833 1
1 555 . 6 1 1 A 54 54 CYS H H 54 8.690 8.323 0.367 1
1 556 . 6 1 1 A 54 54 CYS HA H 54 4.430 4.770 -0.340 1
1 559 . 6 1 1 A 54 54 CYS C C 54 176.100 176.002 0.098 1
1 560 . 6 1 1 A 54 54 CYS CA C 54 57.900 57.750 0.150 1
1 561 . 6 1 1 A 54 54 CYS CB C 54 27.800 29.439 -1.639 1
1 562 . 6 1 1 A 54 54 CYS N N 54 120.200 118.704 1.496 1
1 563 . 6 1 1 A 55 55 ALA H H 55 10.100 8.819 1.281 1
1 564 . 6 1 1 A 55 55 ALA HA H 55 3.890 3.911 -0.021 1
1 568 . 6 1 1 A 55 55 ALA C C 55 178.900 179.543 -0.643 1
1 569 . 6 1 1 A 55 55 ALA CA C 55 55.700 55.104 0.596 1
1 570 . 6 1 1 A 55 55 ALA CB C 55 18.500 18.418 0.082 1
1 571 . 6 1 1 A 55 55 ALA N N 55 133.900 130.409 3.491 1
1 572 . 6 1 1 A 56 56 GLY H H 56 8.380 7.946 0.434 1
1 573 . 6 1 1 A 56 56 GLY HA2 H 56 3.910 3.757 0.153 1
1 574 . 6 1 1 A 56 56 GLY HA3 H 56 3.910 3.758 0.152 1
1 575 . 6 1 1 A 56 56 GLY C C 56 174.600 175.227 -0.627 1
1 576 . 6 1 1 A 56 56 GLY CA C 56 45.900 47.009 -1.109 1
1 577 . 6 1 1 A 56 56 GLY N N 56 104.300 105.460 -1.160 1
1 578 . 6 1 1 A 57 57 THR H H 57 7.310 7.265 0.045 1
1 579 . 6 1 1 A 57 57 THR HA H 57 4.520 4.447 0.073 1
1 584 . 6 1 1 A 57 57 THR C C 57 175.500 174.166 1.334 1
1 585 . 6 1 1 A 57 57 THR CA C 57 61.400 62.029 -0.629 1
1 586 . 6 1 1 A 57 57 THR CB C 57 69.900 69.775 0.125 1
1 588 . 6 1 1 A 57 57 THR N N 57 107.700 110.147 -2.447 1
1 589 . 6 1 1 A 58 58 MET H H 58 7.910 7.434 0.476 1
1 590 . 6 1 1 A 58 58 MET HA H 58 4.540 4.786 -0.246 1
1 598 . 6 1 1 A 58 58 MET C C 58 175.100 174.830 0.270 1
1 599 . 6 1 1 A 58 58 MET CA C 58 56.900 54.517 2.383 1
1 600 . 6 1 1 A 58 58 MET CB C 58 33.700 34.072 -0.372 1
1 603 . 6 1 1 A 58 58 MET N N 58 120.700 123.104 -2.404 1
1 604 . 6 1 1 A 59 59 LYS H H 59 8.780 8.694 0.086 1
1 605 . 6 1 1 A 59 59 LYS HA H 59 4.610 4.958 -0.348 1
1 614 . 6 1 1 A 59 59 LYS C C 59 174.500 175.026 -0.526 1
1 615 . 6 1 1 A 59 59 LYS CA C 59 54.500 54.648 -0.148 1
1 616 . 6 1 1 A 59 59 LYS CB C 59 34.700 35.795 -1.095 1
1 620 . 6 1 1 A 59 59 LYS N N 59 122.400 125.907 -3.507 1
1 621 . 6 1 1 A 60 60 VAL H H 60 8.740 8.523 0.217 1
1 622 . 6 1 1 A 60 60 VAL HA H 60 4.700 4.884 -0.184 1
1 630 . 6 1 1 A 60 60 VAL C C 60 175.000 175.279 -0.279 1
1 631 . 6 1 1 A 60 60 VAL CA C 60 61.300 61.003 0.297 1
1 632 . 6 1 1 A 60 60 VAL CB C 60 33.400 33.961 -0.561 1
1 635 . 6 1 1 A 60 60 VAL N N 60 122.100 121.732 0.368 1
1 636 . 6 1 1 A 61 61 GLN H H 61 9.250 8.670 0.580 1
1 637 . 6 1 1 A 61 61 GLN HA H 61 4.790 4.987 -0.197 1
1 644 . 6 1 1 A 61 61 GLN C C 61 174.700 174.638 0.062 1
1 645 . 6 1 1 A 61 61 GLN CA C 61 54.200 53.960 0.240 1
1 646 . 6 1 1 A 61 61 GLN CB C 61 32.800 32.408 0.392 1
1 649 . 6 1 1 A 61 61 GLN N N 61 126.400 125.798 0.602 1
1 651 . 6 1 1 A 62 62 VAL H H 62 8.690 8.469 0.221 1
1 652 . 6 1 1 A 62 62 VAL HA H 62 4.650 4.580 0.070 1
1 660 . 6 1 1 A 62 62 VAL C C 62 174.700 175.036 -0.336 1
1 661 . 6 1 1 A 62 62 VAL CA C 62 61.800 61.478 0.322 1
1 662 . 6 1 1 A 62 62 VAL CB C 62 32.500 32.011 0.489 1
1 665 . 6 1 1 A 62 62 VAL N N 62 121.700 123.133 -1.433 1
1 666 . 6 1 1 A 63 63 PHE H H 63 10.020 9.249 0.771 1
1 667 . 6 1 1 A 63 63 PHE HA H 63 5.170 5.212 -0.042 1
1 675 . 6 1 1 A 63 63 PHE C C 63 175.100 174.503 0.597 1
1 676 . 6 1 1 A 63 63 PHE CA C 63 56.800 55.849 0.951 1
1 677 . 6 1 1 A 63 63 PHE CB C 63 42.900 43.675 -0.775 1
1 683 . 6 1 1 A 63 63 PHE N N 63 127.100 126.184 0.916 1
1 684 . 6 1 1 A 64 64 LYS H H 64 8.710 8.512 0.198 1
1 685 . 6 1 1 A 64 64 LYS HA H 64 4.650 4.670 -0.020 1
1 694 . 6 1 1 A 64 64 LYS C C 64 176.900 176.537 0.363 1
1 695 . 6 1 1 A 64 64 LYS CA C 64 55.100 55.290 -0.190 1
1 696 . 6 1 1 A 64 64 LYS CB C 64 34.100 34.074 0.026 1
1 700 . 6 1 1 A 64 64 LYS N N 64 123.900 123.183 0.717 1
1 701 . 6 1 1 A 65 65 GLY H H 65 9.160 9.086 0.074 1
1 702 . 6 1 1 A 65 65 GLY HA2 H 65 3.680 3.884 -0.204 1
1 703 . 6 1 1 A 65 65 GLY HA3 H 65 4.050 3.889 0.161 1
1 704 . 6 1 1 A 65 65 GLY C C 65 174.600 174.462 0.138 1
1 705 . 6 1 1 A 65 65 GLY CA C 65 47.200 47.248 -0.048 1
1 706 . 6 1 1 A 65 65 GLY N N 65 118.800 116.716 2.084 1
1 707 . 6 1 1 A 66 66 ASP H H 66 8.760 8.846 -0.086 1
1 708 . 6 1 1 A 66 66 ASP HA H 66 4.700 4.747 -0.047 1
1 711 . 6 1 1 A 66 66 ASP C C 66 176.000 175.520 0.480 1
1 712 . 6 1 1 A 66 66 ASP CA C 66 54.300 53.806 0.494 1
1 713 . 6 1 1 A 66 66 ASP CB C 66 41.300 41.401 -0.101 1
1 714 . 6 1 1 A 66 66 ASP N N 66 126.400 126.730 -0.330 1
1 715 . 6 1 1 A 67 67 THR H H 67 8.020 7.303 0.717 1
1 716 . 6 1 1 A 67 67 THR HA H 67 4.300 4.955 -0.655 1
1 721 . 6 1 1 A 67 67 THR C C 67 172.100 173.649 -1.549 1
1 722 . 6 1 1 A 67 67 THR CA C 67 62.400 61.341 1.059 1
1 723 . 6 1 1 A 67 67 THR CB C 67 70.700 71.422 -0.722 1
1 725 . 6 1 1 A 67 67 THR N N 67 117.500 113.344 4.156 1
1 726 . 6 1 1 A 68 68 CYS H H 68 8.940 8.927 0.013 1
1 727 . 6 1 1 A 68 68 CYS HA H 68 3.400 4.490 -1.090 1
1 730 . 6 1 1 A 68 68 CYS C C 68 174.900 174.815 0.085 1
1 731 . 6 1 1 A 68 68 CYS CA C 68 58.700 58.982 -0.282 1
1 732 . 6 1 1 A 68 68 CYS CB C 68 25.600 27.726 -2.126 1
1 733 . 6 1 1 A 68 68 CYS N N 68 129.500 125.188 4.312 1
1 734 . 6 1 1 A 69 69 VAL H H 69 9.090 8.405 0.685 1
1 735 . 6 1 1 A 69 69 VAL HA H 69 4.150 3.964 0.186 1
1 743 . 6 1 1 A 69 69 VAL C C 69 176.300 176.179 0.121 1
1 744 . 6 1 1 A 69 69 VAL CA C 69 62.900 63.980 -1.080 1
1 745 . 6 1 1 A 69 69 VAL CB C 69 32.800 32.361 0.439 1
1 748 . 6 1 1 A 69 69 VAL N N 69 127.500 125.313 2.187 1
1 749 . 6 1 1 A 70 70 SER H H 70 7.640 7.502 0.138 1
1 750 . 6 1 1 A 70 70 SER HA H 70 4.550 4.612 -0.062 1
1 753 . 6 1 1 A 70 70 SER C C 70 172.300 171.578 0.722 1
1 754 . 6 1 1 A 70 70 SER CA C 70 58.700 57.540 1.160 1
1 755 . 6 1 1 A 70 70 SER CB C 70 65.100 65.157 -0.057 1
1 756 . 6 1 1 A 70 70 SER N N 70 113.400 110.332 3.068 1
1 757 . 6 1 1 A 71 71 THR H H 71 8.220 8.553 -0.333 1
1 758 . 6 1 1 A 71 71 THR HA H 71 4.580 4.591 -0.011 1
1 763 . 6 1 1 A 71 71 THR C C 71 174.000 174.263 -0.263 1
1 764 . 6 1 1 A 71 71 THR CA C 71 61.800 61.116 0.684 1
1 765 . 6 1 1 A 71 71 THR CB C 71 70.500 70.499 0.001 1
1 767 . 6 1 1 A 71 71 THR N N 71 114.500 115.532 -1.032 1
1 768 . 6 1 1 A 72 72 MET H H 72 8.260 8.776 -0.516 1
1 769 . 6 1 1 A 72 72 MET HA H 72 2.990 4.010 -1.020 1
1 777 . 6 1 1 A 72 72 MET C C 72 175.700 176.357 -0.657 1
1 778 . 6 1 1 A 72 72 MET CA C 72 55.100 54.032 1.068 1
1 779 . 6 1 1 A 72 72 MET CB C 72 30.200 30.770 -0.570 1
1 782 . 6 1 1 A 72 72 MET N N 72 121.800 125.620 -3.820 1
1 783 . 6 1 1 A 73 73 ASP H H 73 7.830 8.489 -0.659 1
1 784 . 6 1 1 A 73 73 ASP HA H 73 4.370 4.662 -0.292 1
1 787 . 6 1 1 A 73 73 ASP C C 73 175.100 176.049 -0.949 1
1 788 . 6 1 1 A 73 73 ASP CA C 73 55.800 54.383 1.417 1
1 789 . 6 1 1 A 73 73 ASP CB C 73 41.800 41.887 -0.087 1
1 790 . 6 1 1 A 73 73 ASP N N 73 125.100 122.925 2.175 1
1 791 . 6 1 1 A 74 74 ASN H H 74 7.480 7.642 -0.162 1
1 792 . 6 1 1 A 74 74 ASN HA H 74 4.890 4.979 -0.089 1
1 797 . 6 1 1 A 74 74 ASN C C 74 175.800 175.326 0.474 1
1 798 . 6 1 1 A 74 74 ASN CA C 74 51.600 52.766 -1.166 1
1 799 . 6 1 1 A 74 74 ASN CB C 74 38.800 38.160 0.640 1
1 801 . 6 1 1 A 74 74 ASN N N 74 116.400 118.897 -2.497 1
1 803 . 6 1 1 A 75 75 ASN H H 75 8.870 9.013 -0.143 1
1 804 . 6 1 1 A 75 75 ASN HA H 75 4.390 4.420 -0.030 1
1 809 . 6 1 1 A 75 75 ASN C C 75 175.700 176.919 -1.219 1
1 810 . 6 1 1 A 75 75 ASN CA C 75 55.600 56.239 -0.639 1
1 811 . 6 1 1 A 75 75 ASN CB C 75 39.200 38.219 0.981 1
1 813 . 6 1 1 A 75 75 ASN N N 75 123.600 124.306 -0.706 1
1 815 . 6 1 1 A 76 76 ASP H H 76 8.060 7.841 0.219 1
1 816 . 6 1 1 A 76 76 ASP HA H 76 4.750 4.472 0.278 1
1 819 . 6 1 1 A 76 76 ASP C C 76 176.200 176.305 -0.105 1
1 820 . 6 1 1 A 76 76 ASP CA C 76 54.200 55.536 -1.336 1
1 821 . 6 1 1 A 76 76 ASP CB C 76 41.700 40.584 1.116 1
1 822 . 6 1 1 A 76 76 ASP N N 76 115.100 117.053 -1.953 1
1 823 . 6 1 1 A 77 77 ALA H H 77 7.140 7.382 -0.242 1
1 824 . 6 1 1 A 77 77 ALA HA H 77 4.160 4.099 0.061 1
1 828 . 6 1 1 A 77 77 ALA C C 77 176.100 177.189 -1.089 1
1 829 . 6 1 1 A 77 77 ALA CA C 77 51.400 51.597 -0.197 1
1 830 . 6 1 1 A 77 77 ALA CB C 77 20.100 19.895 0.205 1
1 831 . 6 1 1 A 77 77 ALA N N 77 122.600 121.521 1.079 1
1 832 . 6 1 1 A 78 78 GLN H H 78 8.090 8.952 -0.862 1
1 833 . 6 1 1 A 78 78 GLN HA H 78 4.750 4.530 0.220 1
1 840 . 6 1 1 A 78 78 GLN C C 78 177.900 177.802 0.098 1
1 841 . 6 1 1 A 78 78 GLN CA C 78 55.200 55.163 0.037 1
1 842 . 6 1 1 A 78 78 GLN CB C 78 29.500 29.664 -0.164 1
1 845 . 6 1 1 A 78 78 GLN N N 78 116.500 120.330 -3.830 1
1 847 . 6 1 1 A 79 79 LEU H H 79 9.380 9.138 0.242 1
1 848 . 6 1 1 A 79 79 LEU HA H 79 4.060 4.182 -0.122 1
1 858 . 6 1 1 A 79 79 LEU C C 79 179.200 179.186 0.014 1
1 859 . 6 1 1 A 79 79 LEU CA C 79 58.900 58.001 0.899 1
1 860 . 6 1 1 A 79 79 LEU CB C 79 42.000 41.564 0.436 1
1 864 . 6 1 1 A 79 79 LEU N N 79 123.800 126.113 -2.313 1
1 865 . 6 1 1 A 80 80 GLY H H 80 9.130 8.056 1.074 1
1 866 . 6 1 1 A 80 80 GLY HA2 H 80 3.750 3.922 -0.172 1
1 867 . 6 1 1 A 80 80 GLY HA3 H 80 4.160 3.941 0.219 1
1 868 . 6 1 1 A 80 80 GLY C C 80 174.100 175.040 -0.940 1
1 869 . 6 1 1 A 80 80 GLY CA C 80 45.600 46.170 -0.570 1
1 870 . 6 1 1 A 80 80 GLY N N 80 104.000 106.222 -2.222 1
1 871 . 6 1 1 A 81 81 TYR H H 81 7.900 8.026 -0.126 1
1 872 . 6 1 1 A 81 81 TYR HA H 81 4.000 3.933 0.067 1
1 879 . 6 1 1 A 81 81 TYR C C 81 176.300 176.609 -0.309 1
1 880 . 6 1 1 A 81 81 TYR CA C 81 60.600 60.754 -0.154 1
1 881 . 6 1 1 A 81 81 TYR CB C 81 38.700 38.206 0.494 1
1 886 . 6 1 1 A 81 81 TYR N N 81 120.300 122.699 -2.399 1
1 887 . 6 1 1 A 82 82 TYR H H 82 7.430 7.950 -0.520 1
1 888 . 6 1 1 A 82 82 TYR HA H 82 4.340 4.562 -0.222 1
1 895 . 6 1 1 A 82 82 TYR C C 82 175.500 176.085 -0.585 1
1 896 . 6 1 1 A 82 82 TYR CA C 82 58.700 59.476 -0.776 1
1 897 . 6 1 1 A 82 82 TYR CB C 82 41.500 40.053 1.447 1
1 902 . 6 1 1 A 82 82 TYR N N 82 114.000 115.782 -1.782 1
1 903 . 6 1 1 A 83 83 ALA H H 83 8.430 7.541 0.889 1
1 904 . 6 1 1 A 83 83 ALA HA H 83 4.380 4.271 0.109 1
1 908 . 6 1 1 A 83 83 ALA C C 83 173.400 177.162 -3.762 1
1 909 . 6 1 1 A 83 83 ALA CA C 83 51.000 53.041 -2.041 1
1 910 . 6 1 1 A 83 83 ALA CB C 83 19.500 19.331 0.169 1
1 911 . 6 1 1 A 83 83 ALA N N 83 122.900 121.079 1.821 1
1 912 . 6 1 1 A 84 84 ASN H H 84 8.050 8.718 -0.668 1
1 913 . 6 1 1 A 84 84 ASN HA H 84 4.760 5.011 -0.251 1
1 918 . 6 1 1 A 84 84 ASN C C 84 174.600 173.955 0.645 1
1 919 . 6 1 1 A 84 84 ASN CA C 84 52.200 52.534 -0.334 1
1 920 . 6 1 1 A 84 84 ASN CB C 84 39.300 39.733 -0.433 1
1 922 . 6 1 1 A 84 84 ASN N N 84 117.300 121.389 -4.089 1
1 924 . 6 1 1 A 85 85 SER H H 85 7.180 7.764 -0.584 1
1 925 . 6 1 1 A 85 85 SER HA H 85 4.670 4.806 -0.136 1
1 928 . 6 1 1 A 85 85 SER C C 85 172.000 171.860 0.140 1
1 929 . 6 1 1 A 85 85 SER CA C 85 56.900 56.814 0.086 1
1 930 . 6 1 1 A 85 85 SER CB C 85 66.000 65.888 0.112 1
1 931 . 6 1 1 A 85 85 SER N N 85 112.200 114.323 -2.123 1
1 932 . 6 1 1 A 86 86 ASP H H 86 8.320 8.739 -0.419 1
1 933 . 6 1 1 A 86 86 ASP HA H 86 4.920 4.691 0.229 1
1 936 . 6 1 1 A 86 86 ASP C C 86 178.100 176.787 1.313 1
1 937 . 6 1 1 A 86 86 ASP CA C 86 55.000 54.846 0.154 1
1 938 . 6 1 1 A 86 86 ASP CB C 86 42.000 41.321 0.679 1
1 939 . 6 1 1 A 86 86 ASP N N 86 119.100 126.007 -6.907 1
1 940 . 6 1 1 A 87 87 GLY H H 87 8.910 8.613 0.297 1
1 941 . 6 1 1 A 87 87 GLY HA2 H 87 3.850 4.003 -0.153 1
1 942 . 6 1 1 A 87 87 GLY HA3 H 87 4.110 4.012 0.098 1
1 943 . 6 1 1 A 87 87 GLY C C 87 175.400 175.018 0.382 1
1 944 . 6 1 1 A 87 87 GLY CA C 87 46.100 44.934 1.166 1
1 945 . 6 1 1 A 87 87 GLY N N 87 107.900 113.784 -5.884 1
1 946 . 6 1 1 A 88 88 LEU H H 88 8.290 7.882 0.408 1
1 947 . 6 1 1 A 88 88 LEU HA H 88 4.740 4.397 0.343 1
1 957 . 6 1 1 A 88 88 LEU C C 88 175.000 176.085 -1.085 1
1 958 . 6 1 1 A 88 88 LEU CA C 88 54.500 54.838 -0.338 1
1 959 . 6 1 1 A 88 88 LEU CB C 88 43.200 42.512 0.688 1
1 963 . 6 1 1 A 88 88 LEU N N 88 120.300 122.812 -2.512 1
1 964 . 6 1 1 A 89 89 ARG H H 89 8.880 8.513 0.367 1
1 965 . 6 1 1 A 89 89 ARG HA H 89 5.300 5.034 0.266 1
1 973 . 6 1 1 A 89 89 ARG C C 89 174.900 174.599 0.301 1
1 974 . 6 1 1 A 89 89 ARG CA C 89 53.600 54.672 -1.072 1
1 975 . 6 1 1 A 89 89 ARG CB C 89 34.300 33.427 0.873 1
1 979 . 6 1 1 A 89 89 ARG N N 89 121.200 123.073 -1.873 1
1 981 . 6 1 1 A 90 90 LEU H H 90 9.250 9.604 -0.354 1
1 982 . 6 1 1 A 90 90 LEU HA H 90 5.270 5.121 0.149 1
1 992 . 6 1 1 A 90 90 LEU C C 90 173.700 175.370 -1.670 1
1 993 . 6 1 1 A 90 90 LEU CA C 90 52.900 53.294 -0.394 1
1 994 . 6 1 1 A 90 90 LEU CB C 90 42.000 43.022 -1.022 1
1 998 . 6 1 1 A 90 90 LEU N N 90 125.500 128.590 -3.090 1
1 999 . 6 1 1 A 91 91 HIS H H 91 9.600 9.085 0.515 1
1 1000 . 6 1 1 A 91 91 HIS HA H 91 5.280 5.212 0.068 1
1 1005 . 6 1 1 A 91 91 HIS C C 91 174.300 173.635 0.665 1
1 1006 . 6 1 1 A 91 91 HIS CA C 91 54.500 54.251 0.249 1
1 1007 . 6 1 1 A 91 91 HIS CB C 91 35.200 32.688 2.512 1
1 1010 . 6 1 1 A 91 91 HIS N N 91 124.800 125.223 -0.423 1
1 1013 . 6 1 1 A 92 92 VAL H H 92 8.300 8.951 -0.651 1
1 1014 . 6 1 1 A 92 92 VAL HA H 92 4.110 4.377 -0.267 1
1 1022 . 6 1 1 A 92 92 VAL C C 92 174.200 174.577 -0.377 1
1 1023 . 6 1 1 A 92 92 VAL CA C 92 62.900 61.557 1.343 1
1 1024 . 6 1 1 A 92 92 VAL CB C 92 32.600 32.859 -0.259 1
1 1027 . 6 1 1 A 92 92 VAL N N 92 128.400 126.954 1.446 1
1 1028 . 6 1 1 A 93 93 VAL H H 93 8.950 8.728 0.222 1
1 1029 . 6 1 1 A 93 93 VAL HA H 93 4.170 4.561 -0.391 1
1 1037 . 6 1 1 A 93 93 VAL C C 93 175.600 174.376 1.224 1
1 1038 . 6 1 1 A 93 93 VAL CA C 93 61.100 61.512 -0.412 1
1 1039 . 6 1 1 A 93 93 VAL CB C 93 33.300 32.371 0.929 1
1 1042 . 6 1 1 A 93 93 VAL N N 93 127.800 128.590 -0.790 1
1 1043 . 6 1 1 A 94 94 ASP H H 94 8.280 8.900 -0.620 1
1 1044 . 6 1 1 A 94 94 ASP HA H 94 4.850 5.528 -0.678 1
1 1047 . 6 1 1 A 94 94 ASP C C 94 174.700 174.564 0.136 1
1 1048 . 6 1 1 A 94 94 ASP CA C 94 53.800 52.548 1.252 1
1 1049 . 6 1 1 A 94 94 ASP CB C 94 42.500 43.772 -1.272 1
1 1050 . 6 1 1 A 94 94 ASP N N 94 127.100 128.230 -1.130 1
1 1 . 7 1 1 A 11 11 GLY C C 11 174.100 174.339 -0.239 1
1 2 . 7 1 1 A 11 11 GLY CA C 11 45.300 45.714 -0.414 1
1 3 . 7 1 1 A 12 12 LYS H H 12 8.180 8.741 -0.561 1
1 4 . 7 1 1 A 12 12 LYS HA H 12 4.320 4.081 0.239 1
1 13 . 7 1 1 A 12 12 LYS C C 12 176.700 176.966 -0.266 1
1 14 . 7 1 1 A 12 12 LYS CA C 12 56.400 58.423 -2.023 1
1 15 . 7 1 1 A 12 12 LYS CB C 12 33.200 31.183 2.017 1
1 19 . 7 1 1 A 12 12 LYS N N 12 120.600 116.547 4.053 1
1 20 . 7 1 1 A 13 13 SER H H 13 8.360 8.888 -0.528 1
1 21 . 7 1 1 A 13 13 SER HA H 13 4.450 4.451 -0.001 1
1 24 . 7 1 1 A 13 13 SER C C 13 173.800 173.879 -0.079 1
1 25 . 7 1 1 A 13 13 SER CA C 13 58.000 59.487 -1.487 1
1 26 . 7 1 1 A 13 13 SER CB C 13 63.900 61.305 2.595 1
1 27 . 7 1 1 A 13 13 SER N N 13 116.300 117.269 -0.969 1
1 28 . 7 1 1 A 14 14 ASP H H 14 8.450 7.587 0.863 1
1 29 . 7 1 1 A 14 14 ASP HA H 14 4.670 4.500 0.170 1
1 32 . 7 1 1 A 14 14 ASP C C 14 175.100 174.202 0.898 1
1 33 . 7 1 1 A 14 14 ASP CA C 14 54.400 52.677 1.723 1
1 34 . 7 1 1 A 14 14 ASP CB C 14 41.500 38.954 2.546 1
1 35 . 7 1 1 A 14 14 ASP N N 14 122.400 121.864 0.536 1
1 36 . 7 1 1 A 15 15 PHE H H 15 8.110 7.776 0.334 1
1 37 . 7 1 1 A 15 15 PHE HA H 15 5.290 5.528 -0.238 1
1 45 . 7 1 1 A 15 15 PHE C C 15 175.000 174.871 0.129 1
1 46 . 7 1 1 A 15 15 PHE CA C 15 56.600 56.648 -0.048 1
1 47 . 7 1 1 A 15 15 PHE CB C 15 42.600 43.728 -1.128 1
1 53 . 7 1 1 A 15 15 PHE N N 15 118.500 120.685 -2.185 1
1 54 . 7 1 1 A 16 16 ILE H H 16 9.160 8.770 0.390 1
1 55 . 7 1 1 A 16 16 ILE HA H 16 4.710 5.047 -0.337 1
1 65 . 7 1 1 A 16 16 ILE C C 16 173.400 173.803 -0.403 1
1 66 . 7 1 1 A 16 16 ILE CA C 16 59.300 59.018 0.282 1
1 67 . 7 1 1 A 16 16 ILE CB C 16 42.100 41.934 0.166 1
1 71 . 7 1 1 A 16 16 ILE N N 16 116.700 116.979 -0.279 1
1 72 . 7 1 1 A 17 17 LYS H H 17 8.530 8.891 -0.361 1
1 73 . 7 1 1 A 17 17 LYS HA H 17 5.220 4.979 0.241 1
1 82 . 7 1 1 A 17 17 LYS C C 17 176.400 175.950 0.450 1
1 83 . 7 1 1 A 17 17 LYS CA C 17 54.900 55.195 -0.295 1
1 84 . 7 1 1 A 17 17 LYS CB C 17 34.100 34.069 0.031 1
1 88 . 7 1 1 A 17 17 LYS N N 17 123.200 123.485 -0.285 1
1 89 . 7 1 1 A 18 18 VAL H H 18 8.900 8.951 -0.051 1
1 90 . 7 1 1 A 18 18 VAL HA H 18 4.990 4.981 0.009 1
1 98 . 7 1 1 A 18 18 VAL C C 18 174.300 174.372 -0.072 1
1 99 . 7 1 1 A 18 18 VAL CA C 18 58.600 58.767 -0.167 1
1 100 . 7 1 1 A 18 18 VAL CB C 18 35.600 36.196 -0.596 1
1 103 . 7 1 1 A 18 18 VAL N N 18 117.500 120.338 -2.838 1
1 104 . 7 1 1 A 19 19 ASN H H 19 7.830 8.404 -0.574 1
1 105 . 7 1 1 A 19 19 ASN HA H 19 5.780 5.464 0.316 1
1 110 . 7 1 1 A 19 19 ASN C C 19 175.300 174.209 1.091 1
1 111 . 7 1 1 A 19 19 ASN CA C 19 51.000 52.132 -1.132 1
1 112 . 7 1 1 A 19 19 ASN CB C 19 39.500 40.825 -1.325 1
1 114 . 7 1 1 A 19 19 ASN N N 19 117.700 119.087 -1.387 1
1 116 . 7 1 1 A 20 20 VAL H H 20 9.140 8.155 0.985 1
1 117 . 7 1 1 A 20 20 VAL HA H 20 5.480 4.924 0.556 1
1 125 . 7 1 1 A 20 20 VAL C C 20 174.900 174.594 0.306 1
1 126 . 7 1 1 A 20 20 VAL CA C 20 61.100 60.618 0.482 1
1 127 . 7 1 1 A 20 20 VAL CB C 20 35.000 34.307 0.693 1
1 130 . 7 1 1 A 20 20 VAL N N 20 120.600 122.979 -2.379 1
1 131 . 7 1 1 A 21 21 SER H H 21 9.700 8.535 1.165 1
1 132 . 7 1 1 A 21 21 SER HA H 21 4.930 5.425 -0.495 1
1 135 . 7 1 1 A 21 21 SER C C 21 172.900 172.836 0.064 1
1 136 . 7 1 1 A 21 21 SER CA C 21 57.300 57.143 0.157 1
1 137 . 7 1 1 A 21 21 SER CB C 21 66.900 66.157 0.743 1
1 138 . 7 1 1 A 21 21 SER N N 21 125.600 122.746 2.854 1
1 139 . 7 1 1 A 22 22 ASN H H 22 9.800 8.987 0.813 1
1 140 . 7 1 1 A 22 22 ASN HA H 22 5.240 5.509 -0.269 1
1 145 . 7 1 1 A 22 22 ASN C C 22 174.200 174.242 -0.042 1
1 146 . 7 1 1 A 22 22 ASN CA C 22 53.500 51.285 2.215 1
1 147 . 7 1 1 A 22 22 ASN CB C 22 43.000 42.357 0.643 1
1 149 . 7 1 1 A 22 22 ASN N N 22 116.100 118.600 -2.500 1
1 151 . 7 1 1 A 23 23 SER H H 23 8.200 8.464 -0.264 1
1 152 . 7 1 1 A 23 23 SER HA H 23 4.370 4.763 -0.393 1
1 155 . 7 1 1 A 23 23 SER CA C 23 59.700 57.645 2.055 1
1 156 . 7 1 1 A 23 23 SER CB C 23 64.500 64.735 -0.235 1
1 157 . 7 1 1 A 23 23 SER N N 23 111.800 115.201 -3.401 1
1 158 . 7 1 1 A 24 24 HIS H H 24 9.070 8.461 0.609 1
1 159 . 7 1 1 A 24 24 HIS HA H 24 4.790 4.044 0.746 1
1 164 . 7 1 1 A 24 24 HIS C C 24 175.100 173.405 1.695 1
1 165 . 7 1 1 A 24 24 HIS CA C 24 57.000 57.203 -0.203 1
1 166 . 7 1 1 A 24 24 HIS CB C 24 31.300 27.421 3.879 1
1 169 . 7 1 1 A 24 24 HIS N N 24 121.900 116.084 5.816 1
1 171 . 7 1 1 A 25 25 ASN H H 25 8.420 7.824 0.596 1
1 172 . 7 1 1 A 25 25 ASN HA H 25 4.710 4.891 -0.181 1
1 177 . 7 1 1 A 25 25 ASN C C 25 173.900 174.908 -1.008 1
1 178 . 7 1 1 A 25 25 ASN CA C 25 52.800 52.781 0.019 1
1 179 . 7 1 1 A 25 25 ASN CB C 25 39.500 41.084 -1.584 1
1 181 . 7 1 1 A 25 25 ASN N N 25 119.300 116.560 2.740 1
1 183 . 7 1 1 A 26 26 ASP H H 26 8.130 9.148 -1.018 1
1 184 . 7 1 1 A 26 26 ASP HA H 26 4.660 4.591 0.069 1
1 187 . 7 1 1 A 26 26 ASP C C 26 176.300 176.040 0.260 1
1 188 . 7 1 1 A 26 26 ASP CA C 26 53.600 54.629 -1.029 1
1 189 . 7 1 1 A 26 26 ASP CB C 26 40.900 40.319 0.581 1
1 190 . 7 1 1 A 26 26 ASP N N 26 115.800 123.522 -7.722 1
1 191 . 7 1 1 A 27 27 ALA H H 27 8.330 7.417 0.913 1
1 192 . 7 1 1 A 27 27 ALA HA H 27 4.210 4.295 -0.085 1
1 196 . 7 1 1 A 27 27 ALA C C 27 178.500 176.729 1.771 1
1 197 . 7 1 1 A 27 27 ALA CA C 27 53.100 51.622 1.478 1
1 198 . 7 1 1 A 27 27 ALA CB C 27 19.200 19.698 -0.498 1
1 199 . 7 1 1 A 27 27 ALA N N 27 124.500 123.252 1.248 1
1 200 . 7 1 1 A 28 28 VAL H H 28 8.310 8.502 -0.192 1
1 201 . 7 1 1 A 28 28 VAL HA H 28 4.360 4.566 -0.206 1
1 209 . 7 1 1 A 28 28 VAL CA C 28 61.000 60.111 0.889 1
1 210 . 7 1 1 A 28 28 VAL CB C 28 35.000 34.727 0.273 1
1 213 . 7 1 1 A 28 28 VAL N N 28 124.500 123.482 1.018 1
1 214 . 7 1 1 A 29 29 ALA H H 29 8.460 8.357 0.103 1
1 215 . 7 1 1 A 29 29 ALA HA H 29 4.590 5.423 -0.833 1
1 219 . 7 1 1 A 29 29 ALA C C 29 175.800 175.925 -0.125 1
1 220 . 7 1 1 A 29 29 ALA CA C 29 50.400 49.681 0.719 1
1 221 . 7 1 1 A 29 29 ALA CB C 29 20.100 22.454 -2.354 1
1 222 . 7 1 1 A 30 30 PHE H H 30 8.640 8.868 -0.228 1
1 223 . 7 1 1 A 30 30 PHE HA H 30 4.870 4.984 -0.114 1
1 231 . 7 1 1 A 30 30 PHE C C 30 175.800 175.414 0.386 1
1 232 . 7 1 1 A 30 30 PHE CA C 30 57.300 56.323 0.977 1
1 233 . 7 1 1 A 30 30 PHE CB C 30 41.600 42.351 -0.751 1
1 239 . 7 1 1 A 30 30 PHE N N 30 122.100 118.205 3.895 1
1 240 . 7 1 1 A 31 31 GLU H H 31 8.670 8.851 -0.181 1
1 241 . 7 1 1 A 31 31 GLU HA H 31 3.530 3.821 -0.291 1
1 246 . 7 1 1 A 31 31 GLU C C 31 174.700 174.889 -0.189 1
1 247 . 7 1 1 A 31 31 GLU CA C 31 57.200 57.140 0.060 1
1 248 . 7 1 1 A 31 31 GLU CB C 31 27.600 28.097 -0.497 1
1 250 . 7 1 1 A 31 31 GLU N N 31 118.900 118.514 0.386 1
1 251 . 7 1 1 A 32 32 VAL H H 32 9.100 7.625 1.475 1
1 252 . 7 1 1 A 32 32 VAL HA H 32 3.770 4.507 -0.737 1
1 260 . 7 1 1 A 32 32 VAL C C 32 175.400 175.231 0.169 1
1 261 . 7 1 1 A 32 32 VAL CA C 32 62.900 61.184 1.716 1
1 262 . 7 1 1 A 32 32 VAL CB C 32 32.200 32.775 -0.575 1
1 265 . 7 1 1 A 32 32 VAL N N 32 122.300 118.168 4.132 1
1 266 . 7 1 1 A 33 33 LYS H H 33 8.330 8.447 -0.117 1
1 267 . 7 1 1 A 33 33 LYS HA H 33 4.980 4.717 0.263 1
1 276 . 7 1 1 A 33 33 LYS C C 33 176.300 176.499 -0.199 1
1 277 . 7 1 1 A 33 33 LYS CA C 33 55.700 56.500 -0.800 1
1 278 . 7 1 1 A 33 33 LYS CB C 33 33.500 33.045 0.455 1
1 282 . 7 1 1 A 33 33 LYS N N 33 128.300 128.248 0.052 1
1 283 . 7 1 1 A 34 34 LEU H H 34 9.140 8.481 0.659 1
1 284 . 7 1 1 A 34 34 LEU HA H 34 4.750 4.960 -0.210 1
1 294 . 7 1 1 A 34 34 LEU C C 34 175.000 176.205 -1.205 1
1 295 . 7 1 1 A 34 34 LEU CA C 34 52.900 53.840 -0.940 1
1 296 . 7 1 1 A 34 34 LEU CB C 34 46.700 45.958 0.742 1
1 300 . 7 1 1 A 34 34 LEU N N 34 126.700 124.485 2.215 1
1 301 . 7 1 1 A 35 35 ALA H H 35 8.650 8.983 -0.333 1
1 302 . 7 1 1 A 35 35 ALA HA H 35 4.100 4.624 -0.524 1
1 306 . 7 1 1 A 35 35 ALA C C 35 178.000 178.014 -0.014 1
1 307 . 7 1 1 A 35 35 ALA CA C 35 52.300 52.628 -0.328 1
1 308 . 7 1 1 A 35 35 ALA CB C 35 19.100 19.186 -0.086 1
1 309 . 7 1 1 A 35 35 ALA N N 35 126.600 127.826 -1.226 1
1 310 . 7 1 1 A 36 36 LYS H H 36 8.230 8.965 -0.735 1
1 311 . 7 1 1 A 36 36 LYS HA H 36 3.710 4.213 -0.503 1
1 320 . 7 1 1 A 36 36 LYS C C 36 176.000 177.580 -1.580 1
1 321 . 7 1 1 A 36 36 LYS CA C 36 59.800 58.406 1.394 1
1 322 . 7 1 1 A 36 36 LYS CB C 36 33.200 32.181 1.019 1
1 326 . 7 1 1 A 36 36 LYS N N 36 119.200 126.236 -7.036 1
1 327 . 7 1 1 A 37 37 ASP H H 37 8.060 8.030 0.030 1
1 328 . 7 1 1 A 37 37 ASP HA H 37 4.470 4.694 -0.224 1
1 331 . 7 1 1 A 37 37 ASP C C 37 176.800 176.466 0.334 1
1 332 . 7 1 1 A 37 37 ASP CA C 37 53.000 54.723 -1.723 1
1 333 . 7 1 1 A 37 37 ASP CB C 37 39.700 41.176 -1.476 1
1 334 . 7 1 1 A 37 37 ASP N N 37 112.700 117.614 -4.914 1
1 335 . 7 1 1 A 38 38 LEU H H 38 7.170 7.083 0.087 1
1 336 . 7 1 1 A 38 38 LEU HA H 38 4.280 4.242 0.038 1
1 346 . 7 1 1 A 38 38 LEU C C 38 177.600 177.080 0.520 1
1 347 . 7 1 1 A 38 38 LEU CA C 38 55.800 55.216 0.584 1
1 348 . 7 1 1 A 38 38 LEU CB C 38 43.900 42.453 1.447 1
1 352 . 7 1 1 A 38 38 LEU N N 38 122.100 121.460 0.640 1
1 353 . 7 1 1 A 39 39 THR H H 39 8.430 8.561 -0.131 1
1 354 . 7 1 1 A 39 39 THR HA H 39 5.010 4.782 0.228 1
1 360 . 7 1 1 A 39 39 THR C C 39 176.500 176.170 0.330 1
1 361 . 7 1 1 A 39 39 THR CA C 39 60.900 60.349 0.551 1
1 362 . 7 1 1 A 39 39 THR CB C 39 71.200 71.478 -0.278 1
1 364 . 7 1 1 A 39 39 THR N N 39 112.800 115.179 -2.379 1
1 365 . 7 1 1 A 40 40 VAL H H 40 8.740 8.448 0.292 1
1 366 . 7 1 1 A 40 40 VAL HA H 40 3.530 3.709 -0.179 1
1 374 . 7 1 1 A 40 40 VAL C C 40 178.200 177.373 0.827 1
1 375 . 7 1 1 A 40 40 VAL CA C 40 67.300 66.642 0.658 1
1 376 . 7 1 1 A 40 40 VAL CB C 40 31.600 31.657 -0.057 1
1 379 . 7 1 1 A 40 40 VAL N N 40 123.600 122.348 1.252 1
1 380 . 7 1 1 A 41 41 ALA H H 41 8.520 8.190 0.330 1
1 381 . 7 1 1 A 41 41 ALA HA H 41 3.950 3.930 0.020 1
1 385 . 7 1 1 A 41 41 ALA C C 41 180.700 179.987 0.713 1
1 386 . 7 1 1 A 41 41 ALA CA C 41 56.100 55.733 0.367 1
1 387 . 7 1 1 A 41 41 ALA CB C 41 18.800 18.269 0.531 1
1 388 . 7 1 1 A 41 41 ALA N N 41 121.400 122.237 -0.837 1
1 389 . 7 1 1 A 42 42 GLN H H 42 7.740 7.834 -0.094 1
1 390 . 7 1 1 A 42 42 GLN HA H 42 4.060 4.291 -0.231 1
1 397 . 7 1 1 A 42 42 GLN C C 42 180.300 178.645 1.655 1
1 398 . 7 1 1 A 42 42 GLN CA C 42 58.600 58.814 -0.214 1
1 399 . 7 1 1 A 42 42 GLN CB C 42 29.200 28.587 0.613 1
1 402 . 7 1 1 A 42 42 GLN N N 42 117.500 118.037 -0.537 1
1 404 . 7 1 1 A 43 43 LEU H H 43 9.210 8.174 1.036 1
1 405 . 7 1 1 A 43 43 LEU HA H 43 3.940 4.126 -0.186 1
1 415 . 7 1 1 A 43 43 LEU C C 43 178.300 178.624 -0.324 1
1 416 . 7 1 1 A 43 43 LEU CA C 43 57.900 57.865 0.035 1
1 417 . 7 1 1 A 43 43 LEU CB C 43 41.300 41.798 -0.498 1
1 421 . 7 1 1 A 43 43 LEU N N 43 123.000 122.034 0.966 1
1 422 . 7 1 1 A 44 44 LYS H H 44 8.740 7.963 0.777 1
1 423 . 7 1 1 A 44 44 LYS HA H 44 3.860 3.962 -0.102 1
1 432 . 7 1 1 A 44 44 LYS C C 44 178.300 179.417 -1.117 1
1 433 . 7 1 1 A 44 44 LYS CA C 44 61.100 59.444 1.656 1
1 434 . 7 1 1 A 44 44 LYS CB C 44 32.800 32.266 0.534 1
1 438 . 7 1 1 A 44 44 LYS N N 44 119.300 118.947 0.353 1
1 439 . 7 1 1 A 45 45 THR H H 45 7.440 7.916 -0.476 1
1 440 . 7 1 1 A 45 45 THR HA H 45 3.930 3.991 -0.061 1
1 445 . 7 1 1 A 45 45 THR C C 45 176.700 176.620 0.080 1
1 446 . 7 1 1 A 45 45 THR CA C 45 67.100 65.897 1.203 1
1 447 . 7 1 1 A 45 45 THR CB C 45 68.800 68.466 0.334 1
1 449 . 7 1 1 A 45 45 THR N N 45 114.000 113.418 0.582 1
1 450 . 7 1 1 A 46 46 LYS H H 46 7.500 8.715 -1.215 1
1 451 . 7 1 1 A 46 46 LYS HA H 46 4.100 4.061 0.039 1
1 460 . 7 1 1 A 46 46 LYS C C 46 179.700 179.052 0.648 1
1 461 . 7 1 1 A 46 46 LYS CA C 46 59.400 59.550 -0.150 1
1 462 . 7 1 1 A 46 46 LYS CB C 46 32.100 31.748 0.352 1
1 466 . 7 1 1 A 46 46 LYS N N 46 121.700 121.927 -0.227 1
1 467 . 7 1 1 A 47 47 LEU H H 47 9.010 8.659 0.351 1
1 468 . 7 1 1 A 47 47 LEU HA H 47 4.040 3.972 0.068 1
1 478 . 7 1 1 A 47 47 LEU C C 47 180.000 178.687 1.313 1
1 479 . 7 1 1 A 47 47 LEU CA C 47 57.200 57.940 -0.740 1
1 480 . 7 1 1 A 47 47 LEU CB C 47 40.700 41.441 -0.741 1
1 484 . 7 1 1 A 47 47 LEU N N 47 118.000 119.259 -1.259 1
1 485 . 7 1 1 A 48 48 GLU H H 48 8.450 8.350 0.100 1
1 486 . 7 1 1 A 48 48 GLU HA H 48 4.050 4.031 0.019 1
1 491 . 7 1 1 A 48 48 GLU C C 48 178.800 179.349 -0.549 1
1 492 . 7 1 1 A 48 48 GLU CA C 48 59.700 59.514 0.186 1
1 493 . 7 1 1 A 48 48 GLU CB C 48 29.400 29.340 0.060 1
1 495 . 7 1 1 A 48 48 GLU N N 48 126.300 119.864 6.436 1
1 496 . 7 1 1 A 49 49 ILE H H 49 7.180 7.609 -0.429 1
1 497 . 7 1 1 A 49 49 ILE HA H 49 3.780 3.689 0.091 1
1 507 . 7 1 1 A 49 49 ILE C C 49 178.000 178.140 -0.140 1
1 508 . 7 1 1 A 49 49 ILE CA C 49 64.000 65.112 -1.112 1
1 509 . 7 1 1 A 49 49 ILE CB C 49 38.100 37.834 0.266 1
1 513 . 7 1 1 A 49 49 ILE N N 49 119.600 119.917 -0.317 1
1 514 . 7 1 1 A 50 50 LEU H H 50 7.520 7.794 -0.274 1
1 515 . 7 1 1 A 50 50 LEU HA H 50 4.160 3.945 0.215 1
1 525 . 7 1 1 A 50 50 LEU C C 50 178.400 178.549 -0.149 1
1 526 . 7 1 1 A 50 50 LEU CA C 50 57.500 58.112 -0.612 1
1 527 . 7 1 1 A 50 50 LEU CB C 50 44.300 41.715 2.585 1
1 531 . 7 1 1 A 50 50 LEU N N 50 116.800 121.451 -4.651 1
1 532 . 7 1 1 A 51 51 THR H H 51 8.160 8.365 -0.205 1
1 533 . 7 1 1 A 51 51 THR HA H 51 4.490 4.430 0.060 1
1 538 . 7 1 1 A 51 51 THR C C 51 175.600 176.169 -0.569 1
1 539 . 7 1 1 A 51 51 THR CA C 51 62.400 62.264 0.136 1
1 540 . 7 1 1 A 51 51 THR CB C 51 72.900 70.622 2.278 1
1 542 . 7 1 1 A 51 51 THR N N 51 104.100 107.211 -3.111 1
1 543 . 7 1 1 A 52 52 GLY H H 52 8.080 8.619 -0.539 1
1 544 . 7 1 1 A 52 52 GLY HA2 H 52 3.830 3.943 -0.113 1
1 545 . 7 1 1 A 52 52 GLY HA3 H 52 4.250 3.944 0.306 1
1 546 . 7 1 1 A 52 52 GLY C C 52 174.800 174.906 -0.106 1
1 547 . 7 1 1 A 52 52 GLY CA C 52 45.500 45.712 -0.212 1
1 548 . 7 1 1 A 52 52 GLY N N 52 112.100 112.235 -0.135 1
1 549 . 7 1 1 A 53 53 GLY H H 53 7.880 7.786 0.094 1
1 550 . 7 1 1 A 53 53 GLY HA2 H 53 3.220 4.020 -0.800 1
1 551 . 7 1 1 A 53 53 GLY HA3 H 53 4.040 4.025 0.015 1
1 552 . 7 1 1 A 53 53 GLY C C 53 170.900 172.409 -1.509 1
1 553 . 7 1 1 A 53 53 GLY CA C 53 44.300 44.301 -0.001 1
1 554 . 7 1 1 A 53 53 GLY N N 53 107.000 108.241 -1.241 1
1 555 . 7 1 1 A 54 54 CYS H H 54 8.690 8.325 0.365 1
1 556 . 7 1 1 A 54 54 CYS HA H 54 4.430 4.771 -0.341 1
1 559 . 7 1 1 A 54 54 CYS C C 54 176.100 175.639 0.461 1
1 560 . 7 1 1 A 54 54 CYS CA C 54 57.900 57.545 0.355 1
1 561 . 7 1 1 A 54 54 CYS CB C 54 27.800 29.509 -1.709 1
1 562 . 7 1 1 A 54 54 CYS N N 54 120.200 118.869 1.331 1
1 563 . 7 1 1 A 55 55 ALA H H 55 10.100 8.884 1.216 1
1 564 . 7 1 1 A 55 55 ALA HA H 55 3.890 3.931 -0.041 1
1 568 . 7 1 1 A 55 55 ALA C C 55 178.900 179.149 -0.249 1
1 569 . 7 1 1 A 55 55 ALA CA C 55 55.700 55.066 0.634 1
1 570 . 7 1 1 A 55 55 ALA CB C 55 18.500 18.611 -0.111 1
1 571 . 7 1 1 A 55 55 ALA N N 55 133.900 130.022 3.878 1
1 572 . 7 1 1 A 56 56 GLY H H 56 8.380 7.988 0.392 1
1 573 . 7 1 1 A 56 56 GLY HA2 H 56 3.910 3.967 -0.057 1
1 574 . 7 1 1 A 56 56 GLY HA3 H 56 3.910 3.968 -0.058 1
1 575 . 7 1 1 A 56 56 GLY C C 56 174.600 174.489 0.111 1
1 576 . 7 1 1 A 56 56 GLY CA C 56 45.900 46.119 -0.219 1
1 577 . 7 1 1 A 56 56 GLY N N 56 104.300 105.775 -1.475 1
1 578 . 7 1 1 A 57 57 THR H H 57 7.310 7.865 -0.555 1
1 579 . 7 1 1 A 57 57 THR HA H 57 4.520 4.588 -0.068 1
1 584 . 7 1 1 A 57 57 THR C C 57 175.500 173.600 1.900 1
1 585 . 7 1 1 A 57 57 THR CA C 57 61.400 61.381 0.019 1
1 586 . 7 1 1 A 57 57 THR CB C 57 69.900 70.666 -0.766 1
1 588 . 7 1 1 A 57 57 THR N N 57 107.700 114.385 -6.685 1
1 589 . 7 1 1 A 58 58 MET H H 58 7.910 7.392 0.518 1
1 590 . 7 1 1 A 58 58 MET HA H 58 4.540 5.070 -0.530 1
1 598 . 7 1 1 A 58 58 MET C C 58 175.100 174.826 0.274 1
1 599 . 7 1 1 A 58 58 MET CA C 58 56.900 54.238 2.662 1
1 600 . 7 1 1 A 58 58 MET CB C 58 33.700 34.560 -0.860 1
1 603 . 7 1 1 A 58 58 MET N N 58 120.700 122.128 -1.428 1
1 604 . 7 1 1 A 59 59 LYS H H 59 8.780 8.808 -0.028 1
1 605 . 7 1 1 A 59 59 LYS HA H 59 4.610 5.040 -0.430 1
1 614 . 7 1 1 A 59 59 LYS C C 59 174.500 174.660 -0.160 1
1 615 . 7 1 1 A 59 59 LYS CA C 59 54.500 54.660 -0.160 1
1 616 . 7 1 1 A 59 59 LYS CB C 59 34.700 36.029 -1.329 1
1 620 . 7 1 1 A 59 59 LYS N N 59 122.400 127.649 -5.249 1
1 621 . 7 1 1 A 60 60 VAL H H 60 8.740 8.538 0.202 1
1 622 . 7 1 1 A 60 60 VAL HA H 60 4.700 4.940 -0.240 1
1 630 . 7 1 1 A 60 60 VAL C C 60 175.000 175.039 -0.039 1
1 631 . 7 1 1 A 60 60 VAL CA C 60 61.300 60.829 0.471 1
1 632 . 7 1 1 A 60 60 VAL CB C 60 33.400 34.291 -0.891 1
1 635 . 7 1 1 A 60 60 VAL N N 60 122.100 124.805 -2.705 1
1 636 . 7 1 1 A 61 61 GLN H H 61 9.250 8.706 0.544 1
1 637 . 7 1 1 A 61 61 GLN HA H 61 4.790 5.026 -0.236 1
1 644 . 7 1 1 A 61 61 GLN C C 61 174.700 174.668 0.032 1
1 645 . 7 1 1 A 61 61 GLN CA C 61 54.200 54.040 0.160 1
1 646 . 7 1 1 A 61 61 GLN CB C 61 32.800 32.445 0.355 1
1 649 . 7 1 1 A 61 61 GLN N N 61 126.400 125.980 0.420 1
1 651 . 7 1 1 A 62 62 VAL H H 62 8.690 8.300 0.390 1
1 652 . 7 1 1 A 62 62 VAL HA H 62 4.650 4.678 -0.028 1
1 660 . 7 1 1 A 62 62 VAL C C 62 174.700 175.077 -0.377 1
1 661 . 7 1 1 A 62 62 VAL CA C 62 61.800 61.553 0.247 1
1 662 . 7 1 1 A 62 62 VAL CB C 62 32.500 32.292 0.208 1
1 665 . 7 1 1 A 62 62 VAL N N 62 121.700 123.311 -1.611 1
1 666 . 7 1 1 A 63 63 PHE H H 63 10.020 9.115 0.905 1
1 667 . 7 1 1 A 63 63 PHE HA H 63 5.170 5.210 -0.040 1
1 675 . 7 1 1 A 63 63 PHE C C 63 175.100 174.649 0.451 1
1 676 . 7 1 1 A 63 63 PHE CA C 63 56.800 55.924 0.876 1
1 677 . 7 1 1 A 63 63 PHE CB C 63 42.900 43.930 -1.030 1
1 683 . 7 1 1 A 63 63 PHE N N 63 127.100 126.392 0.708 1
1 684 . 7 1 1 A 64 64 LYS H H 64 8.710 8.517 0.193 1
1 685 . 7 1 1 A 64 64 LYS HA H 64 4.650 4.678 -0.028 1
1 694 . 7 1 1 A 64 64 LYS C C 64 176.900 176.577 0.323 1
1 695 . 7 1 1 A 64 64 LYS CA C 64 55.100 55.348 -0.248 1
1 696 . 7 1 1 A 64 64 LYS CB C 64 34.100 33.834 0.266 1
1 700 . 7 1 1 A 64 64 LYS N N 64 123.900 123.166 0.734 1
1 701 . 7 1 1 A 65 65 GLY H H 65 9.160 9.038 0.122 1
1 702 . 7 1 1 A 65 65 GLY HA2 H 65 3.680 3.902 -0.222 1
1 703 . 7 1 1 A 65 65 GLY HA3 H 65 4.050 3.904 0.146 1
1 704 . 7 1 1 A 65 65 GLY C C 65 174.600 174.549 0.051 1
1 705 . 7 1 1 A 65 65 GLY CA C 65 47.200 47.164 0.036 1
1 706 . 7 1 1 A 65 65 GLY N N 65 118.800 115.872 2.928 1
1 707 . 7 1 1 A 66 66 ASP H H 66 8.760 8.686 0.074 1
1 708 . 7 1 1 A 66 66 ASP HA H 66 4.700 4.801 -0.101 1
1 711 . 7 1 1 A 66 66 ASP C C 66 176.000 174.724 1.276 1
1 712 . 7 1 1 A 66 66 ASP CA C 66 54.300 53.986 0.314 1
1 713 . 7 1 1 A 66 66 ASP CB C 66 41.300 41.019 0.281 1
1 714 . 7 1 1 A 66 66 ASP N N 66 126.400 126.721 -0.321 1
1 715 . 7 1 1 A 67 67 THR H H 67 8.020 7.267 0.753 1
1 716 . 7 1 1 A 67 67 THR HA H 67 4.300 4.957 -0.657 1
1 721 . 7 1 1 A 67 67 THR C C 67 172.100 173.674 -1.574 1
1 722 . 7 1 1 A 67 67 THR CA C 67 62.400 61.552 0.848 1
1 723 . 7 1 1 A 67 67 THR CB C 67 70.700 71.451 -0.751 1
1 725 . 7 1 1 A 67 67 THR N N 67 117.500 115.377 2.123 1
1 726 . 7 1 1 A 68 68 CYS H H 68 8.940 8.850 0.090 1
1 727 . 7 1 1 A 68 68 CYS HA H 68 3.400 4.429 -1.029 1
1 730 . 7 1 1 A 68 68 CYS C C 68 174.900 174.472 0.428 1
1 731 . 7 1 1 A 68 68 CYS CA C 68 58.700 58.298 0.402 1
1 732 . 7 1 1 A 68 68 CYS CB C 68 25.600 27.161 -1.561 1
1 733 . 7 1 1 A 68 68 CYS N N 68 129.500 124.229 5.271 1
1 734 . 7 1 1 A 69 69 VAL H H 69 9.090 8.680 0.410 1
1 735 . 7 1 1 A 69 69 VAL HA H 69 4.150 3.857 0.293 1
1 743 . 7 1 1 A 69 69 VAL C C 69 176.300 175.374 0.926 1
1 744 . 7 1 1 A 69 69 VAL CA C 69 62.900 64.430 -1.530 1
1 745 . 7 1 1 A 69 69 VAL CB C 69 32.800 32.049 0.751 1
1 748 . 7 1 1 A 69 69 VAL N N 69 127.500 126.665 0.835 1
1 749 . 7 1 1 A 70 70 SER H H 70 7.640 7.501 0.139 1
1 750 . 7 1 1 A 70 70 SER HA H 70 4.550 4.672 -0.122 1
1 753 . 7 1 1 A 70 70 SER C C 70 172.300 171.757 0.543 1
1 754 . 7 1 1 A 70 70 SER CA C 70 58.700 57.762 0.938 1
1 755 . 7 1 1 A 70 70 SER CB C 70 65.100 66.462 -1.362 1
1 756 . 7 1 1 A 70 70 SER N N 70 113.400 112.496 0.904 1
1 757 . 7 1 1 A 71 71 THR H H 71 8.220 8.400 -0.180 1
1 758 . 7 1 1 A 71 71 THR HA H 71 4.580 4.770 -0.190 1
1 763 . 7 1 1 A 71 71 THR C C 71 174.000 174.437 -0.437 1
1 764 . 7 1 1 A 71 71 THR CA C 71 61.800 61.088 0.712 1
1 765 . 7 1 1 A 71 71 THR CB C 71 70.500 70.898 -0.398 1
1 767 . 7 1 1 A 71 71 THR N N 71 114.500 115.740 -1.240 1
1 768 . 7 1 1 A 72 72 MET H H 72 8.260 8.829 -0.569 1
1 769 . 7 1 1 A 72 72 MET HA H 72 2.990 4.115 -1.125 1
1 777 . 7 1 1 A 72 72 MET C C 72 175.700 175.967 -0.267 1
1 778 . 7 1 1 A 72 72 MET CA C 72 55.100 54.078 1.022 1
1 779 . 7 1 1 A 72 72 MET CB C 72 30.200 30.773 -0.573 1
1 782 . 7 1 1 A 72 72 MET N N 72 121.800 125.215 -3.415 1
1 783 . 7 1 1 A 73 73 ASP H H 73 7.830 8.931 -1.101 1
1 784 . 7 1 1 A 73 73 ASP HA H 73 4.370 4.654 -0.284 1
1 787 . 7 1 1 A 73 73 ASP C C 73 175.100 176.011 -0.911 1
1 788 . 7 1 1 A 73 73 ASP CA C 73 55.800 55.146 0.654 1
1 789 . 7 1 1 A 73 73 ASP CB C 73 41.800 42.063 -0.263 1
1 790 . 7 1 1 A 73 73 ASP N N 73 125.100 125.675 -0.575 1
1 791 . 7 1 1 A 74 74 ASN H H 74 7.480 7.443 0.037 1
1 792 . 7 1 1 A 74 74 ASN HA H 74 4.890 4.897 -0.007 1
1 797 . 7 1 1 A 74 74 ASN C C 74 175.800 175.327 0.473 1
1 798 . 7 1 1 A 74 74 ASN CA C 74 51.600 52.964 -1.364 1
1 799 . 7 1 1 A 74 74 ASN CB C 74 38.800 38.411 0.389 1
1 801 . 7 1 1 A 74 74 ASN N N 74 116.400 117.594 -1.194 1
1 803 . 7 1 1 A 75 75 ASN H H 75 8.870 8.828 0.042 1
1 804 . 7 1 1 A 75 75 ASN HA H 75 4.390 4.449 -0.059 1
1 809 . 7 1 1 A 75 75 ASN C C 75 175.700 176.183 -0.483 1
1 810 . 7 1 1 A 75 75 ASN CA C 75 55.600 55.900 -0.300 1
1 811 . 7 1 1 A 75 75 ASN CB C 75 39.200 38.194 1.006 1
1 813 . 7 1 1 A 75 75 ASN N N 75 123.600 123.815 -0.215 1
1 815 . 7 1 1 A 76 76 ASP H H 76 8.060 8.303 -0.243 1
1 816 . 7 1 1 A 76 76 ASP HA H 76 4.750 4.590 0.160 1
1 819 . 7 1 1 A 76 76 ASP C C 76 176.200 175.798 0.402 1
1 820 . 7 1 1 A 76 76 ASP CA C 76 54.200 53.945 0.255 1
1 821 . 7 1 1 A 76 76 ASP CB C 76 41.700 39.787 1.913 1
1 822 . 7 1 1 A 76 76 ASP N N 76 115.100 114.520 0.580 1
1 823 . 7 1 1 A 77 77 ALA H H 77 7.140 7.177 -0.037 1
1 824 . 7 1 1 A 77 77 ALA HA H 77 4.160 4.246 -0.086 1
1 828 . 7 1 1 A 77 77 ALA C C 77 176.100 177.422 -1.322 1
1 829 . 7 1 1 A 77 77 ALA CA C 77 51.400 51.596 -0.196 1
1 830 . 7 1 1 A 77 77 ALA CB C 77 20.100 20.511 -0.411 1
1 831 . 7 1 1 A 77 77 ALA N N 77 122.600 122.758 -0.158 1
1 832 . 7 1 1 A 78 78 GLN H H 78 8.090 8.980 -0.890 1
1 833 . 7 1 1 A 78 78 GLN HA H 78 4.750 4.549 0.201 1
1 840 . 7 1 1 A 78 78 GLN C C 78 177.900 177.782 0.118 1
1 841 . 7 1 1 A 78 78 GLN CA C 78 55.200 54.807 0.393 1
1 842 . 7 1 1 A 78 78 GLN CB C 78 29.500 30.005 -0.505 1
1 845 . 7 1 1 A 78 78 GLN N N 78 116.500 120.411 -3.911 1
1 847 . 7 1 1 A 79 79 LEU H H 79 9.380 9.229 0.151 1
1 848 . 7 1 1 A 79 79 LEU HA H 79 4.060 4.188 -0.128 1
1 858 . 7 1 1 A 79 79 LEU C C 79 179.200 179.061 0.139 1
1 859 . 7 1 1 A 79 79 LEU CA C 79 58.900 58.035 0.865 1
1 860 . 7 1 1 A 79 79 LEU CB C 79 42.000 41.620 0.380 1
1 864 . 7 1 1 A 79 79 LEU N N 79 123.800 126.149 -2.349 1
1 865 . 7 1 1 A 80 80 GLY H H 80 9.130 7.953 1.177 1
1 866 . 7 1 1 A 80 80 GLY HA2 H 80 3.750 3.921 -0.171 1
1 867 . 7 1 1 A 80 80 GLY HA3 H 80 4.160 3.939 0.221 1
1 868 . 7 1 1 A 80 80 GLY C C 80 174.100 175.194 -1.094 1
1 869 . 7 1 1 A 80 80 GLY CA C 80 45.600 46.237 -0.637 1
1 870 . 7 1 1 A 80 80 GLY N N 80 104.000 106.234 -2.234 1
1 871 . 7 1 1 A 81 81 TYR H H 81 7.900 8.006 -0.106 1
1 872 . 7 1 1 A 81 81 TYR HA H 81 4.000 3.936 0.064 1
1 879 . 7 1 1 A 81 81 TYR C C 81 176.300 176.650 -0.350 1
1 880 . 7 1 1 A 81 81 TYR CA C 81 60.600 60.760 -0.160 1
1 881 . 7 1 1 A 81 81 TYR CB C 81 38.700 38.168 0.532 1
1 886 . 7 1 1 A 81 81 TYR N N 81 120.300 122.874 -2.574 1
1 887 . 7 1 1 A 82 82 TYR H H 82 7.430 7.772 -0.342 1
1 888 . 7 1 1 A 82 82 TYR HA H 82 4.340 4.674 -0.334 1
1 895 . 7 1 1 A 82 82 TYR C C 82 175.500 176.681 -1.181 1
1 896 . 7 1 1 A 82 82 TYR CA C 82 58.700 58.998 -0.298 1
1 897 . 7 1 1 A 82 82 TYR CB C 82 41.500 40.358 1.142 1
1 902 . 7 1 1 A 82 82 TYR N N 82 114.000 114.716 -0.716 1
1 903 . 7 1 1 A 83 83 ALA H H 83 8.430 7.661 0.769 1
1 904 . 7 1 1 A 83 83 ALA HA H 83 4.380 4.550 -0.170 1
1 908 . 7 1 1 A 83 83 ALA C C 83 173.400 177.564 -4.164 1
1 909 . 7 1 1 A 83 83 ALA CA C 83 51.000 51.011 -0.011 1
1 910 . 7 1 1 A 83 83 ALA CB C 83 19.500 18.145 1.355 1
1 911 . 7 1 1 A 83 83 ALA N N 83 122.900 121.318 1.582 1
1 912 . 7 1 1 A 84 84 ASN H H 84 8.050 8.467 -0.417 1
1 913 . 7 1 1 A 84 84 ASN HA H 84 4.760 4.829 -0.069 1
1 918 . 7 1 1 A 84 84 ASN C C 84 174.600 174.305 0.295 1
1 919 . 7 1 1 A 84 84 ASN CA C 84 52.200 52.654 -0.454 1
1 920 . 7 1 1 A 84 84 ASN CB C 84 39.300 38.252 1.048 1
1 922 . 7 1 1 A 84 84 ASN N N 84 117.300 118.264 -0.964 1
1 924 . 7 1 1 A 85 85 SER H H 85 7.180 7.730 -0.550 1
1 925 . 7 1 1 A 85 85 SER HA H 85 4.670 5.035 -0.365 1
1 928 . 7 1 1 A 85 85 SER C C 85 172.000 173.355 -1.355 1
1 929 . 7 1 1 A 85 85 SER CA C 85 56.900 57.477 -0.577 1
1 930 . 7 1 1 A 85 85 SER CB C 85 66.000 66.250 -0.250 1
1 931 . 7 1 1 A 85 85 SER N N 85 112.200 114.999 -2.799 1
1 932 . 7 1 1 A 86 86 ASP H H 86 8.320 8.781 -0.461 1
1 933 . 7 1 1 A 86 86 ASP HA H 86 4.920 4.837 0.083 1
1 936 . 7 1 1 A 86 86 ASP C C 86 178.100 176.635 1.465 1
1 937 . 7 1 1 A 86 86 ASP CA C 86 55.000 53.472 1.528 1
1 938 . 7 1 1 A 86 86 ASP CB C 86 42.000 41.757 0.243 1
1 939 . 7 1 1 A 86 86 ASP N N 86 119.100 123.732 -4.632 1
1 940 . 7 1 1 A 87 87 GLY H H 87 8.910 8.804 0.106 1
1 941 . 7 1 1 A 87 87 GLY HA2 H 87 3.850 3.996 -0.146 1
1 942 . 7 1 1 A 87 87 GLY HA3 H 87 4.110 4.005 0.105 1
1 943 . 7 1 1 A 87 87 GLY C C 87 175.400 174.406 0.994 1
1 944 . 7 1 1 A 87 87 GLY CA C 87 46.100 45.284 0.816 1
1 945 . 7 1 1 A 87 87 GLY N N 87 107.900 110.299 -2.399 1
1 946 . 7 1 1 A 88 88 LEU H H 88 8.290 7.827 0.463 1
1 947 . 7 1 1 A 88 88 LEU HA H 88 4.740 4.574 0.166 1
1 957 . 7 1 1 A 88 88 LEU C C 88 175.000 175.841 -0.841 1
1 958 . 7 1 1 A 88 88 LEU CA C 88 54.500 54.578 -0.078 1
1 959 . 7 1 1 A 88 88 LEU CB C 88 43.200 42.755 0.445 1
1 963 . 7 1 1 A 88 88 LEU N N 88 120.300 122.940 -2.640 1
1 964 . 7 1 1 A 89 89 ARG H H 89 8.880 8.188 0.692 1
1 965 . 7 1 1 A 89 89 ARG HA H 89 5.300 5.229 0.071 1
1 973 . 7 1 1 A 89 89 ARG C C 89 174.900 175.383 -0.483 1
1 974 . 7 1 1 A 89 89 ARG CA C 89 53.600 54.549 -0.949 1
1 975 . 7 1 1 A 89 89 ARG CB C 89 34.300 34.309 -0.009 1
1 979 . 7 1 1 A 89 89 ARG N N 89 121.200 119.689 1.511 1
1 981 . 7 1 1 A 90 90 LEU H H 90 9.250 8.781 0.469 1
1 982 . 7 1 1 A 90 90 LEU HA H 90 5.270 5.036 0.234 1
1 992 . 7 1 1 A 90 90 LEU C C 90 173.700 175.224 -1.524 1
1 993 . 7 1 1 A 90 90 LEU CA C 90 52.900 54.166 -1.266 1
1 994 . 7 1 1 A 90 90 LEU CB C 90 42.000 43.868 -1.868 1
1 998 . 7 1 1 A 90 90 LEU N N 90 125.500 121.720 3.780 1
1 999 . 7 1 1 A 91 91 HIS H H 91 9.600 9.032 0.568 1
1 1000 . 7 1 1 A 91 91 HIS HA H 91 5.280 4.865 0.415 1
1 1005 . 7 1 1 A 91 91 HIS C C 91 174.300 173.675 0.625 1
1 1006 . 7 1 1 A 91 91 HIS CA C 91 54.500 55.011 -0.511 1
1 1007 . 7 1 1 A 91 91 HIS CB C 91 35.200 30.763 4.437 1
1 1010 . 7 1 1 A 91 91 HIS N N 91 124.800 126.132 -1.332 1
1 1013 . 7 1 1 A 92 92 VAL H H 92 8.300 8.961 -0.661 1
1 1014 . 7 1 1 A 92 92 VAL HA H 92 4.110 4.294 -0.184 1
1 1022 . 7 1 1 A 92 92 VAL C C 92 174.200 175.068 -0.868 1
1 1023 . 7 1 1 A 92 92 VAL CA C 92 62.900 61.964 0.936 1
1 1024 . 7 1 1 A 92 92 VAL CB C 92 32.600 32.360 0.240 1
1 1027 . 7 1 1 A 92 92 VAL N N 92 128.400 127.769 0.631 1
1 1028 . 7 1 1 A 93 93 VAL H H 93 8.950 9.034 -0.084 1
1 1029 . 7 1 1 A 93 93 VAL HA H 93 4.170 4.516 -0.346 1
1 1037 . 7 1 1 A 93 93 VAL C C 93 175.600 174.352 1.248 1
1 1038 . 7 1 1 A 93 93 VAL CA C 93 61.100 61.463 -0.363 1
1 1039 . 7 1 1 A 93 93 VAL CB C 93 33.300 32.791 0.509 1
1 1042 . 7 1 1 A 93 93 VAL N N 93 127.800 128.289 -0.489 1
1 1043 . 7 1 1 A 94 94 ASP H H 94 8.280 8.261 0.019 1
1 1044 . 7 1 1 A 94 94 ASP HA H 94 4.850 5.436 -0.586 1
1 1047 . 7 1 1 A 94 94 ASP C C 94 174.700 175.536 -0.836 1
1 1048 . 7 1 1 A 94 94 ASP CA C 94 53.800 52.328 1.472 1
1 1049 . 7 1 1 A 94 94 ASP CB C 94 42.500 42.886 -0.386 1
1 1050 . 7 1 1 A 94 94 ASP N N 94 127.100 126.983 0.117 1
1 1 . 8 1 1 A 11 11 GLY C C 11 174.100 174.663 -0.563 1
1 2 . 8 1 1 A 11 11 GLY CA C 11 45.300 45.617 -0.317 1
1 3 . 8 1 1 A 12 12 LYS H H 12 8.180 8.072 0.108 1
1 4 . 8 1 1 A 12 12 LYS HA H 12 4.320 4.429 -0.109 1
1 13 . 8 1 1 A 12 12 LYS C C 12 176.700 175.673 1.027 1
1 14 . 8 1 1 A 12 12 LYS CA C 12 56.400 56.674 -0.274 1
1 15 . 8 1 1 A 12 12 LYS CB C 12 33.200 33.416 -0.216 1
1 19 . 8 1 1 A 12 12 LYS N N 12 120.600 123.087 -2.487 1
1 20 . 8 1 1 A 13 13 SER H H 13 8.360 8.864 -0.504 1
1 21 . 8 1 1 A 13 13 SER HA H 13 4.450 5.293 -0.843 1
1 24 . 8 1 1 A 13 13 SER C C 13 173.800 173.115 0.685 1
1 25 . 8 1 1 A 13 13 SER CA C 13 58.000 57.640 0.360 1
1 26 . 8 1 1 A 13 13 SER CB C 13 63.900 65.547 -1.647 1
1 27 . 8 1 1 A 13 13 SER N N 13 116.300 120.019 -3.719 1
1 28 . 8 1 1 A 14 14 ASP H H 14 8.450 8.700 -0.250 1
1 29 . 8 1 1 A 14 14 ASP HA H 14 4.670 4.929 -0.259 1
1 32 . 8 1 1 A 14 14 ASP C C 14 175.100 175.669 -0.569 1
1 33 . 8 1 1 A 14 14 ASP CA C 14 54.400 53.000 1.400 1
1 34 . 8 1 1 A 14 14 ASP CB C 14 41.500 40.303 1.197 1
1 35 . 8 1 1 A 14 14 ASP N N 14 122.400 121.906 0.494 1
1 36 . 8 1 1 A 15 15 PHE H H 15 8.110 7.755 0.355 1
1 37 . 8 1 1 A 15 15 PHE HA H 15 5.290 5.201 0.089 1
1 45 . 8 1 1 A 15 15 PHE C C 15 175.000 175.279 -0.279 1
1 46 . 8 1 1 A 15 15 PHE CA C 15 56.600 56.019 0.581 1
1 47 . 8 1 1 A 15 15 PHE CB C 15 42.600 41.694 0.906 1
1 53 . 8 1 1 A 15 15 PHE N N 15 118.500 120.417 -1.917 1
1 54 . 8 1 1 A 16 16 ILE H H 16 9.160 8.503 0.657 1
1 55 . 8 1 1 A 16 16 ILE HA H 16 4.710 5.030 -0.320 1
1 65 . 8 1 1 A 16 16 ILE C C 16 173.400 174.207 -0.807 1
1 66 . 8 1 1 A 16 16 ILE CA C 16 59.300 59.403 -0.103 1
1 67 . 8 1 1 A 16 16 ILE CB C 16 42.100 42.268 -0.168 1
1 71 . 8 1 1 A 16 16 ILE N N 16 116.700 117.152 -0.452 1
1 72 . 8 1 1 A 17 17 LYS H H 17 8.530 8.589 -0.059 1
1 73 . 8 1 1 A 17 17 LYS HA H 17 5.220 5.051 0.169 1
1 82 . 8 1 1 A 17 17 LYS C C 17 176.400 175.953 0.447 1
1 83 . 8 1 1 A 17 17 LYS CA C 17 54.900 55.525 -0.625 1
1 84 . 8 1 1 A 17 17 LYS CB C 17 34.100 33.777 0.323 1
1 88 . 8 1 1 A 17 17 LYS N N 17 123.200 123.464 -0.264 1
1 89 . 8 1 1 A 18 18 VAL H H 18 8.900 8.528 0.372 1
1 90 . 8 1 1 A 18 18 VAL HA H 18 4.990 4.983 0.007 1
1 98 . 8 1 1 A 18 18 VAL C C 18 174.300 174.242 0.058 1
1 99 . 8 1 1 A 18 18 VAL CA C 18 58.600 58.711 -0.111 1
1 100 . 8 1 1 A 18 18 VAL CB C 18 35.600 36.024 -0.424 1
1 103 . 8 1 1 A 18 18 VAL N N 18 117.500 117.515 -0.015 1
1 104 . 8 1 1 A 19 19 ASN H H 19 7.830 8.507 -0.677 1
1 105 . 8 1 1 A 19 19 ASN HA H 19 5.780 5.536 0.244 1
1 110 . 8 1 1 A 19 19 ASN C C 19 175.300 174.256 1.044 1
1 111 . 8 1 1 A 19 19 ASN CA C 19 51.000 51.777 -0.777 1
1 112 . 8 1 1 A 19 19 ASN CB C 19 39.500 40.745 -1.245 1
1 114 . 8 1 1 A 19 19 ASN N N 19 117.700 119.497 -1.797 1
1 116 . 8 1 1 A 20 20 VAL H H 20 9.140 8.162 0.978 1
1 117 . 8 1 1 A 20 20 VAL HA H 20 5.480 4.893 0.587 1
1 125 . 8 1 1 A 20 20 VAL C C 20 174.900 174.462 0.438 1
1 126 . 8 1 1 A 20 20 VAL CA C 20 61.100 60.578 0.522 1
1 127 . 8 1 1 A 20 20 VAL CB C 20 35.000 34.267 0.733 1
1 130 . 8 1 1 A 20 20 VAL N N 20 120.600 122.998 -2.398 1
1 131 . 8 1 1 A 21 21 SER H H 21 9.700 8.715 0.985 1
1 132 . 8 1 1 A 21 21 SER HA H 21 4.930 5.289 -0.359 1
1 135 . 8 1 1 A 21 21 SER C C 21 172.900 172.464 0.436 1
1 136 . 8 1 1 A 21 21 SER CA C 21 57.300 56.441 0.859 1
1 137 . 8 1 1 A 21 21 SER CB C 21 66.900 66.312 0.588 1
1 138 . 8 1 1 A 21 21 SER N N 21 125.600 122.005 3.595 1
1 139 . 8 1 1 A 22 22 ASN H H 22 9.800 8.811 0.989 1
1 140 . 8 1 1 A 22 22 ASN HA H 22 5.240 5.173 0.067 1
1 145 . 8 1 1 A 22 22 ASN C C 22 174.200 175.492 -1.292 1
1 146 . 8 1 1 A 22 22 ASN CA C 22 53.500 51.796 1.704 1
1 147 . 8 1 1 A 22 22 ASN CB C 22 43.000 40.853 2.147 1
1 149 . 8 1 1 A 22 22 ASN N N 22 116.100 123.504 -7.404 1
1 151 . 8 1 1 A 23 23 SER H H 23 8.200 8.108 0.092 1
1 152 . 8 1 1 A 23 23 SER HA H 23 4.370 4.301 0.069 1
1 155 . 8 1 1 A 23 23 SER CA C 23 59.700 62.355 -2.655 1
1 156 . 8 1 1 A 23 23 SER CB C 23 64.500 63.006 1.494 1
1 157 . 8 1 1 A 23 23 SER N N 23 111.800 118.520 -6.720 1
1 158 . 8 1 1 A 24 24 HIS H H 24 9.070 7.875 1.195 1
1 159 . 8 1 1 A 24 24 HIS HA H 24 4.790 4.809 -0.019 1
1 164 . 8 1 1 A 24 24 HIS C C 24 175.100 174.926 0.174 1
1 165 . 8 1 1 A 24 24 HIS CA C 24 57.000 54.714 2.286 1
1 166 . 8 1 1 A 24 24 HIS CB C 24 31.300 31.610 -0.310 1
1 169 . 8 1 1 A 24 24 HIS N N 24 121.900 116.529 5.371 1
1 171 . 8 1 1 A 25 25 ASN H H 25 8.420 9.011 -0.591 1
1 172 . 8 1 1 A 25 25 ASN HA H 25 4.710 4.715 -0.005 1
1 177 . 8 1 1 A 25 25 ASN C C 25 173.900 174.713 -0.813 1
1 178 . 8 1 1 A 25 25 ASN CA C 25 52.800 53.699 -0.899 1
1 179 . 8 1 1 A 25 25 ASN CB C 25 39.500 37.700 1.800 1
1 181 . 8 1 1 A 25 25 ASN N N 25 119.300 121.077 -1.777 1
1 183 . 8 1 1 A 26 26 ASP H H 26 8.130 8.922 -0.792 1
1 184 . 8 1 1 A 26 26 ASP HA H 26 4.660 4.712 -0.052 1
1 187 . 8 1 1 A 26 26 ASP C C 26 176.300 176.280 0.020 1
1 188 . 8 1 1 A 26 26 ASP CA C 26 53.600 53.850 -0.250 1
1 189 . 8 1 1 A 26 26 ASP CB C 26 40.900 40.469 0.431 1
1 190 . 8 1 1 A 26 26 ASP N N 26 115.800 123.508 -7.708 1
1 191 . 8 1 1 A 27 27 ALA H H 27 8.330 7.347 0.983 1
1 192 . 8 1 1 A 27 27 ALA HA H 27 4.210 4.151 0.059 1
1 196 . 8 1 1 A 27 27 ALA C C 27 178.500 176.612 1.888 1
1 197 . 8 1 1 A 27 27 ALA CA C 27 53.100 52.489 0.611 1
1 198 . 8 1 1 A 27 27 ALA CB C 27 19.200 18.751 0.449 1
1 199 . 8 1 1 A 27 27 ALA N N 27 124.500 123.308 1.192 1
1 200 . 8 1 1 A 28 28 VAL H H 28 8.310 8.459 -0.149 1
1 201 . 8 1 1 A 28 28 VAL HA H 28 4.360 4.588 -0.228 1
1 209 . 8 1 1 A 28 28 VAL CA C 28 61.000 60.221 0.779 1
1 210 . 8 1 1 A 28 28 VAL CB C 28 35.000 35.397 -0.397 1
1 213 . 8 1 1 A 28 28 VAL N N 28 124.500 123.103 1.397 1
1 214 . 8 1 1 A 29 29 ALA H H 29 8.460 8.302 0.158 1
1 215 . 8 1 1 A 29 29 ALA HA H 29 4.590 5.522 -0.932 1
1 219 . 8 1 1 A 29 29 ALA C C 29 175.800 175.666 0.134 1
1 220 . 8 1 1 A 29 29 ALA CA C 29 50.400 49.661 0.739 1
1 221 . 8 1 1 A 29 29 ALA CB C 29 20.100 22.626 -2.526 1
1 222 . 8 1 1 A 30 30 PHE H H 30 8.640 8.917 -0.277 1
1 223 . 8 1 1 A 30 30 PHE HA H 30 4.870 4.975 -0.105 1
1 231 . 8 1 1 A 30 30 PHE C C 30 175.800 175.439 0.361 1
1 232 . 8 1 1 A 30 30 PHE CA C 30 57.300 56.351 0.949 1
1 233 . 8 1 1 A 30 30 PHE CB C 30 41.600 42.320 -0.720 1
1 239 . 8 1 1 A 30 30 PHE N N 30 122.100 118.087 4.013 1
1 240 . 8 1 1 A 31 31 GLU H H 31 8.670 8.873 -0.203 1
1 241 . 8 1 1 A 31 31 GLU HA H 31 3.530 3.823 -0.293 1
1 246 . 8 1 1 A 31 31 GLU C C 31 174.700 175.122 -0.422 1
1 247 . 8 1 1 A 31 31 GLU CA C 31 57.200 57.183 0.017 1
1 248 . 8 1 1 A 31 31 GLU CB C 31 27.600 27.902 -0.302 1
1 250 . 8 1 1 A 31 31 GLU N N 31 118.900 119.079 -0.179 1
1 251 . 8 1 1 A 32 32 VAL H H 32 9.100 7.478 1.622 1
1 252 . 8 1 1 A 32 32 VAL HA H 32 3.770 4.168 -0.398 1
1 260 . 8 1 1 A 32 32 VAL C C 32 175.400 175.899 -0.499 1
1 261 . 8 1 1 A 32 32 VAL CA C 32 62.900 62.488 0.412 1
1 262 . 8 1 1 A 32 32 VAL CB C 32 32.200 32.775 -0.575 1
1 265 . 8 1 1 A 32 32 VAL N N 32 122.300 118.315 3.985 1
1 266 . 8 1 1 A 33 33 LYS H H 33 8.330 8.528 -0.198 1
1 267 . 8 1 1 A 33 33 LYS HA H 33 4.980 4.797 0.183 1
1 276 . 8 1 1 A 33 33 LYS C C 33 176.300 175.780 0.520 1
1 277 . 8 1 1 A 33 33 LYS CA C 33 55.700 56.436 -0.736 1
1 278 . 8 1 1 A 33 33 LYS CB C 33 33.500 33.059 0.441 1
1 282 . 8 1 1 A 33 33 LYS N N 33 128.300 127.918 0.382 1
1 283 . 8 1 1 A 34 34 LEU H H 34 9.140 8.406 0.734 1
1 284 . 8 1 1 A 34 34 LEU HA H 34 4.750 4.913 -0.163 1
1 294 . 8 1 1 A 34 34 LEU C C 34 175.000 176.208 -1.208 1
1 295 . 8 1 1 A 34 34 LEU CA C 34 52.900 53.871 -0.971 1
1 296 . 8 1 1 A 34 34 LEU CB C 34 46.700 45.315 1.385 1
1 300 . 8 1 1 A 34 34 LEU N N 34 126.700 124.658 2.042 1
1 301 . 8 1 1 A 35 35 ALA H H 35 8.650 8.814 -0.164 1
1 302 . 8 1 1 A 35 35 ALA HA H 35 4.100 3.982 0.118 1
1 306 . 8 1 1 A 35 35 ALA C C 35 178.000 177.836 0.164 1
1 307 . 8 1 1 A 35 35 ALA CA C 35 52.300 52.176 0.124 1
1 308 . 8 1 1 A 35 35 ALA CB C 35 19.100 18.830 0.270 1
1 309 . 8 1 1 A 35 35 ALA N N 35 126.600 127.944 -1.344 1
1 310 . 8 1 1 A 36 36 LYS H H 36 8.230 8.907 -0.677 1
1 311 . 8 1 1 A 36 36 LYS HA H 36 3.710 4.128 -0.418 1
1 320 . 8 1 1 A 36 36 LYS C C 36 176.000 176.986 -0.986 1
1 321 . 8 1 1 A 36 36 LYS CA C 36 59.800 58.267 1.533 1
1 322 . 8 1 1 A 36 36 LYS CB C 36 33.200 32.174 1.026 1
1 326 . 8 1 1 A 36 36 LYS N N 36 119.200 125.851 -6.651 1
1 327 . 8 1 1 A 37 37 ASP H H 37 8.060 8.007 0.053 1
1 328 . 8 1 1 A 37 37 ASP HA H 37 4.470 4.530 -0.060 1
1 331 . 8 1 1 A 37 37 ASP C C 37 176.800 176.414 0.386 1
1 332 . 8 1 1 A 37 37 ASP CA C 37 53.000 54.106 -1.106 1
1 333 . 8 1 1 A 37 37 ASP CB C 37 39.700 39.819 -0.119 1
1 334 . 8 1 1 A 37 37 ASP N N 37 112.700 116.303 -3.603 1
1 335 . 8 1 1 A 38 38 LEU H H 38 7.170 6.934 0.236 1
1 336 . 8 1 1 A 38 38 LEU HA H 38 4.280 4.185 0.095 1
1 346 . 8 1 1 A 38 38 LEU C C 38 177.600 177.238 0.362 1
1 347 . 8 1 1 A 38 38 LEU CA C 38 55.800 54.851 0.949 1
1 348 . 8 1 1 A 38 38 LEU CB C 38 43.900 42.847 1.053 1
1 352 . 8 1 1 A 38 38 LEU N N 38 122.100 122.417 -0.317 1
1 353 . 8 1 1 A 39 39 THR H H 39 8.430 8.643 -0.213 1
1 354 . 8 1 1 A 39 39 THR HA H 39 5.010 4.788 0.222 1
1 360 . 8 1 1 A 39 39 THR C C 39 176.500 176.181 0.319 1
1 361 . 8 1 1 A 39 39 THR CA C 39 60.900 60.432 0.468 1
1 362 . 8 1 1 A 39 39 THR CB C 39 71.200 71.278 -0.078 1
1 364 . 8 1 1 A 39 39 THR N N 39 112.800 115.005 -2.205 1
1 365 . 8 1 1 A 40 40 VAL H H 40 8.740 8.407 0.333 1
1 366 . 8 1 1 A 40 40 VAL HA H 40 3.530 3.695 -0.165 1
1 374 . 8 1 1 A 40 40 VAL C C 40 178.200 177.381 0.819 1
1 375 . 8 1 1 A 40 40 VAL CA C 40 67.300 66.711 0.589 1
1 376 . 8 1 1 A 40 40 VAL CB C 40 31.600 31.702 -0.102 1
1 379 . 8 1 1 A 40 40 VAL N N 40 123.600 122.319 1.281 1
1 380 . 8 1 1 A 41 41 ALA H H 41 8.520 8.205 0.315 1
1 381 . 8 1 1 A 41 41 ALA HA H 41 3.950 3.926 0.024 1
1 385 . 8 1 1 A 41 41 ALA C C 41 180.700 180.165 0.535 1
1 386 . 8 1 1 A 41 41 ALA CA C 41 56.100 55.666 0.434 1
1 387 . 8 1 1 A 41 41 ALA CB C 41 18.800 18.258 0.542 1
1 388 . 8 1 1 A 41 41 ALA N N 41 121.400 122.244 -0.844 1
1 389 . 8 1 1 A 42 42 GLN H H 42 7.740 7.676 0.064 1
1 390 . 8 1 1 A 42 42 GLN HA H 42 4.060 4.037 0.023 1
1 397 . 8 1 1 A 42 42 GLN C C 42 180.300 178.688 1.612 1
1 398 . 8 1 1 A 42 42 GLN CA C 42 58.600 58.795 -0.195 1
1 399 . 8 1 1 A 42 42 GLN CB C 42 29.200 28.488 0.712 1
1 402 . 8 1 1 A 42 42 GLN N N 42 117.500 118.008 -0.508 1
1 404 . 8 1 1 A 43 43 LEU H H 43 9.210 7.726 1.484 1
1 405 . 8 1 1 A 43 43 LEU HA H 43 3.940 4.146 -0.206 1
1 415 . 8 1 1 A 43 43 LEU C C 43 178.300 178.633 -0.333 1
1 416 . 8 1 1 A 43 43 LEU CA C 43 57.900 57.407 0.493 1
1 417 . 8 1 1 A 43 43 LEU CB C 43 41.300 41.770 -0.470 1
1 421 . 8 1 1 A 43 43 LEU N N 43 123.000 121.829 1.171 1
1 422 . 8 1 1 A 44 44 LYS H H 44 8.740 8.175 0.565 1
1 423 . 8 1 1 A 44 44 LYS HA H 44 3.860 3.979 -0.119 1
1 432 . 8 1 1 A 44 44 LYS C C 44 178.300 179.407 -1.107 1
1 433 . 8 1 1 A 44 44 LYS CA C 44 61.100 59.306 1.794 1
1 434 . 8 1 1 A 44 44 LYS CB C 44 32.800 32.278 0.522 1
1 438 . 8 1 1 A 44 44 LYS N N 44 119.300 119.825 -0.525 1
1 439 . 8 1 1 A 45 45 THR H H 45 7.440 7.490 -0.050 1
1 440 . 8 1 1 A 45 45 THR HA H 45 3.930 3.993 -0.063 1
1 445 . 8 1 1 A 45 45 THR C C 45 176.700 177.244 -0.544 1
1 446 . 8 1 1 A 45 45 THR CA C 45 67.100 65.124 1.976 1
1 447 . 8 1 1 A 45 45 THR CB C 45 68.800 68.672 0.128 1
1 449 . 8 1 1 A 45 45 THR N N 45 114.000 114.150 -0.150 1
1 450 . 8 1 1 A 46 46 LYS H H 46 7.500 7.648 -0.148 1
1 451 . 8 1 1 A 46 46 LYS HA H 46 4.100 3.994 0.106 1
1 460 . 8 1 1 A 46 46 LYS C C 46 179.700 179.680 0.020 1
1 461 . 8 1 1 A 46 46 LYS CA C 46 59.400 59.831 -0.431 1
1 462 . 8 1 1 A 46 46 LYS CB C 46 32.100 32.382 -0.282 1
1 466 . 8 1 1 A 46 46 LYS N N 46 121.700 121.003 0.697 1
1 467 . 8 1 1 A 47 47 LEU H H 47 9.010 8.691 0.319 1
1 468 . 8 1 1 A 47 47 LEU HA H 47 4.040 3.973 0.067 1
1 478 . 8 1 1 A 47 47 LEU C C 47 180.000 178.756 1.244 1
1 479 . 8 1 1 A 47 47 LEU CA C 47 57.200 57.939 -0.739 1
1 480 . 8 1 1 A 47 47 LEU CB C 47 40.700 41.331 -0.631 1
1 484 . 8 1 1 A 47 47 LEU N N 47 118.000 119.703 -1.703 1
1 485 . 8 1 1 A 48 48 GLU H H 48 8.450 8.632 -0.182 1
1 486 . 8 1 1 A 48 48 GLU HA H 48 4.050 4.003 0.047 1
1 491 . 8 1 1 A 48 48 GLU C C 48 178.800 179.357 -0.557 1
1 492 . 8 1 1 A 48 48 GLU CA C 48 59.700 59.564 0.136 1
1 493 . 8 1 1 A 48 48 GLU CB C 48 29.400 29.418 -0.018 1
1 495 . 8 1 1 A 48 48 GLU N N 48 126.300 119.984 6.316 1
1 496 . 8 1 1 A 49 49 ILE H H 49 7.180 7.702 -0.522 1
1 497 . 8 1 1 A 49 49 ILE HA H 49 3.780 3.670 0.110 1
1 507 . 8 1 1 A 49 49 ILE C C 49 178.000 178.650 -0.650 1
1 508 . 8 1 1 A 49 49 ILE CA C 49 64.000 65.584 -1.584 1
1 509 . 8 1 1 A 49 49 ILE CB C 49 38.100 37.690 0.410 1
1 513 . 8 1 1 A 49 49 ILE N N 49 119.600 119.674 -0.074 1
1 514 . 8 1 1 A 50 50 LEU H H 50 7.520 7.895 -0.375 1
1 515 . 8 1 1 A 50 50 LEU HA H 50 4.160 3.961 0.199 1
1 525 . 8 1 1 A 50 50 LEU C C 50 178.400 178.211 0.189 1
1 526 . 8 1 1 A 50 50 LEU CA C 50 57.500 57.960 -0.460 1
1 527 . 8 1 1 A 50 50 LEU CB C 50 44.300 41.583 2.717 1
1 531 . 8 1 1 A 50 50 LEU N N 50 116.800 118.953 -2.153 1
1 532 . 8 1 1 A 51 51 THR H H 51 8.160 8.353 -0.193 1
1 533 . 8 1 1 A 51 51 THR HA H 51 4.490 4.447 0.043 1
1 538 . 8 1 1 A 51 51 THR C C 51 175.600 175.871 -0.271 1
1 539 . 8 1 1 A 51 51 THR CA C 51 62.400 62.241 0.159 1
1 540 . 8 1 1 A 51 51 THR CB C 51 72.900 70.628 2.272 1
1 542 . 8 1 1 A 51 51 THR N N 51 104.100 106.073 -1.973 1
1 543 . 8 1 1 A 52 52 GLY H H 52 8.080 8.582 -0.502 1
1 544 . 8 1 1 A 52 52 GLY HA2 H 52 3.830 3.911 -0.081 1
1 545 . 8 1 1 A 52 52 GLY HA3 H 52 4.250 3.912 0.338 1
1 546 . 8 1 1 A 52 52 GLY C C 52 174.800 174.559 0.241 1
1 547 . 8 1 1 A 52 52 GLY CA C 52 45.500 46.384 -0.884 1
1 548 . 8 1 1 A 52 52 GLY N N 52 112.100 111.782 0.318 1
1 549 . 8 1 1 A 53 53 GLY H H 53 7.880 8.089 -0.209 1
1 550 . 8 1 1 A 53 53 GLY HA2 H 53 3.220 3.985 -0.765 1
1 551 . 8 1 1 A 53 53 GLY HA3 H 53 4.040 3.986 0.054 1
1 552 . 8 1 1 A 53 53 GLY C C 53 170.900 173.189 -2.289 1
1 553 . 8 1 1 A 53 53 GLY CA C 53 44.300 44.329 -0.029 1
1 554 . 8 1 1 A 53 53 GLY N N 53 107.000 107.600 -0.600 1
1 555 . 8 1 1 A 54 54 CYS H H 54 8.690 8.264 0.426 1
1 556 . 8 1 1 A 54 54 CYS HA H 54 4.430 5.115 -0.685 1
1 559 . 8 1 1 A 54 54 CYS C C 54 176.100 174.964 1.136 1
1 560 . 8 1 1 A 54 54 CYS CA C 54 57.900 58.447 -0.547 1
1 561 . 8 1 1 A 54 54 CYS CB C 54 27.800 30.109 -2.309 1
1 562 . 8 1 1 A 54 54 CYS N N 54 120.200 119.543 0.657 1
1 563 . 8 1 1 A 55 55 ALA H H 55 10.100 9.064 1.036 1
1 564 . 8 1 1 A 55 55 ALA HA H 55 3.890 3.959 -0.069 1
1 568 . 8 1 1 A 55 55 ALA C C 55 178.900 178.649 0.251 1
1 569 . 8 1 1 A 55 55 ALA CA C 55 55.700 55.157 0.543 1
1 570 . 8 1 1 A 55 55 ALA CB C 55 18.500 18.562 -0.062 1
1 571 . 8 1 1 A 55 55 ALA N N 55 133.900 128.938 4.962 1
1 572 . 8 1 1 A 56 56 GLY H H 56 8.380 8.388 -0.008 1
1 573 . 8 1 1 A 56 56 GLY HA2 H 56 3.910 3.921 -0.011 1
1 574 . 8 1 1 A 56 56 GLY HA3 H 56 3.910 3.921 -0.011 1
1 575 . 8 1 1 A 56 56 GLY C C 56 174.600 174.963 -0.363 1
1 576 . 8 1 1 A 56 56 GLY CA C 56 45.900 45.754 0.146 1
1 577 . 8 1 1 A 56 56 GLY N N 56 104.300 105.505 -1.205 1
1 578 . 8 1 1 A 57 57 THR H H 57 7.310 7.781 -0.471 1
1 579 . 8 1 1 A 57 57 THR HA H 57 4.520 4.557 -0.037 1
1 584 . 8 1 1 A 57 57 THR C C 57 175.500 174.697 0.803 1
1 585 . 8 1 1 A 57 57 THR CA C 57 61.400 62.361 -0.961 1
1 586 . 8 1 1 A 57 57 THR CB C 57 69.900 70.016 -0.116 1
1 588 . 8 1 1 A 57 57 THR N N 57 107.700 109.534 -1.834 1
1 589 . 8 1 1 A 58 58 MET H H 58 7.910 7.887 0.023 1
1 590 . 8 1 1 A 58 58 MET HA H 58 4.540 4.602 -0.062 1
1 598 . 8 1 1 A 58 58 MET C C 58 175.100 175.940 -0.840 1
1 599 . 8 1 1 A 58 58 MET CA C 58 56.900 56.178 0.722 1
1 600 . 8 1 1 A 58 58 MET CB C 58 33.700 32.961 0.739 1
1 603 . 8 1 1 A 58 58 MET N N 58 120.700 120.977 -0.277 1
1 604 . 8 1 1 A 59 59 LYS H H 59 8.780 8.520 0.260 1
1 605 . 8 1 1 A 59 59 LYS HA H 59 4.610 5.086 -0.476 1
1 614 . 8 1 1 A 59 59 LYS C C 59 174.500 175.079 -0.579 1
1 615 . 8 1 1 A 59 59 LYS CA C 59 54.500 54.849 -0.349 1
1 616 . 8 1 1 A 59 59 LYS CB C 59 34.700 35.879 -1.179 1
1 620 . 8 1 1 A 59 59 LYS N N 59 122.400 120.876 1.524 1
1 621 . 8 1 1 A 60 60 VAL H H 60 8.740 8.499 0.241 1
1 622 . 8 1 1 A 60 60 VAL HA H 60 4.700 4.950 -0.250 1
1 630 . 8 1 1 A 60 60 VAL C C 60 175.000 175.182 -0.182 1
1 631 . 8 1 1 A 60 60 VAL CA C 60 61.300 60.868 0.432 1
1 632 . 8 1 1 A 60 60 VAL CB C 60 33.400 33.856 -0.456 1
1 635 . 8 1 1 A 60 60 VAL N N 60 122.100 121.509 0.591 1
1 636 . 8 1 1 A 61 61 GLN H H 61 9.250 8.638 0.612 1
1 637 . 8 1 1 A 61 61 GLN HA H 61 4.790 4.934 -0.144 1
1 644 . 8 1 1 A 61 61 GLN C C 61 174.700 174.292 0.408 1
1 645 . 8 1 1 A 61 61 GLN CA C 61 54.200 54.203 -0.003 1
1 646 . 8 1 1 A 61 61 GLN CB C 61 32.800 32.642 0.158 1
1 649 . 8 1 1 A 61 61 GLN N N 61 126.400 125.371 1.029 1
1 651 . 8 1 1 A 62 62 VAL H H 62 8.690 8.423 0.267 1
1 652 . 8 1 1 A 62 62 VAL HA H 62 4.650 4.737 -0.087 1
1 660 . 8 1 1 A 62 62 VAL C C 62 174.700 174.733 -0.033 1
1 661 . 8 1 1 A 62 62 VAL CA C 62 61.800 61.322 0.478 1
1 662 . 8 1 1 A 62 62 VAL CB C 62 32.500 32.860 -0.360 1
1 665 . 8 1 1 A 62 62 VAL N N 62 121.700 122.040 -0.340 1
1 666 . 8 1 1 A 63 63 PHE H H 63 10.020 9.255 0.765 1
1 667 . 8 1 1 A 63 63 PHE HA H 63 5.170 5.201 -0.031 1
1 675 . 8 1 1 A 63 63 PHE C C 63 175.100 174.525 0.575 1
1 676 . 8 1 1 A 63 63 PHE CA C 63 56.800 55.838 0.962 1
1 677 . 8 1 1 A 63 63 PHE CB C 63 42.900 43.315 -0.415 1
1 683 . 8 1 1 A 63 63 PHE N N 63 127.100 125.825 1.275 1
1 684 . 8 1 1 A 64 64 LYS H H 64 8.710 8.609 0.101 1
1 685 . 8 1 1 A 64 64 LYS HA H 64 4.650 4.619 0.031 1
1 694 . 8 1 1 A 64 64 LYS C C 64 176.900 176.674 0.226 1
1 695 . 8 1 1 A 64 64 LYS CA C 64 55.100 54.869 0.231 1
1 696 . 8 1 1 A 64 64 LYS CB C 64 34.100 33.440 0.660 1
1 700 . 8 1 1 A 64 64 LYS N N 64 123.900 123.360 0.540 1
1 701 . 8 1 1 A 65 65 GLY H H 65 9.160 8.968 0.192 1
1 702 . 8 1 1 A 65 65 GLY HA2 H 65 3.680 3.885 -0.205 1
1 703 . 8 1 1 A 65 65 GLY HA3 H 65 4.050 3.888 0.162 1
1 704 . 8 1 1 A 65 65 GLY C C 65 174.600 174.468 0.132 1
1 705 . 8 1 1 A 65 65 GLY CA C 65 47.200 47.172 0.028 1
1 706 . 8 1 1 A 65 65 GLY N N 65 118.800 114.968 3.832 1
1 707 . 8 1 1 A 66 66 ASP H H 66 8.760 8.718 0.042 1
1 708 . 8 1 1 A 66 66 ASP HA H 66 4.700 4.684 0.016 1
1 711 . 8 1 1 A 66 66 ASP C C 66 176.000 175.249 0.751 1
1 712 . 8 1 1 A 66 66 ASP CA C 66 54.300 53.454 0.846 1
1 713 . 8 1 1 A 66 66 ASP CB C 66 41.300 40.605 0.695 1
1 714 . 8 1 1 A 66 66 ASP N N 66 126.400 126.225 0.175 1
1 715 . 8 1 1 A 67 67 THR H H 67 8.020 7.625 0.395 1
1 716 . 8 1 1 A 67 67 THR HA H 67 4.300 4.935 -0.635 1
1 721 . 8 1 1 A 67 67 THR C C 67 172.100 173.518 -1.418 1
1 722 . 8 1 1 A 67 67 THR CA C 67 62.400 61.432 0.968 1
1 723 . 8 1 1 A 67 67 THR CB C 67 70.700 71.168 -0.468 1
1 725 . 8 1 1 A 67 67 THR N N 67 117.500 114.410 3.090 1
1 726 . 8 1 1 A 68 68 CYS H H 68 8.940 8.801 0.139 1
1 727 . 8 1 1 A 68 68 CYS HA H 68 3.400 4.354 -0.954 1
1 730 . 8 1 1 A 68 68 CYS C C 68 174.900 175.042 -0.142 1
1 731 . 8 1 1 A 68 68 CYS CA C 68 58.700 58.523 0.177 1
1 732 . 8 1 1 A 68 68 CYS CB C 68 25.600 27.593 -1.993 1
1 733 . 8 1 1 A 68 68 CYS N N 68 129.500 125.115 4.385 1
1 734 . 8 1 1 A 69 69 VAL H H 69 9.090 8.226 0.864 1
1 735 . 8 1 1 A 69 69 VAL HA H 69 4.150 3.824 0.326 1
1 743 . 8 1 1 A 69 69 VAL C C 69 176.300 175.357 0.943 1
1 744 . 8 1 1 A 69 69 VAL CA C 69 62.900 64.424 -1.524 1
1 745 . 8 1 1 A 69 69 VAL CB C 69 32.800 32.009 0.791 1
1 748 . 8 1 1 A 69 69 VAL N N 69 127.500 125.929 1.571 1
1 749 . 8 1 1 A 70 70 SER H H 70 7.640 6.980 0.660 1
1 750 . 8 1 1 A 70 70 SER HA H 70 4.550 4.647 -0.097 1
1 753 . 8 1 1 A 70 70 SER C C 70 172.300 171.814 0.486 1
1 754 . 8 1 1 A 70 70 SER CA C 70 58.700 57.754 0.946 1
1 755 . 8 1 1 A 70 70 SER CB C 70 65.100 66.711 -1.611 1
1 756 . 8 1 1 A 70 70 SER N N 70 113.400 112.467 0.933 1
1 757 . 8 1 1 A 71 71 THR H H 71 8.220 8.431 -0.211 1
1 758 . 8 1 1 A 71 71 THR HA H 71 4.580 4.837 -0.257 1
1 763 . 8 1 1 A 71 71 THR C C 71 174.000 174.321 -0.321 1
1 764 . 8 1 1 A 71 71 THR CA C 71 61.800 61.100 0.700 1
1 765 . 8 1 1 A 71 71 THR CB C 71 70.500 71.339 -0.839 1
1 767 . 8 1 1 A 71 71 THR N N 71 114.500 115.640 -1.140 1
1 768 . 8 1 1 A 72 72 MET H H 72 8.260 8.784 -0.524 1
1 769 . 8 1 1 A 72 72 MET HA H 72 2.990 3.935 -0.945 1
1 777 . 8 1 1 A 72 72 MET C C 72 175.700 175.504 0.196 1
1 778 . 8 1 1 A 72 72 MET CA C 72 55.100 53.978 1.122 1
1 779 . 8 1 1 A 72 72 MET CB C 72 30.200 30.811 -0.611 1
1 782 . 8 1 1 A 72 72 MET N N 72 121.800 125.066 -3.266 1
1 783 . 8 1 1 A 73 73 ASP H H 73 7.830 8.221 -0.391 1
1 784 . 8 1 1 A 73 73 ASP HA H 73 4.370 4.686 -0.316 1
1 787 . 8 1 1 A 73 73 ASP C C 73 175.100 176.354 -1.254 1
1 788 . 8 1 1 A 73 73 ASP CA C 73 55.800 55.140 0.660 1
1 789 . 8 1 1 A 73 73 ASP CB C 73 41.800 42.142 -0.342 1
1 790 . 8 1 1 A 73 73 ASP N N 73 125.100 124.519 0.581 1
1 791 . 8 1 1 A 74 74 ASN H H 74 7.480 7.608 -0.128 1
1 792 . 8 1 1 A 74 74 ASN HA H 74 4.890 4.946 -0.056 1
1 797 . 8 1 1 A 74 74 ASN C C 74 175.800 175.309 0.491 1
1 798 . 8 1 1 A 74 74 ASN CA C 74 51.600 52.731 -1.131 1
1 799 . 8 1 1 A 74 74 ASN CB C 74 38.800 38.007 0.793 1
1 801 . 8 1 1 A 74 74 ASN N N 74 116.400 117.493 -1.093 1
1 803 . 8 1 1 A 75 75 ASN H H 75 8.870 8.926 -0.056 1
1 804 . 8 1 1 A 75 75 ASN HA H 75 4.390 4.470 -0.080 1
1 809 . 8 1 1 A 75 75 ASN C C 75 175.700 176.989 -1.289 1
1 810 . 8 1 1 A 75 75 ASN CA C 75 55.600 55.991 -0.391 1
1 811 . 8 1 1 A 75 75 ASN CB C 75 39.200 38.273 0.927 1
1 813 . 8 1 1 A 75 75 ASN N N 75 123.600 124.028 -0.428 1
1 815 . 8 1 1 A 76 76 ASP H H 76 8.060 7.877 0.183 1
1 816 . 8 1 1 A 76 76 ASP HA H 76 4.750 4.582 0.168 1
1 819 . 8 1 1 A 76 76 ASP C C 76 176.200 176.359 -0.159 1
1 820 . 8 1 1 A 76 76 ASP CA C 76 54.200 55.165 -0.965 1
1 821 . 8 1 1 A 76 76 ASP CB C 76 41.700 40.827 0.873 1
1 822 . 8 1 1 A 76 76 ASP N N 76 115.100 117.029 -1.929 1
1 823 . 8 1 1 A 77 77 ALA H H 77 7.140 7.248 -0.108 1
1 824 . 8 1 1 A 77 77 ALA HA H 77 4.160 4.143 0.017 1
1 828 . 8 1 1 A 77 77 ALA C C 77 176.100 177.284 -1.184 1
1 829 . 8 1 1 A 77 77 ALA CA C 77 51.400 51.770 -0.370 1
1 830 . 8 1 1 A 77 77 ALA CB C 77 20.100 19.617 0.483 1
1 831 . 8 1 1 A 77 77 ALA N N 77 122.600 122.891 -0.291 1
1 832 . 8 1 1 A 78 78 GLN H H 78 8.090 8.948 -0.858 1
1 833 . 8 1 1 A 78 78 GLN HA H 78 4.750 4.456 0.294 1
1 840 . 8 1 1 A 78 78 GLN C C 78 177.900 177.707 0.193 1
1 841 . 8 1 1 A 78 78 GLN CA C 78 55.200 55.253 -0.053 1
1 842 . 8 1 1 A 78 78 GLN CB C 78 29.500 29.531 -0.031 1
1 845 . 8 1 1 A 78 78 GLN N N 78 116.500 120.382 -3.882 1
1 847 . 8 1 1 A 79 79 LEU H H 79 9.380 9.212 0.168 1
1 848 . 8 1 1 A 79 79 LEU HA H 79 4.060 4.187 -0.127 1
1 858 . 8 1 1 A 79 79 LEU C C 79 179.200 179.285 -0.085 1
1 859 . 8 1 1 A 79 79 LEU CA C 79 58.900 58.005 0.895 1
1 860 . 8 1 1 A 79 79 LEU CB C 79 42.000 41.564 0.436 1
1 864 . 8 1 1 A 79 79 LEU N N 79 123.800 125.939 -2.139 1
1 865 . 8 1 1 A 80 80 GLY H H 80 9.130 7.990 1.140 1
1 866 . 8 1 1 A 80 80 GLY HA2 H 80 3.750 3.931 -0.181 1
1 867 . 8 1 1 A 80 80 GLY HA3 H 80 4.160 3.952 0.208 1
1 868 . 8 1 1 A 80 80 GLY C C 80 174.100 174.947 -0.847 1
1 869 . 8 1 1 A 80 80 GLY CA C 80 45.600 46.206 -0.606 1
1 870 . 8 1 1 A 80 80 GLY N N 80 104.000 106.227 -2.227 1
1 871 . 8 1 1 A 81 81 TYR H H 81 7.900 8.033 -0.133 1
1 872 . 8 1 1 A 81 81 TYR HA H 81 4.000 3.933 0.067 1
1 879 . 8 1 1 A 81 81 TYR C C 81 176.300 176.925 -0.625 1
1 880 . 8 1 1 A 81 81 TYR CA C 81 60.600 60.739 -0.139 1
1 881 . 8 1 1 A 81 81 TYR CB C 81 38.700 38.175 0.525 1
1 886 . 8 1 1 A 81 81 TYR N N 81 120.300 122.503 -2.203 1
1 887 . 8 1 1 A 82 82 TYR H H 82 7.430 7.889 -0.459 1
1 888 . 8 1 1 A 82 82 TYR HA H 82 4.340 4.582 -0.242 1
1 895 . 8 1 1 A 82 82 TYR C C 82 175.500 175.464 0.036 1
1 896 . 8 1 1 A 82 82 TYR CA C 82 58.700 59.008 -0.308 1
1 897 . 8 1 1 A 82 82 TYR CB C 82 41.500 40.127 1.373 1
1 902 . 8 1 1 A 82 82 TYR N N 82 114.000 115.378 -1.378 1
1 903 . 8 1 1 A 83 83 ALA H H 83 8.430 7.393 1.037 1
1 904 . 8 1 1 A 83 83 ALA HA H 83 4.380 4.649 -0.269 1
1 908 . 8 1 1 A 83 83 ALA C C 83 173.400 177.080 -3.680 1
1 909 . 8 1 1 A 83 83 ALA CA C 83 51.000 50.460 0.540 1
1 910 . 8 1 1 A 83 83 ALA CB C 83 19.500 21.741 -2.241 1
1 911 . 8 1 1 A 83 83 ALA N N 83 122.900 122.304 0.596 1
1 912 . 8 1 1 A 84 84 ASN H H 84 8.050 8.600 -0.550 1
1 913 . 8 1 1 A 84 84 ASN HA H 84 4.760 5.021 -0.261 1
1 918 . 8 1 1 A 84 84 ASN C C 84 174.600 173.641 0.959 1
1 919 . 8 1 1 A 84 84 ASN CA C 84 52.200 52.570 -0.370 1
1 920 . 8 1 1 A 84 84 ASN CB C 84 39.300 39.757 -0.457 1
1 922 . 8 1 1 A 84 84 ASN N N 84 117.300 121.298 -3.998 1
1 924 . 8 1 1 A 85 85 SER H H 85 7.180 7.738 -0.558 1
1 925 . 8 1 1 A 85 85 SER HA H 85 4.670 4.971 -0.301 1
1 928 . 8 1 1 A 85 85 SER C C 85 172.000 171.510 0.490 1
1 929 . 8 1 1 A 85 85 SER CA C 85 56.900 57.793 -0.893 1
1 930 . 8 1 1 A 85 85 SER CB C 85 66.000 67.159 -1.159 1
1 931 . 8 1 1 A 85 85 SER N N 85 112.200 114.393 -2.193 1
1 932 . 8 1 1 A 86 86 ASP H H 86 8.320 8.853 -0.533 1
1 933 . 8 1 1 A 86 86 ASP HA H 86 4.920 4.935 -0.015 1
1 936 . 8 1 1 A 86 86 ASP C C 86 178.100 176.831 1.269 1
1 937 . 8 1 1 A 86 86 ASP CA C 86 55.000 53.821 1.179 1
1 938 . 8 1 1 A 86 86 ASP CB C 86 42.000 42.053 -0.053 1
1 939 . 8 1 1 A 86 86 ASP N N 86 119.100 125.275 -6.175 1
1 940 . 8 1 1 A 87 87 GLY H H 87 8.910 8.582 0.328 1
1 941 . 8 1 1 A 87 87 GLY HA2 H 87 3.850 4.026 -0.176 1
1 942 . 8 1 1 A 87 87 GLY HA3 H 87 4.110 4.034 0.076 1
1 943 . 8 1 1 A 87 87 GLY C C 87 175.400 174.797 0.603 1
1 944 . 8 1 1 A 87 87 GLY CA C 87 46.100 44.952 1.148 1
1 945 . 8 1 1 A 87 87 GLY N N 87 107.900 113.916 -6.016 1
1 946 . 8 1 1 A 88 88 LEU H H 88 8.290 7.880 0.410 1
1 947 . 8 1 1 A 88 88 LEU HA H 88 4.740 4.378 0.362 1
1 957 . 8 1 1 A 88 88 LEU C C 88 175.000 176.115 -1.115 1
1 958 . 8 1 1 A 88 88 LEU CA C 88 54.500 54.868 -0.368 1
1 959 . 8 1 1 A 88 88 LEU CB C 88 43.200 42.371 0.829 1
1 963 . 8 1 1 A 88 88 LEU N N 88 120.300 122.703 -2.403 1
1 964 . 8 1 1 A 89 89 ARG H H 89 8.880 8.504 0.376 1
1 965 . 8 1 1 A 89 89 ARG HA H 89 5.300 5.050 0.250 1
1 973 . 8 1 1 A 89 89 ARG C C 89 174.900 174.605 0.295 1
1 974 . 8 1 1 A 89 89 ARG CA C 89 53.600 54.716 -1.116 1
1 975 . 8 1 1 A 89 89 ARG CB C 89 34.300 33.495 0.805 1
1 979 . 8 1 1 A 89 89 ARG N N 89 121.200 123.358 -2.158 1
1 981 . 8 1 1 A 90 90 LEU H H 90 9.250 9.230 0.020 1
1 982 . 8 1 1 A 90 90 LEU HA H 90 5.270 5.289 -0.019 1
1 992 . 8 1 1 A 90 90 LEU C C 90 173.700 175.138 -1.438 1
1 993 . 8 1 1 A 90 90 LEU CA C 90 52.900 53.611 -0.711 1
1 994 . 8 1 1 A 90 90 LEU CB C 90 42.000 43.745 -1.745 1
1 998 . 8 1 1 A 90 90 LEU N N 90 125.500 128.861 -3.361 1
1 999 . 8 1 1 A 91 91 HIS H H 91 9.600 8.714 0.886 1
1 1000 . 8 1 1 A 91 91 HIS HA H 91 5.280 5.489 -0.209 1
1 1005 . 8 1 1 A 91 91 HIS C C 91 174.300 173.223 1.077 1
1 1006 . 8 1 1 A 91 91 HIS CA C 91 54.500 53.706 0.794 1
1 1007 . 8 1 1 A 91 91 HIS CB C 91 35.200 32.792 2.408 1
1 1010 . 8 1 1 A 91 91 HIS N N 91 124.800 124.773 0.027 1
1 1013 . 8 1 1 A 92 92 VAL H H 92 8.300 8.689 -0.389 1
1 1014 . 8 1 1 A 92 92 VAL HA H 92 4.110 4.683 -0.573 1
1 1022 . 8 1 1 A 92 92 VAL C C 92 174.200 174.556 -0.356 1
1 1023 . 8 1 1 A 92 92 VAL CA C 92 62.900 61.211 1.689 1
1 1024 . 8 1 1 A 92 92 VAL CB C 92 32.600 33.364 -0.764 1
1 1027 . 8 1 1 A 92 92 VAL N N 92 128.400 126.566 1.834 1
1 1028 . 8 1 1 A 93 93 VAL H H 93 8.950 8.831 0.119 1
1 1029 . 8 1 1 A 93 93 VAL HA H 93 4.170 4.538 -0.368 1
1 1037 . 8 1 1 A 93 93 VAL C C 93 175.600 174.494 1.106 1
1 1038 . 8 1 1 A 93 93 VAL CA C 93 61.100 61.275 -0.175 1
1 1039 . 8 1 1 A 93 93 VAL CB C 93 33.300 32.812 0.488 1
1 1042 . 8 1 1 A 93 93 VAL N N 93 127.800 128.339 -0.539 1
1 1043 . 8 1 1 A 94 94 ASP H H 94 8.280 8.990 -0.710 1
1 1044 . 8 1 1 A 94 94 ASP HA H 94 4.850 5.154 -0.304 1
1 1047 . 8 1 1 A 94 94 ASP C C 94 174.700 175.296 -0.596 1
1 1048 . 8 1 1 A 94 94 ASP CA C 94 53.800 53.460 0.340 1
1 1049 . 8 1 1 A 94 94 ASP CB C 94 42.500 41.382 1.118 1
1 1050 . 8 1 1 A 94 94 ASP N N 94 127.100 128.639 -1.539 1
1 1 . 9 1 1 A 11 11 GLY C C 11 174.100 175.157 -1.057 1
1 2 . 9 1 1 A 11 11 GLY CA C 11 45.300 45.072 0.228 1
1 3 . 9 1 1 A 12 12 LYS H H 12 8.180 8.356 -0.176 1
1 4 . 9 1 1 A 12 12 LYS HA H 12 4.320 3.886 0.434 1
1 13 . 9 1 1 A 12 12 LYS C C 12 176.700 176.708 -0.008 1
1 14 . 9 1 1 A 12 12 LYS CA C 12 56.400 58.411 -2.011 1
1 15 . 9 1 1 A 12 12 LYS CB C 12 33.200 31.330 1.870 1
1 19 . 9 1 1 A 12 12 LYS N N 12 120.600 120.627 -0.027 1
1 20 . 9 1 1 A 13 13 SER H H 13 8.360 8.346 0.014 1
1 21 . 9 1 1 A 13 13 SER HA H 13 4.450 4.171 0.279 1
1 24 . 9 1 1 A 13 13 SER C C 13 173.800 174.102 -0.302 1
1 25 . 9 1 1 A 13 13 SER CA C 13 58.000 58.977 -0.977 1
1 26 . 9 1 1 A 13 13 SER CB C 13 63.900 61.005 2.895 1
1 27 . 9 1 1 A 13 13 SER N N 13 116.300 114.880 1.420 1
1 28 . 9 1 1 A 14 14 ASP H H 14 8.450 7.467 0.983 1
1 29 . 9 1 1 A 14 14 ASP HA H 14 4.670 4.484 0.186 1
1 32 . 9 1 1 A 14 14 ASP C C 14 175.100 175.140 -0.040 1
1 33 . 9 1 1 A 14 14 ASP CA C 14 54.400 54.436 -0.036 1
1 34 . 9 1 1 A 14 14 ASP CB C 14 41.500 40.814 0.686 1
1 35 . 9 1 1 A 14 14 ASP N N 14 122.400 117.897 4.503 1
1 36 . 9 1 1 A 15 15 PHE H H 15 8.110 7.099 1.011 1
1 37 . 9 1 1 A 15 15 PHE HA H 15 5.290 5.207 0.083 1
1 45 . 9 1 1 A 15 15 PHE C C 15 175.000 175.216 -0.216 1
1 46 . 9 1 1 A 15 15 PHE CA C 15 56.600 56.673 -0.073 1
1 47 . 9 1 1 A 15 15 PHE CB C 15 42.600 41.952 0.648 1
1 53 . 9 1 1 A 15 15 PHE N N 15 118.500 118.682 -0.182 1
1 54 . 9 1 1 A 16 16 ILE H H 16 9.160 8.620 0.540 1
1 55 . 9 1 1 A 16 16 ILE HA H 16 4.710 5.010 -0.300 1
1 65 . 9 1 1 A 16 16 ILE C C 16 173.400 174.331 -0.931 1
1 66 . 9 1 1 A 16 16 ILE CA C 16 59.300 59.238 0.062 1
1 67 . 9 1 1 A 16 16 ILE CB C 16 42.100 42.016 0.084 1
1 71 . 9 1 1 A 16 16 ILE N N 16 116.700 116.576 0.124 1
1 72 . 9 1 1 A 17 17 LYS H H 17 8.530 8.420 0.110 1
1 73 . 9 1 1 A 17 17 LYS HA H 17 5.220 4.986 0.234 1
1 82 . 9 1 1 A 17 17 LYS C C 17 176.400 175.806 0.594 1
1 83 . 9 1 1 A 17 17 LYS CA C 17 54.900 55.932 -1.032 1
1 84 . 9 1 1 A 17 17 LYS CB C 17 34.100 33.403 0.697 1
1 88 . 9 1 1 A 17 17 LYS N N 17 123.200 123.202 -0.002 1
1 89 . 9 1 1 A 18 18 VAL H H 18 8.900 8.903 -0.003 1
1 90 . 9 1 1 A 18 18 VAL HA H 18 4.990 4.968 0.022 1
1 98 . 9 1 1 A 18 18 VAL C C 18 174.300 174.520 -0.220 1
1 99 . 9 1 1 A 18 18 VAL CA C 18 58.600 58.699 -0.099 1
1 100 . 9 1 1 A 18 18 VAL CB C 18 35.600 36.033 -0.433 1
1 103 . 9 1 1 A 18 18 VAL N N 18 117.500 117.809 -0.309 1
1 104 . 9 1 1 A 19 19 ASN H H 19 7.830 8.426 -0.596 1
1 105 . 9 1 1 A 19 19 ASN HA H 19 5.780 5.306 0.474 1
1 110 . 9 1 1 A 19 19 ASN C C 19 175.300 174.548 0.752 1
1 111 . 9 1 1 A 19 19 ASN CA C 19 51.000 52.337 -1.337 1
1 112 . 9 1 1 A 19 19 ASN CB C 19 39.500 40.606 -1.106 1
1 114 . 9 1 1 A 19 19 ASN N N 19 117.700 119.070 -1.370 1
1 116 . 9 1 1 A 20 20 VAL H H 20 9.140 8.146 0.994 1
1 117 . 9 1 1 A 20 20 VAL HA H 20 5.480 5.025 0.455 1
1 125 . 9 1 1 A 20 20 VAL C C 20 174.900 174.995 -0.095 1
1 126 . 9 1 1 A 20 20 VAL CA C 20 61.100 60.512 0.588 1
1 127 . 9 1 1 A 20 20 VAL CB C 20 35.000 34.538 0.462 1
1 130 . 9 1 1 A 20 20 VAL N N 20 120.600 123.685 -3.085 1
1 131 . 9 1 1 A 21 21 SER H H 21 9.700 8.792 0.908 1
1 132 . 9 1 1 A 21 21 SER HA H 21 4.930 5.255 -0.325 1
1 135 . 9 1 1 A 21 21 SER C C 21 172.900 173.571 -0.671 1
1 136 . 9 1 1 A 21 21 SER CA C 21 57.300 56.430 0.870 1
1 137 . 9 1 1 A 21 21 SER CB C 21 66.900 66.724 0.176 1
1 138 . 9 1 1 A 21 21 SER N N 21 125.600 120.694 4.906 1
1 139 . 9 1 1 A 22 22 ASN H H 22 9.800 8.561 1.239 1
1 140 . 9 1 1 A 22 22 ASN HA H 22 5.240 5.232 0.008 1
1 145 . 9 1 1 A 22 22 ASN C C 22 174.200 173.809 0.391 1
1 146 . 9 1 1 A 22 22 ASN CA C 22 53.500 51.825 1.675 1
1 147 . 9 1 1 A 22 22 ASN CB C 22 43.000 42.056 0.944 1
1 149 . 9 1 1 A 22 22 ASN N N 22 116.100 119.889 -3.789 1
1 151 . 9 1 1 A 23 23 SER H H 23 8.200 8.343 -0.143 1
1 152 . 9 1 1 A 23 23 SER HA H 23 4.370 4.420 -0.050 1
1 155 . 9 1 1 A 23 23 SER CA C 23 59.700 57.556 2.144 1
1 156 . 9 1 1 A 23 23 SER CB C 23 64.500 63.346 1.154 1
1 157 . 9 1 1 A 23 23 SER N N 23 111.800 118.819 -7.019 1
1 158 . 9 1 1 A 24 24 HIS H H 24 9.070 8.268 0.802 1
1 159 . 9 1 1 A 24 24 HIS HA H 24 4.790 4.109 0.681 1
1 164 . 9 1 1 A 24 24 HIS C C 24 175.100 175.291 -0.191 1
1 165 . 9 1 1 A 24 24 HIS CA C 24 57.000 59.916 -2.916 1
1 166 . 9 1 1 A 24 24 HIS CB C 24 31.300 27.575 3.725 1
1 169 . 9 1 1 A 24 24 HIS N N 24 121.900 119.638 2.262 1
1 171 . 9 1 1 A 25 25 ASN H H 25 8.420 8.971 -0.551 1
1 172 . 9 1 1 A 25 25 ASN HA H 25 4.710 4.791 -0.081 1
1 177 . 9 1 1 A 25 25 ASN C C 25 173.900 174.196 -0.296 1
1 178 . 9 1 1 A 25 25 ASN CA C 25 52.800 52.943 -0.143 1
1 179 . 9 1 1 A 25 25 ASN CB C 25 39.500 38.869 0.631 1
1 181 . 9 1 1 A 25 25 ASN N N 25 119.300 116.462 2.838 1
1 183 . 9 1 1 A 26 26 ASP H H 26 8.130 7.979 0.151 1
1 184 . 9 1 1 A 26 26 ASP HA H 26 4.660 4.250 0.410 1
1 187 . 9 1 1 A 26 26 ASP C C 26 176.300 174.914 1.386 1
1 188 . 9 1 1 A 26 26 ASP CA C 26 53.600 55.520 -1.920 1
1 189 . 9 1 1 A 26 26 ASP CB C 26 40.900 39.373 1.527 1
1 190 . 9 1 1 A 26 26 ASP N N 26 115.800 117.930 -2.130 1
1 191 . 9 1 1 A 27 27 ALA H H 27 8.330 7.690 0.640 1
1 192 . 9 1 1 A 27 27 ALA HA H 27 4.210 4.499 -0.289 1
1 196 . 9 1 1 A 27 27 ALA C C 27 178.500 176.836 1.664 1
1 197 . 9 1 1 A 27 27 ALA CA C 27 53.100 51.304 1.796 1
1 198 . 9 1 1 A 27 27 ALA CB C 27 19.200 20.032 -0.832 1
1 199 . 9 1 1 A 27 27 ALA N N 27 124.500 121.172 3.328 1
1 200 . 9 1 1 A 28 28 VAL H H 28 8.310 8.521 -0.211 1
1 201 . 9 1 1 A 28 28 VAL HA H 28 4.360 4.803 -0.443 1
1 209 . 9 1 1 A 28 28 VAL CA C 28 61.000 60.142 0.858 1
1 210 . 9 1 1 A 28 28 VAL CB C 28 35.000 34.669 0.331 1
1 213 . 9 1 1 A 28 28 VAL N N 28 124.500 122.825 1.675 1
1 214 . 9 1 1 A 29 29 ALA H H 29 8.460 8.767 -0.307 1
1 215 . 9 1 1 A 29 29 ALA HA H 29 4.590 5.357 -0.767 1
1 219 . 9 1 1 A 29 29 ALA C C 29 175.800 175.718 0.082 1
1 220 . 9 1 1 A 29 29 ALA CA C 29 50.400 49.669 0.731 1
1 221 . 9 1 1 A 29 29 ALA CB C 29 20.100 22.246 -2.146 1
1 222 . 9 1 1 A 30 30 PHE H H 30 8.640 8.813 -0.173 1
1 223 . 9 1 1 A 30 30 PHE HA H 30 4.870 4.848 0.022 1
1 231 . 9 1 1 A 30 30 PHE C C 30 175.800 175.528 0.272 1
1 232 . 9 1 1 A 30 30 PHE CA C 30 57.300 56.690 0.610 1
1 233 . 9 1 1 A 30 30 PHE CB C 30 41.600 41.094 0.506 1
1 239 . 9 1 1 A 30 30 PHE N N 30 122.100 120.196 1.904 1
1 240 . 9 1 1 A 31 31 GLU H H 31 8.670 8.987 -0.317 1
1 241 . 9 1 1 A 31 31 GLU HA H 31 3.530 3.839 -0.309 1
1 246 . 9 1 1 A 31 31 GLU C C 31 174.700 175.054 -0.354 1
1 247 . 9 1 1 A 31 31 GLU CA C 31 57.200 57.298 -0.098 1
1 248 . 9 1 1 A 31 31 GLU CB C 31 27.600 28.185 -0.585 1
1 250 . 9 1 1 A 31 31 GLU N N 31 118.900 118.805 0.095 1
1 251 . 9 1 1 A 32 32 VAL H H 32 9.100 7.571 1.529 1
1 252 . 9 1 1 A 32 32 VAL HA H 32 3.770 4.542 -0.772 1
1 260 . 9 1 1 A 32 32 VAL C C 32 175.400 175.153 0.247 1
1 261 . 9 1 1 A 32 32 VAL CA C 32 62.900 61.166 1.734 1
1 262 . 9 1 1 A 32 32 VAL CB C 32 32.200 32.482 -0.282 1
1 265 . 9 1 1 A 32 32 VAL N N 32 122.300 118.298 4.002 1
1 266 . 9 1 1 A 33 33 LYS H H 33 8.330 8.615 -0.285 1
1 267 . 9 1 1 A 33 33 LYS HA H 33 4.980 4.766 0.214 1
1 276 . 9 1 1 A 33 33 LYS C C 33 176.300 175.637 0.663 1
1 277 . 9 1 1 A 33 33 LYS CA C 33 55.700 56.372 -0.672 1
1 278 . 9 1 1 A 33 33 LYS CB C 33 33.500 32.742 0.758 1
1 282 . 9 1 1 A 33 33 LYS N N 33 128.300 127.893 0.407 1
1 283 . 9 1 1 A 34 34 LEU H H 34 9.140 8.241 0.899 1
1 284 . 9 1 1 A 34 34 LEU HA H 34 4.750 4.930 -0.180 1
1 294 . 9 1 1 A 34 34 LEU C C 34 175.000 176.270 -1.270 1
1 295 . 9 1 1 A 34 34 LEU CA C 34 52.900 53.711 -0.811 1
1 296 . 9 1 1 A 34 34 LEU CB C 34 46.700 46.018 0.682 1
1 300 . 9 1 1 A 34 34 LEU N N 34 126.700 126.117 0.583 1
1 301 . 9 1 1 A 35 35 ALA H H 35 8.650 8.936 -0.286 1
1 302 . 9 1 1 A 35 35 ALA HA H 35 4.100 4.776 -0.676 1
1 306 . 9 1 1 A 35 35 ALA C C 35 178.000 179.039 -1.039 1
1 307 . 9 1 1 A 35 35 ALA CA C 35 52.300 52.937 -0.637 1
1 308 . 9 1 1 A 35 35 ALA CB C 35 19.100 19.205 -0.105 1
1 309 . 9 1 1 A 35 35 ALA N N 35 126.600 127.426 -0.826 1
1 310 . 9 1 1 A 36 36 LYS H H 36 8.230 8.372 -0.142 1
1 311 . 9 1 1 A 36 36 LYS HA H 36 3.710 4.096 -0.386 1
1 320 . 9 1 1 A 36 36 LYS C C 36 176.000 176.668 -0.668 1
1 321 . 9 1 1 A 36 36 LYS CA C 36 59.800 58.395 1.405 1
1 322 . 9 1 1 A 36 36 LYS CB C 36 33.200 32.068 1.132 1
1 326 . 9 1 1 A 36 36 LYS N N 36 119.200 122.365 -3.165 1
1 327 . 9 1 1 A 37 37 ASP H H 37 8.060 8.014 0.046 1
1 328 . 9 1 1 A 37 37 ASP HA H 37 4.470 4.537 -0.067 1
1 331 . 9 1 1 A 37 37 ASP C C 37 176.800 176.458 0.342 1
1 332 . 9 1 1 A 37 37 ASP CA C 37 53.000 54.340 -1.340 1
1 333 . 9 1 1 A 37 37 ASP CB C 37 39.700 40.050 -0.350 1
1 334 . 9 1 1 A 37 37 ASP N N 37 112.700 117.579 -4.879 1
1 335 . 9 1 1 A 38 38 LEU H H 38 7.170 7.077 0.093 1
1 336 . 9 1 1 A 38 38 LEU HA H 38 4.280 4.324 -0.044 1
1 346 . 9 1 1 A 38 38 LEU C C 38 177.600 177.276 0.324 1
1 347 . 9 1 1 A 38 38 LEU CA C 38 55.800 54.671 1.129 1
1 348 . 9 1 1 A 38 38 LEU CB C 38 43.900 42.549 1.351 1
1 352 . 9 1 1 A 38 38 LEU N N 38 122.100 122.450 -0.350 1
1 353 . 9 1 1 A 39 39 THR H H 39 8.430 8.634 -0.204 1
1 354 . 9 1 1 A 39 39 THR HA H 39 5.010 4.704 0.306 1
1 360 . 9 1 1 A 39 39 THR C C 39 176.500 176.032 0.468 1
1 361 . 9 1 1 A 39 39 THR CA C 39 60.900 60.555 0.345 1
1 362 . 9 1 1 A 39 39 THR CB C 39 71.200 71.342 -0.142 1
1 364 . 9 1 1 A 39 39 THR N N 39 112.800 114.807 -2.007 1
1 365 . 9 1 1 A 40 40 VAL H H 40 8.740 8.413 0.327 1
1 366 . 9 1 1 A 40 40 VAL HA H 40 3.530 3.687 -0.157 1
1 374 . 9 1 1 A 40 40 VAL C C 40 178.200 177.435 0.765 1
1 375 . 9 1 1 A 40 40 VAL CA C 40 67.300 66.878 0.422 1
1 376 . 9 1 1 A 40 40 VAL CB C 40 31.600 31.718 -0.118 1
1 379 . 9 1 1 A 40 40 VAL N N 40 123.600 122.096 1.504 1
1 380 . 9 1 1 A 41 41 ALA H H 41 8.520 8.371 0.149 1
1 381 . 9 1 1 A 41 41 ALA HA H 41 3.950 3.964 -0.014 1
1 385 . 9 1 1 A 41 41 ALA C C 41 180.700 180.166 0.534 1
1 386 . 9 1 1 A 41 41 ALA CA C 41 56.100 55.897 0.203 1
1 387 . 9 1 1 A 41 41 ALA CB C 41 18.800 18.282 0.518 1
1 388 . 9 1 1 A 41 41 ALA N N 41 121.400 122.507 -1.107 1
1 389 . 9 1 1 A 42 42 GLN H H 42 7.740 8.845 -1.105 1
1 390 . 9 1 1 A 42 42 GLN HA H 42 4.060 4.031 0.029 1
1 397 . 9 1 1 A 42 42 GLN C C 42 180.300 178.635 1.665 1
1 398 . 9 1 1 A 42 42 GLN CA C 42 58.600 58.842 -0.242 1
1 399 . 9 1 1 A 42 42 GLN CB C 42 29.200 28.492 0.708 1
1 402 . 9 1 1 A 42 42 GLN N N 42 117.500 116.923 0.577 1
1 404 . 9 1 1 A 43 43 LEU H H 43 9.210 8.221 0.989 1
1 405 . 9 1 1 A 43 43 LEU HA H 43 3.940 4.108 -0.168 1
1 415 . 9 1 1 A 43 43 LEU C C 43 178.300 178.675 -0.375 1
1 416 . 9 1 1 A 43 43 LEU CA C 43 57.900 57.909 -0.009 1
1 417 . 9 1 1 A 43 43 LEU CB C 43 41.300 41.816 -0.516 1
1 421 . 9 1 1 A 43 43 LEU N N 43 123.000 121.397 1.603 1
1 422 . 9 1 1 A 44 44 LYS H H 44 8.740 8.664 0.076 1
1 423 . 9 1 1 A 44 44 LYS HA H 44 3.860 3.954 -0.094 1
1 432 . 9 1 1 A 44 44 LYS C C 44 178.300 179.168 -0.868 1
1 433 . 9 1 1 A 44 44 LYS CA C 44 61.100 59.412 1.688 1
1 434 . 9 1 1 A 44 44 LYS CB C 44 32.800 32.274 0.526 1
1 438 . 9 1 1 A 44 44 LYS N N 44 119.300 118.772 0.528 1
1 439 . 9 1 1 A 45 45 THR H H 45 7.440 7.912 -0.472 1
1 440 . 9 1 1 A 45 45 THR HA H 45 3.930 3.883 0.047 1
1 445 . 9 1 1 A 45 45 THR C C 45 176.700 176.030 0.670 1
1 446 . 9 1 1 A 45 45 THR CA C 45 67.100 67.263 -0.163 1
1 447 . 9 1 1 A 45 45 THR CB C 45 68.800 68.317 0.483 1
1 449 . 9 1 1 A 45 45 THR N N 45 114.000 118.063 -4.063 1
1 450 . 9 1 1 A 46 46 LYS H H 46 7.500 8.313 -0.813 1
1 451 . 9 1 1 A 46 46 LYS HA H 46 4.100 4.035 0.065 1
1 460 . 9 1 1 A 46 46 LYS C C 46 179.700 179.058 0.642 1
1 461 . 9 1 1 A 46 46 LYS CA C 46 59.400 59.483 -0.083 1
1 462 . 9 1 1 A 46 46 LYS CB C 46 32.100 31.756 0.344 1
1 466 . 9 1 1 A 46 46 LYS N N 46 121.700 121.613 0.087 1
1 467 . 9 1 1 A 47 47 LEU H H 47 9.010 8.776 0.234 1
1 468 . 9 1 1 A 47 47 LEU HA H 47 4.040 3.945 0.095 1
1 478 . 9 1 1 A 47 47 LEU C C 47 180.000 179.239 0.761 1
1 479 . 9 1 1 A 47 47 LEU CA C 47 57.200 58.035 -0.835 1
1 480 . 9 1 1 A 47 47 LEU CB C 47 40.700 41.004 -0.304 1
1 484 . 9 1 1 A 47 47 LEU N N 47 118.000 119.413 -1.413 1
1 485 . 9 1 1 A 48 48 GLU H H 48 8.450 8.713 -0.263 1
1 486 . 9 1 1 A 48 48 GLU HA H 48 4.050 4.126 -0.076 1
1 491 . 9 1 1 A 48 48 GLU C C 48 178.800 179.268 -0.468 1
1 492 . 9 1 1 A 48 48 GLU CA C 48 59.700 59.511 0.189 1
1 493 . 9 1 1 A 48 48 GLU CB C 48 29.400 29.465 -0.065 1
1 495 . 9 1 1 A 48 48 GLU N N 48 126.300 120.209 6.091 1
1 496 . 9 1 1 A 49 49 ILE H H 49 7.180 7.449 -0.269 1
1 497 . 9 1 1 A 49 49 ILE HA H 49 3.780 3.654 0.126 1
1 507 . 9 1 1 A 49 49 ILE C C 49 178.000 178.324 -0.324 1
1 508 . 9 1 1 A 49 49 ILE CA C 49 64.000 65.597 -1.597 1
1 509 . 9 1 1 A 49 49 ILE CB C 49 38.100 37.692 0.408 1
1 513 . 9 1 1 A 49 49 ILE N N 49 119.600 120.562 -0.962 1
1 514 . 9 1 1 A 50 50 LEU H H 50 7.520 7.943 -0.423 1
1 515 . 9 1 1 A 50 50 LEU HA H 50 4.160 3.958 0.202 1
1 525 . 9 1 1 A 50 50 LEU C C 50 178.400 178.676 -0.276 1
1 526 . 9 1 1 A 50 50 LEU CA C 50 57.500 58.099 -0.599 1
1 527 . 9 1 1 A 50 50 LEU CB C 50 44.300 41.685 2.615 1
1 531 . 9 1 1 A 50 50 LEU N N 50 116.800 121.376 -4.576 1
1 532 . 9 1 1 A 51 51 THR H H 51 8.160 8.619 -0.459 1
1 533 . 9 1 1 A 51 51 THR HA H 51 4.490 4.442 0.048 1
1 538 . 9 1 1 A 51 51 THR C C 51 175.600 175.949 -0.349 1
1 539 . 9 1 1 A 51 51 THR CA C 51 62.400 62.283 0.117 1
1 540 . 9 1 1 A 51 51 THR CB C 51 72.900 70.577 2.323 1
1 542 . 9 1 1 A 51 51 THR N N 51 104.100 107.221 -3.121 1
1 543 . 9 1 1 A 52 52 GLY H H 52 8.080 8.601 -0.521 1
1 544 . 9 1 1 A 52 52 GLY HA2 H 52 3.830 3.904 -0.074 1
1 545 . 9 1 1 A 52 52 GLY HA3 H 52 4.250 3.905 0.345 1
1 546 . 9 1 1 A 52 52 GLY C C 52 174.800 174.637 0.163 1
1 547 . 9 1 1 A 52 52 GLY CA C 52 45.500 46.187 -0.687 1
1 548 . 9 1 1 A 52 52 GLY N N 52 112.100 111.907 0.193 1
1 549 . 9 1 1 A 53 53 GLY H H 53 7.880 7.732 0.148 1
1 550 . 9 1 1 A 53 53 GLY HA2 H 53 3.220 4.008 -0.788 1
1 551 . 9 1 1 A 53 53 GLY HA3 H 53 4.040 4.010 0.030 1
1 552 . 9 1 1 A 53 53 GLY C C 53 170.900 172.557 -1.657 1
1 553 . 9 1 1 A 53 53 GLY CA C 53 44.300 44.030 0.270 1
1 554 . 9 1 1 A 53 53 GLY N N 53 107.000 107.964 -0.964 1
1 555 . 9 1 1 A 54 54 CYS H H 54 8.690 8.418 0.272 1
1 556 . 9 1 1 A 54 54 CYS HA H 54 4.430 5.135 -0.705 1
1 559 . 9 1 1 A 54 54 CYS C C 54 176.100 175.866 0.234 1
1 560 . 9 1 1 A 54 54 CYS CA C 54 57.900 57.422 0.478 1
1 561 . 9 1 1 A 54 54 CYS CB C 54 27.800 30.338 -2.538 1
1 562 . 9 1 1 A 54 54 CYS N N 54 120.200 120.134 0.066 1
1 563 . 9 1 1 A 55 55 ALA H H 55 10.100 9.094 1.006 1
1 564 . 9 1 1 A 55 55 ALA HA H 55 3.890 3.930 -0.040 1
1 568 . 9 1 1 A 55 55 ALA C C 55 178.900 179.626 -0.726 1
1 569 . 9 1 1 A 55 55 ALA CA C 55 55.700 55.110 0.590 1
1 570 . 9 1 1 A 55 55 ALA CB C 55 18.500 18.453 0.047 1
1 571 . 9 1 1 A 55 55 ALA N N 55 133.900 130.112 3.788 1
1 572 . 9 1 1 A 56 56 GLY H H 56 8.380 8.378 0.002 1
1 573 . 9 1 1 A 56 56 GLY HA2 H 56 3.910 3.739 0.171 1
1 574 . 9 1 1 A 56 56 GLY HA3 H 56 3.910 3.739 0.171 1
1 575 . 9 1 1 A 56 56 GLY C C 56 174.600 175.161 -0.561 1
1 576 . 9 1 1 A 56 56 GLY CA C 56 45.900 47.094 -1.194 1
1 577 . 9 1 1 A 56 56 GLY N N 56 104.300 105.625 -1.325 1
1 578 . 9 1 1 A 57 57 THR H H 57 7.310 7.535 -0.225 1
1 579 . 9 1 1 A 57 57 THR HA H 57 4.520 4.408 0.112 1
1 584 . 9 1 1 A 57 57 THR C C 57 175.500 174.470 1.030 1
1 585 . 9 1 1 A 57 57 THR CA C 57 61.400 62.160 -0.760 1
1 586 . 9 1 1 A 57 57 THR CB C 57 69.900 69.323 0.577 1
1 588 . 9 1 1 A 57 57 THR N N 57 107.700 110.675 -2.975 1
1 589 . 9 1 1 A 58 58 MET H H 58 7.910 7.442 0.468 1
1 590 . 9 1 1 A 58 58 MET HA H 58 4.540 4.547 -0.007 1
1 598 . 9 1 1 A 58 58 MET C C 58 175.100 175.834 -0.734 1
1 599 . 9 1 1 A 58 58 MET CA C 58 56.900 55.432 1.468 1
1 600 . 9 1 1 A 58 58 MET CB C 58 33.700 33.639 0.061 1
1 603 . 9 1 1 A 58 58 MET N N 58 120.700 123.476 -2.776 1
1 604 . 9 1 1 A 59 59 LYS H H 59 8.780 8.474 0.306 1
1 605 . 9 1 1 A 59 59 LYS HA H 59 4.610 5.058 -0.448 1
1 614 . 9 1 1 A 59 59 LYS C C 59 174.500 174.999 -0.499 1
1 615 . 9 1 1 A 59 59 LYS CA C 59 54.500 54.765 -0.265 1
1 616 . 9 1 1 A 59 59 LYS CB C 59 34.700 35.379 -0.679 1
1 620 . 9 1 1 A 59 59 LYS N N 59 122.400 125.641 -3.241 1
1 621 . 9 1 1 A 60 60 VAL H H 60 8.740 8.831 -0.091 1
1 622 . 9 1 1 A 60 60 VAL HA H 60 4.700 4.871 -0.171 1
1 630 . 9 1 1 A 60 60 VAL C C 60 175.000 175.228 -0.228 1
1 631 . 9 1 1 A 60 60 VAL CA C 60 61.300 60.987 0.313 1
1 632 . 9 1 1 A 60 60 VAL CB C 60 33.400 33.961 -0.561 1
1 635 . 9 1 1 A 60 60 VAL N N 60 122.100 123.648 -1.548 1
1 636 . 9 1 1 A 61 61 GLN H H 61 9.250 8.664 0.586 1
1 637 . 9 1 1 A 61 61 GLN HA H 61 4.790 4.900 -0.110 1
1 644 . 9 1 1 A 61 61 GLN C C 61 174.700 174.531 0.169 1
1 645 . 9 1 1 A 61 61 GLN CA C 61 54.200 54.162 0.038 1
1 646 . 9 1 1 A 61 61 GLN CB C 61 32.800 31.684 1.116 1
1 649 . 9 1 1 A 61 61 GLN N N 61 126.400 125.975 0.425 1
1 651 . 9 1 1 A 62 62 VAL H H 62 8.690 8.270 0.420 1
1 652 . 9 1 1 A 62 62 VAL HA H 62 4.650 4.506 0.144 1
1 660 . 9 1 1 A 62 62 VAL C C 62 174.700 175.005 -0.305 1
1 661 . 9 1 1 A 62 62 VAL CA C 62 61.800 61.750 0.050 1
1 662 . 9 1 1 A 62 62 VAL CB C 62 32.500 31.991 0.509 1
1 665 . 9 1 1 A 62 62 VAL N N 62 121.700 124.150 -2.450 1
1 666 . 9 1 1 A 63 63 PHE H H 63 10.020 9.149 0.871 1
1 667 . 9 1 1 A 63 63 PHE HA H 63 5.170 5.222 -0.052 1
1 675 . 9 1 1 A 63 63 PHE C C 63 175.100 174.643 0.457 1
1 676 . 9 1 1 A 63 63 PHE CA C 63 56.800 55.850 0.950 1
1 677 . 9 1 1 A 63 63 PHE CB C 63 42.900 43.531 -0.631 1
1 683 . 9 1 1 A 63 63 PHE N N 63 127.100 126.085 1.015 1
1 684 . 9 1 1 A 64 64 LYS H H 64 8.710 8.442 0.268 1
1 685 . 9 1 1 A 64 64 LYS HA H 64 4.650 4.662 -0.012 1
1 694 . 9 1 1 A 64 64 LYS C C 64 176.900 176.509 0.391 1
1 695 . 9 1 1 A 64 64 LYS CA C 64 55.100 55.012 0.088 1
1 696 . 9 1 1 A 64 64 LYS CB C 64 34.100 33.429 0.671 1
1 700 . 9 1 1 A 64 64 LYS N N 64 123.900 123.866 0.034 1
1 701 . 9 1 1 A 65 65 GLY H H 65 9.160 8.965 0.195 1
1 702 . 9 1 1 A 65 65 GLY HA2 H 65 3.680 3.892 -0.212 1
1 703 . 9 1 1 A 65 65 GLY HA3 H 65 4.050 3.901 0.149 1
1 704 . 9 1 1 A 65 65 GLY C C 65 174.600 174.612 -0.012 1
1 705 . 9 1 1 A 65 65 GLY CA C 65 47.200 45.980 1.220 1
1 706 . 9 1 1 A 65 65 GLY N N 65 118.800 114.999 3.801 1
1 707 . 9 1 1 A 66 66 ASP H H 66 8.760 8.664 0.096 1
1 708 . 9 1 1 A 66 66 ASP HA H 66 4.700 4.736 -0.036 1
1 711 . 9 1 1 A 66 66 ASP C C 66 176.000 174.878 1.122 1
1 712 . 9 1 1 A 66 66 ASP CA C 66 54.300 54.113 0.187 1
1 713 . 9 1 1 A 66 66 ASP CB C 66 41.300 41.129 0.171 1
1 714 . 9 1 1 A 66 66 ASP N N 66 126.400 126.468 -0.068 1
1 715 . 9 1 1 A 67 67 THR H H 67 8.020 7.609 0.411 1
1 716 . 9 1 1 A 67 67 THR HA H 67 4.300 4.967 -0.667 1
1 721 . 9 1 1 A 67 67 THR C C 67 172.100 173.323 -1.223 1
1 722 . 9 1 1 A 67 67 THR CA C 67 62.400 61.467 0.933 1
1 723 . 9 1 1 A 67 67 THR CB C 67 70.700 71.497 -0.797 1
1 725 . 9 1 1 A 67 67 THR N N 67 117.500 115.332 2.168 1
1 726 . 9 1 1 A 68 68 CYS H H 68 8.940 8.742 0.198 1
1 727 . 9 1 1 A 68 68 CYS HA H 68 3.400 4.540 -1.140 1
1 730 . 9 1 1 A 68 68 CYS C C 68 174.900 175.812 -0.912 1
1 731 . 9 1 1 A 68 68 CYS CA C 68 58.700 59.016 -0.316 1
1 732 . 9 1 1 A 68 68 CYS CB C 68 25.600 28.165 -2.565 1
1 733 . 9 1 1 A 68 68 CYS N N 68 129.500 125.041 4.459 1
1 734 . 9 1 1 A 69 69 VAL H H 69 9.090 8.690 0.400 1
1 735 . 9 1 1 A 69 69 VAL HA H 69 4.150 3.865 0.285 1
1 743 . 9 1 1 A 69 69 VAL C C 69 176.300 176.123 0.177 1
1 744 . 9 1 1 A 69 69 VAL CA C 69 62.900 64.367 -1.467 1
1 745 . 9 1 1 A 69 69 VAL CB C 69 32.800 32.100 0.700 1
1 748 . 9 1 1 A 69 69 VAL N N 69 127.500 128.786 -1.286 1
1 749 . 9 1 1 A 70 70 SER H H 70 7.640 7.544 0.096 1
1 750 . 9 1 1 A 70 70 SER HA H 70 4.550 4.619 -0.069 1
1 753 . 9 1 1 A 70 70 SER C C 70 172.300 171.715 0.585 1
1 754 . 9 1 1 A 70 70 SER CA C 70 58.700 57.566 1.134 1
1 755 . 9 1 1 A 70 70 SER CB C 70 65.100 65.231 -0.131 1
1 756 . 9 1 1 A 70 70 SER N N 70 113.400 110.452 2.948 1
1 757 . 9 1 1 A 71 71 THR H H 71 8.220 8.406 -0.186 1
1 758 . 9 1 1 A 71 71 THR HA H 71 4.580 4.668 -0.088 1
1 763 . 9 1 1 A 71 71 THR C C 71 174.000 174.244 -0.244 1
1 764 . 9 1 1 A 71 71 THR CA C 71 61.800 61.159 0.641 1
1 765 . 9 1 1 A 71 71 THR CB C 71 70.500 70.997 -0.497 1
1 767 . 9 1 1 A 71 71 THR N N 71 114.500 115.806 -1.306 1
1 768 . 9 1 1 A 72 72 MET H H 72 8.260 8.845 -0.585 1
1 769 . 9 1 1 A 72 72 MET HA H 72 2.990 3.971 -0.981 1
1 777 . 9 1 1 A 72 72 MET C C 72 175.700 175.861 -0.161 1
1 778 . 9 1 1 A 72 72 MET CA C 72 55.100 54.045 1.055 1
1 779 . 9 1 1 A 72 72 MET CB C 72 30.200 30.919 -0.719 1
1 782 . 9 1 1 A 72 72 MET N N 72 121.800 125.612 -3.812 1
1 783 . 9 1 1 A 73 73 ASP H H 73 7.830 8.820 -0.990 1
1 784 . 9 1 1 A 73 73 ASP HA H 73 4.370 4.627 -0.257 1
1 787 . 9 1 1 A 73 73 ASP C C 73 175.100 175.751 -0.651 1
1 788 . 9 1 1 A 73 73 ASP CA C 73 55.800 55.585 0.215 1
1 789 . 9 1 1 A 73 73 ASP CB C 73 41.800 41.868 -0.068 1
1 790 . 9 1 1 A 73 73 ASP N N 73 125.100 125.973 -0.873 1
1 791 . 9 1 1 A 74 74 ASN H H 74 7.480 7.644 -0.164 1
1 792 . 9 1 1 A 74 74 ASN HA H 74 4.890 4.959 -0.069 1
1 797 . 9 1 1 A 74 74 ASN C C 74 175.800 176.022 -0.222 1
1 798 . 9 1 1 A 74 74 ASN CA C 74 51.600 52.835 -1.235 1
1 799 . 9 1 1 A 74 74 ASN CB C 74 38.800 38.544 0.256 1
1 801 . 9 1 1 A 74 74 ASN N N 74 116.400 116.777 -0.377 1
1 803 . 9 1 1 A 75 75 ASN H H 75 8.870 8.974 -0.104 1
1 804 . 9 1 1 A 75 75 ASN HA H 75 4.390 4.560 -0.170 1
1 809 . 9 1 1 A 75 75 ASN C C 75 175.700 175.461 0.239 1
1 810 . 9 1 1 A 75 75 ASN CA C 75 55.600 54.966 0.634 1
1 811 . 9 1 1 A 75 75 ASN CB C 75 39.200 37.314 1.886 1
1 813 . 9 1 1 A 75 75 ASN N N 75 123.600 123.166 0.434 1
1 815 . 9 1 1 A 76 76 ASP H H 76 8.060 8.316 -0.256 1
1 816 . 9 1 1 A 76 76 ASP HA H 76 4.750 4.634 0.116 1
1 819 . 9 1 1 A 76 76 ASP C C 76 176.200 176.143 0.057 1
1 820 . 9 1 1 A 76 76 ASP CA C 76 54.200 53.675 0.525 1
1 821 . 9 1 1 A 76 76 ASP CB C 76 41.700 40.049 1.651 1
1 822 . 9 1 1 A 76 76 ASP N N 76 115.100 117.234 -2.134 1
1 823 . 9 1 1 A 77 77 ALA H H 77 7.140 7.207 -0.067 1
1 824 . 9 1 1 A 77 77 ALA HA H 77 4.160 4.213 -0.053 1
1 828 . 9 1 1 A 77 77 ALA C C 77 176.100 177.311 -1.211 1
1 829 . 9 1 1 A 77 77 ALA CA C 77 51.400 51.960 -0.560 1
1 830 . 9 1 1 A 77 77 ALA CB C 77 20.100 19.727 0.373 1
1 831 . 9 1 1 A 77 77 ALA N N 77 122.600 123.500 -0.900 1
1 832 . 9 1 1 A 78 78 GLN H H 78 8.090 8.979 -0.889 1
1 833 . 9 1 1 A 78 78 GLN HA H 78 4.750 4.428 0.322 1
1 840 . 9 1 1 A 78 78 GLN C C 78 177.900 177.473 0.427 1
1 841 . 9 1 1 A 78 78 GLN CA C 78 55.200 55.253 -0.053 1
1 842 . 9 1 1 A 78 78 GLN CB C 78 29.500 29.547 -0.047 1
1 845 . 9 1 1 A 78 78 GLN N N 78 116.500 120.243 -3.743 1
1 847 . 9 1 1 A 79 79 LEU H H 79 9.380 9.423 -0.043 1
1 848 . 9 1 1 A 79 79 LEU HA H 79 4.060 4.179 -0.119 1
1 858 . 9 1 1 A 79 79 LEU C C 79 179.200 179.017 0.183 1
1 859 . 9 1 1 A 79 79 LEU CA C 79 58.900 58.052 0.848 1
1 860 . 9 1 1 A 79 79 LEU CB C 79 42.000 41.516 0.484 1
1 864 . 9 1 1 A 79 79 LEU N N 79 123.800 126.399 -2.599 1
1 865 . 9 1 1 A 80 80 GLY H H 80 9.130 8.207 0.923 1
1 866 . 9 1 1 A 80 80 GLY HA2 H 80 3.750 3.949 -0.199 1
1 867 . 9 1 1 A 80 80 GLY HA3 H 80 4.160 3.967 0.193 1
1 868 . 9 1 1 A 80 80 GLY C C 80 174.100 175.171 -1.071 1
1 869 . 9 1 1 A 80 80 GLY CA C 80 45.600 46.324 -0.724 1
1 870 . 9 1 1 A 80 80 GLY N N 80 104.000 106.309 -2.309 1
1 871 . 9 1 1 A 81 81 TYR H H 81 7.900 8.096 -0.196 1
1 872 . 9 1 1 A 81 81 TYR HA H 81 4.000 3.915 0.085 1
1 879 . 9 1 1 A 81 81 TYR C C 81 176.300 176.708 -0.408 1
1 880 . 9 1 1 A 81 81 TYR CA C 81 60.600 60.768 -0.168 1
1 881 . 9 1 1 A 81 81 TYR CB C 81 38.700 38.182 0.518 1
1 886 . 9 1 1 A 81 81 TYR N N 81 120.300 122.698 -2.398 1
1 887 . 9 1 1 A 82 82 TYR H H 82 7.430 7.370 0.060 1
1 888 . 9 1 1 A 82 82 TYR HA H 82 4.340 4.678 -0.338 1
1 895 . 9 1 1 A 82 82 TYR C C 82 175.500 176.751 -1.251 1
1 896 . 9 1 1 A 82 82 TYR CA C 82 58.700 58.981 -0.281 1
1 897 . 9 1 1 A 82 82 TYR CB C 82 41.500 40.347 1.153 1
1 902 . 9 1 1 A 82 82 TYR N N 82 114.000 114.535 -0.535 1
1 903 . 9 1 1 A 83 83 ALA H H 83 8.430 7.645 0.785 1
1 904 . 9 1 1 A 83 83 ALA HA H 83 4.380 4.494 -0.114 1
1 908 . 9 1 1 A 83 83 ALA C C 83 173.400 177.497 -4.097 1
1 909 . 9 1 1 A 83 83 ALA CA C 83 51.000 50.833 0.167 1
1 910 . 9 1 1 A 83 83 ALA CB C 83 19.500 17.884 1.616 1
1 911 . 9 1 1 A 83 83 ALA N N 83 122.900 121.104 1.796 1
1 912 . 9 1 1 A 84 84 ASN H H 84 8.050 8.907 -0.857 1
1 913 . 9 1 1 A 84 84 ASN HA H 84 4.760 4.896 -0.136 1
1 918 . 9 1 1 A 84 84 ASN C C 84 174.600 174.839 -0.239 1
1 919 . 9 1 1 A 84 84 ASN CA C 84 52.200 52.579 -0.379 1
1 920 . 9 1 1 A 84 84 ASN CB C 84 39.300 39.217 0.083 1
1 922 . 9 1 1 A 84 84 ASN N N 84 117.300 121.557 -4.257 1
1 924 . 9 1 1 A 85 85 SER H H 85 7.180 7.560 -0.380 1
1 925 . 9 1 1 A 85 85 SER HA H 85 4.670 4.801 -0.131 1
1 928 . 9 1 1 A 85 85 SER C C 85 172.000 172.125 -0.125 1
1 929 . 9 1 1 A 85 85 SER CA C 85 56.900 56.764 0.136 1
1 930 . 9 1 1 A 85 85 SER CB C 85 66.000 65.963 0.037 1
1 931 . 9 1 1 A 85 85 SER N N 85 112.200 113.625 -1.425 1
1 932 . 9 1 1 A 86 86 ASP H H 86 8.320 8.832 -0.512 1
1 933 . 9 1 1 A 86 86 ASP HA H 86 4.920 4.835 0.085 1
1 936 . 9 1 1 A 86 86 ASP C C 86 178.100 176.632 1.468 1
1 937 . 9 1 1 A 86 86 ASP CA C 86 55.000 53.611 1.389 1
1 938 . 9 1 1 A 86 86 ASP CB C 86 42.000 41.877 0.123 1
1 939 . 9 1 1 A 86 86 ASP N N 86 119.100 124.563 -5.463 1
1 940 . 9 1 1 A 87 87 GLY H H 87 8.910 8.586 0.324 1
1 941 . 9 1 1 A 87 87 GLY HA2 H 87 3.850 3.992 -0.142 1
1 942 . 9 1 1 A 87 87 GLY HA3 H 87 4.110 3.999 0.111 1
1 943 . 9 1 1 A 87 87 GLY C C 87 175.400 174.258 1.142 1
1 944 . 9 1 1 A 87 87 GLY CA C 87 46.100 45.209 0.891 1
1 945 . 9 1 1 A 87 87 GLY N N 87 107.900 110.330 -2.430 1
1 946 . 9 1 1 A 88 88 LEU H H 88 8.290 7.778 0.512 1
1 947 . 9 1 1 A 88 88 LEU HA H 88 4.740 4.438 0.302 1
1 957 . 9 1 1 A 88 88 LEU C C 88 175.000 176.149 -1.149 1
1 958 . 9 1 1 A 88 88 LEU CA C 88 54.500 54.664 -0.164 1
1 959 . 9 1 1 A 88 88 LEU CB C 88 43.200 42.642 0.558 1
1 963 . 9 1 1 A 88 88 LEU N N 88 120.300 122.896 -2.596 1
1 964 . 9 1 1 A 89 89 ARG H H 89 8.880 8.513 0.367 1
1 965 . 9 1 1 A 89 89 ARG HA H 89 5.300 5.063 0.237 1
1 973 . 9 1 1 A 89 89 ARG C C 89 174.900 174.643 0.257 1
1 974 . 9 1 1 A 89 89 ARG CA C 89 53.600 54.648 -1.048 1
1 975 . 9 1 1 A 89 89 ARG CB C 89 34.300 33.570 0.730 1
1 979 . 9 1 1 A 89 89 ARG N N 89 121.200 123.170 -1.970 1
1 981 . 9 1 1 A 90 90 LEU H H 90 9.250 9.568 -0.318 1
1 982 . 9 1 1 A 90 90 LEU HA H 90 5.270 5.078 0.192 1
1 992 . 9 1 1 A 90 90 LEU C C 90 173.700 174.828 -1.128 1
1 993 . 9 1 1 A 90 90 LEU CA C 90 52.900 53.248 -0.348 1
1 994 . 9 1 1 A 90 90 LEU CB C 90 42.000 43.527 -1.527 1
1 998 . 9 1 1 A 90 90 LEU N N 90 125.500 128.208 -2.708 1
1 999 . 9 1 1 A 91 91 HIS H H 91 9.600 8.881 0.719 1
1 1000 . 9 1 1 A 91 91 HIS HA H 91 5.280 5.800 -0.520 1
1 1005 . 9 1 1 A 91 91 HIS C C 91 174.300 173.356 0.944 1
1 1006 . 9 1 1 A 91 91 HIS CA C 91 54.500 53.312 1.188 1
1 1007 . 9 1 1 A 91 91 HIS CB C 91 35.200 32.627 2.573 1
1 1010 . 9 1 1 A 91 91 HIS N N 91 124.800 124.931 -0.131 1
1 1013 . 9 1 1 A 92 92 VAL H H 92 8.300 8.924 -0.624 1
1 1014 . 9 1 1 A 92 92 VAL HA H 92 4.110 4.595 -0.485 1
1 1022 . 9 1 1 A 92 92 VAL C C 92 174.200 175.055 -0.855 1
1 1023 . 9 1 1 A 92 92 VAL CA C 92 62.900 61.868 1.032 1
1 1024 . 9 1 1 A 92 92 VAL CB C 92 32.600 32.326 0.274 1
1 1027 . 9 1 1 A 92 92 VAL N N 92 128.400 127.855 0.545 1
1 1028 . 9 1 1 A 93 93 VAL H H 93 8.950 9.034 -0.084 1
1 1029 . 9 1 1 A 93 93 VAL HA H 93 4.170 4.556 -0.386 1
1 1037 . 9 1 1 A 93 93 VAL C C 93 175.600 174.296 1.304 1
1 1038 . 9 1 1 A 93 93 VAL CA C 93 61.100 61.267 -0.167 1
1 1039 . 9 1 1 A 93 93 VAL CB C 93 33.300 33.473 -0.173 1
1 1042 . 9 1 1 A 93 93 VAL N N 93 127.800 128.176 -0.376 1
1 1043 . 9 1 1 A 94 94 ASP H H 94 8.280 9.050 -0.770 1
1 1044 . 9 1 1 A 94 94 ASP HA H 94 4.850 5.121 -0.271 1
1 1047 . 9 1 1 A 94 94 ASP C C 94 174.700 176.037 -1.337 1
1 1048 . 9 1 1 A 94 94 ASP CA C 94 53.800 53.293 0.507 1
1 1049 . 9 1 1 A 94 94 ASP CB C 94 42.500 40.998 1.502 1
1 1050 . 9 1 1 A 94 94 ASP N N 94 127.100 127.523 -0.423 1
1 1 . 10 1 1 A 11 11 GLY C C 11 174.100 173.689 0.411 1
1 2 . 10 1 1 A 11 11 GLY CA C 11 45.300 44.573 0.727 1
1 3 . 10 1 1 A 12 12 LYS H H 12 8.180 8.585 -0.405 1
1 4 . 10 1 1 A 12 12 LYS HA H 12 4.320 4.273 0.047 1
1 13 . 10 1 1 A 12 12 LYS C C 12 176.700 176.539 0.161 1
1 14 . 10 1 1 A 12 12 LYS CA C 12 56.400 55.949 0.451 1
1 15 . 10 1 1 A 12 12 LYS CB C 12 33.200 32.891 0.309 1
1 19 . 10 1 1 A 12 12 LYS N N 12 120.600 122.360 -1.760 1
1 20 . 10 1 1 A 13 13 SER H H 13 8.360 8.685 -0.325 1
1 21 . 10 1 1 A 13 13 SER HA H 13 4.450 4.717 -0.267 1
1 24 . 10 1 1 A 13 13 SER C C 13 173.800 173.334 0.466 1
1 25 . 10 1 1 A 13 13 SER CA C 13 58.000 58.198 -0.198 1
1 26 . 10 1 1 A 13 13 SER CB C 13 63.900 63.421 0.479 1
1 27 . 10 1 1 A 13 13 SER N N 13 116.300 118.676 -2.376 1
1 28 . 10 1 1 A 14 14 ASP H H 14 8.450 9.217 -0.767 1
1 29 . 10 1 1 A 14 14 ASP HA H 14 4.670 4.825 -0.155 1
1 32 . 10 1 1 A 14 14 ASP C C 14 175.100 174.135 0.965 1
1 33 . 10 1 1 A 14 14 ASP CA C 14 54.400 53.142 1.258 1
1 34 . 10 1 1 A 14 14 ASP CB C 14 41.500 39.291 2.209 1
1 35 . 10 1 1 A 14 14 ASP N N 14 122.400 129.378 -6.978 1
1 36 . 10 1 1 A 15 15 PHE H H 15 8.110 8.973 -0.863 1
1 37 . 10 1 1 A 15 15 PHE HA H 15 5.290 5.258 0.032 1
1 45 . 10 1 1 A 15 15 PHE C C 15 175.000 174.970 0.030 1
1 46 . 10 1 1 A 15 15 PHE CA C 15 56.600 56.327 0.273 1
1 47 . 10 1 1 A 15 15 PHE CB C 15 42.600 43.575 -0.975 1
1 53 . 10 1 1 A 15 15 PHE N N 15 118.500 120.211 -1.711 1
1 54 . 10 1 1 A 16 16 ILE H H 16 9.160 8.564 0.596 1
1 55 . 10 1 1 A 16 16 ILE HA H 16 4.710 5.009 -0.299 1
1 65 . 10 1 1 A 16 16 ILE C C 16 173.400 174.151 -0.751 1
1 66 . 10 1 1 A 16 16 ILE CA C 16 59.300 59.096 0.204 1
1 67 . 10 1 1 A 16 16 ILE CB C 16 42.100 41.988 0.112 1
1 71 . 10 1 1 A 16 16 ILE N N 16 116.700 117.189 -0.489 1
1 72 . 10 1 1 A 17 17 LYS H H 17 8.530 8.546 -0.016 1
1 73 . 10 1 1 A 17 17 LYS HA H 17 5.220 4.963 0.257 1
1 82 . 10 1 1 A 17 17 LYS C C 17 176.400 176.117 0.283 1
1 83 . 10 1 1 A 17 17 LYS CA C 17 54.900 55.892 -0.992 1
1 84 . 10 1 1 A 17 17 LYS CB C 17 34.100 33.720 0.380 1
1 88 . 10 1 1 A 17 17 LYS N N 17 123.200 123.777 -0.577 1
1 89 . 10 1 1 A 18 18 VAL H H 18 8.900 8.554 0.346 1
1 90 . 10 1 1 A 18 18 VAL HA H 18 4.990 4.946 0.044 1
1 98 . 10 1 1 A 18 18 VAL C C 18 174.300 174.163 0.137 1
1 99 . 10 1 1 A 18 18 VAL CA C 18 58.600 58.834 -0.234 1
1 100 . 10 1 1 A 18 18 VAL CB C 18 35.600 36.068 -0.468 1
1 103 . 10 1 1 A 18 18 VAL N N 18 117.500 117.590 -0.090 1
1 104 . 10 1 1 A 19 19 ASN H H 19 7.830 8.537 -0.707 1
1 105 . 10 1 1 A 19 19 ASN HA H 19 5.780 5.429 0.351 1
1 110 . 10 1 1 A 19 19 ASN C C 19 175.300 174.254 1.046 1
1 111 . 10 1 1 A 19 19 ASN CA C 19 51.000 52.377 -1.377 1
1 112 . 10 1 1 A 19 19 ASN CB C 19 39.500 40.279 -0.779 1
1 114 . 10 1 1 A 19 19 ASN N N 19 117.700 119.486 -1.786 1
1 116 . 10 1 1 A 20 20 VAL H H 20 9.140 8.133 1.007 1
1 117 . 10 1 1 A 20 20 VAL HA H 20 5.480 5.021 0.459 1
1 125 . 10 1 1 A 20 20 VAL C C 20 174.900 174.706 0.194 1
1 126 . 10 1 1 A 20 20 VAL CA C 20 61.100 60.553 0.547 1
1 127 . 10 1 1 A 20 20 VAL CB C 20 35.000 34.385 0.615 1
1 130 . 10 1 1 A 20 20 VAL N N 20 120.600 124.024 -3.424 1
1 131 . 10 1 1 A 21 21 SER H H 21 9.700 8.763 0.937 1
1 132 . 10 1 1 A 21 21 SER HA H 21 4.930 5.100 -0.170 1
1 135 . 10 1 1 A 21 21 SER C C 21 172.900 172.939 -0.039 1
1 136 . 10 1 1 A 21 21 SER CA C 21 57.300 56.491 0.809 1
1 137 . 10 1 1 A 21 21 SER CB C 21 66.900 67.003 -0.103 1
1 138 . 10 1 1 A 21 21 SER N N 21 125.600 120.418 5.182 1
1 139 . 10 1 1 A 22 22 ASN H H 22 9.800 8.677 1.123 1
1 140 . 10 1 1 A 22 22 ASN HA H 22 5.240 5.205 0.035 1
1 145 . 10 1 1 A 22 22 ASN C C 22 174.200 175.373 -1.173 1
1 146 . 10 1 1 A 22 22 ASN CA C 22 53.500 52.270 1.230 1
1 147 . 10 1 1 A 22 22 ASN CB C 22 43.000 40.997 2.003 1
1 149 . 10 1 1 A 22 22 ASN N N 22 116.100 119.605 -3.505 1
1 151 . 10 1 1 A 23 23 SER H H 23 8.200 8.211 -0.011 1
1 152 . 10 1 1 A 23 23 SER HA H 23 4.370 4.314 0.056 1
1 155 . 10 1 1 A 23 23 SER CA C 23 59.700 62.466 -2.766 1
1 156 . 10 1 1 A 23 23 SER CB C 23 64.500 62.908 1.592 1
1 157 . 10 1 1 A 23 23 SER N N 23 111.800 118.455 -6.655 1
1 158 . 10 1 1 A 24 24 HIS H H 24 9.070 7.847 1.223 1
1 159 . 10 1 1 A 24 24 HIS HA H 24 4.790 4.657 0.133 1
1 164 . 10 1 1 A 24 24 HIS C C 24 175.100 175.053 0.047 1
1 165 . 10 1 1 A 24 24 HIS CA C 24 57.000 55.310 1.690 1
1 166 . 10 1 1 A 24 24 HIS CB C 24 31.300 31.796 -0.496 1
1 169 . 10 1 1 A 24 24 HIS N N 24 121.900 116.660 5.240 1
1 171 . 10 1 1 A 25 25 ASN H H 25 8.420 8.833 -0.413 1
1 172 . 10 1 1 A 25 25 ASN HA H 25 4.710 4.645 0.065 1
1 177 . 10 1 1 A 25 25 ASN C C 25 173.900 175.524 -1.624 1
1 178 . 10 1 1 A 25 25 ASN CA C 25 52.800 55.220 -2.420 1
1 179 . 10 1 1 A 25 25 ASN CB C 25 39.500 37.511 1.989 1
1 181 . 10 1 1 A 25 25 ASN N N 25 119.300 116.760 2.540 1
1 183 . 10 1 1 A 26 26 ASP H H 26 8.130 8.998 -0.868 1
1 184 . 10 1 1 A 26 26 ASP HA H 26 4.660 4.840 -0.180 1
1 187 . 10 1 1 A 26 26 ASP C C 26 176.300 176.365 -0.065 1
1 188 . 10 1 1 A 26 26 ASP CA C 26 53.600 54.765 -1.165 1
1 189 . 10 1 1 A 26 26 ASP CB C 26 40.900 41.174 -0.274 1
1 190 . 10 1 1 A 26 26 ASP N N 26 115.800 121.713 -5.913 1
1 191 . 10 1 1 A 27 27 ALA H H 27 8.330 7.309 1.021 1
1 192 . 10 1 1 A 27 27 ALA HA H 27 4.210 4.167 0.043 1
1 196 . 10 1 1 A 27 27 ALA C C 27 178.500 176.624 1.876 1
1 197 . 10 1 1 A 27 27 ALA CA C 27 53.100 52.273 0.827 1
1 198 . 10 1 1 A 27 27 ALA CB C 27 19.200 18.978 0.222 1
1 199 . 10 1 1 A 27 27 ALA N N 27 124.500 123.346 1.154 1
1 200 . 10 1 1 A 28 28 VAL H H 28 8.310 8.488 -0.178 1
1 201 . 10 1 1 A 28 28 VAL HA H 28 4.360 4.629 -0.269 1
1 209 . 10 1 1 A 28 28 VAL CA C 28 61.000 60.220 0.780 1
1 210 . 10 1 1 A 28 28 VAL CB C 28 35.000 35.417 -0.417 1
1 213 . 10 1 1 A 28 28 VAL N N 28 124.500 123.531 0.969 1
1 214 . 10 1 1 A 29 29 ALA H H 29 8.460 8.294 0.166 1
1 215 . 10 1 1 A 29 29 ALA HA H 29 4.590 5.518 -0.928 1
1 219 . 10 1 1 A 29 29 ALA C C 29 175.800 175.878 -0.078 1
1 220 . 10 1 1 A 29 29 ALA CA C 29 50.400 49.647 0.753 1
1 221 . 10 1 1 A 29 29 ALA CB C 29 20.100 22.262 -2.162 1
1 222 . 10 1 1 A 30 30 PHE H H 30 8.640 8.900 -0.260 1
1 223 . 10 1 1 A 30 30 PHE HA H 30 4.870 4.980 -0.110 1
1 231 . 10 1 1 A 30 30 PHE C C 30 175.800 176.528 -0.728 1
1 232 . 10 1 1 A 30 30 PHE CA C 30 57.300 56.481 0.819 1
1 233 . 10 1 1 A 30 30 PHE CB C 30 41.600 41.858 -0.258 1
1 239 . 10 1 1 A 30 30 PHE N N 30 122.100 120.409 1.691 1
1 240 . 10 1 1 A 31 31 GLU H H 31 8.670 9.076 -0.406 1
1 241 . 10 1 1 A 31 31 GLU HA H 31 3.530 4.062 -0.532 1
1 246 . 10 1 1 A 31 31 GLU C C 31 174.700 176.229 -1.529 1
1 247 . 10 1 1 A 31 31 GLU CA C 31 57.200 57.325 -0.125 1
1 248 . 10 1 1 A 31 31 GLU CB C 31 27.600 27.571 0.029 1
1 250 . 10 1 1 A 31 31 GLU N N 31 118.900 123.297 -4.397 1
1 251 . 10 1 1 A 32 32 VAL H H 32 9.100 7.516 1.584 1
1 252 . 10 1 1 A 32 32 VAL HA H 32 3.770 4.186 -0.416 1
1 260 . 10 1 1 A 32 32 VAL C C 32 175.400 175.006 0.394 1
1 261 . 10 1 1 A 32 32 VAL CA C 32 62.900 62.293 0.607 1
1 262 . 10 1 1 A 32 32 VAL CB C 32 32.200 32.306 -0.106 1
1 265 . 10 1 1 A 32 32 VAL N N 32 122.300 120.990 1.310 1
1 266 . 10 1 1 A 33 33 LYS H H 33 8.330 8.349 -0.019 1
1 267 . 10 1 1 A 33 33 LYS HA H 33 4.980 4.878 0.102 1
1 276 . 10 1 1 A 33 33 LYS C C 33 176.300 175.872 0.428 1
1 277 . 10 1 1 A 33 33 LYS CA C 33 55.700 56.157 -0.457 1
1 278 . 10 1 1 A 33 33 LYS CB C 33 33.500 32.998 0.502 1
1 282 . 10 1 1 A 33 33 LYS N N 33 128.300 125.282 3.018 1
1 283 . 10 1 1 A 34 34 LEU H H 34 9.140 8.596 0.544 1
1 284 . 10 1 1 A 34 34 LEU HA H 34 4.750 5.155 -0.405 1
1 294 . 10 1 1 A 34 34 LEU C C 34 175.000 175.970 -0.970 1
1 295 . 10 1 1 A 34 34 LEU CA C 34 52.900 53.510 -0.610 1
1 296 . 10 1 1 A 34 34 LEU CB C 34 46.700 45.888 0.812 1
1 300 . 10 1 1 A 34 34 LEU N N 34 126.700 124.539 2.161 1
1 301 . 10 1 1 A 35 35 ALA H H 35 8.650 8.905 -0.255 1
1 302 . 10 1 1 A 35 35 ALA HA H 35 4.100 3.732 0.368 1
1 306 . 10 1 1 A 35 35 ALA C C 35 178.000 177.814 0.186 1
1 307 . 10 1 1 A 35 35 ALA CA C 35 52.300 51.897 0.403 1
1 308 . 10 1 1 A 35 35 ALA CB C 35 19.100 18.805 0.295 1
1 309 . 10 1 1 A 35 35 ALA N N 35 126.600 126.299 0.301 1
1 310 . 10 1 1 A 36 36 LYS H H 36 8.230 8.805 -0.575 1
1 311 . 10 1 1 A 36 36 LYS HA H 36 3.710 4.130 -0.420 1
1 320 . 10 1 1 A 36 36 LYS C C 36 176.000 177.531 -1.531 1
1 321 . 10 1 1 A 36 36 LYS CA C 36 59.800 58.324 1.476 1
1 322 . 10 1 1 A 36 36 LYS CB C 36 33.200 32.152 1.048 1
1 326 . 10 1 1 A 36 36 LYS N N 36 119.200 125.828 -6.628 1
1 327 . 10 1 1 A 37 37 ASP H H 37 8.060 7.908 0.152 1
1 328 . 10 1 1 A 37 37 ASP HA H 37 4.470 4.647 -0.177 1
1 331 . 10 1 1 A 37 37 ASP C C 37 176.800 176.423 0.377 1
1 332 . 10 1 1 A 37 37 ASP CA C 37 53.000 54.619 -1.619 1
1 333 . 10 1 1 A 37 37 ASP CB C 37 39.700 41.138 -1.438 1
1 334 . 10 1 1 A 37 37 ASP N N 37 112.700 117.626 -4.926 1
1 335 . 10 1 1 A 38 38 LEU H H 38 7.170 6.960 0.210 1
1 336 . 10 1 1 A 38 38 LEU HA H 38 4.280 4.226 0.054 1
1 346 . 10 1 1 A 38 38 LEU C C 38 177.600 177.146 0.454 1
1 347 . 10 1 1 A 38 38 LEU CA C 38 55.800 54.974 0.826 1
1 348 . 10 1 1 A 38 38 LEU CB C 38 43.900 42.703 1.197 1
1 352 . 10 1 1 A 38 38 LEU N N 38 122.100 121.477 0.623 1
1 353 . 10 1 1 A 39 39 THR H H 39 8.430 8.605 -0.175 1
1 354 . 10 1 1 A 39 39 THR HA H 39 5.010 4.809 0.201 1
1 360 . 10 1 1 A 39 39 THR C C 39 176.500 176.269 0.231 1
1 361 . 10 1 1 A 39 39 THR CA C 39 60.900 60.453 0.447 1
1 362 . 10 1 1 A 39 39 THR CB C 39 71.200 71.359 -0.159 1
1 364 . 10 1 1 A 39 39 THR N N 39 112.800 114.920 -2.120 1
1 365 . 10 1 1 A 40 40 VAL H H 40 8.740 8.373 0.367 1
1 366 . 10 1 1 A 40 40 VAL HA H 40 3.530 3.680 -0.150 1
1 374 . 10 1 1 A 40 40 VAL C C 40 178.200 177.310 0.890 1
1 375 . 10 1 1 A 40 40 VAL CA C 40 67.300 66.780 0.520 1
1 376 . 10 1 1 A 40 40 VAL CB C 40 31.600 31.731 -0.131 1
1 379 . 10 1 1 A 40 40 VAL N N 40 123.600 122.293 1.307 1
1 380 . 10 1 1 A 41 41 ALA H H 41 8.520 8.160 0.360 1
1 381 . 10 1 1 A 41 41 ALA HA H 41 3.950 3.960 -0.010 1
1 385 . 10 1 1 A 41 41 ALA C C 41 180.700 180.072 0.628 1
1 386 . 10 1 1 A 41 41 ALA CA C 41 56.100 55.804 0.296 1
1 387 . 10 1 1 A 41 41 ALA CB C 41 18.800 18.410 0.390 1
1 388 . 10 1 1 A 41 41 ALA N N 41 121.400 122.151 -0.751 1
1 389 . 10 1 1 A 42 42 GLN H H 42 7.740 7.733 0.007 1
1 390 . 10 1 1 A 42 42 GLN HA H 42 4.060 4.045 0.015 1
1 397 . 10 1 1 A 42 42 GLN C C 42 180.300 178.675 1.625 1
1 398 . 10 1 1 A 42 42 GLN CA C 42 58.600 58.866 -0.266 1
1 399 . 10 1 1 A 42 42 GLN CB C 42 29.200 28.482 0.718 1
1 402 . 10 1 1 A 42 42 GLN N N 42 117.500 118.241 -0.741 1
1 404 . 10 1 1 A 43 43 LEU H H 43 9.210 7.835 1.375 1
1 405 . 10 1 1 A 43 43 LEU HA H 43 3.940 4.126 -0.186 1
1 415 . 10 1 1 A 43 43 LEU C C 43 178.300 178.636 -0.336 1
1 416 . 10 1 1 A 43 43 LEU CA C 43 57.900 57.715 0.185 1
1 417 . 10 1 1 A 43 43 LEU CB C 43 41.300 41.907 -0.607 1
1 421 . 10 1 1 A 43 43 LEU N N 43 123.000 121.716 1.284 1
1 422 . 10 1 1 A 44 44 LYS H H 44 8.740 7.879 0.861 1
1 423 . 10 1 1 A 44 44 LYS HA H 44 3.860 3.956 -0.096 1
1 432 . 10 1 1 A 44 44 LYS C C 44 178.300 179.315 -1.015 1
1 433 . 10 1 1 A 44 44 LYS CA C 44 61.100 59.529 1.571 1
1 434 . 10 1 1 A 44 44 LYS CB C 44 32.800 32.217 0.583 1
1 438 . 10 1 1 A 44 44 LYS N N 44 119.300 119.633 -0.333 1
1 439 . 10 1 1 A 45 45 THR H H 45 7.440 7.857 -0.417 1
1 440 . 10 1 1 A 45 45 THR HA H 45 3.930 3.971 -0.041 1
1 445 . 10 1 1 A 45 45 THR C C 45 176.700 176.985 -0.285 1
1 446 . 10 1 1 A 45 45 THR CA C 45 67.100 65.789 1.311 1
1 447 . 10 1 1 A 45 45 THR CB C 45 68.800 68.489 0.311 1
1 449 . 10 1 1 A 45 45 THR N N 45 114.000 113.794 0.206 1
1 450 . 10 1 1 A 46 46 LYS H H 46 7.500 7.730 -0.230 1
1 451 . 10 1 1 A 46 46 LYS HA H 46 4.100 4.006 0.094 1
1 460 . 10 1 1 A 46 46 LYS C C 46 179.700 179.595 0.105 1
1 461 . 10 1 1 A 46 46 LYS CA C 46 59.400 59.979 -0.579 1
1 462 . 10 1 1 A 46 46 LYS CB C 46 32.100 32.299 -0.199 1
1 466 . 10 1 1 A 46 46 LYS N N 46 121.700 122.399 -0.699 1
1 467 . 10 1 1 A 47 47 LEU H H 47 9.010 8.375 0.635 1
1 468 . 10 1 1 A 47 47 LEU HA H 47 4.040 3.954 0.086 1
1 478 . 10 1 1 A 47 47 LEU C C 47 180.000 179.309 0.691 1
1 479 . 10 1 1 A 47 47 LEU CA C 47 57.200 58.037 -0.837 1
1 480 . 10 1 1 A 47 47 LEU CB C 47 40.700 41.201 -0.501 1
1 484 . 10 1 1 A 47 47 LEU N N 47 118.000 119.612 -1.612 1
1 485 . 10 1 1 A 48 48 GLU H H 48 8.450 8.474 -0.024 1
1 486 . 10 1 1 A 48 48 GLU HA H 48 4.050 3.906 0.144 1
1 491 . 10 1 1 A 48 48 GLU C C 48 178.800 179.086 -0.286 1
1 492 . 10 1 1 A 48 48 GLU CA C 48 59.700 59.465 0.235 1
1 493 . 10 1 1 A 48 48 GLU CB C 48 29.400 29.377 0.023 1
1 495 . 10 1 1 A 48 48 GLU N N 48 126.300 120.198 6.102 1
1 496 . 10 1 1 A 49 49 ILE H H 49 7.180 7.343 -0.163 1
1 497 . 10 1 1 A 49 49 ILE HA H 49 3.780 3.699 0.081 1
1 507 . 10 1 1 A 49 49 ILE C C 49 178.000 178.739 -0.739 1
1 508 . 10 1 1 A 49 49 ILE CA C 49 64.000 64.934 -0.934 1
1 509 . 10 1 1 A 49 49 ILE CB C 49 38.100 37.974 0.126 1
1 513 . 10 1 1 A 49 49 ILE N N 49 119.600 120.715 -1.115 1
1 514 . 10 1 1 A 50 50 LEU H H 50 7.520 7.907 -0.387 1
1 515 . 10 1 1 A 50 50 LEU HA H 50 4.160 3.953 0.207 1
1 525 . 10 1 1 A 50 50 LEU C C 50 178.400 178.321 0.079 1
1 526 . 10 1 1 A 50 50 LEU CA C 50 57.500 57.918 -0.418 1
1 527 . 10 1 1 A 50 50 LEU CB C 50 44.300 41.737 2.563 1
1 531 . 10 1 1 A 50 50 LEU N N 50 116.800 118.982 -2.182 1
1 532 . 10 1 1 A 51 51 THR H H 51 8.160 8.116 0.044 1
1 533 . 10 1 1 A 51 51 THR HA H 51 4.490 4.435 0.055 1
1 538 . 10 1 1 A 51 51 THR C C 51 175.600 175.963 -0.363 1
1 539 . 10 1 1 A 51 51 THR CA C 51 62.400 62.267 0.133 1
1 540 . 10 1 1 A 51 51 THR CB C 51 72.900 70.672 2.228 1
1 542 . 10 1 1 A 51 51 THR N N 51 104.100 106.317 -2.217 1
1 543 . 10 1 1 A 52 52 GLY H H 52 8.080 8.410 -0.330 1
1 544 . 10 1 1 A 52 52 GLY HA2 H 52 3.830 3.950 -0.120 1
1 545 . 10 1 1 A 52 52 GLY HA3 H 52 4.250 3.951 0.299 1
1 546 . 10 1 1 A 52 52 GLY C C 52 174.800 174.646 0.154 1
1 547 . 10 1 1 A 52 52 GLY CA C 52 45.500 46.222 -0.722 1
1 548 . 10 1 1 A 52 52 GLY N N 52 112.100 112.205 -0.105 1
1 549 . 10 1 1 A 53 53 GLY H H 53 7.880 7.790 0.090 1
1 550 . 10 1 1 A 53 53 GLY HA2 H 53 3.220 3.967 -0.747 1
1 551 . 10 1 1 A 53 53 GLY HA3 H 53 4.040 3.968 0.072 1
1 552 . 10 1 1 A 53 53 GLY C C 53 170.900 173.387 -2.487 1
1 553 . 10 1 1 A 53 53 GLY CA C 53 44.300 44.008 0.292 1
1 554 . 10 1 1 A 53 53 GLY N N 53 107.000 108.041 -1.041 1
1 555 . 10 1 1 A 54 54 CYS H H 54 8.690 8.424 0.266 1
1 556 . 10 1 1 A 54 54 CYS HA H 54 4.430 5.229 -0.799 1
1 559 . 10 1 1 A 54 54 CYS C C 54 176.100 174.944 1.156 1
1 560 . 10 1 1 A 54 54 CYS CA C 54 57.900 57.582 0.318 1
1 561 . 10 1 1 A 54 54 CYS CB C 54 27.800 30.613 -2.813 1
1 562 . 10 1 1 A 54 54 CYS N N 54 120.200 119.768 0.432 1
1 563 . 10 1 1 A 55 55 ALA H H 55 10.100 9.101 0.999 1
1 564 . 10 1 1 A 55 55 ALA HA H 55 3.890 4.078 -0.188 1
1 568 . 10 1 1 A 55 55 ALA C C 55 178.900 178.298 0.602 1
1 569 . 10 1 1 A 55 55 ALA CA C 55 55.700 54.451 1.249 1
1 570 . 10 1 1 A 55 55 ALA CB C 55 18.500 18.608 -0.108 1
1 571 . 10 1 1 A 55 55 ALA N N 55 133.900 126.879 7.021 1
1 572 . 10 1 1 A 56 56 GLY H H 56 8.380 8.394 -0.014 1
1 573 . 10 1 1 A 56 56 GLY HA2 H 56 3.910 3.949 -0.039 1
1 574 . 10 1 1 A 56 56 GLY HA3 H 56 3.910 3.950 -0.040 1
1 575 . 10 1 1 A 56 56 GLY C C 56 174.600 174.567 0.033 1
1 576 . 10 1 1 A 56 56 GLY CA C 56 45.900 45.862 0.038 1
1 577 . 10 1 1 A 56 56 GLY N N 56 104.300 106.731 -2.431 1
1 578 . 10 1 1 A 57 57 THR H H 57 7.310 7.607 -0.297 1
1 579 . 10 1 1 A 57 57 THR HA H 57 4.520 4.634 -0.114 1
1 584 . 10 1 1 A 57 57 THR C C 57 175.500 173.635 1.865 1
1 585 . 10 1 1 A 57 57 THR CA C 57 61.400 61.001 0.399 1
1 586 . 10 1 1 A 57 57 THR CB C 57 69.900 70.302 -0.402 1
1 588 . 10 1 1 A 57 57 THR N N 57 107.700 114.674 -6.974 1
1 589 . 10 1 1 A 58 58 MET H H 58 7.910 7.622 0.288 1
1 590 . 10 1 1 A 58 58 MET HA H 58 4.540 4.764 -0.224 1
1 598 . 10 1 1 A 58 58 MET C C 58 175.100 175.478 -0.378 1
1 599 . 10 1 1 A 58 58 MET CA C 58 56.900 54.512 2.388 1
1 600 . 10 1 1 A 58 58 MET CB C 58 33.700 34.233 -0.533 1
1 603 . 10 1 1 A 58 58 MET N N 58 120.700 122.423 -1.723 1
1 604 . 10 1 1 A 59 59 LYS H H 59 8.780 8.621 0.159 1
1 605 . 10 1 1 A 59 59 LYS HA H 59 4.610 5.167 -0.557 1
1 614 . 10 1 1 A 59 59 LYS C C 59 174.500 175.101 -0.601 1
1 615 . 10 1 1 A 59 59 LYS CA C 59 54.500 54.721 -0.221 1
1 616 . 10 1 1 A 59 59 LYS CB C 59 34.700 35.660 -0.960 1
1 620 . 10 1 1 A 59 59 LYS N N 59 122.400 126.181 -3.781 1
1 621 . 10 1 1 A 60 60 VAL H H 60 8.740 8.829 -0.089 1
1 622 . 10 1 1 A 60 60 VAL HA H 60 4.700 5.118 -0.418 1
1 630 . 10 1 1 A 60 60 VAL C C 60 175.000 175.101 -0.101 1
1 631 . 10 1 1 A 60 60 VAL CA C 60 61.300 60.808 0.492 1
1 632 . 10 1 1 A 60 60 VAL CB C 60 33.400 34.573 -1.173 1
1 635 . 10 1 1 A 60 60 VAL N N 60 122.100 123.529 -1.429 1
1 636 . 10 1 1 A 61 61 GLN H H 61 9.250 8.600 0.650 1
1 637 . 10 1 1 A 61 61 GLN HA H 61 4.790 4.915 -0.125 1
1 644 . 10 1 1 A 61 61 GLN C C 61 174.700 174.570 0.130 1
1 645 . 10 1 1 A 61 61 GLN CA C 61 54.200 54.041 0.159 1
1 646 . 10 1 1 A 61 61 GLN CB C 61 32.800 31.933 0.867 1
1 649 . 10 1 1 A 61 61 GLN N N 61 126.400 125.838 0.562 1
1 651 . 10 1 1 A 62 62 VAL H H 62 8.690 8.191 0.499 1
1 652 . 10 1 1 A 62 62 VAL HA H 62 4.650 4.517 0.133 1
1 660 . 10 1 1 A 62 62 VAL C C 62 174.700 175.014 -0.314 1
1 661 . 10 1 1 A 62 62 VAL CA C 62 61.800 61.878 -0.078 1
1 662 . 10 1 1 A 62 62 VAL CB C 62 32.500 32.045 0.455 1
1 665 . 10 1 1 A 62 62 VAL N N 62 121.700 123.334 -1.634 1
1 666 . 10 1 1 A 63 63 PHE H H 63 10.020 9.136 0.884 1
1 667 . 10 1 1 A 63 63 PHE HA H 63 5.170 5.214 -0.044 1
1 675 . 10 1 1 A 63 63 PHE C C 63 175.100 174.577 0.523 1
1 676 . 10 1 1 A 63 63 PHE CA C 63 56.800 55.877 0.923 1
1 677 . 10 1 1 A 63 63 PHE CB C 63 42.900 43.342 -0.442 1
1 683 . 10 1 1 A 63 63 PHE N N 63 127.100 126.299 0.801 1
1 684 . 10 1 1 A 64 64 LYS H H 64 8.710 8.539 0.171 1
1 685 . 10 1 1 A 64 64 LYS HA H 64 4.650 4.649 0.001 1
1 694 . 10 1 1 A 64 64 LYS C C 64 176.900 176.648 0.252 1
1 695 . 10 1 1 A 64 64 LYS CA C 64 55.100 55.077 0.023 1
1 696 . 10 1 1 A 64 64 LYS CB C 64 34.100 33.469 0.631 1
1 700 . 10 1 1 A 64 64 LYS N N 64 123.900 123.556 0.344 1
1 701 . 10 1 1 A 65 65 GLY H H 65 9.160 8.999 0.161 1
1 702 . 10 1 1 A 65 65 GLY HA2 H 65 3.680 3.880 -0.200 1
1 703 . 10 1 1 A 65 65 GLY HA3 H 65 4.050 3.887 0.163 1
1 704 . 10 1 1 A 65 65 GLY C C 65 174.600 174.414 0.186 1
1 705 . 10 1 1 A 65 65 GLY CA C 65 47.200 47.176 0.024 1
1 706 . 10 1 1 A 65 65 GLY N N 65 118.800 115.330 3.470 1
1 707 . 10 1 1 A 66 66 ASP H H 66 8.760 8.681 0.079 1
1 708 . 10 1 1 A 66 66 ASP HA H 66 4.700 4.694 0.006 1
1 711 . 10 1 1 A 66 66 ASP C C 66 176.000 175.245 0.755 1
1 712 . 10 1 1 A 66 66 ASP CA C 66 54.300 53.420 0.880 1
1 713 . 10 1 1 A 66 66 ASP CB C 66 41.300 40.592 0.708 1
1 714 . 10 1 1 A 66 66 ASP N N 66 126.400 126.049 0.351 1
1 715 . 10 1 1 A 67 67 THR H H 67 8.020 7.197 0.823 1
1 716 . 10 1 1 A 67 67 THR HA H 67 4.300 4.990 -0.690 1
1 721 . 10 1 1 A 67 67 THR C C 67 172.100 173.159 -1.059 1
1 722 . 10 1 1 A 67 67 THR CA C 67 62.400 61.170 1.230 1
1 723 . 10 1 1 A 67 67 THR CB C 67 70.700 71.654 -0.954 1
1 725 . 10 1 1 A 67 67 THR N N 67 117.500 114.481 3.019 1
1 726 . 10 1 1 A 68 68 CYS H H 68 8.940 8.735 0.205 1
1 727 . 10 1 1 A 68 68 CYS HA H 68 3.400 4.584 -1.184 1
1 730 . 10 1 1 A 68 68 CYS C C 68 174.900 175.833 -0.933 1
1 731 . 10 1 1 A 68 68 CYS CA C 68 58.700 59.018 -0.318 1
1 732 . 10 1 1 A 68 68 CYS CB C 68 25.600 28.422 -2.822 1
1 733 . 10 1 1 A 68 68 CYS N N 68 129.500 125.277 4.223 1
1 734 . 10 1 1 A 69 69 VAL H H 69 9.090 8.712 0.378 1
1 735 . 10 1 1 A 69 69 VAL HA H 69 4.150 3.872 0.278 1
1 743 . 10 1 1 A 69 69 VAL C C 69 176.300 175.389 0.911 1
1 744 . 10 1 1 A 69 69 VAL CA C 69 62.900 64.360 -1.460 1
1 745 . 10 1 1 A 69 69 VAL CB C 69 32.800 32.058 0.742 1
1 748 . 10 1 1 A 69 69 VAL N N 69 127.500 128.714 -1.214 1
1 749 . 10 1 1 A 70 70 SER H H 70 7.640 7.510 0.130 1
1 750 . 10 1 1 A 70 70 SER HA H 70 4.550 4.689 -0.139 1
1 753 . 10 1 1 A 70 70 SER C C 70 172.300 171.762 0.538 1
1 754 . 10 1 1 A 70 70 SER CA C 70 58.700 57.782 0.918 1
1 755 . 10 1 1 A 70 70 SER CB C 70 65.100 66.510 -1.410 1
1 756 . 10 1 1 A 70 70 SER N N 70 113.400 112.512 0.888 1
1 757 . 10 1 1 A 71 71 THR H H 71 8.220 8.500 -0.280 1
1 758 . 10 1 1 A 71 71 THR HA H 71 4.580 4.729 -0.149 1
1 763 . 10 1 1 A 71 71 THR C C 71 174.000 174.504 -0.504 1
1 764 . 10 1 1 A 71 71 THR CA C 71 61.800 61.119 0.681 1
1 765 . 10 1 1 A 71 71 THR CB C 71 70.500 70.948 -0.448 1
1 767 . 10 1 1 A 71 71 THR N N 71 114.500 115.709 -1.209 1
1 768 . 10 1 1 A 72 72 MET H H 72 8.260 8.815 -0.555 1
1 769 . 10 1 1 A 72 72 MET HA H 72 2.990 3.838 -0.848 1
1 777 . 10 1 1 A 72 72 MET C C 72 175.700 175.418 0.282 1
1 778 . 10 1 1 A 72 72 MET CA C 72 55.100 53.949 1.151 1
1 779 . 10 1 1 A 72 72 MET CB C 72 30.200 30.628 -0.428 1
1 782 . 10 1 1 A 72 72 MET N N 72 121.800 125.281 -3.481 1
1 783 . 10 1 1 A 73 73 ASP H H 73 7.830 8.265 -0.435 1
1 784 . 10 1 1 A 73 73 ASP HA H 73 4.370 4.704 -0.334 1
1 787 . 10 1 1 A 73 73 ASP C C 73 175.100 176.290 -1.190 1
1 788 . 10 1 1 A 73 73 ASP CA C 73 55.800 54.968 0.832 1
1 789 . 10 1 1 A 73 73 ASP CB C 73 41.800 41.722 0.078 1
1 790 . 10 1 1 A 73 73 ASP N N 73 125.100 124.373 0.727 1
1 791 . 10 1 1 A 74 74 ASN H H 74 7.480 7.489 -0.009 1
1 792 . 10 1 1 A 74 74 ASN HA H 74 4.890 4.926 -0.036 1
1 797 . 10 1 1 A 74 74 ASN C C 74 175.800 175.269 0.531 1
1 798 . 10 1 1 A 74 74 ASN CA C 74 51.600 52.657 -1.057 1
1 799 . 10 1 1 A 74 74 ASN CB C 74 38.800 37.919 0.881 1
1 801 . 10 1 1 A 74 74 ASN N N 74 116.400 117.757 -1.357 1
1 803 . 10 1 1 A 75 75 ASN H H 75 8.870 8.897 -0.027 1
1 804 . 10 1 1 A 75 75 ASN HA H 75 4.390 4.470 -0.080 1
1 809 . 10 1 1 A 75 75 ASN C C 75 175.700 176.475 -0.775 1
1 810 . 10 1 1 A 75 75 ASN CA C 75 55.600 55.966 -0.366 1
1 811 . 10 1 1 A 75 75 ASN CB C 75 39.200 38.263 0.937 1
1 813 . 10 1 1 A 75 75 ASN N N 75 123.600 123.913 -0.313 1
1 815 . 10 1 1 A 76 76 ASP H H 76 8.060 8.299 -0.239 1
1 816 . 10 1 1 A 76 76 ASP HA H 76 4.750 4.532 0.218 1
1 819 . 10 1 1 A 76 76 ASP C C 76 176.200 176.146 0.054 1
1 820 . 10 1 1 A 76 76 ASP CA C 76 54.200 54.657 -0.457 1
1 821 . 10 1 1 A 76 76 ASP CB C 76 41.700 39.944 1.756 1
1 822 . 10 1 1 A 76 76 ASP N N 76 115.100 114.834 0.266 1
1 823 . 10 1 1 A 77 77 ALA H H 77 7.140 7.218 -0.078 1
1 824 . 10 1 1 A 77 77 ALA HA H 77 4.160 4.202 -0.042 1
1 828 . 10 1 1 A 77 77 ALA C C 77 176.100 177.408 -1.308 1
1 829 . 10 1 1 A 77 77 ALA CA C 77 51.400 51.590 -0.190 1
1 830 . 10 1 1 A 77 77 ALA CB C 77 20.100 19.744 0.356 1
1 831 . 10 1 1 A 77 77 ALA N N 77 122.600 122.939 -0.339 1
1 832 . 10 1 1 A 78 78 GLN H H 78 8.090 8.995 -0.905 1
1 833 . 10 1 1 A 78 78 GLN HA H 78 4.750 4.472 0.278 1
1 840 . 10 1 1 A 78 78 GLN C C 78 177.900 177.722 0.178 1
1 841 . 10 1 1 A 78 78 GLN CA C 78 55.200 55.349 -0.149 1
1 842 . 10 1 1 A 78 78 GLN CB C 78 29.500 29.573 -0.073 1
1 845 . 10 1 1 A 78 78 GLN N N 78 116.500 120.338 -3.838 1
1 847 . 10 1 1 A 79 79 LEU H H 79 9.380 9.221 0.159 1
1 848 . 10 1 1 A 79 79 LEU HA H 79 4.060 4.183 -0.123 1
1 858 . 10 1 1 A 79 79 LEU C C 79 179.200 179.098 0.102 1
1 859 . 10 1 1 A 79 79 LEU CA C 79 58.900 58.004 0.896 1
1 860 . 10 1 1 A 79 79 LEU CB C 79 42.000 41.475 0.525 1
1 864 . 10 1 1 A 79 79 LEU N N 79 123.800 126.003 -2.203 1
1 865 . 10 1 1 A 80 80 GLY H H 80 9.130 7.912 1.218 1
1 866 . 10 1 1 A 80 80 GLY HA2 H 80 3.750 3.927 -0.177 1
1 867 . 10 1 1 A 80 80 GLY HA3 H 80 4.160 3.950 0.210 1
1 868 . 10 1 1 A 80 80 GLY C C 80 174.100 175.144 -1.044 1
1 869 . 10 1 1 A 80 80 GLY CA C 80 45.600 46.245 -0.645 1
1 870 . 10 1 1 A 80 80 GLY N N 80 104.000 106.185 -2.185 1
1 871 . 10 1 1 A 81 81 TYR H H 81 7.900 8.042 -0.142 1
1 872 . 10 1 1 A 81 81 TYR HA H 81 4.000 3.920 0.080 1
1 879 . 10 1 1 A 81 81 TYR C C 81 176.300 176.703 -0.403 1
1 880 . 10 1 1 A 81 81 TYR CA C 81 60.600 60.723 -0.123 1
1 881 . 10 1 1 A 81 81 TYR CB C 81 38.700 38.200 0.500 1
1 886 . 10 1 1 A 81 81 TYR N N 81 120.300 122.485 -2.185 1
1 887 . 10 1 1 A 82 82 TYR H H 82 7.430 7.847 -0.417 1
1 888 . 10 1 1 A 82 82 TYR HA H 82 4.340 4.655 -0.315 1
1 895 . 10 1 1 A 82 82 TYR C C 82 175.500 176.570 -1.070 1
1 896 . 10 1 1 A 82 82 TYR CA C 82 58.700 58.994 -0.294 1
1 897 . 10 1 1 A 82 82 TYR CB C 82 41.500 40.181 1.319 1
1 902 . 10 1 1 A 82 82 TYR N N 82 114.000 114.559 -0.559 1
1 903 . 10 1 1 A 83 83 ALA H H 83 8.430 7.624 0.806 1
1 904 . 10 1 1 A 83 83 ALA HA H 83 4.380 4.495 -0.115 1
1 908 . 10 1 1 A 83 83 ALA C C 83 173.400 177.650 -4.250 1
1 909 . 10 1 1 A 83 83 ALA CA C 83 51.000 50.794 0.206 1
1 910 . 10 1 1 A 83 83 ALA CB C 83 19.500 18.330 1.170 1
1 911 . 10 1 1 A 83 83 ALA N N 83 122.900 121.518 1.382 1
1 912 . 10 1 1 A 84 84 ASN H H 84 8.050 8.608 -0.558 1
1 913 . 10 1 1 A 84 84 ASN HA H 84 4.760 4.820 -0.060 1
1 918 . 10 1 1 A 84 84 ASN C C 84 174.600 174.488 0.112 1
1 919 . 10 1 1 A 84 84 ASN CA C 84 52.200 52.551 -0.351 1
1 920 . 10 1 1 A 84 84 ASN CB C 84 39.300 38.413 0.887 1
1 922 . 10 1 1 A 84 84 ASN N N 84 117.300 119.718 -2.418 1
1 924 . 10 1 1 A 85 85 SER H H 85 7.180 7.569 -0.389 1
1 925 . 10 1 1 A 85 85 SER HA H 85 4.670 4.808 -0.138 1
1 928 . 10 1 1 A 85 85 SER C C 85 172.000 171.865 0.135 1
1 929 . 10 1 1 A 85 85 SER CA C 85 56.900 56.711 0.189 1
1 930 . 10 1 1 A 85 85 SER CB C 85 66.000 66.019 -0.019 1
1 931 . 10 1 1 A 85 85 SER N N 85 112.200 112.445 -0.245 1
1 932 . 10 1 1 A 86 86 ASP H H 86 8.320 8.828 -0.508 1
1 933 . 10 1 1 A 86 86 ASP HA H 86 4.920 4.818 0.102 1
1 936 . 10 1 1 A 86 86 ASP C C 86 178.100 176.726 1.374 1
1 937 . 10 1 1 A 86 86 ASP CA C 86 55.000 53.641 1.359 1
1 938 . 10 1 1 A 86 86 ASP CB C 86 42.000 41.904 0.096 1
1 939 . 10 1 1 A 86 86 ASP N N 86 119.100 124.362 -5.262 1
1 940 . 10 1 1 A 87 87 GLY H H 87 8.910 8.590 0.320 1
1 941 . 10 1 1 A 87 87 GLY HA2 H 87 3.850 3.984 -0.134 1
1 942 . 10 1 1 A 87 87 GLY HA3 H 87 4.110 3.991 0.119 1
1 943 . 10 1 1 A 87 87 GLY C C 87 175.400 174.345 1.055 1
1 944 . 10 1 1 A 87 87 GLY CA C 87 46.100 45.186 0.914 1
1 945 . 10 1 1 A 87 87 GLY N N 87 107.900 110.405 -2.505 1
1 946 . 10 1 1 A 88 88 LEU H H 88 8.290 7.752 0.538 1
1 947 . 10 1 1 A 88 88 LEU HA H 88 4.740 4.433 0.307 1
1 957 . 10 1 1 A 88 88 LEU C C 88 175.000 176.099 -1.099 1
1 958 . 10 1 1 A 88 88 LEU CA C 88 54.500 54.684 -0.184 1
1 959 . 10 1 1 A 88 88 LEU CB C 88 43.200 42.620 0.580 1
1 963 . 10 1 1 A 88 88 LEU N N 88 120.300 123.065 -2.765 1
1 964 . 10 1 1 A 89 89 ARG H H 89 8.880 8.551 0.329 1
1 965 . 10 1 1 A 89 89 ARG HA H 89 5.300 5.252 0.048 1
1 973 . 10 1 1 A 89 89 ARG C C 89 174.900 174.521 0.379 1
1 974 . 10 1 1 A 89 89 ARG CA C 89 53.600 54.765 -1.165 1
1 975 . 10 1 1 A 89 89 ARG CB C 89 34.300 33.545 0.755 1
1 979 . 10 1 1 A 89 89 ARG N N 89 121.200 123.160 -1.960 1
1 981 . 10 1 1 A 90 90 LEU H H 90 9.250 9.525 -0.275 1
1 982 . 10 1 1 A 90 90 LEU HA H 90 5.270 5.178 0.092 1
1 992 . 10 1 1 A 90 90 LEU C C 90 173.700 175.075 -1.375 1
1 993 . 10 1 1 A 90 90 LEU CA C 90 52.900 53.434 -0.534 1
1 994 . 10 1 1 A 90 90 LEU CB C 90 42.000 43.913 -1.913 1
1 998 . 10 1 1 A 90 90 LEU N N 90 125.500 128.075 -2.575 1
1 999 . 10 1 1 A 91 91 HIS H H 91 9.600 8.826 0.774 1
1 1000 . 10 1 1 A 91 91 HIS HA H 91 5.280 5.541 -0.261 1
1 1005 . 10 1 1 A 91 91 HIS C C 91 174.300 173.358 0.942 1
1 1006 . 10 1 1 A 91 91 HIS CA C 91 54.500 53.498 1.002 1
1 1007 . 10 1 1 A 91 91 HIS CB C 91 35.200 32.385 2.815 1
1 1010 . 10 1 1 A 91 91 HIS N N 91 124.800 124.833 -0.033 1
1 1013 . 10 1 1 A 92 92 VAL H H 92 8.300 9.048 -0.748 1
1 1014 . 10 1 1 A 92 92 VAL HA H 92 4.110 4.371 -0.261 1
1 1022 . 10 1 1 A 92 92 VAL C C 92 174.200 175.164 -0.964 1
1 1023 . 10 1 1 A 92 92 VAL CA C 92 62.900 62.086 0.814 1
1 1024 . 10 1 1 A 92 92 VAL CB C 92 32.600 32.128 0.472 1
1 1027 . 10 1 1 A 92 92 VAL N N 92 128.400 127.868 0.532 1
1 1028 . 10 1 1 A 93 93 VAL H H 93 8.950 9.331 -0.381 1
1 1029 . 10 1 1 A 93 93 VAL HA H 93 4.170 4.602 -0.432 1
1 1037 . 10 1 1 A 93 93 VAL C C 93 175.600 174.291 1.309 1
1 1038 . 10 1 1 A 93 93 VAL CA C 93 61.100 61.302 -0.202 1
1 1039 . 10 1 1 A 93 93 VAL CB C 93 33.300 33.420 -0.120 1
1 1042 . 10 1 1 A 93 93 VAL N N 93 127.800 128.185 -0.385 1
1 1043 . 10 1 1 A 94 94 ASP H H 94 8.280 8.944 -0.664 1
1 1044 . 10 1 1 A 94 94 ASP HA H 94 4.850 5.402 -0.552 1
1 1047 . 10 1 1 A 94 94 ASP C C 94 174.700 174.957 -0.257 1
1 1048 . 10 1 1 A 94 94 ASP CA C 94 53.800 52.508 1.292 1
1 1049 . 10 1 1 A 94 94 ASP CB C 94 42.500 42.136 0.364 1
1 1050 . 10 1 1 A 94 94 ASP N N 94 127.100 128.768 -1.668 1
1 1 . 11 1 1 A 11 11 GLY C C 11 174.100 174.695 -0.595 1
1 2 . 11 1 1 A 11 11 GLY CA C 11 45.300 45.042 0.258 1
1 3 . 11 1 1 A 12 12 LYS H H 12 8.180 8.751 -0.571 1
1 4 . 11 1 1 A 12 12 LYS HA H 12 4.320 3.784 0.536 1
1 13 . 11 1 1 A 12 12 LYS C C 12 176.700 175.439 1.261 1
1 14 . 11 1 1 A 12 12 LYS CA C 12 56.400 57.104 -0.704 1
1 15 . 11 1 1 A 12 12 LYS CB C 12 33.200 30.166 3.034 1
1 19 . 11 1 1 A 12 12 LYS N N 12 120.600 119.108 1.492 1
1 20 . 11 1 1 A 13 13 SER H H 13 8.360 7.913 0.447 1
1 21 . 11 1 1 A 13 13 SER HA H 13 4.450 4.618 -0.168 1
1 24 . 11 1 1 A 13 13 SER C C 13 173.800 173.941 -0.141 1
1 25 . 11 1 1 A 13 13 SER CA C 13 58.000 58.071 -0.071 1
1 26 . 11 1 1 A 13 13 SER CB C 13 63.900 65.009 -1.109 1
1 27 . 11 1 1 A 13 13 SER N N 13 116.300 113.041 3.259 1
1 28 . 11 1 1 A 14 14 ASP H H 14 8.450 8.649 -0.199 1
1 29 . 11 1 1 A 14 14 ASP HA H 14 4.670 4.990 -0.320 1
1 32 . 11 1 1 A 14 14 ASP C C 14 175.100 174.141 0.959 1
1 33 . 11 1 1 A 14 14 ASP CA C 14 54.400 52.947 1.453 1
1 34 . 11 1 1 A 14 14 ASP CB C 14 41.500 41.411 0.089 1
1 35 . 11 1 1 A 14 14 ASP N N 14 122.400 122.451 -0.051 1
1 36 . 11 1 1 A 15 15 PHE H H 15 8.110 8.198 -0.088 1
1 37 . 11 1 1 A 15 15 PHE HA H 15 5.290 5.125 0.165 1
1 45 . 11 1 1 A 15 15 PHE C C 15 175.000 175.073 -0.073 1
1 46 . 11 1 1 A 15 15 PHE CA C 15 56.600 56.182 0.418 1
1 47 . 11 1 1 A 15 15 PHE CB C 15 42.600 43.532 -0.932 1
1 53 . 11 1 1 A 15 15 PHE N N 15 118.500 117.983 0.517 1
1 54 . 11 1 1 A 16 16 ILE H H 16 9.160 8.515 0.645 1
1 55 . 11 1 1 A 16 16 ILE HA H 16 4.710 5.088 -0.378 1
1 65 . 11 1 1 A 16 16 ILE C C 16 173.400 173.534 -0.134 1
1 66 . 11 1 1 A 16 16 ILE CA C 16 59.300 59.126 0.174 1
1 67 . 11 1 1 A 16 16 ILE CB C 16 42.100 42.258 -0.158 1
1 71 . 11 1 1 A 16 16 ILE N N 16 116.700 116.555 0.145 1
1 72 . 11 1 1 A 17 17 LYS H H 17 8.530 8.842 -0.312 1
1 73 . 11 1 1 A 17 17 LYS HA H 17 5.220 5.288 -0.068 1
1 82 . 11 1 1 A 17 17 LYS C C 17 176.400 175.508 0.892 1
1 83 . 11 1 1 A 17 17 LYS CA C 17 54.900 54.807 0.093 1
1 84 . 11 1 1 A 17 17 LYS CB C 17 34.100 35.239 -1.139 1
1 88 . 11 1 1 A 17 17 LYS N N 17 123.200 123.149 0.051 1
1 89 . 11 1 1 A 18 18 VAL H H 18 8.900 8.546 0.354 1
1 90 . 11 1 1 A 18 18 VAL HA H 18 4.990 4.970 0.020 1
1 98 . 11 1 1 A 18 18 VAL C C 18 174.300 174.370 -0.070 1
1 99 . 11 1 1 A 18 18 VAL CA C 18 58.600 58.792 -0.192 1
1 100 . 11 1 1 A 18 18 VAL CB C 18 35.600 36.248 -0.648 1
1 103 . 11 1 1 A 18 18 VAL N N 18 117.500 119.790 -2.290 1
1 104 . 11 1 1 A 19 19 ASN H H 19 7.830 8.369 -0.539 1
1 105 . 11 1 1 A 19 19 ASN HA H 19 5.780 5.374 0.406 1
1 110 . 11 1 1 A 19 19 ASN C C 19 175.300 174.196 1.104 1
1 111 . 11 1 1 A 19 19 ASN CA C 19 51.000 52.230 -1.230 1
1 112 . 11 1 1 A 19 19 ASN CB C 19 39.500 40.687 -1.187 1
1 114 . 11 1 1 A 19 19 ASN N N 19 117.700 118.915 -1.215 1
1 116 . 11 1 1 A 20 20 VAL H H 20 9.140 8.179 0.961 1
1 117 . 11 1 1 A 20 20 VAL HA H 20 5.480 4.956 0.524 1
1 125 . 11 1 1 A 20 20 VAL C C 20 174.900 174.854 0.046 1
1 126 . 11 1 1 A 20 20 VAL CA C 20 61.100 60.603 0.497 1
1 127 . 11 1 1 A 20 20 VAL CB C 20 35.000 34.075 0.925 1
1 130 . 11 1 1 A 20 20 VAL N N 20 120.600 123.321 -2.721 1
1 131 . 11 1 1 A 21 21 SER H H 21 9.700 8.471 1.229 1
1 132 . 11 1 1 A 21 21 SER HA H 21 4.930 4.856 0.074 1
1 135 . 11 1 1 A 21 21 SER C C 21 172.900 172.275 0.625 1
1 136 . 11 1 1 A 21 21 SER CA C 21 57.300 56.513 0.787 1
1 137 . 11 1 1 A 21 21 SER CB C 21 66.900 64.707 2.193 1
1 138 . 11 1 1 A 21 21 SER N N 21 125.600 121.112 4.488 1
1 139 . 11 1 1 A 22 22 ASN H H 22 9.800 8.653 1.147 1
1 140 . 11 1 1 A 22 22 ASN HA H 22 5.240 4.900 0.340 1
1 145 . 11 1 1 A 22 22 ASN C C 22 174.200 175.267 -1.067 1
1 146 . 11 1 1 A 22 22 ASN CA C 22 53.500 51.772 1.728 1
1 147 . 11 1 1 A 22 22 ASN CB C 22 43.000 41.641 1.359 1
1 149 . 11 1 1 A 22 22 ASN N N 22 116.100 119.794 -3.694 1
1 151 . 11 1 1 A 23 23 SER H H 23 8.200 8.387 -0.187 1
1 152 . 11 1 1 A 23 23 SER HA H 23 4.370 4.274 0.096 1
1 155 . 11 1 1 A 23 23 SER CA C 23 59.700 61.039 -1.339 1
1 156 . 11 1 1 A 23 23 SER CB C 23 64.500 62.815 1.685 1
1 157 . 11 1 1 A 23 23 SER N N 23 111.800 115.299 -3.499 1
1 158 . 11 1 1 A 24 24 HIS H H 24 9.070 7.438 1.632 1
1 159 . 11 1 1 A 24 24 HIS HA H 24 4.790 4.454 0.336 1
1 164 . 11 1 1 A 24 24 HIS C C 24 175.100 175.572 -0.472 1
1 165 . 11 1 1 A 24 24 HIS CA C 24 57.000 57.794 -0.794 1
1 166 . 11 1 1 A 24 24 HIS CB C 24 31.300 29.193 2.107 1
1 169 . 11 1 1 A 24 24 HIS N N 24 121.900 119.084 2.816 1
1 171 . 11 1 1 A 25 25 ASN H H 25 8.420 8.093 0.327 1
1 172 . 11 1 1 A 25 25 ASN HA H 25 4.710 4.722 -0.012 1
1 177 . 11 1 1 A 25 25 ASN C C 25 173.900 174.822 -0.922 1
1 178 . 11 1 1 A 25 25 ASN CA C 25 52.800 54.846 -2.046 1
1 179 . 11 1 1 A 25 25 ASN CB C 25 39.500 38.104 1.396 1
1 181 . 11 1 1 A 25 25 ASN N N 25 119.300 117.533 1.767 1
1 183 . 11 1 1 A 26 26 ASP H H 26 8.130 8.813 -0.683 1
1 184 . 11 1 1 A 26 26 ASP HA H 26 4.660 4.211 0.449 1
1 187 . 11 1 1 A 26 26 ASP C C 26 176.300 175.173 1.127 1
1 188 . 11 1 1 A 26 26 ASP CA C 26 53.600 56.664 -3.064 1
1 189 . 11 1 1 A 26 26 ASP CB C 26 40.900 39.292 1.608 1
1 190 . 11 1 1 A 26 26 ASP N N 26 115.800 121.067 -5.267 1
1 191 . 11 1 1 A 27 27 ALA H H 27 8.330 9.002 -0.672 1
1 192 . 11 1 1 A 27 27 ALA HA H 27 4.210 4.653 -0.443 1
1 196 . 11 1 1 A 27 27 ALA C C 27 178.500 176.553 1.947 1
1 197 . 11 1 1 A 27 27 ALA CA C 27 53.100 50.860 2.240 1
1 198 . 11 1 1 A 27 27 ALA CB C 27 19.200 19.987 -0.787 1
1 199 . 11 1 1 A 27 27 ALA N N 27 124.500 121.616 2.884 1
1 200 . 11 1 1 A 28 28 VAL H H 28 8.310 8.603 -0.293 1
1 201 . 11 1 1 A 28 28 VAL HA H 28 4.360 4.655 -0.295 1
1 209 . 11 1 1 A 28 28 VAL CA C 28 61.000 60.046 0.954 1
1 210 . 11 1 1 A 28 28 VAL CB C 28 35.000 34.834 0.166 1
1 213 . 11 1 1 A 28 28 VAL N N 28 124.500 123.182 1.318 1
1 214 . 11 1 1 A 29 29 ALA H H 29 8.460 8.254 0.206 1
1 215 . 11 1 1 A 29 29 ALA HA H 29 4.590 5.356 -0.766 1
1 219 . 11 1 1 A 29 29 ALA C C 29 175.800 175.609 0.191 1
1 220 . 11 1 1 A 29 29 ALA CA C 29 50.400 49.666 0.734 1
1 221 . 11 1 1 A 29 29 ALA CB C 29 20.100 21.573 -1.473 1
1 222 . 11 1 1 A 30 30 PHE H H 30 8.640 8.904 -0.264 1
1 223 . 11 1 1 A 30 30 PHE HA H 30 4.870 4.888 -0.018 1
1 231 . 11 1 1 A 30 30 PHE C C 30 175.800 175.449 0.351 1
1 232 . 11 1 1 A 30 30 PHE CA C 30 57.300 56.538 0.762 1
1 233 . 11 1 1 A 30 30 PHE CB C 30 41.600 41.794 -0.194 1
1 239 . 11 1 1 A 30 30 PHE N N 30 122.100 120.377 1.723 1
1 240 . 11 1 1 A 31 31 GLU H H 31 8.670 8.959 -0.289 1
1 241 . 11 1 1 A 31 31 GLU HA H 31 3.530 3.852 -0.322 1
1 246 . 11 1 1 A 31 31 GLU C C 31 174.700 175.105 -0.405 1
1 247 . 11 1 1 A 31 31 GLU CA C 31 57.200 57.300 -0.100 1
1 248 . 11 1 1 A 31 31 GLU CB C 31 27.600 27.951 -0.351 1
1 250 . 11 1 1 A 31 31 GLU N N 31 118.900 118.627 0.273 1
1 251 . 11 1 1 A 32 32 VAL H H 32 9.100 7.475 1.625 1
1 252 . 11 1 1 A 32 32 VAL HA H 32 3.770 4.375 -0.605 1
1 260 . 11 1 1 A 32 32 VAL C C 32 175.400 174.796 0.604 1
1 261 . 11 1 1 A 32 32 VAL CA C 32 62.900 61.577 1.323 1
1 262 . 11 1 1 A 32 32 VAL CB C 32 32.200 32.577 -0.377 1
1 265 . 11 1 1 A 32 32 VAL N N 32 122.300 115.381 6.919 1
1 266 . 11 1 1 A 33 33 LYS H H 33 8.330 8.825 -0.495 1
1 267 . 11 1 1 A 33 33 LYS HA H 33 4.980 4.985 -0.005 1
1 276 . 11 1 1 A 33 33 LYS C C 33 176.300 175.569 0.731 1
1 277 . 11 1 1 A 33 33 LYS CA C 33 55.700 55.068 0.632 1
1 278 . 11 1 1 A 33 33 LYS CB C 33 33.500 33.989 -0.489 1
1 282 . 11 1 1 A 33 33 LYS N N 33 128.300 125.540 2.760 1
1 283 . 11 1 1 A 34 34 LEU H H 34 9.140 8.914 0.226 1
1 284 . 11 1 1 A 34 34 LEU HA H 34 4.750 5.129 -0.379 1
1 294 . 11 1 1 A 34 34 LEU C C 34 175.000 176.189 -1.189 1
1 295 . 11 1 1 A 34 34 LEU CA C 34 52.900 53.421 -0.521 1
1 296 . 11 1 1 A 34 34 LEU CB C 34 46.700 45.233 1.467 1
1 300 . 11 1 1 A 34 34 LEU N N 34 126.700 128.600 -1.900 1
1 301 . 11 1 1 A 35 35 ALA H H 35 8.650 8.948 -0.298 1
1 302 . 11 1 1 A 35 35 ALA HA H 35 4.100 4.266 -0.166 1
1 306 . 11 1 1 A 35 35 ALA C C 35 178.000 177.953 0.047 1
1 307 . 11 1 1 A 35 35 ALA CA C 35 52.300 51.929 0.371 1
1 308 . 11 1 1 A 35 35 ALA CB C 35 19.100 19.025 0.075 1
1 309 . 11 1 1 A 35 35 ALA N N 35 126.600 126.079 0.521 1
1 310 . 11 1 1 A 36 36 LYS H H 36 8.230 8.765 -0.535 1
1 311 . 11 1 1 A 36 36 LYS HA H 36 3.710 4.132 -0.422 1
1 320 . 11 1 1 A 36 36 LYS C C 36 176.000 176.939 -0.939 1
1 321 . 11 1 1 A 36 36 LYS CA C 36 59.800 58.437 1.363 1
1 322 . 11 1 1 A 36 36 LYS CB C 36 33.200 32.026 1.174 1
1 326 . 11 1 1 A 36 36 LYS N N 36 119.200 124.966 -5.766 1
1 327 . 11 1 1 A 37 37 ASP H H 37 8.060 8.021 0.039 1
1 328 . 11 1 1 A 37 37 ASP HA H 37 4.470 4.515 -0.045 1
1 331 . 11 1 1 A 37 37 ASP C C 37 176.800 176.377 0.423 1
1 332 . 11 1 1 A 37 37 ASP CA C 37 53.000 54.212 -1.212 1
1 333 . 11 1 1 A 37 37 ASP CB C 37 39.700 39.733 -0.033 1
1 334 . 11 1 1 A 37 37 ASP N N 37 112.700 116.121 -3.421 1
1 335 . 11 1 1 A 38 38 LEU H H 38 7.170 7.021 0.149 1
1 336 . 11 1 1 A 38 38 LEU HA H 38 4.280 4.221 0.059 1
1 346 . 11 1 1 A 38 38 LEU C C 38 177.600 177.158 0.442 1
1 347 . 11 1 1 A 38 38 LEU CA C 38 55.800 54.837 0.963 1
1 348 . 11 1 1 A 38 38 LEU CB C 38 43.900 42.709 1.191 1
1 352 . 11 1 1 A 38 38 LEU N N 38 122.100 122.442 -0.342 1
1 353 . 11 1 1 A 39 39 THR H H 39 8.430 8.579 -0.149 1
1 354 . 11 1 1 A 39 39 THR HA H 39 5.010 4.805 0.205 1
1 360 . 11 1 1 A 39 39 THR C C 39 176.500 176.276 0.224 1
1 361 . 11 1 1 A 39 39 THR CA C 39 60.900 60.462 0.438 1
1 362 . 11 1 1 A 39 39 THR CB C 39 71.200 71.296 -0.096 1
1 364 . 11 1 1 A 39 39 THR N N 39 112.800 115.015 -2.215 1
1 365 . 11 1 1 A 40 40 VAL H H 40 8.740 8.413 0.327 1
1 366 . 11 1 1 A 40 40 VAL HA H 40 3.530 3.683 -0.153 1
1 374 . 11 1 1 A 40 40 VAL C C 40 178.200 177.357 0.843 1
1 375 . 11 1 1 A 40 40 VAL CA C 40 67.300 66.777 0.523 1
1 376 . 11 1 1 A 40 40 VAL CB C 40 31.600 31.729 -0.129 1
1 379 . 11 1 1 A 40 40 VAL N N 40 123.600 122.300 1.300 1
1 380 . 11 1 1 A 41 41 ALA H H 41 8.520 8.204 0.316 1
1 381 . 11 1 1 A 41 41 ALA HA H 41 3.950 3.929 0.021 1
1 385 . 11 1 1 A 41 41 ALA C C 41 180.700 179.951 0.749 1
1 386 . 11 1 1 A 41 41 ALA CA C 41 56.100 55.732 0.368 1
1 387 . 11 1 1 A 41 41 ALA CB C 41 18.800 18.263 0.537 1
1 388 . 11 1 1 A 41 41 ALA N N 41 121.400 122.143 -0.743 1
1 389 . 11 1 1 A 42 42 GLN H H 42 7.740 7.637 0.103 1
1 390 . 11 1 1 A 42 42 GLN HA H 42 4.060 4.043 0.017 1
1 397 . 11 1 1 A 42 42 GLN C C 42 180.300 178.690 1.610 1
1 398 . 11 1 1 A 42 42 GLN CA C 42 58.600 58.812 -0.212 1
1 399 . 11 1 1 A 42 42 GLN CB C 42 29.200 28.552 0.648 1
1 402 . 11 1 1 A 42 42 GLN N N 42 117.500 118.092 -0.592 1
1 404 . 11 1 1 A 43 43 LEU H H 43 9.210 7.993 1.217 1
1 405 . 11 1 1 A 43 43 LEU HA H 43 3.940 4.116 -0.176 1
1 415 . 11 1 1 A 43 43 LEU C C 43 178.300 178.680 -0.380 1
1 416 . 11 1 1 A 43 43 LEU CA C 43 57.900 57.808 0.092 1
1 417 . 11 1 1 A 43 43 LEU CB C 43 41.300 41.701 -0.401 1
1 421 . 11 1 1 A 43 43 LEU N N 43 123.000 121.915 1.085 1
1 422 . 11 1 1 A 44 44 LYS H H 44 8.740 8.011 0.729 1
1 423 . 11 1 1 A 44 44 LYS HA H 44 3.860 3.950 -0.090 1
1 432 . 11 1 1 A 44 44 LYS C C 44 178.300 179.088 -0.788 1
1 433 . 11 1 1 A 44 44 LYS CA C 44 61.100 59.438 1.662 1
1 434 . 11 1 1 A 44 44 LYS CB C 44 32.800 32.231 0.569 1
1 438 . 11 1 1 A 44 44 LYS N N 44 119.300 118.787 0.513 1
1 439 . 11 1 1 A 45 45 THR H H 45 7.440 7.794 -0.354 1
1 440 . 11 1 1 A 45 45 THR HA H 45 3.930 3.856 0.074 1
1 445 . 11 1 1 A 45 45 THR C C 45 176.700 176.441 0.259 1
1 446 . 11 1 1 A 45 45 THR CA C 45 67.100 67.175 -0.075 1
1 447 . 11 1 1 A 45 45 THR CB C 45 68.800 68.316 0.484 1
1 449 . 11 1 1 A 45 45 THR N N 45 114.000 118.176 -4.176 1
1 450 . 11 1 1 A 46 46 LYS H H 46 7.500 7.762 -0.262 1
1 451 . 11 1 1 A 46 46 LYS HA H 46 4.100 4.012 0.088 1
1 460 . 11 1 1 A 46 46 LYS C C 46 179.700 179.595 0.105 1
1 461 . 11 1 1 A 46 46 LYS CA C 46 59.400 59.901 -0.501 1
1 462 . 11 1 1 A 46 46 LYS CB C 46 32.100 32.297 -0.197 1
1 466 . 11 1 1 A 46 46 LYS N N 46 121.700 120.336 1.364 1
1 467 . 11 1 1 A 47 47 LEU H H 47 9.010 8.415 0.595 1
1 468 . 11 1 1 A 47 47 LEU HA H 47 4.040 3.949 0.091 1
1 478 . 11 1 1 A 47 47 LEU C C 47 180.000 178.798 1.202 1
1 479 . 11 1 1 A 47 47 LEU CA C 47 57.200 58.050 -0.850 1
1 480 . 11 1 1 A 47 47 LEU CB C 47 40.700 41.227 -0.527 1
1 484 . 11 1 1 A 47 47 LEU N N 47 118.000 119.737 -1.737 1
1 485 . 11 1 1 A 48 48 GLU H H 48 8.450 8.669 -0.219 1
1 486 . 11 1 1 A 48 48 GLU HA H 48 4.050 4.016 0.034 1
1 491 . 11 1 1 A 48 48 GLU C C 48 178.800 179.435 -0.635 1
1 492 . 11 1 1 A 48 48 GLU CA C 48 59.700 59.350 0.350 1
1 493 . 11 1 1 A 48 48 GLU CB C 48 29.400 29.590 -0.190 1
1 495 . 11 1 1 A 48 48 GLU N N 48 126.300 120.229 6.071 1
1 496 . 11 1 1 A 49 49 ILE H H 49 7.180 7.633 -0.453 1
1 497 . 11 1 1 A 49 49 ILE HA H 49 3.780 3.680 0.100 1
1 507 . 11 1 1 A 49 49 ILE C C 49 178.000 178.317 -0.317 1
1 508 . 11 1 1 A 49 49 ILE CA C 49 64.000 65.311 -1.311 1
1 509 . 11 1 1 A 49 49 ILE CB C 49 38.100 37.749 0.351 1
1 513 . 11 1 1 A 49 49 ILE N N 49 119.600 119.830 -0.230 1
1 514 . 11 1 1 A 50 50 LEU H H 50 7.520 8.063 -0.543 1
1 515 . 11 1 1 A 50 50 LEU HA H 50 4.160 3.950 0.210 1
1 525 . 11 1 1 A 50 50 LEU C C 50 178.400 178.587 -0.187 1
1 526 . 11 1 1 A 50 50 LEU CA C 50 57.500 58.104 -0.604 1
1 527 . 11 1 1 A 50 50 LEU CB C 50 44.300 41.692 2.608 1
1 531 . 11 1 1 A 50 50 LEU N N 50 116.800 121.517 -4.717 1
1 532 . 11 1 1 A 51 51 THR H H 51 8.160 8.429 -0.269 1
1 533 . 11 1 1 A 51 51 THR HA H 51 4.490 4.438 0.052 1
1 538 . 11 1 1 A 51 51 THR C C 51 175.600 176.027 -0.427 1
1 539 . 11 1 1 A 51 51 THR CA C 51 62.400 62.256 0.144 1
1 540 . 11 1 1 A 51 51 THR CB C 51 72.900 70.673 2.227 1
1 542 . 11 1 1 A 51 51 THR N N 51 104.100 107.173 -3.073 1
1 543 . 11 1 1 A 52 52 GLY H H 52 8.080 8.405 -0.325 1
1 544 . 11 1 1 A 52 52 GLY HA2 H 52 3.830 3.954 -0.124 1
1 545 . 11 1 1 A 52 52 GLY HA3 H 52 4.250 3.957 0.293 1
1 546 . 11 1 1 A 52 52 GLY C C 52 174.800 174.737 0.063 1
1 547 . 11 1 1 A 52 52 GLY CA C 52 45.500 45.853 -0.353 1
1 548 . 11 1 1 A 52 52 GLY N N 52 112.100 112.296 -0.196 1
1 549 . 11 1 1 A 53 53 GLY H H 53 7.880 8.005 -0.125 1
1 550 . 11 1 1 A 53 53 GLY HA2 H 53 3.220 4.054 -0.834 1
1 551 . 11 1 1 A 53 53 GLY HA3 H 53 4.040 4.065 -0.025 1
1 552 . 11 1 1 A 53 53 GLY C C 53 170.900 173.291 -2.391 1
1 553 . 11 1 1 A 53 53 GLY CA C 53 44.300 44.174 0.126 1
1 554 . 11 1 1 A 53 53 GLY N N 53 107.000 108.132 -1.132 1
1 555 . 11 1 1 A 54 54 CYS H H 54 8.690 8.546 0.144 1
1 556 . 11 1 1 A 54 54 CYS HA H 54 4.430 5.266 -0.836 1
1 559 . 11 1 1 A 54 54 CYS C C 54 176.100 174.752 1.348 1
1 560 . 11 1 1 A 54 54 CYS CA C 54 57.900 57.190 0.710 1
1 561 . 11 1 1 A 54 54 CYS CB C 54 27.800 29.101 -1.301 1
1 562 . 11 1 1 A 54 54 CYS N N 54 120.200 119.398 0.802 1
1 563 . 11 1 1 A 55 55 ALA H H 55 10.100 9.064 1.036 1
1 564 . 11 1 1 A 55 55 ALA HA H 55 3.890 3.935 -0.045 1
1 568 . 11 1 1 A 55 55 ALA C C 55 178.900 179.325 -0.425 1
1 569 . 11 1 1 A 55 55 ALA CA C 55 55.700 55.117 0.583 1
1 570 . 11 1 1 A 55 55 ALA CB C 55 18.500 18.504 -0.004 1
1 571 . 11 1 1 A 55 55 ALA N N 55 133.900 127.579 6.321 1
1 572 . 11 1 1 A 56 56 GLY H H 56 8.380 8.364 0.016 1
1 573 . 11 1 1 A 56 56 GLY HA2 H 56 3.910 3.972 -0.062 1
1 574 . 11 1 1 A 56 56 GLY HA3 H 56 3.910 3.974 -0.064 1
1 575 . 11 1 1 A 56 56 GLY C C 56 174.600 174.562 0.038 1
1 576 . 11 1 1 A 56 56 GLY CA C 56 45.900 46.247 -0.347 1
1 577 . 11 1 1 A 56 56 GLY N N 56 104.300 105.513 -1.213 1
1 578 . 11 1 1 A 57 57 THR H H 57 7.310 7.945 -0.635 1
1 579 . 11 1 1 A 57 57 THR HA H 57 4.520 4.615 -0.095 1
1 584 . 11 1 1 A 57 57 THR C C 57 175.500 174.193 1.307 1
1 585 . 11 1 1 A 57 57 THR CA C 57 61.400 61.369 0.031 1
1 586 . 11 1 1 A 57 57 THR CB C 57 69.900 71.270 -1.370 1
1 588 . 11 1 1 A 57 57 THR N N 57 107.700 114.251 -6.551 1
1 589 . 11 1 1 A 58 58 MET H H 58 7.910 7.253 0.657 1
1 590 . 11 1 1 A 58 58 MET HA H 58 4.540 4.489 0.051 1
1 598 . 11 1 1 A 58 58 MET C C 58 175.100 175.934 -0.834 1
1 599 . 11 1 1 A 58 58 MET CA C 58 56.900 55.490 1.410 1
1 600 . 11 1 1 A 58 58 MET CB C 58 33.700 33.664 0.036 1
1 603 . 11 1 1 A 58 58 MET N N 58 120.700 122.182 -1.482 1
1 604 . 11 1 1 A 59 59 LYS H H 59 8.780 8.424 0.356 1
1 605 . 11 1 1 A 59 59 LYS HA H 59 4.610 5.137 -0.527 1
1 614 . 11 1 1 A 59 59 LYS C C 59 174.500 175.115 -0.615 1
1 615 . 11 1 1 A 59 59 LYS CA C 59 54.500 54.825 -0.325 1
1 616 . 11 1 1 A 59 59 LYS CB C 59 34.700 35.802 -1.102 1
1 620 . 11 1 1 A 59 59 LYS N N 59 122.400 125.385 -2.985 1
1 621 . 11 1 1 A 60 60 VAL H H 60 8.740 8.739 0.001 1
1 622 . 11 1 1 A 60 60 VAL HA H 60 4.700 4.949 -0.249 1
1 630 . 11 1 1 A 60 60 VAL C C 60 175.000 175.182 -0.182 1
1 631 . 11 1 1 A 60 60 VAL CA C 60 61.300 60.884 0.416 1
1 632 . 11 1 1 A 60 60 VAL CB C 60 33.400 34.134 -0.734 1
1 635 . 11 1 1 A 60 60 VAL N N 60 122.100 123.368 -1.268 1
1 636 . 11 1 1 A 61 61 GLN H H 61 9.250 8.720 0.530 1
1 637 . 11 1 1 A 61 61 GLN HA H 61 4.790 4.977 -0.187 1
1 644 . 11 1 1 A 61 61 GLN C C 61 174.700 174.614 0.086 1
1 645 . 11 1 1 A 61 61 GLN CA C 61 54.200 54.102 0.098 1
1 646 . 11 1 1 A 61 61 GLN CB C 61 32.800 32.055 0.745 1
1 649 . 11 1 1 A 61 61 GLN N N 61 126.400 126.057 0.343 1
1 651 . 11 1 1 A 62 62 VAL H H 62 8.690 8.222 0.468 1
1 652 . 11 1 1 A 62 62 VAL HA H 62 4.650 4.576 0.074 1
1 660 . 11 1 1 A 62 62 VAL C C 62 174.700 175.094 -0.394 1
1 661 . 11 1 1 A 62 62 VAL CA C 62 61.800 61.583 0.217 1
1 662 . 11 1 1 A 62 62 VAL CB C 62 32.500 32.011 0.489 1
1 665 . 11 1 1 A 62 62 VAL N N 62 121.700 123.706 -2.006 1
1 666 . 11 1 1 A 63 63 PHE H H 63 10.020 9.134 0.886 1
1 667 . 11 1 1 A 63 63 PHE HA H 63 5.170 5.196 -0.026 1
1 675 . 11 1 1 A 63 63 PHE C C 63 175.100 174.547 0.553 1
1 676 . 11 1 1 A 63 63 PHE CA C 63 56.800 55.854 0.946 1
1 677 . 11 1 1 A 63 63 PHE CB C 63 42.900 43.407 -0.507 1
1 683 . 11 1 1 A 63 63 PHE N N 63 127.100 125.993 1.107 1
1 684 . 11 1 1 A 64 64 LYS H H 64 8.710 8.514 0.196 1
1 685 . 11 1 1 A 64 64 LYS HA H 64 4.650 4.630 0.020 1
1 694 . 11 1 1 A 64 64 LYS C C 64 176.900 176.629 0.271 1
1 695 . 11 1 1 A 64 64 LYS CA C 64 55.100 54.902 0.198 1
1 696 . 11 1 1 A 64 64 LYS CB C 64 34.100 33.437 0.663 1
1 700 . 11 1 1 A 64 64 LYS N N 64 123.900 123.457 0.443 1
1 701 . 11 1 1 A 65 65 GLY H H 65 9.160 8.966 0.194 1
1 702 . 11 1 1 A 65 65 GLY HA2 H 65 3.680 3.872 -0.192 1
1 703 . 11 1 1 A 65 65 GLY HA3 H 65 4.050 3.878 0.172 1
1 704 . 11 1 1 A 65 65 GLY C C 65 174.600 174.501 0.099 1
1 705 . 11 1 1 A 65 65 GLY CA C 65 47.200 46.862 0.338 1
1 706 . 11 1 1 A 65 65 GLY N N 65 118.800 115.048 3.752 1
1 707 . 11 1 1 A 66 66 ASP H H 66 8.760 8.693 0.067 1
1 708 . 11 1 1 A 66 66 ASP HA H 66 4.700 4.752 -0.052 1
1 711 . 11 1 1 A 66 66 ASP C C 66 176.000 174.824 1.176 1
1 712 . 11 1 1 A 66 66 ASP CA C 66 54.300 54.165 0.135 1
1 713 . 11 1 1 A 66 66 ASP CB C 66 41.300 41.297 0.003 1
1 714 . 11 1 1 A 66 66 ASP N N 66 126.400 126.723 -0.323 1
1 715 . 11 1 1 A 67 67 THR H H 67 8.020 7.598 0.422 1
1 716 . 11 1 1 A 67 67 THR HA H 67 4.300 4.967 -0.667 1
1 721 . 11 1 1 A 67 67 THR C C 67 172.100 173.519 -1.419 1
1 722 . 11 1 1 A 67 67 THR CA C 67 62.400 61.446 0.954 1
1 723 . 11 1 1 A 67 67 THR CB C 67 70.700 71.352 -0.652 1
1 725 . 11 1 1 A 67 67 THR N N 67 117.500 115.184 2.316 1
1 726 . 11 1 1 A 68 68 CYS H H 68 8.940 8.874 0.066 1
1 727 . 11 1 1 A 68 68 CYS HA H 68 3.400 4.489 -1.089 1
1 730 . 11 1 1 A 68 68 CYS C C 68 174.900 175.231 -0.331 1
1 731 . 11 1 1 A 68 68 CYS CA C 68 58.700 58.788 -0.088 1
1 732 . 11 1 1 A 68 68 CYS CB C 68 25.600 27.535 -1.935 1
1 733 . 11 1 1 A 68 68 CYS N N 68 129.500 124.911 4.589 1
1 734 . 11 1 1 A 69 69 VAL H H 69 9.090 8.700 0.390 1
1 735 . 11 1 1 A 69 69 VAL HA H 69 4.150 3.865 0.285 1
1 743 . 11 1 1 A 69 69 VAL C C 69 176.300 175.388 0.912 1
1 744 . 11 1 1 A 69 69 VAL CA C 69 62.900 64.413 -1.513 1
1 745 . 11 1 1 A 69 69 VAL CB C 69 32.800 32.045 0.755 1
1 748 . 11 1 1 A 69 69 VAL N N 69 127.500 125.860 1.640 1
1 749 . 11 1 1 A 70 70 SER H H 70 7.640 7.506 0.134 1
1 750 . 11 1 1 A 70 70 SER HA H 70 4.550 4.674 -0.124 1
1 753 . 11 1 1 A 70 70 SER C C 70 172.300 171.827 0.473 1
1 754 . 11 1 1 A 70 70 SER CA C 70 58.700 57.781 0.919 1
1 755 . 11 1 1 A 70 70 SER CB C 70 65.100 66.621 -1.521 1
1 756 . 11 1 1 A 70 70 SER N N 70 113.400 112.727 0.673 1
1 757 . 11 1 1 A 71 71 THR H H 71 8.220 8.503 -0.283 1
1 758 . 11 1 1 A 71 71 THR HA H 71 4.580 4.775 -0.195 1
1 763 . 11 1 1 A 71 71 THR C C 71 174.000 174.426 -0.426 1
1 764 . 11 1 1 A 71 71 THR CA C 71 61.800 61.130 0.670 1
1 765 . 11 1 1 A 71 71 THR CB C 71 70.500 71.064 -0.564 1
1 767 . 11 1 1 A 71 71 THR N N 71 114.500 115.613 -1.113 1
1 768 . 11 1 1 A 72 72 MET H H 72 8.260 8.783 -0.523 1
1 769 . 11 1 1 A 72 72 MET HA H 72 2.990 3.812 -0.822 1
1 777 . 11 1 1 A 72 72 MET C C 72 175.700 176.292 -0.592 1
1 778 . 11 1 1 A 72 72 MET CA C 72 55.100 53.958 1.142 1
1 779 . 11 1 1 A 72 72 MET CB C 72 30.200 30.734 -0.534 1
1 782 . 11 1 1 A 72 72 MET N N 72 121.800 125.049 -3.249 1
1 783 . 11 1 1 A 73 73 ASP H H 73 7.830 8.398 -0.568 1
1 784 . 11 1 1 A 73 73 ASP HA H 73 4.370 4.639 -0.269 1
1 787 . 11 1 1 A 73 73 ASP C C 73 175.100 175.438 -0.338 1
1 788 . 11 1 1 A 73 73 ASP CA C 73 55.800 54.272 1.528 1
1 789 . 11 1 1 A 73 73 ASP CB C 73 41.800 41.264 0.536 1
1 790 . 11 1 1 A 73 73 ASP N N 73 125.100 122.841 2.259 1
1 791 . 11 1 1 A 74 74 ASN H H 74 7.480 7.724 -0.244 1
1 792 . 11 1 1 A 74 74 ASN HA H 74 4.890 4.769 0.121 1
1 797 . 11 1 1 A 74 74 ASN C C 74 175.800 175.765 0.035 1
1 798 . 11 1 1 A 74 74 ASN CA C 74 51.600 52.303 -0.703 1
1 799 . 11 1 1 A 74 74 ASN CB C 74 38.800 38.865 -0.065 1
1 801 . 11 1 1 A 74 74 ASN N N 74 116.400 118.452 -2.052 1
1 803 . 11 1 1 A 75 75 ASN H H 75 8.870 8.930 -0.060 1
1 804 . 11 1 1 A 75 75 ASN HA H 75 4.390 4.456 -0.066 1
1 809 . 11 1 1 A 75 75 ASN C C 75 175.700 176.951 -1.251 1
1 810 . 11 1 1 A 75 75 ASN CA C 75 55.600 56.141 -0.541 1
1 811 . 11 1 1 A 75 75 ASN CB C 75 39.200 38.204 0.996 1
1 813 . 11 1 1 A 75 75 ASN N N 75 123.600 124.375 -0.775 1
1 815 . 11 1 1 A 76 76 ASP H H 76 8.060 7.823 0.237 1
1 816 . 11 1 1 A 76 76 ASP HA H 76 4.750 4.587 0.163 1
1 819 . 11 1 1 A 76 76 ASP C C 76 176.200 176.411 -0.211 1
1 820 . 11 1 1 A 76 76 ASP CA C 76 54.200 55.328 -1.128 1
1 821 . 11 1 1 A 76 76 ASP CB C 76 41.700 40.703 0.997 1
1 822 . 11 1 1 A 76 76 ASP N N 76 115.100 117.092 -1.992 1
1 823 . 11 1 1 A 77 77 ALA H H 77 7.140 7.244 -0.104 1
1 824 . 11 1 1 A 77 77 ALA HA H 77 4.160 4.185 -0.025 1
1 828 . 11 1 1 A 77 77 ALA C C 77 176.100 177.342 -1.242 1
1 829 . 11 1 1 A 77 77 ALA CA C 77 51.400 51.745 -0.345 1
1 830 . 11 1 1 A 77 77 ALA CB C 77 20.100 19.613 0.487 1
1 831 . 11 1 1 A 77 77 ALA N N 77 122.600 122.892 -0.292 1
1 832 . 11 1 1 A 78 78 GLN H H 78 8.090 8.980 -0.890 1
1 833 . 11 1 1 A 78 78 GLN HA H 78 4.750 4.465 0.285 1
1 840 . 11 1 1 A 78 78 GLN C C 78 177.900 177.684 0.216 1
1 841 . 11 1 1 A 78 78 GLN CA C 78 55.200 55.357 -0.157 1
1 842 . 11 1 1 A 78 78 GLN CB C 78 29.500 29.619 -0.119 1
1 845 . 11 1 1 A 78 78 GLN N N 78 116.500 120.400 -3.900 1
1 847 . 11 1 1 A 79 79 LEU H H 79 9.380 9.177 0.203 1
1 848 . 11 1 1 A 79 79 LEU HA H 79 4.060 4.186 -0.126 1
1 858 . 11 1 1 A 79 79 LEU C C 79 179.200 179.133 0.067 1
1 859 . 11 1 1 A 79 79 LEU CA C 79 58.900 57.996 0.904 1
1 860 . 11 1 1 A 79 79 LEU CB C 79 42.000 41.573 0.427 1
1 864 . 11 1 1 A 79 79 LEU N N 79 123.800 126.325 -2.525 1
1 865 . 11 1 1 A 80 80 GLY H H 80 9.130 7.939 1.191 1
1 866 . 11 1 1 A 80 80 GLY HA2 H 80 3.750 3.926 -0.176 1
1 867 . 11 1 1 A 80 80 GLY HA3 H 80 4.160 3.950 0.210 1
1 868 . 11 1 1 A 80 80 GLY C C 80 174.100 174.935 -0.835 1
1 869 . 11 1 1 A 80 80 GLY CA C 80 45.600 46.213 -0.613 1
1 870 . 11 1 1 A 80 80 GLY N N 80 104.000 106.196 -2.196 1
1 871 . 11 1 1 A 81 81 TYR H H 81 7.900 8.028 -0.128 1
1 872 . 11 1 1 A 81 81 TYR HA H 81 4.000 3.911 0.089 1
1 879 . 11 1 1 A 81 81 TYR C C 81 176.300 176.656 -0.356 1
1 880 . 11 1 1 A 81 81 TYR CA C 81 60.600 60.725 -0.125 1
1 881 . 11 1 1 A 81 81 TYR CB C 81 38.700 38.125 0.575 1
1 886 . 11 1 1 A 81 81 TYR N N 81 120.300 122.462 -2.162 1
1 887 . 11 1 1 A 82 82 TYR H H 82 7.430 7.858 -0.428 1
1 888 . 11 1 1 A 82 82 TYR HA H 82 4.340 4.651 -0.311 1
1 895 . 11 1 1 A 82 82 TYR C C 82 175.500 176.612 -1.112 1
1 896 . 11 1 1 A 82 82 TYR CA C 82 58.700 58.937 -0.237 1
1 897 . 11 1 1 A 82 82 TYR CB C 82 41.500 40.421 1.079 1
1 902 . 11 1 1 A 82 82 TYR N N 82 114.000 114.952 -0.952 1
1 903 . 11 1 1 A 83 83 ALA H H 83 8.430 7.587 0.843 1
1 904 . 11 1 1 A 83 83 ALA HA H 83 4.380 4.512 -0.132 1
1 908 . 11 1 1 A 83 83 ALA C C 83 173.400 177.613 -4.213 1
1 909 . 11 1 1 A 83 83 ALA CA C 83 51.000 50.703 0.297 1
1 910 . 11 1 1 A 83 83 ALA CB C 83 19.500 18.200 1.300 1
1 911 . 11 1 1 A 83 83 ALA N N 83 122.900 121.301 1.599 1
1 912 . 11 1 1 A 84 84 ASN H H 84 8.050 8.606 -0.556 1
1 913 . 11 1 1 A 84 84 ASN HA H 84 4.760 4.819 -0.059 1
1 918 . 11 1 1 A 84 84 ASN C C 84 174.600 174.285 0.315 1
1 919 . 11 1 1 A 84 84 ASN CA C 84 52.200 52.715 -0.515 1
1 920 . 11 1 1 A 84 84 ASN CB C 84 39.300 38.279 1.021 1
1 922 . 11 1 1 A 84 84 ASN N N 84 117.300 119.087 -1.787 1
1 924 . 11 1 1 A 85 85 SER H H 85 7.180 7.729 -0.549 1
1 925 . 11 1 1 A 85 85 SER HA H 85 4.670 5.028 -0.358 1
1 928 . 11 1 1 A 85 85 SER C C 85 172.000 173.358 -1.358 1
1 929 . 11 1 1 A 85 85 SER CA C 85 56.900 57.476 -0.576 1
1 930 . 11 1 1 A 85 85 SER CB C 85 66.000 66.295 -0.295 1
1 931 . 11 1 1 A 85 85 SER N N 85 112.200 114.933 -2.733 1
1 932 . 11 1 1 A 86 86 ASP H H 86 8.320 8.775 -0.455 1
1 933 . 11 1 1 A 86 86 ASP HA H 86 4.920 4.867 0.053 1
1 936 . 11 1 1 A 86 86 ASP C C 86 178.100 176.559 1.541 1
1 937 . 11 1 1 A 86 86 ASP CA C 86 55.000 53.298 1.702 1
1 938 . 11 1 1 A 86 86 ASP CB C 86 42.000 41.785 0.215 1
1 939 . 11 1 1 A 86 86 ASP N N 86 119.100 123.724 -4.624 1
1 940 . 11 1 1 A 87 87 GLY H H 87 8.910 8.601 0.309 1
1 941 . 11 1 1 A 87 87 GLY HA2 H 87 3.850 3.993 -0.143 1
1 942 . 11 1 1 A 87 87 GLY HA3 H 87 4.110 4.001 0.109 1
1 943 . 11 1 1 A 87 87 GLY C C 87 175.400 174.391 1.009 1
1 944 . 11 1 1 A 87 87 GLY CA C 87 46.100 45.314 0.786 1
1 945 . 11 1 1 A 87 87 GLY N N 87 107.900 110.175 -2.275 1
1 946 . 11 1 1 A 88 88 LEU H H 88 8.290 7.877 0.413 1
1 947 . 11 1 1 A 88 88 LEU HA H 88 4.740 4.574 0.166 1
1 957 . 11 1 1 A 88 88 LEU C C 88 175.000 176.033 -1.033 1
1 958 . 11 1 1 A 88 88 LEU CA C 88 54.500 54.570 -0.070 1
1 959 . 11 1 1 A 88 88 LEU CB C 88 43.200 42.679 0.521 1
1 963 . 11 1 1 A 88 88 LEU N N 88 120.300 122.968 -2.668 1
1 964 . 11 1 1 A 89 89 ARG H H 89 8.880 8.485 0.395 1
1 965 . 11 1 1 A 89 89 ARG HA H 89 5.300 5.265 0.035 1
1 973 . 11 1 1 A 89 89 ARG C C 89 174.900 174.468 0.432 1
1 974 . 11 1 1 A 89 89 ARG CA C 89 53.600 54.544 -0.944 1
1 975 . 11 1 1 A 89 89 ARG CB C 89 34.300 34.056 0.244 1
1 979 . 11 1 1 A 89 89 ARG N N 89 121.200 122.498 -1.298 1
1 981 . 11 1 1 A 90 90 LEU H H 90 9.250 9.169 0.081 1
1 982 . 11 1 1 A 90 90 LEU HA H 90 5.270 5.158 0.112 1
1 992 . 11 1 1 A 90 90 LEU C C 90 173.700 174.993 -1.293 1
1 993 . 11 1 1 A 90 90 LEU CA C 90 52.900 53.340 -0.440 1
1 994 . 11 1 1 A 90 90 LEU CB C 90 42.000 43.762 -1.762 1
1 998 . 11 1 1 A 90 90 LEU N N 90 125.500 127.616 -2.116 1
1 999 . 11 1 1 A 91 91 HIS H H 91 9.600 8.913 0.687 1
1 1000 . 11 1 1 A 91 91 HIS HA H 91 5.280 5.516 -0.236 1
1 1005 . 11 1 1 A 91 91 HIS C C 91 174.300 173.319 0.981 1
1 1006 . 11 1 1 A 91 91 HIS CA C 91 54.500 53.347 1.153 1
1 1007 . 11 1 1 A 91 91 HIS CB C 91 35.200 32.178 3.022 1
1 1010 . 11 1 1 A 91 91 HIS N N 91 124.800 124.856 -0.056 1
1 1013 . 11 1 1 A 92 92 VAL H H 92 8.300 8.698 -0.398 1
1 1014 . 11 1 1 A 92 92 VAL HA H 92 4.110 4.582 -0.472 1
1 1022 . 11 1 1 A 92 92 VAL C C 92 174.200 175.079 -0.879 1
1 1023 . 11 1 1 A 92 92 VAL CA C 92 62.900 61.871 1.029 1
1 1024 . 11 1 1 A 92 92 VAL CB C 92 32.600 32.398 0.202 1
1 1027 . 11 1 1 A 92 92 VAL N N 92 128.400 128.524 -0.124 1
1 1028 . 11 1 1 A 93 93 VAL H H 93 8.950 8.839 0.111 1
1 1029 . 11 1 1 A 93 93 VAL HA H 93 4.170 4.443 -0.273 1
1 1037 . 11 1 1 A 93 93 VAL C C 93 175.600 174.073 1.527 1
1 1038 . 11 1 1 A 93 93 VAL CA C 93 61.100 61.237 -0.137 1
1 1039 . 11 1 1 A 93 93 VAL CB C 93 33.300 32.930 0.370 1
1 1042 . 11 1 1 A 93 93 VAL N N 93 127.800 128.476 -0.676 1
1 1043 . 11 1 1 A 94 94 ASP H H 94 8.280 8.663 -0.383 1
1 1044 . 11 1 1 A 94 94 ASP HA H 94 4.850 5.091 -0.241 1
1 1047 . 11 1 1 A 94 94 ASP C C 94 174.700 175.893 -1.193 1
1 1048 . 11 1 1 A 94 94 ASP CA C 94 53.800 52.913 0.887 1
1 1049 . 11 1 1 A 94 94 ASP CB C 94 42.500 43.382 -0.882 1
1 1050 . 11 1 1 A 94 94 ASP N N 94 127.100 128.350 -1.250 1
1 1 . 12 1 1 A 11 11 GLY C C 11 174.100 172.736 1.364 1
1 2 . 12 1 1 A 11 11 GLY CA C 11 45.300 45.918 -0.618 1
1 3 . 12 1 1 A 12 12 LYS H H 12 8.180 8.469 -0.289 1
1 4 . 12 1 1 A 12 12 LYS HA H 12 4.320 5.143 -0.823 1
1 13 . 12 1 1 A 12 12 LYS C C 12 176.700 175.010 1.690 1
1 14 . 12 1 1 A 12 12 LYS CA C 12 56.400 55.170 1.230 1
1 15 . 12 1 1 A 12 12 LYS CB C 12 33.200 35.004 -1.804 1
1 19 . 12 1 1 A 12 12 LYS N N 12 120.600 119.263 1.337 1
1 20 . 12 1 1 A 13 13 SER H H 13 8.360 9.286 -0.926 1
1 21 . 12 1 1 A 13 13 SER HA H 13 4.450 4.794 -0.344 1
1 24 . 12 1 1 A 13 13 SER C C 13 173.800 174.914 -1.114 1
1 25 . 12 1 1 A 13 13 SER CA C 13 58.000 59.466 -1.466 1
1 26 . 12 1 1 A 13 13 SER CB C 13 63.900 65.444 -1.544 1
1 27 . 12 1 1 A 13 13 SER N N 13 116.300 116.472 -0.172 1
1 28 . 12 1 1 A 14 14 ASP H H 14 8.450 8.313 0.137 1
1 29 . 12 1 1 A 14 14 ASP HA H 14 4.670 4.592 0.078 1
1 32 . 12 1 1 A 14 14 ASP C C 14 175.100 175.306 -0.206 1
1 33 . 12 1 1 A 14 14 ASP CA C 14 54.400 54.390 0.010 1
1 34 . 12 1 1 A 14 14 ASP CB C 14 41.500 41.062 0.438 1
1 35 . 12 1 1 A 14 14 ASP N N 14 122.400 118.461 3.939 1
1 36 . 12 1 1 A 15 15 PHE H H 15 8.110 7.653 0.457 1
1 37 . 12 1 1 A 15 15 PHE HA H 15 5.290 5.172 0.118 1
1 45 . 12 1 1 A 15 15 PHE C C 15 175.000 175.236 -0.236 1
1 46 . 12 1 1 A 15 15 PHE CA C 15 56.600 56.518 0.082 1
1 47 . 12 1 1 A 15 15 PHE CB C 15 42.600 41.665 0.935 1
1 53 . 12 1 1 A 15 15 PHE N N 15 118.500 117.921 0.579 1
1 54 . 12 1 1 A 16 16 ILE H H 16 9.160 8.591 0.569 1
1 55 . 12 1 1 A 16 16 ILE HA H 16 4.710 5.053 -0.343 1
1 65 . 12 1 1 A 16 16 ILE C C 16 173.400 174.336 -0.936 1
1 66 . 12 1 1 A 16 16 ILE CA C 16 59.300 59.212 0.088 1
1 67 . 12 1 1 A 16 16 ILE CB C 16 42.100 42.059 0.041 1
1 71 . 12 1 1 A 16 16 ILE N N 16 116.700 116.285 0.415 1
1 72 . 12 1 1 A 17 17 LYS H H 17 8.530 8.479 0.051 1
1 73 . 12 1 1 A 17 17 LYS HA H 17 5.220 5.038 0.182 1
1 82 . 12 1 1 A 17 17 LYS C C 17 176.400 175.903 0.497 1
1 83 . 12 1 1 A 17 17 LYS CA C 17 54.900 55.598 -0.698 1
1 84 . 12 1 1 A 17 17 LYS CB C 17 34.100 33.524 0.576 1
1 88 . 12 1 1 A 17 17 LYS N N 17 123.200 122.967 0.233 1
1 89 . 12 1 1 A 18 18 VAL H H 18 8.900 8.960 -0.060 1
1 90 . 12 1 1 A 18 18 VAL HA H 18 4.990 4.987 0.003 1
1 98 . 12 1 1 A 18 18 VAL C C 18 174.300 174.337 -0.037 1
1 99 . 12 1 1 A 18 18 VAL CA C 18 58.600 58.711 -0.111 1
1 100 . 12 1 1 A 18 18 VAL CB C 18 35.600 36.093 -0.493 1
1 103 . 12 1 1 A 18 18 VAL N N 18 117.500 117.719 -0.219 1
1 104 . 12 1 1 A 19 19 ASN H H 19 7.830 8.444 -0.614 1
1 105 . 12 1 1 A 19 19 ASN HA H 19 5.780 5.497 0.283 1
1 110 . 12 1 1 A 19 19 ASN C C 19 175.300 174.307 0.993 1
1 111 . 12 1 1 A 19 19 ASN CA C 19 51.000 51.893 -0.893 1
1 112 . 12 1 1 A 19 19 ASN CB C 19 39.500 40.644 -1.144 1
1 114 . 12 1 1 A 19 19 ASN N N 19 117.700 119.183 -1.483 1
1 116 . 12 1 1 A 20 20 VAL H H 20 9.140 8.200 0.940 1
1 117 . 12 1 1 A 20 20 VAL HA H 20 5.480 5.106 0.374 1
1 125 . 12 1 1 A 20 20 VAL C C 20 174.900 174.445 0.455 1
1 126 . 12 1 1 A 20 20 VAL CA C 20 61.100 60.546 0.554 1
1 127 . 12 1 1 A 20 20 VAL CB C 20 35.000 34.302 0.698 1
1 130 . 12 1 1 A 20 20 VAL N N 20 120.600 123.312 -2.712 1
1 131 . 12 1 1 A 21 21 SER H H 21 9.700 8.643 1.057 1
1 132 . 12 1 1 A 21 21 SER HA H 21 4.930 5.152 -0.222 1
1 135 . 12 1 1 A 21 21 SER C C 21 172.900 172.851 0.049 1
1 136 . 12 1 1 A 21 21 SER CA C 21 57.300 56.784 0.516 1
1 137 . 12 1 1 A 21 21 SER CB C 21 66.900 67.026 -0.126 1
1 138 . 12 1 1 A 21 21 SER N N 21 125.600 119.750 5.850 1
1 139 . 12 1 1 A 22 22 ASN H H 22 9.800 8.665 1.135 1
1 140 . 12 1 1 A 22 22 ASN HA H 22 5.240 5.034 0.206 1
1 145 . 12 1 1 A 22 22 ASN C C 22 174.200 175.321 -1.121 1
1 146 . 12 1 1 A 22 22 ASN CA C 22 53.500 51.468 2.032 1
1 147 . 12 1 1 A 22 22 ASN CB C 22 43.000 42.396 0.604 1
1 149 . 12 1 1 A 22 22 ASN N N 22 116.100 118.105 -2.005 1
1 151 . 12 1 1 A 23 23 SER H H 23 8.200 8.165 0.035 1
1 152 . 12 1 1 A 23 23 SER HA H 23 4.370 4.323 0.047 1
1 155 . 12 1 1 A 23 23 SER CA C 23 59.700 62.355 -2.655 1
1 156 . 12 1 1 A 23 23 SER CB C 23 64.500 62.857 1.643 1
1 157 . 12 1 1 A 23 23 SER N N 23 111.800 116.022 -4.222 1
1 158 . 12 1 1 A 24 24 HIS H H 24 9.070 7.727 1.343 1
1 159 . 12 1 1 A 24 24 HIS HA H 24 4.790 4.530 0.260 1
1 164 . 12 1 1 A 24 24 HIS C C 24 175.100 175.348 -0.248 1
1 165 . 12 1 1 A 24 24 HIS CA C 24 57.000 55.748 1.252 1
1 166 . 12 1 1 A 24 24 HIS CB C 24 31.300 30.939 0.361 1
1 169 . 12 1 1 A 24 24 HIS N N 24 121.900 117.265 4.635 1
1 171 . 12 1 1 A 25 25 ASN H H 25 8.420 8.798 -0.378 1
1 172 . 12 1 1 A 25 25 ASN HA H 25 4.710 4.635 0.075 1
1 177 . 12 1 1 A 25 25 ASN C C 25 173.900 174.562 -0.662 1
1 178 . 12 1 1 A 25 25 ASN CA C 25 52.800 55.116 -2.316 1
1 179 . 12 1 1 A 25 25 ASN CB C 25 39.500 37.502 1.998 1
1 181 . 12 1 1 A 25 25 ASN N N 25 119.300 116.576 2.724 1
1 183 . 12 1 1 A 26 26 ASP H H 26 8.130 8.844 -0.714 1
1 184 . 12 1 1 A 26 26 ASP HA H 26 4.660 4.724 -0.064 1
1 187 . 12 1 1 A 26 26 ASP C C 26 176.300 176.183 0.117 1
1 188 . 12 1 1 A 26 26 ASP CA C 26 53.600 53.729 -0.129 1
1 189 . 12 1 1 A 26 26 ASP CB C 26 40.900 40.944 -0.044 1
1 190 . 12 1 1 A 26 26 ASP N N 26 115.800 122.616 -6.816 1
1 191 . 12 1 1 A 27 27 ALA H H 27 8.330 7.316 1.014 1
1 192 . 12 1 1 A 27 27 ALA HA H 27 4.210 4.157 0.053 1
1 196 . 12 1 1 A 27 27 ALA C C 27 178.500 176.906 1.594 1
1 197 . 12 1 1 A 27 27 ALA CA C 27 53.100 52.672 0.428 1
1 198 . 12 1 1 A 27 27 ALA CB C 27 19.200 18.781 0.419 1
1 199 . 12 1 1 A 27 27 ALA N N 27 124.500 122.345 2.155 1
1 200 . 12 1 1 A 28 28 VAL H H 28 8.310 8.498 -0.188 1
1 201 . 12 1 1 A 28 28 VAL HA H 28 4.360 4.518 -0.158 1
1 209 . 12 1 1 A 28 28 VAL CA C 28 61.000 60.193 0.807 1
1 210 . 12 1 1 A 28 28 VAL CB C 28 35.000 34.770 0.230 1
1 213 . 12 1 1 A 28 28 VAL N N 28 124.500 123.511 0.989 1
1 214 . 12 1 1 A 29 29 ALA H H 29 8.460 8.468 -0.008 1
1 215 . 12 1 1 A 29 29 ALA HA H 29 4.590 5.334 -0.744 1
1 219 . 12 1 1 A 29 29 ALA C C 29 175.800 176.178 -0.378 1
1 220 . 12 1 1 A 29 29 ALA CA C 29 50.400 49.906 0.494 1
1 221 . 12 1 1 A 29 29 ALA CB C 29 20.100 21.779 -1.679 1
1 222 . 12 1 1 A 30 30 PHE H H 30 8.640 8.896 -0.256 1
1 223 . 12 1 1 A 30 30 PHE HA H 30 4.870 4.937 -0.067 1
1 231 . 12 1 1 A 30 30 PHE C C 30 175.800 175.388 0.412 1
1 232 . 12 1 1 A 30 30 PHE CA C 30 57.300 56.322 0.978 1
1 233 . 12 1 1 A 30 30 PHE CB C 30 41.600 42.013 -0.413 1
1 239 . 12 1 1 A 30 30 PHE N N 30 122.100 119.457 2.643 1
1 240 . 12 1 1 A 31 31 GLU H H 31 8.670 8.496 0.174 1
1 241 . 12 1 1 A 31 31 GLU HA H 31 3.530 3.821 -0.291 1
1 246 . 12 1 1 A 31 31 GLU C C 31 174.700 174.955 -0.255 1
1 247 . 12 1 1 A 31 31 GLU CA C 31 57.200 57.148 0.052 1
1 248 . 12 1 1 A 31 31 GLU CB C 31 27.600 27.936 -0.336 1
1 250 . 12 1 1 A 31 31 GLU N N 31 118.900 118.750 0.150 1
1 251 . 12 1 1 A 32 32 VAL H H 32 9.100 7.539 1.561 1
1 252 . 12 1 1 A 32 32 VAL HA H 32 3.770 4.378 -0.608 1
1 260 . 12 1 1 A 32 32 VAL C C 32 175.400 175.482 -0.082 1
1 261 . 12 1 1 A 32 32 VAL CA C 32 62.900 61.867 1.033 1
1 262 . 12 1 1 A 32 32 VAL CB C 32 32.200 32.260 -0.060 1
1 265 . 12 1 1 A 32 32 VAL N N 32 122.300 118.246 4.054 1
1 266 . 12 1 1 A 33 33 LYS H H 33 8.330 8.553 -0.223 1
1 267 . 12 1 1 A 33 33 LYS HA H 33 4.980 4.801 0.179 1
1 276 . 12 1 1 A 33 33 LYS C C 33 176.300 175.737 0.563 1
1 277 . 12 1 1 A 33 33 LYS CA C 33 55.700 56.415 -0.715 1
1 278 . 12 1 1 A 33 33 LYS CB C 33 33.500 32.739 0.761 1
1 282 . 12 1 1 A 33 33 LYS N N 33 128.300 128.195 0.105 1
1 283 . 12 1 1 A 34 34 LEU H H 34 9.140 8.357 0.783 1
1 284 . 12 1 1 A 34 34 LEU HA H 34 4.750 5.140 -0.390 1
1 294 . 12 1 1 A 34 34 LEU C C 34 175.000 176.300 -1.300 1
1 295 . 12 1 1 A 34 34 LEU CA C 34 52.900 53.341 -0.441 1
1 296 . 12 1 1 A 34 34 LEU CB C 34 46.700 45.866 0.834 1
1 300 . 12 1 1 A 34 34 LEU N N 34 126.700 126.253 0.447 1
1 301 . 12 1 1 A 35 35 ALA H H 35 8.650 8.914 -0.264 1
1 302 . 12 1 1 A 35 35 ALA HA H 35 4.100 4.109 -0.009 1
1 306 . 12 1 1 A 35 35 ALA C C 35 178.000 178.806 -0.806 1
1 307 . 12 1 1 A 35 35 ALA CA C 35 52.300 52.554 -0.254 1
1 308 . 12 1 1 A 35 35 ALA CB C 35 19.100 18.776 0.324 1
1 309 . 12 1 1 A 35 35 ALA N N 35 126.600 126.412 0.188 1
1 310 . 12 1 1 A 36 36 LYS H H 36 8.230 8.188 0.042 1
1 311 . 12 1 1 A 36 36 LYS HA H 36 3.710 4.070 -0.360 1
1 320 . 12 1 1 A 36 36 LYS C C 36 176.000 176.901 -0.901 1
1 321 . 12 1 1 A 36 36 LYS CA C 36 59.800 58.302 1.498 1
1 322 . 12 1 1 A 36 36 LYS CB C 36 33.200 31.854 1.346 1
1 326 . 12 1 1 A 36 36 LYS N N 36 119.200 122.471 -3.271 1
1 327 . 12 1 1 A 37 37 ASP H H 37 8.060 7.974 0.086 1
1 328 . 12 1 1 A 37 37 ASP HA H 37 4.470 4.646 -0.176 1
1 331 . 12 1 1 A 37 37 ASP C C 37 176.800 176.755 0.045 1
1 332 . 12 1 1 A 37 37 ASP CA C 37 53.000 54.643 -1.643 1
1 333 . 12 1 1 A 37 37 ASP CB C 37 39.700 41.116 -1.416 1
1 334 . 12 1 1 A 37 37 ASP N N 37 112.700 118.602 -5.902 1
1 335 . 12 1 1 A 38 38 LEU H H 38 7.170 6.968 0.202 1
1 336 . 12 1 1 A 38 38 LEU HA H 38 4.280 4.226 0.054 1
1 346 . 12 1 1 A 38 38 LEU C C 38 177.600 177.278 0.322 1
1 347 . 12 1 1 A 38 38 LEU CA C 38 55.800 54.866 0.934 1
1 348 . 12 1 1 A 38 38 LEU CB C 38 43.900 42.641 1.259 1
1 352 . 12 1 1 A 38 38 LEU N N 38 122.100 121.440 0.660 1
1 353 . 12 1 1 A 39 39 THR H H 39 8.430 8.418 0.012 1
1 354 . 12 1 1 A 39 39 THR HA H 39 5.010 4.760 0.250 1
1 360 . 12 1 1 A 39 39 THR C C 39 176.500 176.251 0.249 1
1 361 . 12 1 1 A 39 39 THR CA C 39 60.900 60.442 0.458 1
1 362 . 12 1 1 A 39 39 THR CB C 39 71.200 71.248 -0.048 1
1 364 . 12 1 1 A 39 39 THR N N 39 112.800 114.939 -2.139 1
1 365 . 12 1 1 A 40 40 VAL H H 40 8.740 8.395 0.345 1
1 366 . 12 1 1 A 40 40 VAL HA H 40 3.530 3.682 -0.152 1
1 374 . 12 1 1 A 40 40 VAL C C 40 178.200 177.351 0.849 1
1 375 . 12 1 1 A 40 40 VAL CA C 40 67.300 66.787 0.513 1
1 376 . 12 1 1 A 40 40 VAL CB C 40 31.600 31.734 -0.134 1
1 379 . 12 1 1 A 40 40 VAL N N 40 123.600 122.299 1.301 1
1 380 . 12 1 1 A 41 41 ALA H H 41 8.520 8.164 0.356 1
1 381 . 12 1 1 A 41 41 ALA HA H 41 3.950 3.935 0.015 1
1 385 . 12 1 1 A 41 41 ALA C C 41 180.700 179.973 0.727 1
1 386 . 12 1 1 A 41 41 ALA CA C 41 56.100 55.678 0.422 1
1 387 . 12 1 1 A 41 41 ALA CB C 41 18.800 18.129 0.671 1
1 388 . 12 1 1 A 41 41 ALA N N 41 121.400 122.164 -0.764 1
1 389 . 12 1 1 A 42 42 GLN H H 42 7.740 7.567 0.173 1
1 390 . 12 1 1 A 42 42 GLN HA H 42 4.060 4.040 0.020 1
1 397 . 12 1 1 A 42 42 GLN C C 42 180.300 178.674 1.626 1
1 398 . 12 1 1 A 42 42 GLN CA C 42 58.600 58.797 -0.197 1
1 399 . 12 1 1 A 42 42 GLN CB C 42 29.200 28.497 0.703 1
1 402 . 12 1 1 A 42 42 GLN N N 42 117.500 118.170 -0.670 1
1 404 . 12 1 1 A 43 43 LEU H H 43 9.210 7.851 1.359 1
1 405 . 12 1 1 A 43 43 LEU HA H 43 3.940 4.119 -0.179 1
1 415 . 12 1 1 A 43 43 LEU C C 43 178.300 178.764 -0.464 1
1 416 . 12 1 1 A 43 43 LEU CA C 43 57.900 57.777 0.123 1
1 417 . 12 1 1 A 43 43 LEU CB C 43 41.300 41.696 -0.396 1
1 421 . 12 1 1 A 43 43 LEU N N 43 123.000 122.142 0.858 1
1 422 . 12 1 1 A 44 44 LYS H H 44 8.740 7.887 0.853 1
1 423 . 12 1 1 A 44 44 LYS HA H 44 3.860 3.957 -0.097 1
1 432 . 12 1 1 A 44 44 LYS C C 44 178.300 179.165 -0.865 1
1 433 . 12 1 1 A 44 44 LYS CA C 44 61.100 59.318 1.782 1
1 434 . 12 1 1 A 44 44 LYS CB C 44 32.800 32.235 0.565 1
1 438 . 12 1 1 A 44 44 LYS N N 44 119.300 118.894 0.406 1
1 439 . 12 1 1 A 45 45 THR H H 45 7.440 7.748 -0.308 1
1 440 . 12 1 1 A 45 45 THR HA H 45 3.930 3.883 0.047 1
1 445 . 12 1 1 A 45 45 THR C C 45 176.700 176.018 0.682 1
1 446 . 12 1 1 A 45 45 THR CA C 45 67.100 67.204 -0.104 1
1 447 . 12 1 1 A 45 45 THR CB C 45 68.800 68.313 0.487 1
1 449 . 12 1 1 A 45 45 THR N N 45 114.000 118.048 -4.048 1
1 450 . 12 1 1 A 46 46 LYS H H 46 7.500 8.049 -0.549 1
1 451 . 12 1 1 A 46 46 LYS HA H 46 4.100 4.003 0.097 1
1 460 . 12 1 1 A 46 46 LYS C C 46 179.700 178.858 0.842 1
1 461 . 12 1 1 A 46 46 LYS CA C 46 59.400 59.465 -0.065 1
1 462 . 12 1 1 A 46 46 LYS CB C 46 32.100 31.938 0.162 1
1 466 . 12 1 1 A 46 46 LYS N N 46 121.700 121.403 0.297 1
1 467 . 12 1 1 A 47 47 LEU H H 47 9.010 8.643 0.367 1
1 468 . 12 1 1 A 47 47 LEU HA H 47 4.040 3.942 0.098 1
1 478 . 12 1 1 A 47 47 LEU C C 47 180.000 178.771 1.229 1
1 479 . 12 1 1 A 47 47 LEU CA C 47 57.200 58.067 -0.867 1
1 480 . 12 1 1 A 47 47 LEU CB C 47 40.700 41.337 -0.637 1
1 484 . 12 1 1 A 47 47 LEU N N 47 118.000 119.259 -1.259 1
1 485 . 12 1 1 A 48 48 GLU H H 48 8.450 8.521 -0.071 1
1 486 . 12 1 1 A 48 48 GLU HA H 48 4.050 4.006 0.044 1
1 491 . 12 1 1 A 48 48 GLU C C 48 178.800 179.399 -0.599 1
1 492 . 12 1 1 A 48 48 GLU CA C 48 59.700 59.439 0.261 1
1 493 . 12 1 1 A 48 48 GLU CB C 48 29.400 29.554 -0.154 1
1 495 . 12 1 1 A 48 48 GLU N N 48 126.300 120.249 6.051 1
1 496 . 12 1 1 A 49 49 ILE H H 49 7.180 7.645 -0.465 1
1 497 . 12 1 1 A 49 49 ILE HA H 49 3.780 3.653 0.127 1
1 507 . 12 1 1 A 49 49 ILE C C 49 178.000 178.253 -0.253 1
1 508 . 12 1 1 A 49 49 ILE CA C 49 64.000 65.600 -1.600 1
1 509 . 12 1 1 A 49 49 ILE CB C 49 38.100 37.734 0.366 1
1 513 . 12 1 1 A 49 49 ILE N N 49 119.600 119.863 -0.263 1
1 514 . 12 1 1 A 50 50 LEU H H 50 7.520 7.920 -0.400 1
1 515 . 12 1 1 A 50 50 LEU HA H 50 4.160 3.941 0.219 1
1 525 . 12 1 1 A 50 50 LEU C C 50 178.400 178.220 0.180 1
1 526 . 12 1 1 A 50 50 LEU CA C 50 57.500 58.143 -0.643 1
1 527 . 12 1 1 A 50 50 LEU CB C 50 44.300 41.778 2.522 1
1 531 . 12 1 1 A 50 50 LEU N N 50 116.800 121.476 -4.676 1
1 532 . 12 1 1 A 51 51 THR H H 51 8.160 8.479 -0.319 1
1 533 . 12 1 1 A 51 51 THR HA H 51 4.490 4.510 -0.020 1
1 538 . 12 1 1 A 51 51 THR C C 51 175.600 176.105 -0.505 1
1 539 . 12 1 1 A 51 51 THR CA C 51 62.400 62.476 -0.076 1
1 540 . 12 1 1 A 51 51 THR CB C 51 72.900 70.910 1.990 1
1 542 . 12 1 1 A 51 51 THR N N 51 104.100 107.310 -3.210 1
1 543 . 12 1 1 A 52 52 GLY H H 52 8.080 8.235 -0.155 1
1 544 . 12 1 1 A 52 52 GLY HA2 H 52 3.830 3.969 -0.139 1
1 545 . 12 1 1 A 52 52 GLY HA3 H 52 4.250 3.971 0.279 1
1 546 . 12 1 1 A 52 52 GLY C C 52 174.800 175.640 -0.840 1
1 547 . 12 1 1 A 52 52 GLY CA C 52 45.500 46.171 -0.671 1
1 548 . 12 1 1 A 52 52 GLY N N 52 112.100 111.156 0.944 1
1 549 . 12 1 1 A 53 53 GLY H H 53 7.880 7.608 0.272 1
1 550 . 12 1 1 A 53 53 GLY HA2 H 53 3.220 3.895 -0.675 1
1 551 . 12 1 1 A 53 53 GLY HA3 H 53 4.040 3.916 0.124 1
1 552 . 12 1 1 A 53 53 GLY C C 53 170.900 173.280 -2.380 1
1 553 . 12 1 1 A 53 53 GLY CA C 53 44.300 45.102 -0.802 1
1 554 . 12 1 1 A 53 53 GLY N N 53 107.000 106.433 0.567 1
1 555 . 12 1 1 A 54 54 CYS H H 54 8.690 7.901 0.789 1
1 556 . 12 1 1 A 54 54 CYS HA H 54 4.430 4.224 0.206 1
1 559 . 12 1 1 A 54 54 CYS C C 54 176.100 175.053 1.047 1
1 560 . 12 1 1 A 54 54 CYS CA C 54 57.900 60.024 -2.124 1
1 561 . 12 1 1 A 54 54 CYS CB C 54 27.800 26.523 1.277 1
1 562 . 12 1 1 A 54 54 CYS N N 54 120.200 114.449 5.751 1
1 563 . 12 1 1 A 55 55 ALA H H 55 10.100 8.309 1.791 1
1 564 . 12 1 1 A 55 55 ALA HA H 55 3.890 3.949 -0.059 1
1 568 . 12 1 1 A 55 55 ALA C C 55 178.900 179.580 -0.680 1
1 569 . 12 1 1 A 55 55 ALA CA C 55 55.700 55.011 0.689 1
1 570 . 12 1 1 A 55 55 ALA CB C 55 18.500 18.413 0.087 1
1 571 . 12 1 1 A 55 55 ALA N N 55 133.900 127.368 6.532 1
1 572 . 12 1 1 A 56 56 GLY H H 56 8.380 8.314 0.066 1
1 573 . 12 1 1 A 56 56 GLY HA2 H 56 3.910 3.739 0.171 1
1 574 . 12 1 1 A 56 56 GLY HA3 H 56 3.910 3.739 0.171 1
1 575 . 12 1 1 A 56 56 GLY C C 56 174.600 175.101 -0.501 1
1 576 . 12 1 1 A 56 56 GLY CA C 56 45.900 47.005 -1.105 1
1 577 . 12 1 1 A 56 56 GLY N N 56 104.300 105.320 -1.020 1
1 578 . 12 1 1 A 57 57 THR H H 57 7.310 7.594 -0.284 1
1 579 . 12 1 1 A 57 57 THR HA H 57 4.520 4.428 0.092 1
1 584 . 12 1 1 A 57 57 THR C C 57 175.500 174.241 1.259 1
1 585 . 12 1 1 A 57 57 THR CA C 57 61.400 62.622 -1.222 1
1 586 . 12 1 1 A 57 57 THR CB C 57 69.900 69.391 0.509 1
1 588 . 12 1 1 A 57 57 THR N N 57 107.700 113.483 -5.783 1
1 589 . 12 1 1 A 58 58 MET H H 58 7.910 7.694 0.216 1
1 590 . 12 1 1 A 58 58 MET HA H 58 4.540 4.290 0.250 1
1 598 . 12 1 1 A 58 58 MET C C 58 175.100 175.693 -0.593 1
1 599 . 12 1 1 A 58 58 MET CA C 58 56.900 56.153 0.747 1
1 600 . 12 1 1 A 58 58 MET CB C 58 33.700 33.560 0.140 1
1 603 . 12 1 1 A 58 58 MET N N 58 120.700 122.248 -1.548 1
1 604 . 12 1 1 A 59 59 LYS H H 59 8.780 8.439 0.341 1
1 605 . 12 1 1 A 59 59 LYS HA H 59 4.610 5.160 -0.550 1
1 614 . 12 1 1 A 59 59 LYS C C 59 174.500 174.997 -0.497 1
1 615 . 12 1 1 A 59 59 LYS CA C 59 54.500 54.854 -0.354 1
1 616 . 12 1 1 A 59 59 LYS CB C 59 34.700 35.953 -1.253 1
1 620 . 12 1 1 A 59 59 LYS N N 59 122.400 124.914 -2.514 1
1 621 . 12 1 1 A 60 60 VAL H H 60 8.740 8.570 0.170 1
1 622 . 12 1 1 A 60 60 VAL HA H 60 4.700 4.904 -0.204 1
1 630 . 12 1 1 A 60 60 VAL C C 60 175.000 175.158 -0.158 1
1 631 . 12 1 1 A 60 60 VAL CA C 60 61.300 60.920 0.380 1
1 632 . 12 1 1 A 60 60 VAL CB C 60 33.400 33.805 -0.405 1
1 635 . 12 1 1 A 60 60 VAL N N 60 122.100 122.439 -0.339 1
1 636 . 12 1 1 A 61 61 GLN H H 61 9.250 8.638 0.612 1
1 637 . 12 1 1 A 61 61 GLN HA H 61 4.790 4.978 -0.188 1
1 644 . 12 1 1 A 61 61 GLN C C 61 174.700 174.529 0.171 1
1 645 . 12 1 1 A 61 61 GLN CA C 61 54.200 54.007 0.193 1
1 646 . 12 1 1 A 61 61 GLN CB C 61 32.800 32.349 0.451 1
1 649 . 12 1 1 A 61 61 GLN N N 61 126.400 125.709 0.691 1
1 651 . 12 1 1 A 62 62 VAL H H 62 8.690 8.166 0.524 1
1 652 . 12 1 1 A 62 62 VAL HA H 62 4.650 4.553 0.097 1
1 660 . 12 1 1 A 62 62 VAL C C 62 174.700 174.988 -0.288 1
1 661 . 12 1 1 A 62 62 VAL CA C 62 61.800 61.460 0.340 1
1 662 . 12 1 1 A 62 62 VAL CB C 62 32.500 32.102 0.398 1
1 665 . 12 1 1 A 62 62 VAL N N 62 121.700 123.409 -1.709 1
1 666 . 12 1 1 A 63 63 PHE H H 63 10.020 9.089 0.931 1
1 667 . 12 1 1 A 63 63 PHE HA H 63 5.170 5.214 -0.044 1
1 675 . 12 1 1 A 63 63 PHE C C 63 175.100 174.550 0.550 1
1 676 . 12 1 1 A 63 63 PHE CA C 63 56.800 55.895 0.905 1
1 677 . 12 1 1 A 63 63 PHE CB C 63 42.900 43.953 -1.053 1
1 683 . 12 1 1 A 63 63 PHE N N 63 127.100 126.220 0.880 1
1 684 . 12 1 1 A 64 64 LYS H H 64 8.710 8.836 -0.126 1
1 685 . 12 1 1 A 64 64 LYS HA H 64 4.650 4.650 0.000 1
1 694 . 12 1 1 A 64 64 LYS C C 64 176.900 176.654 0.246 1
1 695 . 12 1 1 A 64 64 LYS CA C 64 55.100 55.187 -0.087 1
1 696 . 12 1 1 A 64 64 LYS CB C 64 34.100 33.798 0.302 1
1 700 . 12 1 1 A 64 64 LYS N N 64 123.900 123.285 0.615 1
1 701 . 12 1 1 A 65 65 GLY H H 65 9.160 9.035 0.125 1
1 702 . 12 1 1 A 65 65 GLY HA2 H 65 3.680 3.882 -0.202 1
1 703 . 12 1 1 A 65 65 GLY HA3 H 65 4.050 3.887 0.163 1
1 704 . 12 1 1 A 65 65 GLY C C 65 174.600 174.184 0.416 1
1 705 . 12 1 1 A 65 65 GLY CA C 65 47.200 47.352 -0.152 1
1 706 . 12 1 1 A 65 65 GLY N N 65 118.800 116.130 2.670 1
1 707 . 12 1 1 A 66 66 ASP H H 66 8.760 8.432 0.328 1
1 708 . 12 1 1 A 66 66 ASP HA H 66 4.700 4.886 -0.186 1
1 711 . 12 1 1 A 66 66 ASP C C 66 176.000 175.160 0.840 1
1 712 . 12 1 1 A 66 66 ASP CA C 66 54.300 53.026 1.274 1
1 713 . 12 1 1 A 66 66 ASP CB C 66 41.300 41.688 -0.388 1
1 714 . 12 1 1 A 66 66 ASP N N 66 126.400 125.937 0.463 1
1 715 . 12 1 1 A 67 67 THR H H 67 8.020 7.102 0.918 1
1 716 . 12 1 1 A 67 67 THR HA H 67 4.300 5.042 -0.742 1
1 721 . 12 1 1 A 67 67 THR C C 67 172.100 172.094 0.006 1
1 722 . 12 1 1 A 67 67 THR CA C 67 62.400 60.187 2.213 1
1 723 . 12 1 1 A 67 67 THR CB C 67 70.700 71.877 -1.177 1
1 725 . 12 1 1 A 67 67 THR N N 67 117.500 114.632 2.868 1
1 726 . 12 1 1 A 68 68 CYS H H 68 8.940 8.604 0.336 1
1 727 . 12 1 1 A 68 68 CYS HA H 68 3.400 4.525 -1.125 1
1 730 . 12 1 1 A 68 68 CYS C C 68 174.900 175.821 -0.921 1
1 731 . 12 1 1 A 68 68 CYS CA C 68 58.700 57.912 0.788 1
1 732 . 12 1 1 A 68 68 CYS CB C 68 25.600 28.639 -3.039 1
1 733 . 12 1 1 A 68 68 CYS N N 68 129.500 126.397 3.103 1
1 734 . 12 1 1 A 69 69 VAL H H 69 9.090 8.297 0.793 1
1 735 . 12 1 1 A 69 69 VAL HA H 69 4.150 3.855 0.295 1
1 743 . 12 1 1 A 69 69 VAL C C 69 176.300 175.502 0.798 1
1 744 . 12 1 1 A 69 69 VAL CA C 69 62.900 64.441 -1.541 1
1 745 . 12 1 1 A 69 69 VAL CB C 69 32.800 31.994 0.806 1
1 748 . 12 1 1 A 69 69 VAL N N 69 127.500 129.031 -1.531 1
1 749 . 12 1 1 A 70 70 SER H H 70 7.640 7.497 0.143 1
1 750 . 12 1 1 A 70 70 SER HA H 70 4.550 4.693 -0.143 1
1 753 . 12 1 1 A 70 70 SER C C 70 172.300 171.709 0.591 1
1 754 . 12 1 1 A 70 70 SER CA C 70 58.700 57.801 0.899 1
1 755 . 12 1 1 A 70 70 SER CB C 70 65.100 66.411 -1.311 1
1 756 . 12 1 1 A 70 70 SER N N 70 113.400 112.520 0.880 1
1 757 . 12 1 1 A 71 71 THR H H 71 8.220 8.487 -0.267 1
1 758 . 12 1 1 A 71 71 THR HA H 71 4.580 4.608 -0.028 1
1 763 . 12 1 1 A 71 71 THR C C 71 174.000 174.409 -0.409 1
1 764 . 12 1 1 A 71 71 THR CA C 71 61.800 61.107 0.693 1
1 765 . 12 1 1 A 71 71 THR CB C 71 70.500 70.613 -0.113 1
1 767 . 12 1 1 A 71 71 THR N N 71 114.500 115.238 -0.738 1
1 768 . 12 1 1 A 72 72 MET H H 72 8.260 8.828 -0.568 1
1 769 . 12 1 1 A 72 72 MET HA H 72 2.990 4.095 -1.105 1
1 777 . 12 1 1 A 72 72 MET C C 72 175.700 176.387 -0.687 1
1 778 . 12 1 1 A 72 72 MET CA C 72 55.100 54.057 1.043 1
1 779 . 12 1 1 A 72 72 MET CB C 72 30.200 30.666 -0.466 1
1 782 . 12 1 1 A 72 72 MET N N 72 121.800 125.755 -3.955 1
1 783 . 12 1 1 A 73 73 ASP H H 73 7.830 8.539 -0.709 1
1 784 . 12 1 1 A 73 73 ASP HA H 73 4.370 4.611 -0.241 1
1 787 . 12 1 1 A 73 73 ASP C C 73 175.100 175.489 -0.389 1
1 788 . 12 1 1 A 73 73 ASP CA C 73 55.800 54.621 1.179 1
1 789 . 12 1 1 A 73 73 ASP CB C 73 41.800 41.735 0.065 1
1 790 . 12 1 1 A 73 73 ASP N N 73 125.100 122.685 2.415 1
1 791 . 12 1 1 A 74 74 ASN H H 74 7.480 7.739 -0.259 1
1 792 . 12 1 1 A 74 74 ASN HA H 74 4.890 4.773 0.117 1
1 797 . 12 1 1 A 74 74 ASN C C 74 175.800 175.727 0.073 1
1 798 . 12 1 1 A 74 74 ASN CA C 74 51.600 52.285 -0.685 1
1 799 . 12 1 1 A 74 74 ASN CB C 74 38.800 38.792 0.008 1
1 801 . 12 1 1 A 74 74 ASN N N 74 116.400 118.075 -1.675 1
1 803 . 12 1 1 A 75 75 ASN H H 75 8.870 8.989 -0.119 1
1 804 . 12 1 1 A 75 75 ASN HA H 75 4.390 4.436 -0.046 1
1 809 . 12 1 1 A 75 75 ASN C C 75 175.700 176.882 -1.182 1
1 810 . 12 1 1 A 75 75 ASN CA C 75 55.600 56.318 -0.718 1
1 811 . 12 1 1 A 75 75 ASN CB C 75 39.200 38.185 1.015 1
1 813 . 12 1 1 A 75 75 ASN N N 75 123.600 124.135 -0.535 1
1 815 . 12 1 1 A 76 76 ASP H H 76 8.060 7.951 0.109 1
1 816 . 12 1 1 A 76 76 ASP HA H 76 4.750 4.460 0.290 1
1 819 . 12 1 1 A 76 76 ASP C C 76 176.200 176.383 -0.183 1
1 820 . 12 1 1 A 76 76 ASP CA C 76 54.200 55.532 -1.332 1
1 821 . 12 1 1 A 76 76 ASP CB C 76 41.700 40.596 1.104 1
1 822 . 12 1 1 A 76 76 ASP N N 76 115.100 117.383 -2.283 1
1 823 . 12 1 1 A 77 77 ALA H H 77 7.140 7.424 -0.284 1
1 824 . 12 1 1 A 77 77 ALA HA H 77 4.160 4.157 0.003 1
1 828 . 12 1 1 A 77 77 ALA C C 77 176.100 177.199 -1.099 1
1 829 . 12 1 1 A 77 77 ALA CA C 77 51.400 51.977 -0.577 1
1 830 . 12 1 1 A 77 77 ALA CB C 77 20.100 19.834 0.266 1
1 831 . 12 1 1 A 77 77 ALA N N 77 122.600 121.403 1.197 1
1 832 . 12 1 1 A 78 78 GLN H H 78 8.090 8.943 -0.853 1
1 833 . 12 1 1 A 78 78 GLN HA H 78 4.750 4.521 0.229 1
1 840 . 12 1 1 A 78 78 GLN C C 78 177.900 177.787 0.113 1
1 841 . 12 1 1 A 78 78 GLN CA C 78 55.200 55.102 0.098 1
1 842 . 12 1 1 A 78 78 GLN CB C 78 29.500 29.773 -0.273 1
1 845 . 12 1 1 A 78 78 GLN N N 78 116.500 120.373 -3.873 1
1 847 . 12 1 1 A 79 79 LEU H H 79 9.380 9.254 0.126 1
1 848 . 12 1 1 A 79 79 LEU HA H 79 4.060 4.185 -0.125 1
1 858 . 12 1 1 A 79 79 LEU C C 79 179.200 179.280 -0.080 1
1 859 . 12 1 1 A 79 79 LEU CA C 79 58.900 58.006 0.894 1
1 860 . 12 1 1 A 79 79 LEU CB C 79 42.000 41.511 0.489 1
1 864 . 12 1 1 A 79 79 LEU N N 79 123.800 125.964 -2.164 1
1 865 . 12 1 1 A 80 80 GLY H H 80 9.130 8.231 0.899 1
1 866 . 12 1 1 A 80 80 GLY HA2 H 80 3.750 3.916 -0.166 1
1 867 . 12 1 1 A 80 80 GLY HA3 H 80 4.160 3.937 0.223 1
1 868 . 12 1 1 A 80 80 GLY C C 80 174.100 175.039 -0.939 1
1 869 . 12 1 1 A 80 80 GLY CA C 80 45.600 46.176 -0.576 1
1 870 . 12 1 1 A 80 80 GLY N N 80 104.000 106.253 -2.253 1
1 871 . 12 1 1 A 81 81 TYR H H 81 7.900 7.986 -0.086 1
1 872 . 12 1 1 A 81 81 TYR HA H 81 4.000 3.918 0.082 1
1 879 . 12 1 1 A 81 81 TYR C C 81 176.300 176.740 -0.440 1
1 880 . 12 1 1 A 81 81 TYR CA C 81 60.600 60.775 -0.175 1
1 881 . 12 1 1 A 81 81 TYR CB C 81 38.700 38.268 0.432 1
1 886 . 12 1 1 A 81 81 TYR N N 81 120.300 122.696 -2.396 1
1 887 . 12 1 1 A 82 82 TYR H H 82 7.430 7.812 -0.382 1
1 888 . 12 1 1 A 82 82 TYR HA H 82 4.340 4.694 -0.354 1
1 895 . 12 1 1 A 82 82 TYR C C 82 175.500 176.590 -1.090 1
1 896 . 12 1 1 A 82 82 TYR CA C 82 58.700 58.988 -0.288 1
1 897 . 12 1 1 A 82 82 TYR CB C 82 41.500 40.362 1.138 1
1 902 . 12 1 1 A 82 82 TYR N N 82 114.000 114.602 -0.602 1
1 903 . 12 1 1 A 83 83 ALA H H 83 8.430 7.468 0.962 1
1 904 . 12 1 1 A 83 83 ALA HA H 83 4.380 4.518 -0.138 1
1 908 . 12 1 1 A 83 83 ALA C C 83 173.400 177.759 -4.359 1
1 909 . 12 1 1 A 83 83 ALA CA C 83 51.000 50.890 0.110 1
1 910 . 12 1 1 A 83 83 ALA CB C 83 19.500 17.823 1.677 1
1 911 . 12 1 1 A 83 83 ALA N N 83 122.900 121.105 1.795 1
1 912 . 12 1 1 A 84 84 ASN H H 84 8.050 8.299 -0.249 1
1 913 . 12 1 1 A 84 84 ASN HA H 84 4.760 4.734 0.026 1
1 918 . 12 1 1 A 84 84 ASN C C 84 174.600 174.540 0.060 1
1 919 . 12 1 1 A 84 84 ASN CA C 84 52.200 52.685 -0.485 1
1 920 . 12 1 1 A 84 84 ASN CB C 84 39.300 37.942 1.358 1
1 922 . 12 1 1 A 84 84 ASN N N 84 117.300 117.548 -0.248 1
1 924 . 12 1 1 A 85 85 SER H H 85 7.180 7.578 -0.398 1
1 925 . 12 1 1 A 85 85 SER HA H 85 4.670 4.846 -0.176 1
1 928 . 12 1 1 A 85 85 SER C C 85 172.000 172.679 -0.679 1
1 929 . 12 1 1 A 85 85 SER CA C 85 56.900 56.620 0.280 1
1 930 . 12 1 1 A 85 85 SER CB C 85 66.000 65.609 0.391 1
1 931 . 12 1 1 A 85 85 SER N N 85 112.200 113.021 -0.821 1
1 932 . 12 1 1 A 86 86 ASP H H 86 8.320 8.781 -0.461 1
1 933 . 12 1 1 A 86 86 ASP HA H 86 4.920 4.644 0.276 1
1 936 . 12 1 1 A 86 86 ASP C C 86 178.100 177.218 0.882 1
1 937 . 12 1 1 A 86 86 ASP CA C 86 55.000 54.791 0.209 1
1 938 . 12 1 1 A 86 86 ASP CB C 86 42.000 41.735 0.265 1
1 939 . 12 1 1 A 86 86 ASP N N 86 119.100 125.391 -6.291 1
1 940 . 12 1 1 A 87 87 GLY H H 87 8.910 8.727 0.183 1
1 941 . 12 1 1 A 87 87 GLY HA2 H 87 3.850 3.965 -0.115 1
1 942 . 12 1 1 A 87 87 GLY HA3 H 87 4.110 3.974 0.136 1
1 943 . 12 1 1 A 87 87 GLY C C 87 175.400 174.286 1.114 1
1 944 . 12 1 1 A 87 87 GLY CA C 87 46.100 45.172 0.928 1
1 945 . 12 1 1 A 87 87 GLY N N 87 107.900 110.397 -2.497 1
1 946 . 12 1 1 A 88 88 LEU H H 88 8.290 7.852 0.438 1
1 947 . 12 1 1 A 88 88 LEU HA H 88 4.740 4.481 0.259 1
1 957 . 12 1 1 A 88 88 LEU C C 88 175.000 176.045 -1.045 1
1 958 . 12 1 1 A 88 88 LEU CA C 88 54.500 54.681 -0.181 1
1 959 . 12 1 1 A 88 88 LEU CB C 88 43.200 42.645 0.555 1
1 963 . 12 1 1 A 88 88 LEU N N 88 120.300 123.185 -2.885 1
1 964 . 12 1 1 A 89 89 ARG H H 89 8.880 8.488 0.392 1
1 965 . 12 1 1 A 89 89 ARG HA H 89 5.300 5.042 0.258 1
1 973 . 12 1 1 A 89 89 ARG C C 89 174.900 174.617 0.283 1
1 974 . 12 1 1 A 89 89 ARG CA C 89 53.600 54.726 -1.126 1
1 975 . 12 1 1 A 89 89 ARG CB C 89 34.300 33.529 0.771 1
1 979 . 12 1 1 A 89 89 ARG N N 89 121.200 122.862 -1.662 1
1 981 . 12 1 1 A 90 90 LEU H H 90 9.250 9.429 -0.179 1
1 982 . 12 1 1 A 90 90 LEU HA H 90 5.270 5.262 0.008 1
1 992 . 12 1 1 A 90 90 LEU C C 90 173.700 175.249 -1.549 1
1 993 . 12 1 1 A 90 90 LEU CA C 90 52.900 53.514 -0.614 1
1 994 . 12 1 1 A 90 90 LEU CB C 90 42.000 43.625 -1.625 1
1 998 . 12 1 1 A 90 90 LEU N N 90 125.500 128.882 -3.382 1
1 999 . 12 1 1 A 91 91 HIS H H 91 9.600 8.679 0.921 1
1 1000 . 12 1 1 A 91 91 HIS HA H 91 5.280 5.472 -0.192 1
1 1005 . 12 1 1 A 91 91 HIS C C 91 174.300 173.240 1.060 1
1 1006 . 12 1 1 A 91 91 HIS CA C 91 54.500 53.766 0.734 1
1 1007 . 12 1 1 A 91 91 HIS CB C 91 35.200 32.849 2.351 1
1 1010 . 12 1 1 A 91 91 HIS N N 91 124.800 124.880 -0.080 1
1 1013 . 12 1 1 A 92 92 VAL H H 92 8.300 8.863 -0.563 1
1 1014 . 12 1 1 A 92 92 VAL HA H 92 4.110 4.556 -0.446 1
1 1022 . 12 1 1 A 92 92 VAL C C 92 174.200 174.789 -0.589 1
1 1023 . 12 1 1 A 92 92 VAL CA C 92 62.900 61.454 1.446 1
1 1024 . 12 1 1 A 92 92 VAL CB C 92 32.600 33.113 -0.513 1
1 1027 . 12 1 1 A 92 92 VAL N N 92 128.400 126.494 1.906 1
1 1028 . 12 1 1 A 93 93 VAL H H 93 8.950 8.794 0.156 1
1 1029 . 12 1 1 A 93 93 VAL HA H 93 4.170 4.559 -0.389 1
1 1037 . 12 1 1 A 93 93 VAL C C 93 175.600 174.594 1.006 1
1 1038 . 12 1 1 A 93 93 VAL CA C 93 61.100 61.349 -0.249 1
1 1039 . 12 1 1 A 93 93 VAL CB C 93 33.300 32.884 0.416 1
1 1042 . 12 1 1 A 93 93 VAL N N 93 127.800 128.442 -0.642 1
1 1043 . 12 1 1 A 94 94 ASP H H 94 8.280 8.950 -0.670 1
1 1044 . 12 1 1 A 94 94 ASP HA H 94 4.850 4.901 -0.051 1
1 1047 . 12 1 1 A 94 94 ASP C C 94 174.700 176.720 -2.020 1
1 1048 . 12 1 1 A 94 94 ASP CA C 94 53.800 53.445 0.355 1
1 1049 . 12 1 1 A 94 94 ASP CB C 94 42.500 42.083 0.417 1
1 1050 . 12 1 1 A 94 94 ASP N N 94 127.100 127.795 -0.695 1
1 1 . 13 1 1 A 11 11 GLY C C 11 174.100 173.021 1.079 1
1 2 . 13 1 1 A 11 11 GLY CA C 11 45.300 45.967 -0.667 1
1 3 . 13 1 1 A 12 12 LYS H H 12 8.180 8.570 -0.390 1
1 4 . 13 1 1 A 12 12 LYS HA H 12 4.320 3.874 0.446 1
1 13 . 13 1 1 A 12 12 LYS C C 12 176.700 176.101 0.599 1
1 14 . 13 1 1 A 12 12 LYS CA C 12 56.400 56.961 -0.561 1
1 15 . 13 1 1 A 12 12 LYS CB C 12 33.200 31.030 2.170 1
1 19 . 13 1 1 A 12 12 LYS N N 12 120.600 121.921 -1.321 1
1 20 . 13 1 1 A 13 13 SER H H 13 8.360 8.245 0.115 1
1 21 . 13 1 1 A 13 13 SER HA H 13 4.450 5.321 -0.871 1
1 24 . 13 1 1 A 13 13 SER C C 13 173.800 173.118 0.682 1
1 25 . 13 1 1 A 13 13 SER CA C 13 58.000 57.074 0.926 1
1 26 . 13 1 1 A 13 13 SER CB C 13 63.900 63.851 0.049 1
1 27 . 13 1 1 A 13 13 SER N N 13 116.300 118.079 -1.779 1
1 28 . 13 1 1 A 14 14 ASP H H 14 8.450 8.863 -0.413 1
1 29 . 13 1 1 A 14 14 ASP HA H 14 4.670 4.787 -0.117 1
1 32 . 13 1 1 A 14 14 ASP C C 14 175.100 173.963 1.137 1
1 33 . 13 1 1 A 14 14 ASP CA C 14 54.400 53.487 0.913 1
1 34 . 13 1 1 A 14 14 ASP CB C 14 41.500 39.817 1.683 1
1 35 . 13 1 1 A 14 14 ASP N N 14 122.400 126.387 -3.987 1
1 36 . 13 1 1 A 15 15 PHE H H 15 8.110 7.748 0.362 1
1 37 . 13 1 1 A 15 15 PHE HA H 15 5.290 5.221 0.069 1
1 45 . 13 1 1 A 15 15 PHE C C 15 175.000 175.005 -0.005 1
1 46 . 13 1 1 A 15 15 PHE CA C 15 56.600 56.283 0.317 1
1 47 . 13 1 1 A 15 15 PHE CB C 15 42.600 43.543 -0.943 1
1 53 . 13 1 1 A 15 15 PHE N N 15 118.500 117.886 0.614 1
1 54 . 13 1 1 A 16 16 ILE H H 16 9.160 8.599 0.561 1
1 55 . 13 1 1 A 16 16 ILE HA H 16 4.710 5.054 -0.344 1
1 65 . 13 1 1 A 16 16 ILE C C 16 173.400 174.304 -0.904 1
1 66 . 13 1 1 A 16 16 ILE CA C 16 59.300 59.199 0.101 1
1 67 . 13 1 1 A 16 16 ILE CB C 16 42.100 42.009 0.091 1
1 71 . 13 1 1 A 16 16 ILE N N 16 116.700 117.249 -0.549 1
1 72 . 13 1 1 A 17 17 LYS H H 17 8.530 8.473 0.057 1
1 73 . 13 1 1 A 17 17 LYS HA H 17 5.220 5.032 0.188 1
1 82 . 13 1 1 A 17 17 LYS C C 17 176.400 175.837 0.563 1
1 83 . 13 1 1 A 17 17 LYS CA C 17 54.900 55.772 -0.872 1
1 84 . 13 1 1 A 17 17 LYS CB C 17 34.100 33.564 0.536 1
1 88 . 13 1 1 A 17 17 LYS N N 17 123.200 123.423 -0.223 1
1 89 . 13 1 1 A 18 18 VAL H H 18 8.900 8.452 0.448 1
1 90 . 13 1 1 A 18 18 VAL HA H 18 4.990 4.974 0.016 1
1 98 . 13 1 1 A 18 18 VAL C C 18 174.300 173.702 0.598 1
1 99 . 13 1 1 A 18 18 VAL CA C 18 58.600 58.722 -0.122 1
1 100 . 13 1 1 A 18 18 VAL CB C 18 35.600 36.132 -0.532 1
1 103 . 13 1 1 A 18 18 VAL N N 18 117.500 117.610 -0.110 1
1 104 . 13 1 1 A 19 19 ASN H H 19 7.830 8.820 -0.990 1
1 105 . 13 1 1 A 19 19 ASN HA H 19 5.780 5.396 0.384 1
1 110 . 13 1 1 A 19 19 ASN C C 19 175.300 173.828 1.472 1
1 111 . 13 1 1 A 19 19 ASN CA C 19 51.000 51.999 -0.999 1
1 112 . 13 1 1 A 19 19 ASN CB C 19 39.500 41.459 -1.959 1
1 114 . 13 1 1 A 19 19 ASN N N 19 117.700 120.331 -2.631 1
1 116 . 13 1 1 A 20 20 VAL H H 20 9.140 8.216 0.924 1
1 117 . 13 1 1 A 20 20 VAL HA H 20 5.480 4.925 0.555 1
1 125 . 13 1 1 A 20 20 VAL C C 20 174.900 174.402 0.498 1
1 126 . 13 1 1 A 20 20 VAL CA C 20 61.100 60.575 0.525 1
1 127 . 13 1 1 A 20 20 VAL CB C 20 35.000 34.406 0.594 1
1 130 . 13 1 1 A 20 20 VAL N N 20 120.600 125.563 -4.963 1
1 131 . 13 1 1 A 21 21 SER H H 21 9.700 8.842 0.858 1
1 132 . 13 1 1 A 21 21 SER HA H 21 4.930 5.217 -0.287 1
1 135 . 13 1 1 A 21 21 SER C C 21 172.900 173.049 -0.149 1
1 136 . 13 1 1 A 21 21 SER CA C 21 57.300 56.678 0.622 1
1 137 . 13 1 1 A 21 21 SER CB C 21 66.900 66.002 0.898 1
1 138 . 13 1 1 A 21 21 SER N N 21 125.600 122.225 3.375 1
1 139 . 13 1 1 A 22 22 ASN H H 22 9.800 8.737 1.063 1
1 140 . 13 1 1 A 22 22 ASN HA H 22 5.240 5.057 0.183 1
1 145 . 13 1 1 A 22 22 ASN C C 22 174.200 175.506 -1.306 1
1 146 . 13 1 1 A 22 22 ASN CA C 22 53.500 51.679 1.821 1
1 147 . 13 1 1 A 22 22 ASN CB C 22 43.000 41.120 1.880 1
1 149 . 13 1 1 A 22 22 ASN N N 22 116.100 124.215 -8.115 1
1 151 . 13 1 1 A 23 23 SER H H 23 8.200 8.476 -0.276 1
1 152 . 13 1 1 A 23 23 SER HA H 23 4.370 4.233 0.137 1
1 155 . 13 1 1 A 23 23 SER CA C 23 59.700 60.899 -1.199 1
1 156 . 13 1 1 A 23 23 SER CB C 23 64.500 63.188 1.312 1
1 157 . 13 1 1 A 23 23 SER N N 23 111.800 118.756 -6.956 1
1 158 . 13 1 1 A 24 24 HIS H H 24 9.070 7.793 1.277 1
1 159 . 13 1 1 A 24 24 HIS HA H 24 4.790 5.000 -0.210 1
1 164 . 13 1 1 A 24 24 HIS C C 24 175.100 174.468 0.632 1
1 165 . 13 1 1 A 24 24 HIS CA C 24 57.000 54.265 2.735 1
1 166 . 13 1 1 A 24 24 HIS CB C 24 31.300 29.608 1.692 1
1 169 . 13 1 1 A 24 24 HIS N N 24 121.900 116.436 5.464 1
1 171 . 13 1 1 A 25 25 ASN H H 25 8.420 8.651 -0.231 1
1 172 . 13 1 1 A 25 25 ASN HA H 25 4.710 4.822 -0.112 1
1 177 . 13 1 1 A 25 25 ASN C C 25 173.900 174.903 -1.003 1
1 178 . 13 1 1 A 25 25 ASN CA C 25 52.800 53.600 -0.800 1
1 179 . 13 1 1 A 25 25 ASN CB C 25 39.500 41.331 -1.831 1
1 181 . 13 1 1 A 25 25 ASN N N 25 119.300 123.618 -4.318 1
1 183 . 13 1 1 A 26 26 ASP H H 26 8.130 8.281 -0.151 1
1 184 . 13 1 1 A 26 26 ASP HA H 26 4.660 4.218 0.442 1
1 187 . 13 1 1 A 26 26 ASP C C 26 176.300 174.680 1.620 1
1 188 . 13 1 1 A 26 26 ASP CA C 26 53.600 55.638 -2.038 1
1 189 . 13 1 1 A 26 26 ASP CB C 26 40.900 40.541 0.359 1
1 190 . 13 1 1 A 26 26 ASP N N 26 115.800 118.644 -2.844 1
1 191 . 13 1 1 A 27 27 ALA H H 27 8.330 7.783 0.547 1
1 192 . 13 1 1 A 27 27 ALA HA H 27 4.210 4.602 -0.392 1
1 196 . 13 1 1 A 27 27 ALA C C 27 178.500 176.681 1.819 1
1 197 . 13 1 1 A 27 27 ALA CA C 27 53.100 50.782 2.318 1
1 198 . 13 1 1 A 27 27 ALA CB C 27 19.200 20.412 -1.212 1
1 199 . 13 1 1 A 27 27 ALA N N 27 124.500 122.868 1.632 1
1 200 . 13 1 1 A 28 28 VAL H H 28 8.310 8.636 -0.326 1
1 201 . 13 1 1 A 28 28 VAL HA H 28 4.360 4.629 -0.269 1
1 209 . 13 1 1 A 28 28 VAL CA C 28 61.000 60.073 0.927 1
1 210 . 13 1 1 A 28 28 VAL CB C 28 35.000 34.839 0.161 1
1 213 . 13 1 1 A 28 28 VAL N N 28 124.500 122.487 2.013 1
1 214 . 13 1 1 A 29 29 ALA H H 29 8.460 8.560 -0.100 1
1 215 . 13 1 1 A 29 29 ALA HA H 29 4.590 5.427 -0.837 1
1 219 . 13 1 1 A 29 29 ALA C C 29 175.800 175.804 -0.004 1
1 220 . 13 1 1 A 29 29 ALA CA C 29 50.400 49.689 0.711 1
1 221 . 13 1 1 A 29 29 ALA CB C 29 20.100 21.829 -1.729 1
1 222 . 13 1 1 A 30 30 PHE H H 30 8.640 8.917 -0.277 1
1 223 . 13 1 1 A 30 30 PHE HA H 30 4.870 4.927 -0.057 1
1 231 . 13 1 1 A 30 30 PHE C C 30 175.800 175.392 0.408 1
1 232 . 13 1 1 A 30 30 PHE CA C 30 57.300 56.301 0.999 1
1 233 . 13 1 1 A 30 30 PHE CB C 30 41.600 41.953 -0.353 1
1 239 . 13 1 1 A 30 30 PHE N N 30 122.100 119.519 2.581 1
1 240 . 13 1 1 A 31 31 GLU H H 31 8.670 8.923 -0.253 1
1 241 . 13 1 1 A 31 31 GLU HA H 31 3.530 3.821 -0.291 1
1 246 . 13 1 1 A 31 31 GLU C C 31 174.700 174.817 -0.117 1
1 247 . 13 1 1 A 31 31 GLU CA C 31 57.200 57.218 -0.018 1
1 248 . 13 1 1 A 31 31 GLU CB C 31 27.600 27.829 -0.229 1
1 250 . 13 1 1 A 31 31 GLU N N 31 118.900 118.806 0.094 1
1 251 . 13 1 1 A 32 32 VAL H H 32 9.100 7.554 1.546 1
1 252 . 13 1 1 A 32 32 VAL HA H 32 3.770 4.487 -0.717 1
1 260 . 13 1 1 A 32 32 VAL C C 32 175.400 174.923 0.477 1
1 261 . 13 1 1 A 32 32 VAL CA C 32 62.900 61.170 1.730 1
1 262 . 13 1 1 A 32 32 VAL CB C 32 32.200 32.398 -0.198 1
1 265 . 13 1 1 A 32 32 VAL N N 32 122.300 118.294 4.006 1
1 266 . 13 1 1 A 33 33 LYS H H 33 8.330 8.454 -0.124 1
1 267 . 13 1 1 A 33 33 LYS HA H 33 4.980 4.829 0.151 1
1 276 . 13 1 1 A 33 33 LYS C C 33 176.300 176.010 0.290 1
1 277 . 13 1 1 A 33 33 LYS CA C 33 55.700 56.099 -0.399 1
1 278 . 13 1 1 A 33 33 LYS CB C 33 33.500 32.858 0.642 1
1 282 . 13 1 1 A 33 33 LYS N N 33 128.300 126.184 2.116 1
1 283 . 13 1 1 A 34 34 LEU H H 34 9.140 8.352 0.788 1
1 284 . 13 1 1 A 34 34 LEU HA H 34 4.750 5.060 -0.310 1
1 294 . 13 1 1 A 34 34 LEU C C 34 175.000 176.161 -1.161 1
1 295 . 13 1 1 A 34 34 LEU CA C 34 52.900 53.491 -0.591 1
1 296 . 13 1 1 A 34 34 LEU CB C 34 46.700 45.943 0.757 1
1 300 . 13 1 1 A 34 34 LEU N N 34 126.700 124.513 2.187 1
1 301 . 13 1 1 A 35 35 ALA H H 35 8.650 9.001 -0.351 1
1 302 . 13 1 1 A 35 35 ALA HA H 35 4.100 4.104 -0.004 1
1 306 . 13 1 1 A 35 35 ALA C C 35 178.000 178.776 -0.776 1
1 307 . 13 1 1 A 35 35 ALA CA C 35 52.300 52.699 -0.399 1
1 308 . 13 1 1 A 35 35 ALA CB C 35 19.100 18.902 0.198 1
1 309 . 13 1 1 A 35 35 ALA N N 35 126.600 126.736 -0.136 1
1 310 . 13 1 1 A 36 36 LYS H H 36 8.230 8.169 0.061 1
1 311 . 13 1 1 A 36 36 LYS HA H 36 3.710 4.041 -0.331 1
1 320 . 13 1 1 A 36 36 LYS C C 36 176.000 176.891 -0.891 1
1 321 . 13 1 1 A 36 36 LYS CA C 36 59.800 58.371 1.429 1
1 322 . 13 1 1 A 36 36 LYS CB C 36 33.200 31.906 1.294 1
1 326 . 13 1 1 A 36 36 LYS N N 36 119.200 122.101 -2.901 1
1 327 . 13 1 1 A 37 37 ASP H H 37 8.060 7.922 0.138 1
1 328 . 13 1 1 A 37 37 ASP HA H 37 4.470 4.638 -0.168 1
1 331 . 13 1 1 A 37 37 ASP C C 37 176.800 176.538 0.262 1
1 332 . 13 1 1 A 37 37 ASP CA C 37 53.000 54.608 -1.608 1
1 333 . 13 1 1 A 37 37 ASP CB C 37 39.700 41.152 -1.452 1
1 334 . 13 1 1 A 37 37 ASP N N 37 112.700 118.404 -5.704 1
1 335 . 13 1 1 A 38 38 LEU H H 38 7.170 6.950 0.220 1
1 336 . 13 1 1 A 38 38 LEU HA H 38 4.280 4.223 0.057 1
1 346 . 13 1 1 A 38 38 LEU C C 38 177.600 177.199 0.401 1
1 347 . 13 1 1 A 38 38 LEU CA C 38 55.800 54.939 0.861 1
1 348 . 13 1 1 A 38 38 LEU CB C 38 43.900 42.723 1.177 1
1 352 . 13 1 1 A 38 38 LEU N N 38 122.100 121.461 0.639 1
1 353 . 13 1 1 A 39 39 THR H H 39 8.430 8.429 0.001 1
1 354 . 13 1 1 A 39 39 THR HA H 39 5.010 4.786 0.224 1
1 360 . 13 1 1 A 39 39 THR C C 39 176.500 176.264 0.236 1
1 361 . 13 1 1 A 39 39 THR CA C 39 60.900 60.404 0.496 1
1 362 . 13 1 1 A 39 39 THR CB C 39 71.200 71.352 -0.152 1
1 364 . 13 1 1 A 39 39 THR N N 39 112.800 115.003 -2.203 1
1 365 . 13 1 1 A 40 40 VAL H H 40 8.740 8.462 0.278 1
1 366 . 13 1 1 A 40 40 VAL HA H 40 3.530 3.687 -0.157 1
1 374 . 13 1 1 A 40 40 VAL C C 40 178.200 177.323 0.877 1
1 375 . 13 1 1 A 40 40 VAL CA C 40 67.300 66.691 0.609 1
1 376 . 13 1 1 A 40 40 VAL CB C 40 31.600 31.703 -0.103 1
1 379 . 13 1 1 A 40 40 VAL N N 40 123.600 122.307 1.293 1
1 380 . 13 1 1 A 41 41 ALA H H 41 8.520 8.178 0.342 1
1 381 . 13 1 1 A 41 41 ALA HA H 41 3.950 3.919 0.031 1
1 385 . 13 1 1 A 41 41 ALA C C 41 180.700 179.880 0.820 1
1 386 . 13 1 1 A 41 41 ALA CA C 41 56.100 55.866 0.234 1
1 387 . 13 1 1 A 41 41 ALA CB C 41 18.800 18.628 0.172 1
1 388 . 13 1 1 A 41 41 ALA N N 41 121.400 122.298 -0.898 1
1 389 . 13 1 1 A 42 42 GLN H H 42 7.740 7.710 0.030 1
1 390 . 13 1 1 A 42 42 GLN HA H 42 4.060 4.040 0.020 1
1 397 . 13 1 1 A 42 42 GLN C C 42 180.300 178.674 1.626 1
1 398 . 13 1 1 A 42 42 GLN CA C 42 58.600 58.841 -0.241 1
1 399 . 13 1 1 A 42 42 GLN CB C 42 29.200 28.432 0.768 1
1 402 . 13 1 1 A 42 42 GLN N N 42 117.500 117.988 -0.488 1
1 404 . 13 1 1 A 43 43 LEU H H 43 9.210 8.122 1.088 1
1 405 . 13 1 1 A 43 43 LEU HA H 43 3.940 4.119 -0.179 1
1 415 . 13 1 1 A 43 43 LEU C C 43 178.300 178.251 0.049 1
1 416 . 13 1 1 A 43 43 LEU CA C 43 57.900 57.715 0.185 1
1 417 . 13 1 1 A 43 43 LEU CB C 43 41.300 41.840 -0.540 1
1 421 . 13 1 1 A 43 43 LEU N N 43 123.000 121.288 1.712 1
1 422 . 13 1 1 A 44 44 LYS H H 44 8.740 8.621 0.119 1
1 423 . 13 1 1 A 44 44 LYS HA H 44 3.860 3.917 -0.057 1
1 432 . 13 1 1 A 44 44 LYS C C 44 178.300 179.034 -0.734 1
1 433 . 13 1 1 A 44 44 LYS CA C 44 61.100 59.923 1.177 1
1 434 . 13 1 1 A 44 44 LYS CB C 44 32.800 32.082 0.718 1
1 438 . 13 1 1 A 44 44 LYS N N 44 119.300 119.862 -0.562 1
1 439 . 13 1 1 A 45 45 THR H H 45 7.440 7.788 -0.348 1
1 440 . 13 1 1 A 45 45 THR HA H 45 3.930 3.955 -0.025 1
1 445 . 13 1 1 A 45 45 THR C C 45 176.700 177.002 -0.302 1
1 446 . 13 1 1 A 45 45 THR CA C 45 67.100 65.805 1.295 1
1 447 . 13 1 1 A 45 45 THR CB C 45 68.800 68.474 0.326 1
1 449 . 13 1 1 A 45 45 THR N N 45 114.000 114.261 -0.261 1
1 450 . 13 1 1 A 46 46 LYS H H 46 7.500 7.652 -0.152 1
1 451 . 13 1 1 A 46 46 LYS HA H 46 4.100 4.005 0.095 1
1 460 . 13 1 1 A 46 46 LYS C C 46 179.700 179.604 0.096 1
1 461 . 13 1 1 A 46 46 LYS CA C 46 59.400 59.989 -0.589 1
1 462 . 13 1 1 A 46 46 LYS CB C 46 32.100 32.372 -0.272 1
1 466 . 13 1 1 A 46 46 LYS N N 46 121.700 122.500 -0.800 1
1 467 . 13 1 1 A 47 47 LEU H H 47 9.010 8.488 0.522 1
1 468 . 13 1 1 A 47 47 LEU HA H 47 4.040 3.956 0.084 1
1 478 . 13 1 1 A 47 47 LEU C C 47 180.000 178.857 1.143 1
1 479 . 13 1 1 A 47 47 LEU CA C 47 57.200 58.051 -0.851 1
1 480 . 13 1 1 A 47 47 LEU CB C 47 40.700 41.190 -0.490 1
1 484 . 13 1 1 A 47 47 LEU N N 47 118.000 119.855 -1.855 1
1 485 . 13 1 1 A 48 48 GLU H H 48 8.450 8.225 0.225 1
1 486 . 13 1 1 A 48 48 GLU HA H 48 4.050 3.994 0.056 1
1 491 . 13 1 1 A 48 48 GLU C C 48 178.800 179.434 -0.634 1
1 492 . 13 1 1 A 48 48 GLU CA C 48 59.700 59.362 0.338 1
1 493 . 13 1 1 A 48 48 GLU CB C 48 29.400 29.566 -0.166 1
1 495 . 13 1 1 A 48 48 GLU N N 48 126.300 120.196 6.104 1
1 496 . 13 1 1 A 49 49 ILE H H 49 7.180 7.556 -0.376 1
1 497 . 13 1 1 A 49 49 ILE HA H 49 3.780 3.682 0.098 1
1 507 . 13 1 1 A 49 49 ILE C C 49 178.000 178.263 -0.263 1
1 508 . 13 1 1 A 49 49 ILE CA C 49 64.000 65.138 -1.138 1
1 509 . 13 1 1 A 49 49 ILE CB C 49 38.100 37.758 0.342 1
1 513 . 13 1 1 A 49 49 ILE N N 49 119.600 119.859 -0.259 1
1 514 . 13 1 1 A 50 50 LEU H H 50 7.520 7.979 -0.459 1
1 515 . 13 1 1 A 50 50 LEU HA H 50 4.160 3.947 0.213 1
1 525 . 13 1 1 A 50 50 LEU C C 50 178.400 178.547 -0.147 1
1 526 . 13 1 1 A 50 50 LEU CA C 50 57.500 58.104 -0.604 1
1 527 . 13 1 1 A 50 50 LEU CB C 50 44.300 41.735 2.565 1
1 531 . 13 1 1 A 50 50 LEU N N 50 116.800 121.460 -4.660 1
1 532 . 13 1 1 A 51 51 THR H H 51 8.160 8.324 -0.164 1
1 533 . 13 1 1 A 51 51 THR HA H 51 4.490 4.443 0.047 1
1 538 . 13 1 1 A 51 51 THR C C 51 175.600 175.998 -0.398 1
1 539 . 13 1 1 A 51 51 THR CA C 51 62.400 62.340 0.060 1
1 540 . 13 1 1 A 51 51 THR CB C 51 72.900 70.706 2.194 1
1 542 . 13 1 1 A 51 51 THR N N 51 104.100 107.215 -3.115 1
1 543 . 13 1 1 A 52 52 GLY H H 52 8.080 8.502 -0.422 1
1 544 . 13 1 1 A 52 52 GLY HA2 H 52 3.830 3.953 -0.123 1
1 545 . 13 1 1 A 52 52 GLY HA3 H 52 4.250 3.954 0.296 1
1 546 . 13 1 1 A 52 52 GLY C C 52 174.800 174.776 0.024 1
1 547 . 13 1 1 A 52 52 GLY CA C 52 45.500 46.040 -0.540 1
1 548 . 13 1 1 A 52 52 GLY N N 52 112.100 112.184 -0.084 1
1 549 . 13 1 1 A 53 53 GLY H H 53 7.880 7.772 0.108 1
1 550 . 13 1 1 A 53 53 GLY HA2 H 53 3.220 4.020 -0.800 1
1 551 . 13 1 1 A 53 53 GLY HA3 H 53 4.040 4.021 0.019 1
1 552 . 13 1 1 A 53 53 GLY C C 53 170.900 172.432 -1.532 1
1 553 . 13 1 1 A 53 53 GLY CA C 53 44.300 44.100 0.200 1
1 554 . 13 1 1 A 53 53 GLY N N 53 107.000 108.253 -1.253 1
1 555 . 13 1 1 A 54 54 CYS H H 54 8.690 8.364 0.326 1
1 556 . 13 1 1 A 54 54 CYS HA H 54 4.430 5.105 -0.675 1
1 559 . 13 1 1 A 54 54 CYS C C 54 176.100 175.944 0.156 1
1 560 . 13 1 1 A 54 54 CYS CA C 54 57.900 57.360 0.540 1
1 561 . 13 1 1 A 54 54 CYS CB C 54 27.800 30.146 -2.346 1
1 562 . 13 1 1 A 54 54 CYS N N 54 120.200 119.010 1.190 1
1 563 . 13 1 1 A 55 55 ALA H H 55 10.100 9.107 0.993 1
1 564 . 13 1 1 A 55 55 ALA HA H 55 3.890 3.950 -0.060 1
1 568 . 13 1 1 A 55 55 ALA C C 55 178.900 179.302 -0.402 1
1 569 . 13 1 1 A 55 55 ALA CA C 55 55.700 55.059 0.641 1
1 570 . 13 1 1 A 55 55 ALA CB C 55 18.500 18.493 0.007 1
1 571 . 13 1 1 A 55 55 ALA N N 55 133.900 130.079 3.821 1
1 572 . 13 1 1 A 56 56 GLY H H 56 8.380 8.276 0.104 1
1 573 . 13 1 1 A 56 56 GLY HA2 H 56 3.910 3.722 0.188 1
1 574 . 13 1 1 A 56 56 GLY HA3 H 56 3.910 3.723 0.187 1
1 575 . 13 1 1 A 56 56 GLY C C 56 174.600 175.223 -0.623 1
1 576 . 13 1 1 A 56 56 GLY CA C 56 45.900 47.295 -1.395 1
1 577 . 13 1 1 A 56 56 GLY N N 56 104.300 106.189 -1.889 1
1 578 . 13 1 1 A 57 57 THR H H 57 7.310 7.523 -0.213 1
1 579 . 13 1 1 A 57 57 THR HA H 57 4.520 4.440 0.080 1
1 584 . 13 1 1 A 57 57 THR C C 57 175.500 174.252 1.248 1
1 585 . 13 1 1 A 57 57 THR CA C 57 61.400 61.544 -0.144 1
1 586 . 13 1 1 A 57 57 THR CB C 57 69.900 69.064 0.836 1
1 588 . 13 1 1 A 57 57 THR N N 57 107.700 115.983 -8.283 1
1 589 . 13 1 1 A 58 58 MET H H 58 7.910 7.493 0.417 1
1 590 . 13 1 1 A 58 58 MET HA H 58 4.540 4.546 -0.006 1
1 598 . 13 1 1 A 58 58 MET C C 58 175.100 175.673 -0.573 1
1 599 . 13 1 1 A 58 58 MET CA C 58 56.900 55.592 1.308 1
1 600 . 13 1 1 A 58 58 MET CB C 58 33.700 33.495 0.205 1
1 603 . 13 1 1 A 58 58 MET N N 58 120.700 122.127 -1.427 1
1 604 . 13 1 1 A 59 59 LYS H H 59 8.780 8.672 0.108 1
1 605 . 13 1 1 A 59 59 LYS HA H 59 4.610 5.210 -0.600 1
1 614 . 13 1 1 A 59 59 LYS C C 59 174.500 175.125 -0.625 1
1 615 . 13 1 1 A 59 59 LYS CA C 59 54.500 54.760 -0.260 1
1 616 . 13 1 1 A 59 59 LYS CB C 59 34.700 36.207 -1.507 1
1 620 . 13 1 1 A 59 59 LYS N N 59 122.400 125.706 -3.306 1
1 621 . 13 1 1 A 60 60 VAL H H 60 8.740 8.837 -0.097 1
1 622 . 13 1 1 A 60 60 VAL HA H 60 4.700 4.764 -0.064 1
1 630 . 13 1 1 A 60 60 VAL C C 60 175.000 175.360 -0.360 1
1 631 . 13 1 1 A 60 60 VAL CA C 60 61.300 61.102 0.198 1
1 632 . 13 1 1 A 60 60 VAL CB C 60 33.400 33.663 -0.263 1
1 635 . 13 1 1 A 60 60 VAL N N 60 122.100 123.785 -1.685 1
1 636 . 13 1 1 A 61 61 GLN H H 61 9.250 8.646 0.604 1
1 637 . 13 1 1 A 61 61 GLN HA H 61 4.790 4.931 -0.141 1
1 644 . 13 1 1 A 61 61 GLN C C 61 174.700 174.798 -0.098 1
1 645 . 13 1 1 A 61 61 GLN CA C 61 54.200 54.249 -0.049 1
1 646 . 13 1 1 A 61 61 GLN CB C 61 32.800 31.875 0.925 1
1 649 . 13 1 1 A 61 61 GLN N N 61 126.400 126.070 0.330 1
1 651 . 13 1 1 A 62 62 VAL H H 62 8.690 8.408 0.282 1
1 652 . 13 1 1 A 62 62 VAL HA H 62 4.650 4.533 0.117 1
1 660 . 13 1 1 A 62 62 VAL C C 62 174.700 175.155 -0.455 1
1 661 . 13 1 1 A 62 62 VAL CA C 62 61.800 62.328 -0.528 1
1 662 . 13 1 1 A 62 62 VAL CB C 62 32.500 32.219 0.281 1
1 665 . 13 1 1 A 62 62 VAL N N 62 121.700 123.649 -1.949 1
1 666 . 13 1 1 A 63 63 PHE H H 63 10.020 9.437 0.583 1
1 667 . 13 1 1 A 63 63 PHE HA H 63 5.170 5.235 -0.065 1
1 675 . 13 1 1 A 63 63 PHE C C 63 175.100 174.679 0.421 1
1 676 . 13 1 1 A 63 63 PHE CA C 63 56.800 55.864 0.936 1
1 677 . 13 1 1 A 63 63 PHE CB C 63 42.900 43.642 -0.742 1
1 683 . 13 1 1 A 63 63 PHE N N 63 127.100 126.378 0.722 1
1 684 . 13 1 1 A 64 64 LYS H H 64 8.710 8.475 0.235 1
1 685 . 13 1 1 A 64 64 LYS HA H 64 4.650 4.670 -0.020 1
1 694 . 13 1 1 A 64 64 LYS C C 64 176.900 176.528 0.372 1
1 695 . 13 1 1 A 64 64 LYS CA C 64 55.100 55.365 -0.265 1
1 696 . 13 1 1 A 64 64 LYS CB C 64 34.100 33.928 0.172 1
1 700 . 13 1 1 A 64 64 LYS N N 64 123.900 123.523 0.377 1
1 701 . 13 1 1 A 65 65 GLY H H 65 9.160 9.035 0.125 1
1 702 . 13 1 1 A 65 65 GLY HA2 H 65 3.680 3.892 -0.212 1
1 703 . 13 1 1 A 65 65 GLY HA3 H 65 4.050 3.895 0.155 1
1 704 . 13 1 1 A 65 65 GLY C C 65 174.600 174.508 0.092 1
1 705 . 13 1 1 A 65 65 GLY CA C 65 47.200 47.264 -0.064 1
1 706 . 13 1 1 A 65 65 GLY N N 65 118.800 116.038 2.762 1
1 707 . 13 1 1 A 66 66 ASP H H 66 8.760 8.720 0.040 1
1 708 . 13 1 1 A 66 66 ASP HA H 66 4.700 4.695 0.005 1
1 711 . 13 1 1 A 66 66 ASP C C 66 176.000 175.177 0.823 1
1 712 . 13 1 1 A 66 66 ASP CA C 66 54.300 53.431 0.869 1
1 713 . 13 1 1 A 66 66 ASP CB C 66 41.300 40.631 0.669 1
1 714 . 13 1 1 A 66 66 ASP N N 66 126.400 126.042 0.358 1
1 715 . 13 1 1 A 67 67 THR H H 67 8.020 7.257 0.763 1
1 716 . 13 1 1 A 67 67 THR HA H 67 4.300 4.970 -0.670 1
1 721 . 13 1 1 A 67 67 THR C C 67 172.100 173.630 -1.530 1
1 722 . 13 1 1 A 67 67 THR CA C 67 62.400 61.190 1.210 1
1 723 . 13 1 1 A 67 67 THR CB C 67 70.700 71.751 -1.051 1
1 725 . 13 1 1 A 67 67 THR N N 67 117.500 114.325 3.175 1
1 726 . 13 1 1 A 68 68 CYS H H 68 8.940 8.822 0.118 1
1 727 . 13 1 1 A 68 68 CYS HA H 68 3.400 4.373 -0.973 1
1 730 . 13 1 1 A 68 68 CYS C C 68 174.900 174.416 0.484 1
1 731 . 13 1 1 A 68 68 CYS CA C 68 58.700 58.328 0.372 1
1 732 . 13 1 1 A 68 68 CYS CB C 68 25.600 27.209 -1.609 1
1 733 . 13 1 1 A 68 68 CYS N N 68 129.500 124.156 5.344 1
1 734 . 13 1 1 A 69 69 VAL H H 69 9.090 8.670 0.420 1
1 735 . 13 1 1 A 69 69 VAL HA H 69 4.150 3.865 0.285 1
1 743 . 13 1 1 A 69 69 VAL C C 69 176.300 175.695 0.605 1
1 744 . 13 1 1 A 69 69 VAL CA C 69 62.900 64.269 -1.369 1
1 745 . 13 1 1 A 69 69 VAL CB C 69 32.800 32.151 0.649 1
1 748 . 13 1 1 A 69 69 VAL N N 69 127.500 126.779 0.721 1
1 749 . 13 1 1 A 70 70 SER H H 70 7.640 7.427 0.213 1
1 750 . 13 1 1 A 70 70 SER HA H 70 4.550 4.518 0.032 1
1 753 . 13 1 1 A 70 70 SER C C 70 172.300 171.654 0.646 1
1 754 . 13 1 1 A 70 70 SER CA C 70 58.700 56.974 1.726 1
1 755 . 13 1 1 A 70 70 SER CB C 70 65.100 65.140 -0.040 1
1 756 . 13 1 1 A 70 70 SER N N 70 113.400 111.134 2.266 1
1 757 . 13 1 1 A 71 71 THR H H 71 8.220 8.438 -0.218 1
1 758 . 13 1 1 A 71 71 THR HA H 71 4.580 4.699 -0.119 1
1 763 . 13 1 1 A 71 71 THR C C 71 174.000 174.003 -0.003 1
1 764 . 13 1 1 A 71 71 THR CA C 71 61.800 61.301 0.499 1
1 765 . 13 1 1 A 71 71 THR CB C 71 70.500 70.832 -0.332 1
1 767 . 13 1 1 A 71 71 THR N N 71 114.500 116.987 -2.487 1
1 768 . 13 1 1 A 72 72 MET H H 72 8.260 8.479 -0.219 1
1 769 . 13 1 1 A 72 72 MET HA H 72 2.990 4.068 -1.078 1
1 777 . 13 1 1 A 72 72 MET C C 72 175.700 176.470 -0.770 1
1 778 . 13 1 1 A 72 72 MET CA C 72 55.100 54.383 0.717 1
1 779 . 13 1 1 A 72 72 MET CB C 72 30.200 30.645 -0.445 1
1 782 . 13 1 1 A 72 72 MET N N 72 121.800 125.997 -4.197 1
1 783 . 13 1 1 A 73 73 ASP H H 73 7.830 8.946 -1.116 1
1 784 . 13 1 1 A 73 73 ASP HA H 73 4.370 4.463 -0.093 1
1 787 . 13 1 1 A 73 73 ASP C C 73 175.100 175.897 -0.797 1
1 788 . 13 1 1 A 73 73 ASP CA C 73 55.800 54.783 1.017 1
1 789 . 13 1 1 A 73 73 ASP CB C 73 41.800 40.101 1.699 1
1 790 . 13 1 1 A 73 73 ASP N N 73 125.100 120.742 4.358 1
1 791 . 13 1 1 A 74 74 ASN H H 74 7.480 7.465 0.015 1
1 792 . 13 1 1 A 74 74 ASN HA H 74 4.890 4.967 -0.077 1
1 797 . 13 1 1 A 74 74 ASN C C 74 175.800 175.908 -0.108 1
1 798 . 13 1 1 A 74 74 ASN CA C 74 51.600 52.395 -0.795 1
1 799 . 13 1 1 A 74 74 ASN CB C 74 38.800 39.301 -0.501 1
1 801 . 13 1 1 A 74 74 ASN N N 74 116.400 118.913 -2.513 1
1 803 . 13 1 1 A 75 75 ASN H H 75 8.870 9.044 -0.174 1
1 804 . 13 1 1 A 75 75 ASN HA H 75 4.390 4.593 -0.203 1
1 809 . 13 1 1 A 75 75 ASN C C 75 175.700 175.424 0.276 1
1 810 . 13 1 1 A 75 75 ASN CA C 75 55.600 54.821 0.779 1
1 811 . 13 1 1 A 75 75 ASN CB C 75 39.200 37.590 1.610 1
1 813 . 13 1 1 A 75 75 ASN N N 75 123.600 123.172 0.428 1
1 815 . 13 1 1 A 76 76 ASP H H 76 8.060 8.310 -0.250 1
1 816 . 13 1 1 A 76 76 ASP HA H 76 4.750 4.627 0.123 1
1 819 . 13 1 1 A 76 76 ASP C C 76 176.200 176.147 0.053 1
1 820 . 13 1 1 A 76 76 ASP CA C 76 54.200 53.485 0.715 1
1 821 . 13 1 1 A 76 76 ASP CB C 76 41.700 40.181 1.519 1
1 822 . 13 1 1 A 76 76 ASP N N 76 115.100 117.311 -2.211 1
1 823 . 13 1 1 A 77 77 ALA H H 77 7.140 7.149 -0.009 1
1 824 . 13 1 1 A 77 77 ALA HA H 77 4.160 4.160 0.000 1
1 828 . 13 1 1 A 77 77 ALA C C 77 176.100 177.273 -1.173 1
1 829 . 13 1 1 A 77 77 ALA CA C 77 51.400 52.005 -0.605 1
1 830 . 13 1 1 A 77 77 ALA CB C 77 20.100 19.798 0.302 1
1 831 . 13 1 1 A 77 77 ALA N N 77 122.600 123.270 -0.670 1
1 832 . 13 1 1 A 78 78 GLN H H 78 8.090 9.000 -0.910 1
1 833 . 13 1 1 A 78 78 GLN HA H 78 4.750 4.463 0.287 1
1 840 . 13 1 1 A 78 78 GLN C C 78 177.900 177.686 0.214 1
1 841 . 13 1 1 A 78 78 GLN CA C 78 55.200 55.221 -0.021 1
1 842 . 13 1 1 A 78 78 GLN CB C 78 29.500 29.488 0.012 1
1 845 . 13 1 1 A 78 78 GLN N N 78 116.500 120.351 -3.851 1
1 847 . 13 1 1 A 79 79 LEU H H 79 9.380 9.120 0.260 1
1 848 . 13 1 1 A 79 79 LEU HA H 79 4.060 4.209 -0.149 1
1 858 . 13 1 1 A 79 79 LEU C C 79 179.200 179.106 0.094 1
1 859 . 13 1 1 A 79 79 LEU CA C 79 58.900 57.993 0.907 1
1 860 . 13 1 1 A 79 79 LEU CB C 79 42.000 41.502 0.498 1
1 864 . 13 1 1 A 79 79 LEU N N 79 123.800 126.093 -2.293 1
1 865 . 13 1 1 A 80 80 GLY H H 80 9.130 8.192 0.938 1
1 866 . 13 1 1 A 80 80 GLY HA2 H 80 3.750 3.894 -0.144 1
1 867 . 13 1 1 A 80 80 GLY HA3 H 80 4.160 3.915 0.245 1
1 868 . 13 1 1 A 80 80 GLY C C 80 174.100 175.180 -1.080 1
1 869 . 13 1 1 A 80 80 GLY CA C 80 45.600 46.223 -0.623 1
1 870 . 13 1 1 A 80 80 GLY N N 80 104.000 106.266 -2.266 1
1 871 . 13 1 1 A 81 81 TYR H H 81 7.900 7.984 -0.084 1
1 872 . 13 1 1 A 81 81 TYR HA H 81 4.000 3.918 0.082 1
1 879 . 13 1 1 A 81 81 TYR C C 81 176.300 176.703 -0.403 1
1 880 . 13 1 1 A 81 81 TYR CA C 81 60.600 60.781 -0.181 1
1 881 . 13 1 1 A 81 81 TYR CB C 81 38.700 38.279 0.421 1
1 886 . 13 1 1 A 81 81 TYR N N 81 120.300 122.901 -2.601 1
1 887 . 13 1 1 A 82 82 TYR H H 82 7.430 7.763 -0.333 1
1 888 . 13 1 1 A 82 82 TYR HA H 82 4.340 4.656 -0.316 1
1 895 . 13 1 1 A 82 82 TYR C C 82 175.500 176.575 -1.075 1
1 896 . 13 1 1 A 82 82 TYR CA C 82 58.700 59.093 -0.393 1
1 897 . 13 1 1 A 82 82 TYR CB C 82 41.500 40.306 1.194 1
1 902 . 13 1 1 A 82 82 TYR N N 82 114.000 114.615 -0.615 1
1 903 . 13 1 1 A 83 83 ALA H H 83 8.430 7.560 0.870 1
1 904 . 13 1 1 A 83 83 ALA HA H 83 4.380 4.546 -0.166 1
1 908 . 13 1 1 A 83 83 ALA C C 83 173.400 177.579 -4.179 1
1 909 . 13 1 1 A 83 83 ALA CA C 83 51.000 50.988 0.012 1
1 910 . 13 1 1 A 83 83 ALA CB C 83 19.500 18.008 1.492 1
1 911 . 13 1 1 A 83 83 ALA N N 83 122.900 121.236 1.664 1
1 912 . 13 1 1 A 84 84 ASN H H 84 8.050 8.474 -0.424 1
1 913 . 13 1 1 A 84 84 ASN HA H 84 4.760 4.755 0.005 1
1 918 . 13 1 1 A 84 84 ASN C C 84 174.600 174.547 0.053 1
1 919 . 13 1 1 A 84 84 ASN CA C 84 52.200 52.658 -0.458 1
1 920 . 13 1 1 A 84 84 ASN CB C 84 39.300 38.101 1.199 1
1 922 . 13 1 1 A 84 84 ASN N N 84 117.300 118.305 -1.005 1
1 924 . 13 1 1 A 85 85 SER H H 85 7.180 7.618 -0.438 1
1 925 . 13 1 1 A 85 85 SER HA H 85 4.670 4.787 -0.117 1
1 928 . 13 1 1 A 85 85 SER C C 85 172.000 171.865 0.135 1
1 929 . 13 1 1 A 85 85 SER CA C 85 56.900 56.768 0.132 1
1 930 . 13 1 1 A 85 85 SER CB C 85 66.000 65.631 0.369 1
1 931 . 13 1 1 A 85 85 SER N N 85 112.200 112.375 -0.175 1
1 932 . 13 1 1 A 86 86 ASP H H 86 8.320 8.822 -0.502 1
1 933 . 13 1 1 A 86 86 ASP HA H 86 4.920 4.817 0.103 1
1 936 . 13 1 1 A 86 86 ASP C C 86 178.100 176.721 1.379 1
1 937 . 13 1 1 A 86 86 ASP CA C 86 55.000 53.622 1.378 1
1 938 . 13 1 1 A 86 86 ASP CB C 86 42.000 41.842 0.158 1
1 939 . 13 1 1 A 86 86 ASP N N 86 119.100 124.216 -5.116 1
1 940 . 13 1 1 A 87 87 GLY H H 87 8.910 8.603 0.307 1
1 941 . 13 1 1 A 87 87 GLY HA2 H 87 3.850 3.988 -0.138 1
1 942 . 13 1 1 A 87 87 GLY HA3 H 87 4.110 3.996 0.114 1
1 943 . 13 1 1 A 87 87 GLY C C 87 175.400 174.231 1.169 1
1 944 . 13 1 1 A 87 87 GLY CA C 87 46.100 45.224 0.876 1
1 945 . 13 1 1 A 87 87 GLY N N 87 107.900 110.372 -2.472 1
1 946 . 13 1 1 A 88 88 LEU H H 88 8.290 7.788 0.502 1
1 947 . 13 1 1 A 88 88 LEU HA H 88 4.740 4.469 0.271 1
1 957 . 13 1 1 A 88 88 LEU C C 88 175.000 176.070 -1.070 1
1 958 . 13 1 1 A 88 88 LEU CA C 88 54.500 54.687 -0.187 1
1 959 . 13 1 1 A 88 88 LEU CB C 88 43.200 42.587 0.613 1
1 963 . 13 1 1 A 88 88 LEU N N 88 120.300 123.164 -2.864 1
1 964 . 13 1 1 A 89 89 ARG H H 89 8.880 8.545 0.335 1
1 965 . 13 1 1 A 89 89 ARG HA H 89 5.300 5.205 0.095 1
1 973 . 13 1 1 A 89 89 ARG C C 89 174.900 174.416 0.484 1
1 974 . 13 1 1 A 89 89 ARG CA C 89 53.600 54.611 -1.011 1
1 975 . 13 1 1 A 89 89 ARG CB C 89 34.300 33.517 0.783 1
1 979 . 13 1 1 A 89 89 ARG N N 89 121.200 123.056 -1.856 1
1 981 . 13 1 1 A 90 90 LEU H H 90 9.250 9.240 0.010 1
1 982 . 13 1 1 A 90 90 LEU HA H 90 5.270 5.263 0.007 1
1 992 . 13 1 1 A 90 90 LEU C C 90 173.700 175.262 -1.562 1
1 993 . 13 1 1 A 90 90 LEU CA C 90 52.900 53.514 -0.614 1
1 994 . 13 1 1 A 90 90 LEU CB C 90 42.000 43.625 -1.625 1
1 998 . 13 1 1 A 90 90 LEU N N 90 125.500 128.280 -2.780 1
1 999 . 13 1 1 A 91 91 HIS H H 91 9.600 8.945 0.655 1
1 1000 . 13 1 1 A 91 91 HIS HA H 91 5.280 5.524 -0.244 1
1 1005 . 13 1 1 A 91 91 HIS C C 91 174.300 173.363 0.937 1
1 1006 . 13 1 1 A 91 91 HIS CA C 91 54.500 53.184 1.316 1
1 1007 . 13 1 1 A 91 91 HIS CB C 91 35.200 32.230 2.970 1
1 1010 . 13 1 1 A 91 91 HIS N N 91 124.800 124.751 0.049 1
1 1013 . 13 1 1 A 92 92 VAL H H 92 8.300 8.709 -0.409 1
1 1014 . 13 1 1 A 92 92 VAL HA H 92 4.110 4.379 -0.269 1
1 1022 . 13 1 1 A 92 92 VAL C C 92 174.200 175.182 -0.982 1
1 1023 . 13 1 1 A 92 92 VAL CA C 92 62.900 61.951 0.949 1
1 1024 . 13 1 1 A 92 92 VAL CB C 92 32.600 32.258 0.342 1
1 1027 . 13 1 1 A 92 92 VAL N N 92 128.400 128.078 0.322 1
1 1028 . 13 1 1 A 93 93 VAL H H 93 8.950 9.082 -0.132 1
1 1029 . 13 1 1 A 93 93 VAL HA H 93 4.170 4.664 -0.494 1
1 1037 . 13 1 1 A 93 93 VAL C C 93 175.600 174.335 1.265 1
1 1038 . 13 1 1 A 93 93 VAL CA C 93 61.100 61.141 -0.041 1
1 1039 . 13 1 1 A 93 93 VAL CB C 93 33.300 33.545 -0.245 1
1 1042 . 13 1 1 A 93 93 VAL N N 93 127.800 128.056 -0.256 1
1 1043 . 13 1 1 A 94 94 ASP H H 94 8.280 9.013 -0.733 1
1 1044 . 13 1 1 A 94 94 ASP HA H 94 4.850 5.296 -0.446 1
1 1047 . 13 1 1 A 94 94 ASP C C 94 174.700 174.872 -0.172 1
1 1048 . 13 1 1 A 94 94 ASP CA C 94 53.800 53.108 0.692 1
1 1049 . 13 1 1 A 94 94 ASP CB C 94 42.500 42.225 0.275 1
1 1050 . 13 1 1 A 94 94 ASP N N 94 127.100 128.421 -1.321 1
1 1 . 14 1 1 A 11 11 GLY C C 11 174.100 175.616 -1.516 1
1 2 . 14 1 1 A 11 11 GLY CA C 11 45.300 45.278 0.022 1
1 3 . 14 1 1 A 12 12 LYS H H 12 8.180 8.769 -0.589 1
1 4 . 14 1 1 A 12 12 LYS HA H 12 4.320 4.084 0.236 1
1 13 . 14 1 1 A 12 12 LYS C C 12 176.700 176.738 -0.038 1
1 14 . 14 1 1 A 12 12 LYS CA C 12 56.400 59.252 -2.852 1
1 15 . 14 1 1 A 12 12 LYS CB C 12 33.200 33.189 0.011 1
1 19 . 14 1 1 A 12 12 LYS N N 12 120.600 121.274 -0.674 1
1 20 . 14 1 1 A 13 13 SER H H 13 8.360 8.119 0.241 1
1 21 . 14 1 1 A 13 13 SER HA H 13 4.450 4.593 -0.143 1
1 24 . 14 1 1 A 13 13 SER C C 13 173.800 173.708 0.092 1
1 25 . 14 1 1 A 13 13 SER CA C 13 58.000 58.773 -0.773 1
1 26 . 14 1 1 A 13 13 SER CB C 13 63.900 63.960 -0.060 1
1 27 . 14 1 1 A 13 13 SER N N 13 116.300 115.708 0.592 1
1 28 . 14 1 1 A 14 14 ASP H H 14 8.450 8.723 -0.273 1
1 29 . 14 1 1 A 14 14 ASP HA H 14 4.670 4.889 -0.219 1
1 32 . 14 1 1 A 14 14 ASP C C 14 175.100 174.252 0.848 1
1 33 . 14 1 1 A 14 14 ASP CA C 14 54.400 53.259 1.141 1
1 34 . 14 1 1 A 14 14 ASP CB C 14 41.500 40.859 0.641 1
1 35 . 14 1 1 A 14 14 ASP N N 14 122.400 126.099 -3.699 1
1 36 . 14 1 1 A 15 15 PHE H H 15 8.110 8.020 0.090 1
1 37 . 14 1 1 A 15 15 PHE HA H 15 5.290 5.258 0.032 1
1 45 . 14 1 1 A 15 15 PHE C C 15 175.000 175.056 -0.056 1
1 46 . 14 1 1 A 15 15 PHE CA C 15 56.600 56.175 0.425 1
1 47 . 14 1 1 A 15 15 PHE CB C 15 42.600 43.499 -0.899 1
1 53 . 14 1 1 A 15 15 PHE N N 15 118.500 120.921 -2.421 1
1 54 . 14 1 1 A 16 16 ILE H H 16 9.160 8.580 0.580 1
1 55 . 14 1 1 A 16 16 ILE HA H 16 4.710 5.050 -0.340 1
1 65 . 14 1 1 A 16 16 ILE C C 16 173.400 174.420 -1.020 1
1 66 . 14 1 1 A 16 16 ILE CA C 16 59.300 59.229 0.071 1
1 67 . 14 1 1 A 16 16 ILE CB C 16 42.100 42.510 -0.410 1
1 71 . 14 1 1 A 16 16 ILE N N 16 116.700 116.682 0.018 1
1 72 . 14 1 1 A 17 17 LYS H H 17 8.530 8.746 -0.216 1
1 73 . 14 1 1 A 17 17 LYS HA H 17 5.220 5.431 -0.211 1
1 82 . 14 1 1 A 17 17 LYS C C 17 176.400 175.487 0.913 1
1 83 . 14 1 1 A 17 17 LYS CA C 17 54.900 54.850 0.050 1
1 84 . 14 1 1 A 17 17 LYS CB C 17 34.100 35.354 -1.254 1
1 88 . 14 1 1 A 17 17 LYS N N 17 123.200 122.189 1.011 1
1 89 . 14 1 1 A 18 18 VAL H H 18 8.900 8.589 0.311 1
1 90 . 14 1 1 A 18 18 VAL HA H 18 4.990 4.955 0.035 1
1 98 . 14 1 1 A 18 18 VAL C C 18 174.300 173.797 0.503 1
1 99 . 14 1 1 A 18 18 VAL CA C 18 58.600 58.764 -0.164 1
1 100 . 14 1 1 A 18 18 VAL CB C 18 35.600 36.093 -0.493 1
1 103 . 14 1 1 A 18 18 VAL N N 18 117.500 118.850 -1.350 1
1 104 . 14 1 1 A 19 19 ASN H H 19 7.830 8.627 -0.797 1
1 105 . 14 1 1 A 19 19 ASN HA H 19 5.780 5.378 0.402 1
1 110 . 14 1 1 A 19 19 ASN C C 19 175.300 174.160 1.140 1
1 111 . 14 1 1 A 19 19 ASN CA C 19 51.000 52.153 -1.153 1
1 112 . 14 1 1 A 19 19 ASN CB C 19 39.500 40.952 -1.452 1
1 114 . 14 1 1 A 19 19 ASN N N 19 117.700 120.711 -3.011 1
1 116 . 14 1 1 A 20 20 VAL H H 20 9.140 8.110 1.030 1
1 117 . 14 1 1 A 20 20 VAL HA H 20 5.480 5.145 0.335 1
1 125 . 14 1 1 A 20 20 VAL C C 20 174.900 174.501 0.399 1
1 126 . 14 1 1 A 20 20 VAL CA C 20 61.100 60.642 0.458 1
1 127 . 14 1 1 A 20 20 VAL CB C 20 35.000 34.369 0.631 1
1 130 . 14 1 1 A 20 20 VAL N N 20 120.600 125.439 -4.839 1
1 131 . 14 1 1 A 21 21 SER H H 21 9.700 9.011 0.689 1
1 132 . 14 1 1 A 21 21 SER HA H 21 4.930 5.385 -0.455 1
1 135 . 14 1 1 A 21 21 SER C C 21 172.900 172.589 0.311 1
1 136 . 14 1 1 A 21 21 SER CA C 21 57.300 56.505 0.795 1
1 137 . 14 1 1 A 21 21 SER CB C 21 66.900 66.390 0.510 1
1 138 . 14 1 1 A 21 21 SER N N 21 125.600 122.122 3.478 1
1 139 . 14 1 1 A 22 22 ASN H H 22 9.800 8.793 1.007 1
1 140 . 14 1 1 A 22 22 ASN HA H 22 5.240 5.273 -0.033 1
1 145 . 14 1 1 A 22 22 ASN C C 22 174.200 175.180 -0.980 1
1 146 . 14 1 1 A 22 22 ASN CA C 22 53.500 51.932 1.568 1
1 147 . 14 1 1 A 22 22 ASN CB C 22 43.000 41.205 1.795 1
1 149 . 14 1 1 A 22 22 ASN N N 22 116.100 123.323 -7.223 1
1 151 . 14 1 1 A 23 23 SER H H 23 8.200 8.117 0.083 1
1 152 . 14 1 1 A 23 23 SER HA H 23 4.370 4.323 0.047 1
1 155 . 14 1 1 A 23 23 SER CA C 23 59.700 62.476 -2.776 1
1 156 . 14 1 1 A 23 23 SER CB C 23 64.500 62.884 1.616 1
1 157 . 14 1 1 A 23 23 SER N N 23 111.800 118.101 -6.301 1
1 158 . 14 1 1 A 24 24 HIS H H 24 9.070 7.759 1.311 1
1 159 . 14 1 1 A 24 24 HIS HA H 24 4.790 4.523 0.267 1
1 164 . 14 1 1 A 24 24 HIS C C 24 175.100 175.336 -0.236 1
1 165 . 14 1 1 A 24 24 HIS CA C 24 57.000 55.383 1.617 1
1 166 . 14 1 1 A 24 24 HIS CB C 24 31.300 30.780 0.520 1
1 169 . 14 1 1 A 24 24 HIS N N 24 121.900 117.120 4.780 1
1 171 . 14 1 1 A 25 25 ASN H H 25 8.420 9.105 -0.685 1
1 172 . 14 1 1 A 25 25 ASN HA H 25 4.710 4.651 0.059 1
1 177 . 14 1 1 A 25 25 ASN C C 25 173.900 175.291 -1.391 1
1 178 . 14 1 1 A 25 25 ASN CA C 25 52.800 53.884 -1.084 1
1 179 . 14 1 1 A 25 25 ASN CB C 25 39.500 37.624 1.876 1
1 181 . 14 1 1 A 25 25 ASN N N 25 119.300 121.351 -2.051 1
1 183 . 14 1 1 A 26 26 ASP H H 26 8.130 8.996 -0.866 1
1 184 . 14 1 1 A 26 26 ASP HA H 26 4.660 4.818 -0.158 1
1 187 . 14 1 1 A 26 26 ASP C C 26 176.300 176.291 0.009 1
1 188 . 14 1 1 A 26 26 ASP CA C 26 53.600 54.868 -1.268 1
1 189 . 14 1 1 A 26 26 ASP CB C 26 40.900 41.160 -0.260 1
1 190 . 14 1 1 A 26 26 ASP N N 26 115.800 125.441 -9.641 1
1 191 . 14 1 1 A 27 27 ALA H H 27 8.330 7.345 0.985 1
1 192 . 14 1 1 A 27 27 ALA HA H 27 4.210 4.140 0.070 1
1 196 . 14 1 1 A 27 27 ALA C C 27 178.500 176.865 1.635 1
1 197 . 14 1 1 A 27 27 ALA CA C 27 53.100 52.514 0.586 1
1 198 . 14 1 1 A 27 27 ALA CB C 27 19.200 18.831 0.369 1
1 199 . 14 1 1 A 27 27 ALA N N 27 124.500 123.388 1.112 1
1 200 . 14 1 1 A 28 28 VAL H H 28 8.310 8.502 -0.192 1
1 201 . 14 1 1 A 28 28 VAL HA H 28 4.360 4.523 -0.163 1
1 209 . 14 1 1 A 28 28 VAL CA C 28 61.000 60.152 0.848 1
1 210 . 14 1 1 A 28 28 VAL CB C 28 35.000 34.852 0.148 1
1 213 . 14 1 1 A 28 28 VAL N N 28 124.500 123.474 1.026 1
1 214 . 14 1 1 A 29 29 ALA H H 29 8.460 8.482 -0.022 1
1 215 . 14 1 1 A 29 29 ALA HA H 29 4.590 5.251 -0.661 1
1 219 . 14 1 1 A 29 29 ALA C C 29 175.800 175.970 -0.170 1
1 220 . 14 1 1 A 29 29 ALA CA C 29 50.400 49.743 0.657 1
1 221 . 14 1 1 A 29 29 ALA CB C 29 20.100 21.763 -1.663 1
1 222 . 14 1 1 A 30 30 PHE H H 30 8.640 8.775 -0.135 1
1 223 . 14 1 1 A 30 30 PHE HA H 30 4.870 5.000 -0.130 1
1 231 . 14 1 1 A 30 30 PHE C C 30 175.800 175.524 0.276 1
1 232 . 14 1 1 A 30 30 PHE CA C 30 57.300 56.455 0.845 1
1 233 . 14 1 1 A 30 30 PHE CB C 30 41.600 41.698 -0.098 1
1 239 . 14 1 1 A 30 30 PHE N N 30 122.100 118.960 3.140 1
1 240 . 14 1 1 A 31 31 GLU H H 31 8.670 8.967 -0.297 1
1 241 . 14 1 1 A 31 31 GLU HA H 31 3.530 3.850 -0.320 1
1 246 . 14 1 1 A 31 31 GLU C C 31 174.700 175.242 -0.542 1
1 247 . 14 1 1 A 31 31 GLU CA C 31 57.200 57.306 -0.106 1
1 248 . 14 1 1 A 31 31 GLU CB C 31 27.600 28.273 -0.673 1
1 250 . 14 1 1 A 31 31 GLU N N 31 118.900 119.464 -0.564 1
1 251 . 14 1 1 A 32 32 VAL H H 32 9.100 8.050 1.050 1
1 252 . 14 1 1 A 32 32 VAL HA H 32 3.770 4.404 -0.634 1
1 260 . 14 1 1 A 32 32 VAL C C 32 175.400 174.657 0.743 1
1 261 . 14 1 1 A 32 32 VAL CA C 32 62.900 61.575 1.325 1
1 262 . 14 1 1 A 32 32 VAL CB C 32 32.200 32.480 -0.280 1
1 265 . 14 1 1 A 32 32 VAL N N 32 122.300 116.196 6.104 1
1 266 . 14 1 1 A 33 33 LYS H H 33 8.330 8.688 -0.358 1
1 267 . 14 1 1 A 33 33 LYS HA H 33 4.980 4.842 0.138 1
1 276 . 14 1 1 A 33 33 LYS C C 33 176.300 175.308 0.992 1
1 277 . 14 1 1 A 33 33 LYS CA C 33 55.700 56.266 -0.566 1
1 278 . 14 1 1 A 33 33 LYS CB C 33 33.500 32.958 0.542 1
1 282 . 14 1 1 A 33 33 LYS N N 33 128.300 126.261 2.039 1
1 283 . 14 1 1 A 34 34 LEU H H 34 9.140 8.481 0.659 1
1 284 . 14 1 1 A 34 34 LEU HA H 34 4.750 5.052 -0.302 1
1 294 . 14 1 1 A 34 34 LEU C C 34 175.000 176.120 -1.120 1
1 295 . 14 1 1 A 34 34 LEU CA C 34 52.900 53.348 -0.448 1
1 296 . 14 1 1 A 34 34 LEU CB C 34 46.700 46.013 0.687 1
1 300 . 14 1 1 A 34 34 LEU N N 34 126.700 127.857 -1.157 1
1 301 . 14 1 1 A 35 35 ALA H H 35 8.650 8.895 -0.245 1
1 302 . 14 1 1 A 35 35 ALA HA H 35 4.100 4.253 -0.153 1
1 306 . 14 1 1 A 35 35 ALA C C 35 178.000 177.953 0.047 1
1 307 . 14 1 1 A 35 35 ALA CA C 35 52.300 52.126 0.174 1
1 308 . 14 1 1 A 35 35 ALA CB C 35 19.100 18.992 0.108 1
1 309 . 14 1 1 A 35 35 ALA N N 35 126.600 126.935 -0.335 1
1 310 . 14 1 1 A 36 36 LYS H H 36 8.230 8.819 -0.589 1
1 311 . 14 1 1 A 36 36 LYS HA H 36 3.710 4.147 -0.437 1
1 320 . 14 1 1 A 36 36 LYS C C 36 176.000 177.656 -1.656 1
1 321 . 14 1 1 A 36 36 LYS CA C 36 59.800 58.433 1.367 1
1 322 . 14 1 1 A 36 36 LYS CB C 36 33.200 32.027 1.173 1
1 326 . 14 1 1 A 36 36 LYS N N 36 119.200 125.620 -6.420 1
1 327 . 14 1 1 A 37 37 ASP H H 37 8.060 7.963 0.097 1
1 328 . 14 1 1 A 37 37 ASP HA H 37 4.470 4.582 -0.112 1
1 331 . 14 1 1 A 37 37 ASP C C 37 176.800 176.452 0.348 1
1 332 . 14 1 1 A 37 37 ASP CA C 37 53.000 54.734 -1.734 1
1 333 . 14 1 1 A 37 37 ASP CB C 37 39.700 41.074 -1.374 1
1 334 . 14 1 1 A 37 37 ASP N N 37 112.700 117.577 -4.877 1
1 335 . 14 1 1 A 38 38 LEU H H 38 7.170 6.994 0.176 1
1 336 . 14 1 1 A 38 38 LEU HA H 38 4.280 4.209 0.071 1
1 346 . 14 1 1 A 38 38 LEU C C 38 177.600 177.136 0.464 1
1 347 . 14 1 1 A 38 38 LEU CA C 38 55.800 54.757 1.043 1
1 348 . 14 1 1 A 38 38 LEU CB C 38 43.900 42.729 1.171 1
1 352 . 14 1 1 A 38 38 LEU N N 38 122.100 121.387 0.713 1
1 353 . 14 1 1 A 39 39 THR H H 39 8.430 8.596 -0.166 1
1 354 . 14 1 1 A 39 39 THR HA H 39 5.010 4.743 0.267 1
1 360 . 14 1 1 A 39 39 THR C C 39 176.500 176.161 0.339 1
1 361 . 14 1 1 A 39 39 THR CA C 39 60.900 60.410 0.490 1
1 362 . 14 1 1 A 39 39 THR CB C 39 71.200 71.469 -0.269 1
1 364 . 14 1 1 A 39 39 THR N N 39 112.800 114.879 -2.079 1
1 365 . 14 1 1 A 40 40 VAL H H 40 8.740 8.361 0.379 1
1 366 . 14 1 1 A 40 40 VAL HA H 40 3.530 3.692 -0.162 1
1 374 . 14 1 1 A 40 40 VAL C C 40 178.200 177.376 0.824 1
1 375 . 14 1 1 A 40 40 VAL CA C 40 67.300 66.656 0.644 1
1 376 . 14 1 1 A 40 40 VAL CB C 40 31.600 31.645 -0.045 1
1 379 . 14 1 1 A 40 40 VAL N N 40 123.600 122.331 1.269 1
1 380 . 14 1 1 A 41 41 ALA H H 41 8.520 8.217 0.303 1
1 381 . 14 1 1 A 41 41 ALA HA H 41 3.950 3.883 0.067 1
1 385 . 14 1 1 A 41 41 ALA C C 41 180.700 179.957 0.743 1
1 386 . 14 1 1 A 41 41 ALA CA C 41 56.100 55.627 0.473 1
1 387 . 14 1 1 A 41 41 ALA CB C 41 18.800 18.211 0.589 1
1 388 . 14 1 1 A 41 41 ALA N N 41 121.400 122.308 -0.908 1
1 389 . 14 1 1 A 42 42 GLN H H 42 7.740 7.748 -0.008 1
1 390 . 14 1 1 A 42 42 GLN HA H 42 4.060 4.050 0.010 1
1 397 . 14 1 1 A 42 42 GLN C C 42 180.300 178.661 1.639 1
1 398 . 14 1 1 A 42 42 GLN CA C 42 58.600 58.828 -0.228 1
1 399 . 14 1 1 A 42 42 GLN CB C 42 29.200 28.600 0.600 1
1 402 . 14 1 1 A 42 42 GLN N N 42 117.500 118.186 -0.686 1
1 404 . 14 1 1 A 43 43 LEU H H 43 9.210 7.922 1.288 1
1 405 . 14 1 1 A 43 43 LEU HA H 43 3.940 4.122 -0.182 1
1 415 . 14 1 1 A 43 43 LEU C C 43 178.300 178.764 -0.464 1
1 416 . 14 1 1 A 43 43 LEU CA C 43 57.900 57.727 0.173 1
1 417 . 14 1 1 A 43 43 LEU CB C 43 41.300 41.695 -0.395 1
1 421 . 14 1 1 A 43 43 LEU N N 43 123.000 121.283 1.717 1
1 422 . 14 1 1 A 44 44 LYS H H 44 8.740 8.042 0.698 1
1 423 . 14 1 1 A 44 44 LYS HA H 44 3.860 3.952 -0.092 1
1 432 . 14 1 1 A 44 44 LYS C C 44 178.300 179.075 -0.775 1
1 433 . 14 1 1 A 44 44 LYS CA C 44 61.100 59.322 1.778 1
1 434 . 14 1 1 A 44 44 LYS CB C 44 32.800 32.242 0.558 1
1 438 . 14 1 1 A 44 44 LYS N N 44 119.300 118.877 0.423 1
1 439 . 14 1 1 A 45 45 THR H H 45 7.440 7.751 -0.311 1
1 440 . 14 1 1 A 45 45 THR HA H 45 3.930 3.845 0.085 1
1 445 . 14 1 1 A 45 45 THR C C 45 176.700 176.550 0.150 1
1 446 . 14 1 1 A 45 45 THR CA C 45 67.100 67.234 -0.134 1
1 447 . 14 1 1 A 45 45 THR CB C 45 68.800 68.342 0.458 1
1 449 . 14 1 1 A 45 45 THR N N 45 114.000 118.257 -4.257 1
1 450 . 14 1 1 A 46 46 LYS H H 46 7.500 7.678 -0.178 1
1 451 . 14 1 1 A 46 46 LYS HA H 46 4.100 4.007 0.093 1
1 460 . 14 1 1 A 46 46 LYS C C 46 179.700 179.628 0.072 1
1 461 . 14 1 1 A 46 46 LYS CA C 46 59.400 59.933 -0.533 1
1 462 . 14 1 1 A 46 46 LYS CB C 46 32.100 32.351 -0.251 1
1 466 . 14 1 1 A 46 46 LYS N N 46 121.700 120.375 1.325 1
1 467 . 14 1 1 A 47 47 LEU H H 47 9.010 8.447 0.563 1
1 468 . 14 1 1 A 47 47 LEU HA H 47 4.040 3.943 0.097 1
1 478 . 14 1 1 A 47 47 LEU C C 47 180.000 178.780 1.220 1
1 479 . 14 1 1 A 47 47 LEU CA C 47 57.200 58.071 -0.871 1
1 480 . 14 1 1 A 47 47 LEU CB C 47 40.700 41.118 -0.418 1
1 484 . 14 1 1 A 47 47 LEU N N 47 118.000 119.840 -1.840 1
1 485 . 14 1 1 A 48 48 GLU H H 48 8.450 8.553 -0.103 1
1 486 . 14 1 1 A 48 48 GLU HA H 48 4.050 3.949 0.101 1
1 491 . 14 1 1 A 48 48 GLU C C 48 178.800 179.289 -0.489 1
1 492 . 14 1 1 A 48 48 GLU CA C 48 59.700 59.439 0.261 1
1 493 . 14 1 1 A 48 48 GLU CB C 48 29.400 29.456 -0.056 1
1 495 . 14 1 1 A 48 48 GLU N N 48 126.300 120.238 6.062 1
1 496 . 14 1 1 A 49 49 ILE H H 49 7.180 7.496 -0.316 1
1 497 . 14 1 1 A 49 49 ILE HA H 49 3.780 3.704 0.076 1
1 507 . 14 1 1 A 49 49 ILE C C 49 178.000 178.390 -0.390 1
1 508 . 14 1 1 A 49 49 ILE CA C 49 64.000 65.120 -1.120 1
1 509 . 14 1 1 A 49 49 ILE CB C 49 38.100 37.905 0.195 1
1 513 . 14 1 1 A 49 49 ILE N N 49 119.600 120.151 -0.551 1
1 514 . 14 1 1 A 50 50 LEU H H 50 7.520 7.985 -0.465 1
1 515 . 14 1 1 A 50 50 LEU HA H 50 4.160 3.966 0.194 1
1 525 . 14 1 1 A 50 50 LEU C C 50 178.400 178.601 -0.201 1
1 526 . 14 1 1 A 50 50 LEU CA C 50 57.500 58.084 -0.584 1
1 527 . 14 1 1 A 50 50 LEU CB C 50 44.300 41.657 2.643 1
1 531 . 14 1 1 A 50 50 LEU N N 50 116.800 121.605 -4.805 1
1 532 . 14 1 1 A 51 51 THR H H 51 8.160 8.280 -0.120 1
1 533 . 14 1 1 A 51 51 THR HA H 51 4.490 4.418 0.072 1
1 538 . 14 1 1 A 51 51 THR C C 51 175.600 176.240 -0.640 1
1 539 . 14 1 1 A 51 51 THR CA C 51 62.400 62.337 0.063 1
1 540 . 14 1 1 A 51 51 THR CB C 51 72.900 70.697 2.203 1
1 542 . 14 1 1 A 51 51 THR N N 51 104.100 107.270 -3.170 1
1 543 . 14 1 1 A 52 52 GLY H H 52 8.080 8.237 -0.157 1
1 544 . 14 1 1 A 52 52 GLY HA2 H 52 3.830 3.938 -0.108 1
1 545 . 14 1 1 A 52 52 GLY HA3 H 52 4.250 3.938 0.312 1
1 546 . 14 1 1 A 52 52 GLY C C 52 174.800 174.793 0.007 1
1 547 . 14 1 1 A 52 52 GLY CA C 52 45.500 45.705 -0.205 1
1 548 . 14 1 1 A 52 52 GLY N N 52 112.100 112.191 -0.091 1
1 549 . 14 1 1 A 53 53 GLY H H 53 7.880 7.743 0.137 1
1 550 . 14 1 1 A 53 53 GLY HA2 H 53 3.220 4.010 -0.790 1
1 551 . 14 1 1 A 53 53 GLY HA3 H 53 4.040 4.012 0.028 1
1 552 . 14 1 1 A 53 53 GLY C C 53 170.900 172.423 -1.523 1
1 553 . 14 1 1 A 53 53 GLY CA C 53 44.300 44.425 -0.125 1
1 554 . 14 1 1 A 53 53 GLY N N 53 107.000 107.730 -0.730 1
1 555 . 14 1 1 A 54 54 CYS H H 54 8.690 8.332 0.358 1
1 556 . 14 1 1 A 54 54 CYS HA H 54 4.430 4.755 -0.325 1
1 559 . 14 1 1 A 54 54 CYS C C 54 176.100 176.289 -0.189 1
1 560 . 14 1 1 A 54 54 CYS CA C 54 57.900 57.826 0.074 1
1 561 . 14 1 1 A 54 54 CYS CB C 54 27.800 29.833 -2.033 1
1 562 . 14 1 1 A 54 54 CYS N N 54 120.200 118.577 1.623 1
1 563 . 14 1 1 A 55 55 ALA H H 55 10.100 9.082 1.018 1
1 564 . 14 1 1 A 55 55 ALA HA H 55 3.890 4.064 -0.174 1
1 568 . 14 1 1 A 55 55 ALA C C 55 178.900 178.600 0.300 1
1 569 . 14 1 1 A 55 55 ALA CA C 55 55.700 54.520 1.180 1
1 570 . 14 1 1 A 55 55 ALA CB C 55 18.500 18.491 0.009 1
1 571 . 14 1 1 A 55 55 ALA N N 55 133.900 130.164 3.736 1
1 572 . 14 1 1 A 56 56 GLY H H 56 8.380 8.169 0.211 1
1 573 . 14 1 1 A 56 56 GLY HA2 H 56 3.910 3.941 -0.031 1
1 574 . 14 1 1 A 56 56 GLY HA3 H 56 3.910 3.941 -0.031 1
1 575 . 14 1 1 A 56 56 GLY C C 56 174.600 174.457 0.143 1
1 576 . 14 1 1 A 56 56 GLY CA C 56 45.900 45.949 -0.049 1
1 577 . 14 1 1 A 56 56 GLY N N 56 104.300 106.699 -2.399 1
1 578 . 14 1 1 A 57 57 THR H H 57 7.310 7.739 -0.429 1
1 579 . 14 1 1 A 57 57 THR HA H 57 4.520 4.625 -0.105 1
1 584 . 14 1 1 A 57 57 THR C C 57 175.500 174.113 1.387 1
1 585 . 14 1 1 A 57 57 THR CA C 57 61.400 61.526 -0.126 1
1 586 . 14 1 1 A 57 57 THR CB C 57 69.900 70.521 -0.621 1
1 588 . 14 1 1 A 57 57 THR N N 57 107.700 114.188 -6.488 1
1 589 . 14 1 1 A 58 58 MET H H 58 7.910 7.591 0.319 1
1 590 . 14 1 1 A 58 58 MET HA H 58 4.540 4.691 -0.151 1
1 598 . 14 1 1 A 58 58 MET C C 58 175.100 175.587 -0.487 1
1 599 . 14 1 1 A 58 58 MET CA C 58 56.900 55.580 1.320 1
1 600 . 14 1 1 A 58 58 MET CB C 58 33.700 33.461 0.239 1
1 603 . 14 1 1 A 58 58 MET N N 58 120.700 122.240 -1.540 1
1 604 . 14 1 1 A 59 59 LYS H H 59 8.780 8.419 0.361 1
1 605 . 14 1 1 A 59 59 LYS HA H 59 4.610 5.000 -0.390 1
1 614 . 14 1 1 A 59 59 LYS C C 59 174.500 175.036 -0.536 1
1 615 . 14 1 1 A 59 59 LYS CA C 59 54.500 54.727 -0.227 1
1 616 . 14 1 1 A 59 59 LYS CB C 59 34.700 35.493 -0.793 1
1 620 . 14 1 1 A 59 59 LYS N N 59 122.400 125.618 -3.218 1
1 621 . 14 1 1 A 60 60 VAL H H 60 8.740 8.641 0.099 1
1 622 . 14 1 1 A 60 60 VAL HA H 60 4.700 4.991 -0.291 1
1 630 . 14 1 1 A 60 60 VAL C C 60 175.000 174.992 0.008 1
1 631 . 14 1 1 A 60 60 VAL CA C 60 61.300 60.797 0.503 1
1 632 . 14 1 1 A 60 60 VAL CB C 60 33.400 34.346 -0.946 1
1 635 . 14 1 1 A 60 60 VAL N N 60 122.100 122.574 -0.474 1
1 636 . 14 1 1 A 61 61 GLN H H 61 9.250 8.608 0.642 1
1 637 . 14 1 1 A 61 61 GLN HA H 61 4.790 4.979 -0.189 1
1 644 . 14 1 1 A 61 61 GLN C C 61 174.700 174.538 0.162 1
1 645 . 14 1 1 A 61 61 GLN CA C 61 54.200 53.945 0.255 1
1 646 . 14 1 1 A 61 61 GLN CB C 61 32.800 33.043 -0.243 1
1 649 . 14 1 1 A 61 61 GLN N N 61 126.400 125.508 0.892 1
1 651 . 14 1 1 A 62 62 VAL H H 62 8.690 8.166 0.524 1
1 652 . 14 1 1 A 62 62 VAL HA H 62 4.650 4.650 0.000 1
1 660 . 14 1 1 A 62 62 VAL C C 62 174.700 174.871 -0.171 1
1 661 . 14 1 1 A 62 62 VAL CA C 62 61.800 61.370 0.430 1
1 662 . 14 1 1 A 62 62 VAL CB C 62 32.500 32.463 0.037 1
1 665 . 14 1 1 A 62 62 VAL N N 62 121.700 123.161 -1.461 1
1 666 . 14 1 1 A 63 63 PHE H H 63 10.020 9.193 0.827 1
1 667 . 14 1 1 A 63 63 PHE HA H 63 5.170 5.239 -0.069 1
1 675 . 14 1 1 A 63 63 PHE C C 63 175.100 174.410 0.690 1
1 676 . 14 1 1 A 63 63 PHE CA C 63 56.800 55.860 0.940 1
1 677 . 14 1 1 A 63 63 PHE CB C 63 42.900 43.497 -0.597 1
1 683 . 14 1 1 A 63 63 PHE N N 63 127.100 125.764 1.336 1
1 684 . 14 1 1 A 64 64 LYS H H 64 8.710 8.768 -0.058 1
1 685 . 14 1 1 A 64 64 LYS HA H 64 4.650 4.623 0.027 1
1 694 . 14 1 1 A 64 64 LYS C C 64 176.900 176.620 0.280 1
1 695 . 14 1 1 A 64 64 LYS CA C 64 55.100 54.806 0.294 1
1 696 . 14 1 1 A 64 64 LYS CB C 64 34.100 33.552 0.548 1
1 700 . 14 1 1 A 64 64 LYS N N 64 123.900 123.419 0.481 1
1 701 . 14 1 1 A 65 65 GLY H H 65 9.160 8.985 0.175 1
1 702 . 14 1 1 A 65 65 GLY HA2 H 65 3.680 3.890 -0.210 1
1 703 . 14 1 1 A 65 65 GLY HA3 H 65 4.050 3.896 0.154 1
1 704 . 14 1 1 A 65 65 GLY C C 65 174.600 174.213 0.387 1
1 705 . 14 1 1 A 65 65 GLY CA C 65 47.200 47.174 0.026 1
1 706 . 14 1 1 A 65 65 GLY N N 65 118.800 115.055 3.745 1
1 707 . 14 1 1 A 66 66 ASP H H 66 8.760 8.677 0.083 1
1 708 . 14 1 1 A 66 66 ASP HA H 66 4.700 4.713 -0.013 1
1 711 . 14 1 1 A 66 66 ASP C C 66 176.000 174.372 1.628 1
1 712 . 14 1 1 A 66 66 ASP CA C 66 54.300 53.550 0.750 1
1 713 . 14 1 1 A 66 66 ASP CB C 66 41.300 41.886 -0.586 1
1 714 . 14 1 1 A 66 66 ASP N N 66 126.400 125.903 0.497 1
1 715 . 14 1 1 A 67 67 THR H H 67 8.020 7.541 0.479 1
1 716 . 14 1 1 A 67 67 THR HA H 67 4.300 5.003 -0.703 1
1 721 . 14 1 1 A 67 67 THR C C 67 172.100 172.508 -0.408 1
1 722 . 14 1 1 A 67 67 THR CA C 67 62.400 60.342 2.058 1
1 723 . 14 1 1 A 67 67 THR CB C 67 70.700 72.096 -1.396 1
1 725 . 14 1 1 A 67 67 THR N N 67 117.500 113.963 3.537 1
1 726 . 14 1 1 A 68 68 CYS H H 68 8.940 8.623 0.317 1
1 727 . 14 1 1 A 68 68 CYS HA H 68 3.400 4.419 -1.019 1
1 730 . 14 1 1 A 68 68 CYS C C 68 174.900 174.143 0.757 1
1 731 . 14 1 1 A 68 68 CYS CA C 68 58.700 57.859 0.841 1
1 732 . 14 1 1 A 68 68 CYS CB C 68 25.600 28.041 -2.441 1
1 733 . 14 1 1 A 68 68 CYS N N 68 129.500 124.588 4.912 1
1 734 . 14 1 1 A 69 69 VAL H H 69 9.090 8.612 0.478 1
1 735 . 14 1 1 A 69 69 VAL HA H 69 4.150 4.046 0.104 1
1 743 . 14 1 1 A 69 69 VAL C C 69 176.300 175.746 0.554 1
1 744 . 14 1 1 A 69 69 VAL CA C 69 62.900 63.661 -0.761 1
1 745 . 14 1 1 A 69 69 VAL CB C 69 32.800 32.530 0.270 1
1 748 . 14 1 1 A 69 69 VAL N N 69 127.500 125.282 2.218 1
1 749 . 14 1 1 A 70 70 SER H H 70 7.640 7.324 0.316 1
1 750 . 14 1 1 A 70 70 SER HA H 70 4.550 4.526 0.024 1
1 753 . 14 1 1 A 70 70 SER C C 70 172.300 171.576 0.724 1
1 754 . 14 1 1 A 70 70 SER CA C 70 58.700 57.207 1.493 1
1 755 . 14 1 1 A 70 70 SER CB C 70 65.100 65.447 -0.347 1
1 756 . 14 1 1 A 70 70 SER N N 70 113.400 111.019 2.381 1
1 757 . 14 1 1 A 71 71 THR H H 71 8.220 8.499 -0.279 1
1 758 . 14 1 1 A 71 71 THR HA H 71 4.580 4.639 -0.059 1
1 763 . 14 1 1 A 71 71 THR C C 71 174.000 174.054 -0.054 1
1 764 . 14 1 1 A 71 71 THR CA C 71 61.800 61.231 0.569 1
1 765 . 14 1 1 A 71 71 THR CB C 71 70.500 70.610 -0.110 1
1 767 . 14 1 1 A 71 71 THR N N 71 114.500 118.109 -3.609 1
1 768 . 14 1 1 A 72 72 MET H H 72 8.260 8.880 -0.620 1
1 769 . 14 1 1 A 72 72 MET HA H 72 2.990 3.992 -1.002 1
1 777 . 14 1 1 A 72 72 MET C C 72 175.700 176.275 -0.575 1
1 778 . 14 1 1 A 72 72 MET CA C 72 55.100 53.901 1.199 1
1 779 . 14 1 1 A 72 72 MET CB C 72 30.200 30.403 -0.203 1
1 782 . 14 1 1 A 72 72 MET N N 72 121.800 125.638 -3.838 1
1 783 . 14 1 1 A 73 73 ASP H H 73 7.830 8.378 -0.548 1
1 784 . 14 1 1 A 73 73 ASP HA H 73 4.370 4.665 -0.295 1
1 787 . 14 1 1 A 73 73 ASP C C 73 175.100 175.540 -0.440 1
1 788 . 14 1 1 A 73 73 ASP CA C 73 55.800 54.069 1.731 1
1 789 . 14 1 1 A 73 73 ASP CB C 73 41.800 41.433 0.367 1
1 790 . 14 1 1 A 73 73 ASP N N 73 125.100 122.494 2.606 1
1 791 . 14 1 1 A 74 74 ASN H H 74 7.480 7.764 -0.284 1
1 792 . 14 1 1 A 74 74 ASN HA H 74 4.890 4.771 0.119 1
1 797 . 14 1 1 A 74 74 ASN C C 74 175.800 176.092 -0.292 1
1 798 . 14 1 1 A 74 74 ASN CA C 74 51.600 52.477 -0.877 1
1 799 . 14 1 1 A 74 74 ASN CB C 74 38.800 39.287 -0.487 1
1 801 . 14 1 1 A 74 74 ASN N N 74 116.400 118.440 -2.040 1
1 803 . 14 1 1 A 75 75 ASN H H 75 8.870 8.932 -0.062 1
1 804 . 14 1 1 A 75 75 ASN HA H 75 4.390 4.496 -0.106 1
1 809 . 14 1 1 A 75 75 ASN C C 75 175.700 176.560 -0.860 1
1 810 . 14 1 1 A 75 75 ASN CA C 75 55.600 55.542 0.058 1
1 811 . 14 1 1 A 75 75 ASN CB C 75 39.200 38.441 0.759 1
1 813 . 14 1 1 A 75 75 ASN N N 75 123.600 124.447 -0.847 1
1 815 . 14 1 1 A 76 76 ASP H H 76 8.060 8.103 -0.043 1
1 816 . 14 1 1 A 76 76 ASP HA H 76 4.750 4.664 0.086 1
1 819 . 14 1 1 A 76 76 ASP C C 76 176.200 176.312 -0.112 1
1 820 . 14 1 1 A 76 76 ASP CA C 76 54.200 54.747 -0.547 1
1 821 . 14 1 1 A 76 76 ASP CB C 76 41.700 41.050 0.650 1
1 822 . 14 1 1 A 76 76 ASP N N 76 115.100 117.426 -2.326 1
1 823 . 14 1 1 A 77 77 ALA H H 77 7.140 7.200 -0.060 1
1 824 . 14 1 1 A 77 77 ALA HA H 77 4.160 4.152 0.008 1
1 828 . 14 1 1 A 77 77 ALA C C 77 176.100 177.202 -1.102 1
1 829 . 14 1 1 A 77 77 ALA CA C 77 51.400 51.913 -0.513 1
1 830 . 14 1 1 A 77 77 ALA CB C 77 20.100 19.869 0.231 1
1 831 . 14 1 1 A 77 77 ALA N N 77 122.600 122.870 -0.270 1
1 832 . 14 1 1 A 78 78 GLN H H 78 8.090 8.947 -0.857 1
1 833 . 14 1 1 A 78 78 GLN HA H 78 4.750 4.528 0.222 1
1 840 . 14 1 1 A 78 78 GLN C C 78 177.900 177.788 0.112 1
1 841 . 14 1 1 A 78 78 GLN CA C 78 55.200 55.061 0.139 1
1 842 . 14 1 1 A 78 78 GLN CB C 78 29.500 29.741 -0.241 1
1 845 . 14 1 1 A 78 78 GLN N N 78 116.500 120.367 -3.867 1
1 847 . 14 1 1 A 79 79 LEU H H 79 9.380 9.101 0.279 1
1 848 . 14 1 1 A 79 79 LEU HA H 79 4.060 4.187 -0.127 1
1 858 . 14 1 1 A 79 79 LEU C C 79 179.200 179.171 0.029 1
1 859 . 14 1 1 A 79 79 LEU CA C 79 58.900 57.996 0.904 1
1 860 . 14 1 1 A 79 79 LEU CB C 79 42.000 41.611 0.389 1
1 864 . 14 1 1 A 79 79 LEU N N 79 123.800 126.108 -2.308 1
1 865 . 14 1 1 A 80 80 GLY H H 80 9.130 7.913 1.217 1
1 866 . 14 1 1 A 80 80 GLY HA2 H 80 3.750 3.921 -0.171 1
1 867 . 14 1 1 A 80 80 GLY HA3 H 80 4.160 3.951 0.209 1
1 868 . 14 1 1 A 80 80 GLY C C 80 174.100 174.975 -0.875 1
1 869 . 14 1 1 A 80 80 GLY CA C 80 45.600 46.215 -0.615 1
1 870 . 14 1 1 A 80 80 GLY N N 80 104.000 106.194 -2.194 1
1 871 . 14 1 1 A 81 81 TYR H H 81 7.900 8.045 -0.145 1
1 872 . 14 1 1 A 81 81 TYR HA H 81 4.000 3.910 0.090 1
1 879 . 14 1 1 A 81 81 TYR C C 81 176.300 176.608 -0.308 1
1 880 . 14 1 1 A 81 81 TYR CA C 81 60.600 60.712 -0.112 1
1 881 . 14 1 1 A 81 81 TYR CB C 81 38.700 38.276 0.424 1
1 886 . 14 1 1 A 81 81 TYR N N 81 120.300 122.149 -1.849 1
1 887 . 14 1 1 A 82 82 TYR H H 82 7.430 7.842 -0.412 1
1 888 . 14 1 1 A 82 82 TYR HA H 82 4.340 4.641 -0.301 1
1 895 . 14 1 1 A 82 82 TYR C C 82 175.500 176.551 -1.051 1
1 896 . 14 1 1 A 82 82 TYR CA C 82 58.700 59.131 -0.431 1
1 897 . 14 1 1 A 82 82 TYR CB C 82 41.500 40.417 1.083 1
1 902 . 14 1 1 A 82 82 TYR N N 82 114.000 114.947 -0.947 1
1 903 . 14 1 1 A 83 83 ALA H H 83 8.430 7.602 0.828 1
1 904 . 14 1 1 A 83 83 ALA HA H 83 4.380 4.511 -0.131 1
1 908 . 14 1 1 A 83 83 ALA C C 83 173.400 177.857 -4.457 1
1 909 . 14 1 1 A 83 83 ALA CA C 83 51.000 50.771 0.229 1
1 910 . 14 1 1 A 83 83 ALA CB C 83 19.500 18.399 1.101 1
1 911 . 14 1 1 A 83 83 ALA N N 83 122.900 121.457 1.443 1
1 912 . 14 1 1 A 84 84 ASN H H 84 8.050 8.667 -0.617 1
1 913 . 14 1 1 A 84 84 ASN HA H 84 4.760 4.925 -0.165 1
1 918 . 14 1 1 A 84 84 ASN C C 84 174.600 174.723 -0.123 1
1 919 . 14 1 1 A 84 84 ASN CA C 84 52.200 53.832 -1.632 1
1 920 . 14 1 1 A 84 84 ASN CB C 84 39.300 39.288 0.012 1
1 922 . 14 1 1 A 84 84 ASN N N 84 117.300 122.904 -5.604 1
1 924 . 14 1 1 A 85 85 SER H H 85 7.180 7.806 -0.626 1
1 925 . 14 1 1 A 85 85 SER HA H 85 4.670 5.154 -0.484 1
1 928 . 14 1 1 A 85 85 SER C C 85 172.000 172.374 -0.374 1
1 929 . 14 1 1 A 85 85 SER CA C 85 56.900 56.571 0.329 1
1 930 . 14 1 1 A 85 85 SER CB C 85 66.000 66.117 -0.117 1
1 931 . 14 1 1 A 85 85 SER N N 85 112.200 112.389 -0.189 1
1 932 . 14 1 1 A 86 86 ASP H H 86 8.320 8.776 -0.456 1
1 933 . 14 1 1 A 86 86 ASP HA H 86 4.920 4.755 0.165 1
1 936 . 14 1 1 A 86 86 ASP C C 86 178.100 177.167 0.933 1
1 937 . 14 1 1 A 86 86 ASP CA C 86 55.000 54.333 0.667 1
1 938 . 14 1 1 A 86 86 ASP CB C 86 42.000 41.909 0.091 1
1 939 . 14 1 1 A 86 86 ASP N N 86 119.100 121.969 -2.869 1
1 940 . 14 1 1 A 87 87 GLY H H 87 8.910 8.588 0.322 1
1 941 . 14 1 1 A 87 87 GLY HA2 H 87 3.850 3.992 -0.142 1
1 942 . 14 1 1 A 87 87 GLY HA3 H 87 4.110 3.999 0.111 1
1 943 . 14 1 1 A 87 87 GLY C C 87 175.400 174.375 1.025 1
1 944 . 14 1 1 A 87 87 GLY CA C 87 46.100 45.204 0.896 1
1 945 . 14 1 1 A 87 87 GLY N N 87 107.900 110.175 -2.275 1
1 946 . 14 1 1 A 88 88 LEU H H 88 8.290 7.794 0.496 1
1 947 . 14 1 1 A 88 88 LEU HA H 88 4.740 4.453 0.287 1
1 957 . 14 1 1 A 88 88 LEU C C 88 175.000 176.110 -1.110 1
1 958 . 14 1 1 A 88 88 LEU CA C 88 54.500 54.703 -0.203 1
1 959 . 14 1 1 A 88 88 LEU CB C 88 43.200 42.629 0.571 1
1 963 . 14 1 1 A 88 88 LEU N N 88 120.300 123.278 -2.978 1
1 964 . 14 1 1 A 89 89 ARG H H 89 8.880 8.524 0.356 1
1 965 . 14 1 1 A 89 89 ARG HA H 89 5.300 5.190 0.110 1
1 973 . 14 1 1 A 89 89 ARG C C 89 174.900 174.515 0.385 1
1 974 . 14 1 1 A 89 89 ARG CA C 89 53.600 54.631 -1.031 1
1 975 . 14 1 1 A 89 89 ARG CB C 89 34.300 33.575 0.725 1
1 979 . 14 1 1 A 89 89 ARG N N 89 121.200 123.035 -1.835 1
1 981 . 14 1 1 A 90 90 LEU H H 90 9.250 9.461 -0.211 1
1 982 . 14 1 1 A 90 90 LEU HA H 90 5.270 5.279 -0.009 1
1 992 . 14 1 1 A 90 90 LEU C C 90 173.700 175.473 -1.773 1
1 993 . 14 1 1 A 90 90 LEU CA C 90 52.900 53.650 -0.750 1
1 994 . 14 1 1 A 90 90 LEU CB C 90 42.000 43.694 -1.694 1
1 998 . 14 1 1 A 90 90 LEU N N 90 125.500 128.809 -3.309 1
1 999 . 14 1 1 A 91 91 HIS H H 91 9.600 8.930 0.670 1
1 1000 . 14 1 1 A 91 91 HIS HA H 91 5.280 5.679 -0.399 1
1 1005 . 14 1 1 A 91 91 HIS C C 91 174.300 173.374 0.926 1
1 1006 . 14 1 1 A 91 91 HIS CA C 91 54.500 53.327 1.173 1
1 1007 . 14 1 1 A 91 91 HIS CB C 91 35.200 32.599 2.601 1
1 1010 . 14 1 1 A 91 91 HIS N N 91 124.800 124.632 0.168 1
1 1013 . 14 1 1 A 92 92 VAL H H 92 8.300 9.177 -0.877 1
1 1014 . 14 1 1 A 92 92 VAL HA H 92 4.110 4.597 -0.487 1
1 1022 . 14 1 1 A 92 92 VAL C C 92 174.200 175.105 -0.905 1
1 1023 . 14 1 1 A 92 92 VAL CA C 92 62.900 61.684 1.216 1
1 1024 . 14 1 1 A 92 92 VAL CB C 92 32.600 32.811 -0.211 1
1 1027 . 14 1 1 A 92 92 VAL N N 92 128.400 127.192 1.208 1
1 1028 . 14 1 1 A 93 93 VAL H H 93 8.950 8.716 0.234 1
1 1029 . 14 1 1 A 93 93 VAL HA H 93 4.170 4.828 -0.658 1
1 1037 . 14 1 1 A 93 93 VAL C C 93 175.600 174.490 1.110 1
1 1038 . 14 1 1 A 93 93 VAL CA C 93 61.100 60.985 0.115 1
1 1039 . 14 1 1 A 93 93 VAL CB C 93 33.300 33.934 -0.634 1
1 1042 . 14 1 1 A 93 93 VAL N N 93 127.800 127.846 -0.046 1
1 1043 . 14 1 1 A 94 94 ASP H H 94 8.280 8.979 -0.699 1
1 1044 . 14 1 1 A 94 94 ASP HA H 94 4.850 5.092 -0.242 1
1 1047 . 14 1 1 A 94 94 ASP C C 94 174.700 176.433 -1.733 1
1 1048 . 14 1 1 A 94 94 ASP CA C 94 53.800 52.603 1.197 1
1 1049 . 14 1 1 A 94 94 ASP CB C 94 42.500 43.444 -0.944 1
1 1050 . 14 1 1 A 94 94 ASP N N 94 127.100 126.281 0.819 1
1 1 . 15 1 1 A 11 11 GLY C C 11 174.100 174.427 -0.327 1
1 2 . 15 1 1 A 11 11 GLY CA C 11 45.300 46.660 -1.360 1
1 3 . 15 1 1 A 12 12 LYS H H 12 8.180 7.529 0.651 1
1 4 . 15 1 1 A 12 12 LYS HA H 12 4.320 4.364 -0.044 1
1 13 . 15 1 1 A 12 12 LYS C C 12 176.700 175.946 0.754 1
1 14 . 15 1 1 A 12 12 LYS CA C 12 56.400 55.928 0.472 1
1 15 . 15 1 1 A 12 12 LYS CB C 12 33.200 33.728 -0.528 1
1 19 . 15 1 1 A 12 12 LYS N N 12 120.600 118.892 1.708 1
1 20 . 15 1 1 A 13 13 SER H H 13 8.360 8.615 -0.255 1
1 21 . 15 1 1 A 13 13 SER HA H 13 4.450 4.883 -0.433 1
1 24 . 15 1 1 A 13 13 SER C C 13 173.800 172.754 1.046 1
1 25 . 15 1 1 A 13 13 SER CA C 13 58.000 57.518 0.482 1
1 26 . 15 1 1 A 13 13 SER CB C 13 63.900 63.324 0.576 1
1 27 . 15 1 1 A 13 13 SER N N 13 116.300 117.274 -0.974 1
1 28 . 15 1 1 A 14 14 ASP H H 14 8.450 8.678 -0.228 1
1 29 . 15 1 1 A 14 14 ASP HA H 14 4.670 4.033 0.637 1
1 32 . 15 1 1 A 14 14 ASP C C 14 175.100 174.368 0.732 1
1 33 . 15 1 1 A 14 14 ASP CA C 14 54.400 54.997 -0.597 1
1 34 . 15 1 1 A 14 14 ASP CB C 14 41.500 39.057 2.443 1
1 35 . 15 1 1 A 14 14 ASP N N 14 122.400 118.506 3.894 1
1 36 . 15 1 1 A 15 15 PHE H H 15 8.110 7.719 0.391 1
1 37 . 15 1 1 A 15 15 PHE HA H 15 5.290 5.092 0.198 1
1 45 . 15 1 1 A 15 15 PHE C C 15 175.000 175.118 -0.118 1
1 46 . 15 1 1 A 15 15 PHE CA C 15 56.600 56.578 0.022 1
1 47 . 15 1 1 A 15 15 PHE CB C 15 42.600 43.080 -0.480 1
1 53 . 15 1 1 A 15 15 PHE N N 15 118.500 117.122 1.378 1
1 54 . 15 1 1 A 16 16 ILE H H 16 9.160 8.610 0.550 1
1 55 . 15 1 1 A 16 16 ILE HA H 16 4.710 5.117 -0.407 1
1 65 . 15 1 1 A 16 16 ILE C C 16 173.400 174.662 -1.262 1
1 66 . 15 1 1 A 16 16 ILE CA C 16 59.300 59.147 0.153 1
1 67 . 15 1 1 A 16 16 ILE CB C 16 42.100 42.111 -0.011 1
1 71 . 15 1 1 A 16 16 ILE N N 16 116.700 117.239 -0.539 1
1 72 . 15 1 1 A 17 17 LYS H H 17 8.530 8.852 -0.322 1
1 73 . 15 1 1 A 17 17 LYS HA H 17 5.220 5.453 -0.233 1
1 82 . 15 1 1 A 17 17 LYS C C 17 176.400 175.084 1.316 1
1 83 . 15 1 1 A 17 17 LYS CA C 17 54.900 54.871 0.029 1
1 84 . 15 1 1 A 17 17 LYS CB C 17 34.100 34.945 -0.845 1
1 88 . 15 1 1 A 17 17 LYS N N 17 123.200 122.888 0.312 1
1 89 . 15 1 1 A 18 18 VAL H H 18 8.900 8.518 0.382 1
1 90 . 15 1 1 A 18 18 VAL HA H 18 4.990 4.968 0.022 1
1 98 . 15 1 1 A 18 18 VAL C C 18 174.300 174.630 -0.330 1
1 99 . 15 1 1 A 18 18 VAL CA C 18 58.600 58.710 -0.110 1
1 100 . 15 1 1 A 18 18 VAL CB C 18 35.600 35.896 -0.296 1
1 103 . 15 1 1 A 18 18 VAL N N 18 117.500 119.522 -2.022 1
1 104 . 15 1 1 A 19 19 ASN H H 19 7.830 8.315 -0.485 1
1 105 . 15 1 1 A 19 19 ASN HA H 19 5.780 5.251 0.529 1
1 110 . 15 1 1 A 19 19 ASN C C 19 175.300 174.405 0.895 1
1 111 . 15 1 1 A 19 19 ASN CA C 19 51.000 52.773 -1.773 1
1 112 . 15 1 1 A 19 19 ASN CB C 19 39.500 40.756 -1.256 1
1 114 . 15 1 1 A 19 19 ASN N N 19 117.700 119.015 -1.315 1
1 116 . 15 1 1 A 20 20 VAL H H 20 9.140 8.060 1.080 1
1 117 . 15 1 1 A 20 20 VAL HA H 20 5.480 4.961 0.519 1
1 125 . 15 1 1 A 20 20 VAL C C 20 174.900 174.737 0.163 1
1 126 . 15 1 1 A 20 20 VAL CA C 20 61.100 60.624 0.476 1
1 127 . 15 1 1 A 20 20 VAL CB C 20 35.000 34.290 0.710 1
1 130 . 15 1 1 A 20 20 VAL N N 20 120.600 123.402 -2.802 1
1 131 . 15 1 1 A 21 21 SER H H 21 9.700 8.660 1.040 1
1 132 . 15 1 1 A 21 21 SER HA H 21 4.930 5.191 -0.261 1
1 135 . 15 1 1 A 21 21 SER C C 21 172.900 173.029 -0.129 1
1 136 . 15 1 1 A 21 21 SER CA C 21 57.300 56.490 0.810 1
1 137 . 15 1 1 A 21 21 SER CB C 21 66.900 67.249 -0.349 1
1 138 . 15 1 1 A 21 21 SER N N 21 125.600 120.056 5.544 1
1 139 . 15 1 1 A 22 22 ASN H H 22 9.800 9.001 0.799 1
1 140 . 15 1 1 A 22 22 ASN HA H 22 5.240 5.264 -0.024 1
1 145 . 15 1 1 A 22 22 ASN C C 22 174.200 174.029 0.171 1
1 146 . 15 1 1 A 22 22 ASN CA C 22 53.500 51.702 1.798 1
1 147 . 15 1 1 A 22 22 ASN CB C 22 43.000 42.401 0.599 1
1 149 . 15 1 1 A 22 22 ASN N N 22 116.100 118.126 -2.026 1
1 151 . 15 1 1 A 23 23 SER H H 23 8.200 8.223 -0.023 1
1 152 . 15 1 1 A 23 23 SER HA H 23 4.370 4.435 -0.065 1
1 155 . 15 1 1 A 23 23 SER CA C 23 59.700 59.151 0.549 1
1 156 . 15 1 1 A 23 23 SER CB C 23 64.500 63.821 0.679 1
1 157 . 15 1 1 A 23 23 SER N N 23 111.800 116.893 -5.093 1
1 158 . 15 1 1 A 24 24 HIS H H 24 9.070 8.880 0.190 1
1 159 . 15 1 1 A 24 24 HIS HA H 24 4.790 4.501 0.289 1
1 164 . 15 1 1 A 24 24 HIS C C 24 175.100 174.488 0.612 1
1 165 . 15 1 1 A 24 24 HIS CA C 24 57.000 57.730 -0.730 1
1 166 . 15 1 1 A 24 24 HIS CB C 24 31.300 28.453 2.847 1
1 169 . 15 1 1 A 24 24 HIS N N 24 121.900 117.635 4.265 1
1 171 . 15 1 1 A 25 25 ASN H H 25 8.420 8.952 -0.532 1
1 172 . 15 1 1 A 25 25 ASN HA H 25 4.710 4.623 0.087 1
1 177 . 15 1 1 A 25 25 ASN C C 25 173.900 174.510 -0.610 1
1 178 . 15 1 1 A 25 25 ASN CA C 25 52.800 55.075 -2.275 1
1 179 . 15 1 1 A 25 25 ASN CB C 25 39.500 37.430 2.070 1
1 181 . 15 1 1 A 25 25 ASN N N 25 119.300 116.325 2.975 1
1 183 . 15 1 1 A 26 26 ASP H H 26 8.130 8.869 -0.739 1
1 184 . 15 1 1 A 26 26 ASP HA H 26 4.660 4.823 -0.163 1
1 187 . 15 1 1 A 26 26 ASP C C 26 176.300 176.109 0.191 1
1 188 . 15 1 1 A 26 26 ASP CA C 26 53.600 53.301 0.299 1
1 189 . 15 1 1 A 26 26 ASP CB C 26 40.900 40.916 -0.016 1
1 190 . 15 1 1 A 26 26 ASP N N 26 115.800 122.810 -7.010 1
1 191 . 15 1 1 A 27 27 ALA H H 27 8.330 7.363 0.967 1
1 192 . 15 1 1 A 27 27 ALA HA H 27 4.210 4.137 0.073 1
1 196 . 15 1 1 A 27 27 ALA C C 27 178.500 176.631 1.869 1
1 197 . 15 1 1 A 27 27 ALA CA C 27 53.100 52.501 0.599 1
1 198 . 15 1 1 A 27 27 ALA CB C 27 19.200 18.783 0.417 1
1 199 . 15 1 1 A 27 27 ALA N N 27 124.500 122.388 2.112 1
1 200 . 15 1 1 A 28 28 VAL H H 28 8.310 8.469 -0.159 1
1 201 . 15 1 1 A 28 28 VAL HA H 28 4.360 4.635 -0.275 1
1 209 . 15 1 1 A 28 28 VAL CA C 28 61.000 60.231 0.769 1
1 210 . 15 1 1 A 28 28 VAL CB C 28 35.000 35.266 -0.266 1
1 213 . 15 1 1 A 28 28 VAL N N 28 124.500 123.329 1.171 1
1 214 . 15 1 1 A 29 29 ALA H H 29 8.460 8.360 0.100 1
1 215 . 15 1 1 A 29 29 ALA HA H 29 4.590 5.359 -0.769 1
1 219 . 15 1 1 A 29 29 ALA C C 29 175.800 175.956 -0.156 1
1 220 . 15 1 1 A 29 29 ALA CA C 29 50.400 49.888 0.512 1
1 221 . 15 1 1 A 29 29 ALA CB C 29 20.100 22.546 -2.446 1
1 222 . 15 1 1 A 30 30 PHE H H 30 8.640 8.903 -0.263 1
1 223 . 15 1 1 A 30 30 PHE HA H 30 4.870 5.026 -0.156 1
1 231 . 15 1 1 A 30 30 PHE C C 30 175.800 175.226 0.574 1
1 232 . 15 1 1 A 30 30 PHE CA C 30 57.300 56.325 0.975 1
1 233 . 15 1 1 A 30 30 PHE CB C 30 41.600 42.519 -0.919 1
1 239 . 15 1 1 A 30 30 PHE N N 30 122.100 117.413 4.687 1
1 240 . 15 1 1 A 31 31 GLU H H 31 8.670 8.779 -0.109 1
1 241 . 15 1 1 A 31 31 GLU HA H 31 3.530 3.843 -0.313 1
1 246 . 15 1 1 A 31 31 GLU C C 31 174.700 175.231 -0.531 1
1 247 . 15 1 1 A 31 31 GLU CA C 31 57.200 57.274 -0.074 1
1 248 . 15 1 1 A 31 31 GLU CB C 31 27.600 28.173 -0.573 1
1 250 . 15 1 1 A 31 31 GLU N N 31 118.900 118.667 0.233 1
1 251 . 15 1 1 A 32 32 VAL H H 32 9.100 8.036 1.064 1
1 252 . 15 1 1 A 32 32 VAL HA H 32 3.770 4.331 -0.561 1
1 260 . 15 1 1 A 32 32 VAL C C 32 175.400 174.923 0.477 1
1 261 . 15 1 1 A 32 32 VAL CA C 32 62.900 61.792 1.108 1
1 262 . 15 1 1 A 32 32 VAL CB C 32 32.200 32.476 -0.276 1
1 265 . 15 1 1 A 32 32 VAL N N 32 122.300 116.123 6.177 1
1 266 . 15 1 1 A 33 33 LYS H H 33 8.330 8.646 -0.316 1
1 267 . 15 1 1 A 33 33 LYS HA H 33 4.980 4.964 0.016 1
1 276 . 15 1 1 A 33 33 LYS C C 33 176.300 175.335 0.965 1
1 277 . 15 1 1 A 33 33 LYS CA C 33 55.700 55.883 -0.183 1
1 278 . 15 1 1 A 33 33 LYS CB C 33 33.500 33.281 0.219 1
1 282 . 15 1 1 A 33 33 LYS N N 33 128.300 126.206 2.094 1
1 283 . 15 1 1 A 34 34 LEU H H 34 9.140 8.354 0.786 1
1 284 . 15 1 1 A 34 34 LEU HA H 34 4.750 5.055 -0.305 1
1 294 . 15 1 1 A 34 34 LEU C C 34 175.000 176.159 -1.159 1
1 295 . 15 1 1 A 34 34 LEU CA C 34 52.900 53.301 -0.401 1
1 296 . 15 1 1 A 34 34 LEU CB C 34 46.700 46.051 0.649 1
1 300 . 15 1 1 A 34 34 LEU N N 34 126.700 128.253 -1.553 1
1 301 . 15 1 1 A 35 35 ALA H H 35 8.650 8.941 -0.291 1
1 302 . 15 1 1 A 35 35 ALA HA H 35 4.100 3.974 0.126 1
1 306 . 15 1 1 A 35 35 ALA C C 35 178.000 178.014 -0.014 1
1 307 . 15 1 1 A 35 35 ALA CA C 35 52.300 52.061 0.239 1
1 308 . 15 1 1 A 35 35 ALA CB C 35 19.100 18.858 0.242 1
1 309 . 15 1 1 A 35 35 ALA N N 35 126.600 127.233 -0.633 1
1 310 . 15 1 1 A 36 36 LYS H H 36 8.230 8.813 -0.583 1
1 311 . 15 1 1 A 36 36 LYS HA H 36 3.710 3.962 -0.252 1
1 320 . 15 1 1 A 36 36 LYS C C 36 176.000 177.877 -1.877 1
1 321 . 15 1 1 A 36 36 LYS CA C 36 59.800 59.161 0.639 1
1 322 . 15 1 1 A 36 36 LYS CB C 36 33.200 31.801 1.399 1
1 326 . 15 1 1 A 36 36 LYS N N 36 119.200 124.038 -4.838 1
1 327 . 15 1 1 A 37 37 ASP H H 37 8.060 7.829 0.231 1
1 328 . 15 1 1 A 37 37 ASP HA H 37 4.470 4.566 -0.096 1
1 331 . 15 1 1 A 37 37 ASP C C 37 176.800 176.604 0.196 1
1 332 . 15 1 1 A 37 37 ASP CA C 37 53.000 55.343 -2.343 1
1 333 . 15 1 1 A 37 37 ASP CB C 37 39.700 40.599 -0.899 1
1 334 . 15 1 1 A 37 37 ASP N N 37 112.700 117.678 -4.978 1
1 335 . 15 1 1 A 38 38 LEU H H 38 7.170 7.090 0.080 1
1 336 . 15 1 1 A 38 38 LEU HA H 38 4.280 4.200 0.080 1
1 346 . 15 1 1 A 38 38 LEU C C 38 177.600 177.137 0.463 1
1 347 . 15 1 1 A 38 38 LEU CA C 38 55.800 55.095 0.705 1
1 348 . 15 1 1 A 38 38 LEU CB C 38 43.900 42.120 1.780 1
1 352 . 15 1 1 A 38 38 LEU N N 38 122.100 121.493 0.607 1
1 353 . 15 1 1 A 39 39 THR H H 39 8.430 8.822 -0.392 1
1 354 . 15 1 1 A 39 39 THR HA H 39 5.010 4.758 0.252 1
1 360 . 15 1 1 A 39 39 THR C C 39 176.500 176.167 0.333 1
1 361 . 15 1 1 A 39 39 THR CA C 39 60.900 60.427 0.473 1
1 362 . 15 1 1 A 39 39 THR CB C 39 71.200 71.421 -0.221 1
1 364 . 15 1 1 A 39 39 THR N N 39 112.800 114.995 -2.195 1
1 365 . 15 1 1 A 40 40 VAL H H 40 8.740 8.398 0.342 1
1 366 . 15 1 1 A 40 40 VAL HA H 40 3.530 3.688 -0.158 1
1 374 . 15 1 1 A 40 40 VAL C C 40 178.200 177.361 0.839 1
1 375 . 15 1 1 A 40 40 VAL CA C 40 67.300 66.765 0.535 1
1 376 . 15 1 1 A 40 40 VAL CB C 40 31.600 31.695 -0.095 1
1 379 . 15 1 1 A 40 40 VAL N N 40 123.600 122.316 1.284 1
1 380 . 15 1 1 A 41 41 ALA H H 41 8.520 8.182 0.338 1
1 381 . 15 1 1 A 41 41 ALA HA H 41 3.950 3.922 0.028 1
1 385 . 15 1 1 A 41 41 ALA C C 41 180.700 180.003 0.697 1
1 386 . 15 1 1 A 41 41 ALA CA C 41 56.100 55.694 0.406 1
1 387 . 15 1 1 A 41 41 ALA CB C 41 18.800 18.247 0.553 1
1 388 . 15 1 1 A 41 41 ALA N N 41 121.400 122.159 -0.759 1
1 389 . 15 1 1 A 42 42 GLN H H 42 7.740 7.649 0.091 1
1 390 . 15 1 1 A 42 42 GLN HA H 42 4.060 4.041 0.019 1
1 397 . 15 1 1 A 42 42 GLN C C 42 180.300 178.714 1.586 1
1 398 . 15 1 1 A 42 42 GLN CA C 42 58.600 58.839 -0.239 1
1 399 . 15 1 1 A 42 42 GLN CB C 42 29.200 28.561 0.639 1
1 402 . 15 1 1 A 42 42 GLN N N 42 117.500 118.345 -0.845 1
1 404 . 15 1 1 A 43 43 LEU H H 43 9.210 7.919 1.291 1
1 405 . 15 1 1 A 43 43 LEU HA H 43 3.940 4.120 -0.180 1
1 415 . 15 1 1 A 43 43 LEU C C 43 178.300 178.700 -0.400 1
1 416 . 15 1 1 A 43 43 LEU CA C 43 57.900 57.716 0.184 1
1 417 . 15 1 1 A 43 43 LEU CB C 43 41.300 41.837 -0.537 1
1 421 . 15 1 1 A 43 43 LEU N N 43 123.000 121.552 1.448 1
1 422 . 15 1 1 A 44 44 LYS H H 44 8.740 7.910 0.830 1
1 423 . 15 1 1 A 44 44 LYS HA H 44 3.860 3.946 -0.086 1
1 432 . 15 1 1 A 44 44 LYS C C 44 178.300 179.070 -0.770 1
1 433 . 15 1 1 A 44 44 LYS CA C 44 61.100 59.366 1.734 1
1 434 . 15 1 1 A 44 44 LYS CB C 44 32.800 32.266 0.534 1
1 438 . 15 1 1 A 44 44 LYS N N 44 119.300 118.982 0.318 1
1 439 . 15 1 1 A 45 45 THR H H 45 7.440 7.779 -0.339 1
1 440 . 15 1 1 A 45 45 THR HA H 45 3.930 3.856 0.074 1
1 445 . 15 1 1 A 45 45 THR C C 45 176.700 176.512 0.188 1
1 446 . 15 1 1 A 45 45 THR CA C 45 67.100 67.168 -0.068 1
1 447 . 15 1 1 A 45 45 THR CB C 45 68.800 68.327 0.473 1
1 449 . 15 1 1 A 45 45 THR N N 45 114.000 118.248 -4.248 1
1 450 . 15 1 1 A 46 46 LYS H H 46 7.500 7.654 -0.154 1
1 451 . 15 1 1 A 46 46 LYS HA H 46 4.100 4.005 0.095 1
1 460 . 15 1 1 A 46 46 LYS C C 46 179.700 179.593 0.107 1
1 461 . 15 1 1 A 46 46 LYS CA C 46 59.400 59.975 -0.575 1
1 462 . 15 1 1 A 46 46 LYS CB C 46 32.100 32.292 -0.192 1
1 466 . 15 1 1 A 46 46 LYS N N 46 121.700 120.174 1.526 1
1 467 . 15 1 1 A 47 47 LEU H H 47 9.010 8.373 0.637 1
1 468 . 15 1 1 A 47 47 LEU HA H 47 4.040 3.946 0.094 1
1 478 . 15 1 1 A 47 47 LEU C C 47 180.000 178.745 1.255 1
1 479 . 15 1 1 A 47 47 LEU CA C 47 57.200 58.044 -0.844 1
1 480 . 15 1 1 A 47 47 LEU CB C 47 40.700 41.370 -0.670 1
1 484 . 15 1 1 A 47 47 LEU N N 47 118.000 119.778 -1.778 1
1 485 . 15 1 1 A 48 48 GLU H H 48 8.450 8.670 -0.220 1
1 486 . 15 1 1 A 48 48 GLU HA H 48 4.050 4.008 0.042 1
1 491 . 15 1 1 A 48 48 GLU C C 48 178.800 179.431 -0.631 1
1 492 . 15 1 1 A 48 48 GLU CA C 48 59.700 59.444 0.256 1
1 493 . 15 1 1 A 48 48 GLU CB C 48 29.400 29.449 -0.049 1
1 495 . 15 1 1 A 48 48 GLU N N 48 126.300 120.205 6.095 1
1 496 . 15 1 1 A 49 49 ILE H H 49 7.180 7.563 -0.383 1
1 497 . 15 1 1 A 49 49 ILE HA H 49 3.780 3.684 0.096 1
1 507 . 15 1 1 A 49 49 ILE C C 49 178.000 178.281 -0.281 1
1 508 . 15 1 1 A 49 49 ILE CA C 49 64.000 65.221 -1.221 1
1 509 . 15 1 1 A 49 49 ILE CB C 49 38.100 37.767 0.333 1
1 513 . 15 1 1 A 49 49 ILE N N 49 119.600 119.860 -0.260 1
1 514 . 15 1 1 A 50 50 LEU H H 50 7.520 7.968 -0.448 1
1 515 . 15 1 1 A 50 50 LEU HA H 50 4.160 3.947 0.213 1
1 525 . 15 1 1 A 50 50 LEU C C 50 178.400 178.563 -0.163 1
1 526 . 15 1 1 A 50 50 LEU CA C 50 57.500 58.102 -0.602 1
1 527 . 15 1 1 A 50 50 LEU CB C 50 44.300 41.722 2.578 1
1 531 . 15 1 1 A 50 50 LEU N N 50 116.800 121.390 -4.590 1
1 532 . 15 1 1 A 51 51 THR H H 51 8.160 8.503 -0.343 1
1 533 . 15 1 1 A 51 51 THR HA H 51 4.490 4.414 0.076 1
1 538 . 15 1 1 A 51 51 THR C C 51 175.600 176.276 -0.676 1
1 539 . 15 1 1 A 51 51 THR CA C 51 62.400 62.333 0.067 1
1 540 . 15 1 1 A 51 51 THR CB C 51 72.900 70.583 2.317 1
1 542 . 15 1 1 A 51 51 THR N N 51 104.100 107.263 -3.163 1
1 543 . 15 1 1 A 52 52 GLY H H 52 8.080 8.511 -0.431 1
1 544 . 15 1 1 A 52 52 GLY HA2 H 52 3.830 3.935 -0.105 1
1 545 . 15 1 1 A 52 52 GLY HA3 H 52 4.250 3.936 0.314 1
1 546 . 15 1 1 A 52 52 GLY C C 52 174.800 174.633 0.167 1
1 547 . 15 1 1 A 52 52 GLY CA C 52 45.500 45.637 -0.137 1
1 548 . 15 1 1 A 52 52 GLY N N 52 112.100 112.207 -0.107 1
1 549 . 15 1 1 A 53 53 GLY H H 53 7.880 8.012 -0.132 1
1 550 . 15 1 1 A 53 53 GLY HA2 H 53 3.220 4.033 -0.813 1
1 551 . 15 1 1 A 53 53 GLY HA3 H 53 4.040 4.033 0.007 1
1 552 . 15 1 1 A 53 53 GLY C C 53 170.900 172.466 -1.566 1
1 553 . 15 1 1 A 53 53 GLY CA C 53 44.300 44.396 -0.096 1
1 554 . 15 1 1 A 53 53 GLY N N 53 107.000 107.389 -0.389 1
1 555 . 15 1 1 A 54 54 CYS H H 54 8.690 8.383 0.307 1
1 556 . 15 1 1 A 54 54 CYS HA H 54 4.430 4.604 -0.174 1
1 559 . 15 1 1 A 54 54 CYS C C 54 176.100 176.121 -0.021 1
1 560 . 15 1 1 A 54 54 CYS CA C 54 57.900 58.542 -0.642 1
1 561 . 15 1 1 A 54 54 CYS CB C 54 27.800 28.981 -1.181 1
1 562 . 15 1 1 A 54 54 CYS N N 54 120.200 118.593 1.607 1
1 563 . 15 1 1 A 55 55 ALA H H 55 10.100 9.052 1.048 1
1 564 . 15 1 1 A 55 55 ALA HA H 55 3.890 3.939 -0.049 1
1 568 . 15 1 1 A 55 55 ALA C C 55 178.900 179.675 -0.775 1
1 569 . 15 1 1 A 55 55 ALA CA C 55 55.700 55.072 0.628 1
1 570 . 15 1 1 A 55 55 ALA CB C 55 18.500 18.405 0.095 1
1 571 . 15 1 1 A 55 55 ALA N N 55 133.900 130.122 3.778 1
1 572 . 15 1 1 A 56 56 GLY H H 56 8.380 7.867 0.513 1
1 573 . 15 1 1 A 56 56 GLY HA2 H 56 3.910 3.732 0.178 1
1 574 . 15 1 1 A 56 56 GLY HA3 H 56 3.910 3.733 0.177 1
1 575 . 15 1 1 A 56 56 GLY C C 56 174.600 175.268 -0.668 1
1 576 . 15 1 1 A 56 56 GLY CA C 56 45.900 47.244 -1.344 1
1 577 . 15 1 1 A 56 56 GLY N N 56 104.300 105.639 -1.339 1
1 578 . 15 1 1 A 57 57 THR H H 57 7.310 7.235 0.075 1
1 579 . 15 1 1 A 57 57 THR HA H 57 4.520 4.415 0.105 1
1 584 . 15 1 1 A 57 57 THR C C 57 175.500 174.388 1.112 1
1 585 . 15 1 1 A 57 57 THR CA C 57 61.400 62.302 -0.902 1
1 586 . 15 1 1 A 57 57 THR CB C 57 69.900 69.151 0.749 1
1 588 . 15 1 1 A 57 57 THR N N 57 107.700 114.419 -6.719 1
1 589 . 15 1 1 A 58 58 MET H H 58 7.910 7.442 0.468 1
1 590 . 15 1 1 A 58 58 MET HA H 58 4.540 4.504 0.036 1
1 598 . 15 1 1 A 58 58 MET C C 58 175.100 175.990 -0.890 1
1 599 . 15 1 1 A 58 58 MET CA C 58 56.900 55.225 1.675 1
1 600 . 15 1 1 A 58 58 MET CB C 58 33.700 33.666 0.034 1
1 603 . 15 1 1 A 58 58 MET N N 58 120.700 122.275 -1.575 1
1 604 . 15 1 1 A 59 59 LYS H H 59 8.780 8.404 0.376 1
1 605 . 15 1 1 A 59 59 LYS HA H 59 4.610 5.168 -0.558 1
1 614 . 15 1 1 A 59 59 LYS C C 59 174.500 174.976 -0.476 1
1 615 . 15 1 1 A 59 59 LYS CA C 59 54.500 54.952 -0.452 1
1 616 . 15 1 1 A 59 59 LYS CB C 59 34.700 36.142 -1.442 1
1 620 . 15 1 1 A 59 59 LYS N N 59 122.400 125.158 -2.758 1
1 621 . 15 1 1 A 60 60 VAL H H 60 8.740 8.656 0.084 1
1 622 . 15 1 1 A 60 60 VAL HA H 60 4.700 4.930 -0.230 1
1 630 . 15 1 1 A 60 60 VAL C C 60 175.000 175.203 -0.203 1
1 631 . 15 1 1 A 60 60 VAL CA C 60 61.300 60.838 0.462 1
1 632 . 15 1 1 A 60 60 VAL CB C 60 33.400 33.849 -0.449 1
1 635 . 15 1 1 A 60 60 VAL N N 60 122.100 123.165 -1.065 1
1 636 . 15 1 1 A 61 61 GLN H H 61 9.250 8.600 0.650 1
1 637 . 15 1 1 A 61 61 GLN HA H 61 4.790 4.891 -0.101 1
1 644 . 15 1 1 A 61 61 GLN C C 61 174.700 174.251 0.449 1
1 645 . 15 1 1 A 61 61 GLN CA C 61 54.200 54.234 -0.034 1
1 646 . 15 1 1 A 61 61 GLN CB C 61 32.800 32.861 -0.061 1
1 649 . 15 1 1 A 61 61 GLN N N 61 126.400 125.416 0.984 1
1 651 . 15 1 1 A 62 62 VAL H H 62 8.690 8.155 0.535 1
1 652 . 15 1 1 A 62 62 VAL HA H 62 4.650 4.708 -0.058 1
1 660 . 15 1 1 A 62 62 VAL C C 62 174.700 174.754 -0.054 1
1 661 . 15 1 1 A 62 62 VAL CA C 62 61.800 61.131 0.669 1
1 662 . 15 1 1 A 62 62 VAL CB C 62 32.500 32.992 -0.492 1
1 665 . 15 1 1 A 62 62 VAL N N 62 121.700 121.725 -0.025 1
1 666 . 15 1 1 A 63 63 PHE H H 63 10.020 8.960 1.060 1
1 667 . 15 1 1 A 63 63 PHE HA H 63 5.170 5.188 -0.018 1
1 675 . 15 1 1 A 63 63 PHE C C 63 175.100 173.967 1.133 1
1 676 . 15 1 1 A 63 63 PHE CA C 63 56.800 55.971 0.829 1
1 677 . 15 1 1 A 63 63 PHE CB C 63 42.900 43.972 -1.072 1
1 683 . 15 1 1 A 63 63 PHE N N 63 127.100 125.269 1.831 1
1 684 . 15 1 1 A 64 64 LYS H H 64 8.710 8.318 0.392 1
1 685 . 15 1 1 A 64 64 LYS HA H 64 4.650 4.762 -0.112 1
1 694 . 15 1 1 A 64 64 LYS C C 64 176.900 176.653 0.247 1
1 695 . 15 1 1 A 64 64 LYS CA C 64 55.100 55.162 -0.062 1
1 696 . 15 1 1 A 64 64 LYS CB C 64 34.100 32.828 1.272 1
1 700 . 15 1 1 A 64 64 LYS N N 64 123.900 118.415 5.485 1
1 701 . 15 1 1 A 65 65 GLY H H 65 9.160 9.010 0.150 1
1 702 . 15 1 1 A 65 65 GLY HA2 H 65 3.680 3.890 -0.210 1
1 703 . 15 1 1 A 65 65 GLY HA3 H 65 4.050 3.896 0.154 1
1 704 . 15 1 1 A 65 65 GLY C C 65 174.600 174.124 0.476 1
1 705 . 15 1 1 A 65 65 GLY CA C 65 47.200 47.213 -0.013 1
1 706 . 15 1 1 A 65 65 GLY N N 65 118.800 112.290 6.510 1
1 707 . 15 1 1 A 66 66 ASP H H 66 8.760 8.818 -0.058 1
1 708 . 15 1 1 A 66 66 ASP HA H 66 4.700 4.860 -0.160 1
1 711 . 15 1 1 A 66 66 ASP C C 66 176.000 175.469 0.531 1
1 712 . 15 1 1 A 66 66 ASP CA C 66 54.300 53.088 1.212 1
1 713 . 15 1 1 A 66 66 ASP CB C 66 41.300 41.701 -0.401 1
1 714 . 15 1 1 A 66 66 ASP N N 66 126.400 125.925 0.475 1
1 715 . 15 1 1 A 67 67 THR H H 67 8.020 7.574 0.446 1
1 716 . 15 1 1 A 67 67 THR HA H 67 4.300 4.956 -0.656 1
1 721 . 15 1 1 A 67 67 THR C C 67 172.100 173.383 -1.283 1
1 722 . 15 1 1 A 67 67 THR CA C 67 62.400 61.355 1.045 1
1 723 . 15 1 1 A 67 67 THR CB C 67 70.700 71.208 -0.508 1
1 725 . 15 1 1 A 67 67 THR N N 67 117.500 113.919 3.581 1
1 726 . 15 1 1 A 68 68 CYS H H 68 8.940 8.924 0.016 1
1 727 . 15 1 1 A 68 68 CYS HA H 68 3.400 4.357 -0.957 1
1 730 . 15 1 1 A 68 68 CYS C C 68 174.900 174.394 0.506 1
1 731 . 15 1 1 A 68 68 CYS CA C 68 58.700 59.083 -0.383 1
1 732 . 15 1 1 A 68 68 CYS CB C 68 25.600 28.120 -2.520 1
1 733 . 15 1 1 A 68 68 CYS N N 68 129.500 125.068 4.432 1
1 734 . 15 1 1 A 69 69 VAL H H 69 9.090 8.545 0.545 1
1 735 . 15 1 1 A 69 69 VAL HA H 69 4.150 3.984 0.166 1
1 743 . 15 1 1 A 69 69 VAL C C 69 176.300 176.018 0.282 1
1 744 . 15 1 1 A 69 69 VAL CA C 69 62.900 63.347 -0.447 1
1 745 . 15 1 1 A 69 69 VAL CB C 69 32.800 32.224 0.576 1
1 748 . 15 1 1 A 69 69 VAL N N 69 127.500 127.279 0.221 1
1 749 . 15 1 1 A 70 70 SER H H 70 7.640 7.550 0.090 1
1 750 . 15 1 1 A 70 70 SER HA H 70 4.550 4.653 -0.103 1
1 753 . 15 1 1 A 70 70 SER C C 70 172.300 171.605 0.695 1
1 754 . 15 1 1 A 70 70 SER CA C 70 58.700 57.526 1.174 1
1 755 . 15 1 1 A 70 70 SER CB C 70 65.100 65.185 -0.085 1
1 756 . 15 1 1 A 70 70 SER N N 70 113.400 110.887 2.513 1
1 757 . 15 1 1 A 71 71 THR H H 71 8.220 8.549 -0.329 1
1 758 . 15 1 1 A 71 71 THR HA H 71 4.580 4.615 -0.035 1
1 763 . 15 1 1 A 71 71 THR C C 71 174.000 174.261 -0.261 1
1 764 . 15 1 1 A 71 71 THR CA C 71 61.800 61.134 0.666 1
1 765 . 15 1 1 A 71 71 THR CB C 71 70.500 70.568 -0.068 1
1 767 . 15 1 1 A 71 71 THR N N 71 114.500 115.709 -1.209 1
1 768 . 15 1 1 A 72 72 MET H H 72 8.260 8.809 -0.549 1
1 769 . 15 1 1 A 72 72 MET HA H 72 2.990 4.050 -1.060 1
1 777 . 15 1 1 A 72 72 MET C C 72 175.700 175.835 -0.135 1
1 778 . 15 1 1 A 72 72 MET CA C 72 55.100 54.041 1.059 1
1 779 . 15 1 1 A 72 72 MET CB C 72 30.200 30.633 -0.433 1
1 782 . 15 1 1 A 72 72 MET N N 72 121.800 125.664 -3.864 1
1 783 . 15 1 1 A 73 73 ASP H H 73 7.830 8.926 -1.096 1
1 784 . 15 1 1 A 73 73 ASP HA H 73 4.370 4.677 -0.307 1
1 787 . 15 1 1 A 73 73 ASP C C 73 175.100 175.769 -0.669 1
1 788 . 15 1 1 A 73 73 ASP CA C 73 55.800 55.252 0.548 1
1 789 . 15 1 1 A 73 73 ASP CB C 73 41.800 41.963 -0.163 1
1 790 . 15 1 1 A 73 73 ASP N N 73 125.100 125.218 -0.118 1
1 791 . 15 1 1 A 74 74 ASN H H 74 7.480 7.435 0.045 1
1 792 . 15 1 1 A 74 74 ASN HA H 74 4.890 4.913 -0.023 1
1 797 . 15 1 1 A 74 74 ASN C C 74 175.800 175.313 0.487 1
1 798 . 15 1 1 A 74 74 ASN CA C 74 51.600 52.704 -1.104 1
1 799 . 15 1 1 A 74 74 ASN CB C 74 38.800 37.816 0.984 1
1 801 . 15 1 1 A 74 74 ASN N N 74 116.400 117.299 -0.899 1
1 803 . 15 1 1 A 75 75 ASN H H 75 8.870 8.914 -0.044 1
1 804 . 15 1 1 A 75 75 ASN HA H 75 4.390 4.447 -0.057 1
1 809 . 15 1 1 A 75 75 ASN C C 75 175.700 176.876 -1.176 1
1 810 . 15 1 1 A 75 75 ASN CA C 75 55.600 55.960 -0.360 1
1 811 . 15 1 1 A 75 75 ASN CB C 75 39.200 38.170 1.030 1
1 813 . 15 1 1 A 75 75 ASN N N 75 123.600 123.934 -0.334 1
1 815 . 15 1 1 A 76 76 ASP H H 76 8.060 7.900 0.160 1
1 816 . 15 1 1 A 76 76 ASP HA H 76 4.750 4.587 0.163 1
1 819 . 15 1 1 A 76 76 ASP C C 76 176.200 176.174 0.026 1
1 820 . 15 1 1 A 76 76 ASP CA C 76 54.200 55.260 -1.060 1
1 821 . 15 1 1 A 76 76 ASP CB C 76 41.700 40.697 1.003 1
1 822 . 15 1 1 A 76 76 ASP N N 76 115.100 117.298 -2.198 1
1 823 . 15 1 1 A 77 77 ALA H H 77 7.140 7.363 -0.223 1
1 824 . 15 1 1 A 77 77 ALA HA H 77 4.160 4.117 0.043 1
1 828 . 15 1 1 A 77 77 ALA C C 77 176.100 177.163 -1.063 1
1 829 . 15 1 1 A 77 77 ALA CA C 77 51.400 51.605 -0.205 1
1 830 . 15 1 1 A 77 77 ALA CB C 77 20.100 20.182 -0.082 1
1 831 . 15 1 1 A 77 77 ALA N N 77 122.600 122.774 -0.174 1
1 832 . 15 1 1 A 78 78 GLN H H 78 8.090 8.983 -0.893 1
1 833 . 15 1 1 A 78 78 GLN HA H 78 4.750 4.464 0.286 1
1 840 . 15 1 1 A 78 78 GLN C C 78 177.900 177.677 0.223 1
1 841 . 15 1 1 A 78 78 GLN CA C 78 55.200 55.219 -0.019 1
1 842 . 15 1 1 A 78 78 GLN CB C 78 29.500 29.576 -0.076 1
1 845 . 15 1 1 A 78 78 GLN N N 78 116.500 120.345 -3.845 1
1 847 . 15 1 1 A 79 79 LEU H H 79 9.380 9.374 0.006 1
1 848 . 15 1 1 A 79 79 LEU HA H 79 4.060 4.204 -0.144 1
1 858 . 15 1 1 A 79 79 LEU C C 79 179.200 179.111 0.089 1
1 859 . 15 1 1 A 79 79 LEU CA C 79 58.900 58.007 0.893 1
1 860 . 15 1 1 A 79 79 LEU CB C 79 42.000 41.474 0.526 1
1 864 . 15 1 1 A 79 79 LEU N N 79 123.800 126.103 -2.303 1
1 865 . 15 1 1 A 80 80 GLY H H 80 9.130 7.894 1.236 1
1 866 . 15 1 1 A 80 80 GLY HA2 H 80 3.750 3.922 -0.172 1
1 867 . 15 1 1 A 80 80 GLY HA3 H 80 4.160 3.947 0.213 1
1 868 . 15 1 1 A 80 80 GLY C C 80 174.100 175.160 -1.060 1
1 869 . 15 1 1 A 80 80 GLY CA C 80 45.600 46.236 -0.636 1
1 870 . 15 1 1 A 80 80 GLY N N 80 104.000 106.208 -2.208 1
1 871 . 15 1 1 A 81 81 TYR H H 81 7.900 7.993 -0.093 1
1 872 . 15 1 1 A 81 81 TYR HA H 81 4.000 3.925 0.075 1
1 879 . 15 1 1 A 81 81 TYR C C 81 176.300 176.700 -0.400 1
1 880 . 15 1 1 A 81 81 TYR CA C 81 60.600 60.743 -0.143 1
1 881 . 15 1 1 A 81 81 TYR CB C 81 38.700 38.144 0.556 1
1 886 . 15 1 1 A 81 81 TYR N N 81 120.300 122.493 -2.193 1
1 887 . 15 1 1 A 82 82 TYR H H 82 7.430 7.761 -0.331 1
1 888 . 15 1 1 A 82 82 TYR HA H 82 4.340 4.641 -0.301 1
1 895 . 15 1 1 A 82 82 TYR C C 82 175.500 176.654 -1.154 1
1 896 . 15 1 1 A 82 82 TYR CA C 82 58.700 58.994 -0.294 1
1 897 . 15 1 1 A 82 82 TYR CB C 82 41.500 40.365 1.135 1
1 902 . 15 1 1 A 82 82 TYR N N 82 114.000 114.673 -0.673 1
1 903 . 15 1 1 A 83 83 ALA H H 83 8.430 7.442 0.988 1
1 904 . 15 1 1 A 83 83 ALA HA H 83 4.380 4.555 -0.175 1
1 908 . 15 1 1 A 83 83 ALA C C 83 173.400 177.289 -3.889 1
1 909 . 15 1 1 A 83 83 ALA CA C 83 51.000 50.920 0.080 1
1 910 . 15 1 1 A 83 83 ALA CB C 83 19.500 18.144 1.356 1
1 911 . 15 1 1 A 83 83 ALA N N 83 122.900 121.023 1.877 1
1 912 . 15 1 1 A 84 84 ASN H H 84 8.050 8.874 -0.824 1
1 913 . 15 1 1 A 84 84 ASN HA H 84 4.760 4.871 -0.111 1
1 918 . 15 1 1 A 84 84 ASN C C 84 174.600 174.716 -0.116 1
1 919 . 15 1 1 A 84 84 ASN CA C 84 52.200 52.513 -0.313 1
1 920 . 15 1 1 A 84 84 ASN CB C 84 39.300 39.313 -0.013 1
1 922 . 15 1 1 A 84 84 ASN N N 84 117.300 121.085 -3.785 1
1 924 . 15 1 1 A 85 85 SER H H 85 7.180 7.710 -0.530 1
1 925 . 15 1 1 A 85 85 SER HA H 85 4.670 5.046 -0.376 1
1 928 . 15 1 1 A 85 85 SER C C 85 172.000 173.257 -1.257 1
1 929 . 15 1 1 A 85 85 SER CA C 85 56.900 57.489 -0.589 1
1 930 . 15 1 1 A 85 85 SER CB C 85 66.000 66.337 -0.337 1
1 931 . 15 1 1 A 85 85 SER N N 85 112.200 114.547 -2.347 1
1 932 . 15 1 1 A 86 86 ASP H H 86 8.320 8.767 -0.447 1
1 933 . 15 1 1 A 86 86 ASP HA H 86 4.920 4.865 0.055 1
1 936 . 15 1 1 A 86 86 ASP C C 86 178.100 176.560 1.540 1
1 937 . 15 1 1 A 86 86 ASP CA C 86 55.000 53.470 1.530 1
1 938 . 15 1 1 A 86 86 ASP CB C 86 42.000 41.950 0.050 1
1 939 . 15 1 1 A 86 86 ASP N N 86 119.100 123.763 -4.663 1
1 940 . 15 1 1 A 87 87 GLY H H 87 8.910 8.566 0.344 1
1 941 . 15 1 1 A 87 87 GLY HA2 H 87 3.850 3.992 -0.142 1
1 942 . 15 1 1 A 87 87 GLY HA3 H 87 4.110 4.001 0.109 1
1 943 . 15 1 1 A 87 87 GLY C C 87 175.400 174.212 1.188 1
1 944 . 15 1 1 A 87 87 GLY CA C 87 46.100 45.243 0.857 1
1 945 . 15 1 1 A 87 87 GLY N N 87 107.900 110.338 -2.438 1
1 946 . 15 1 1 A 88 88 LEU H H 88 8.290 7.794 0.496 1
1 947 . 15 1 1 A 88 88 LEU HA H 88 4.740 4.504 0.236 1
1 957 . 15 1 1 A 88 88 LEU C C 88 175.000 175.988 -0.988 1
1 958 . 15 1 1 A 88 88 LEU CA C 88 54.500 54.752 -0.252 1
1 959 . 15 1 1 A 88 88 LEU CB C 88 43.200 42.630 0.570 1
1 963 . 15 1 1 A 88 88 LEU N N 88 120.300 123.065 -2.765 1
1 964 . 15 1 1 A 89 89 ARG H H 89 8.880 8.478 0.402 1
1 965 . 15 1 1 A 89 89 ARG HA H 89 5.300 5.155 0.145 1
1 973 . 15 1 1 A 89 89 ARG C C 89 174.900 174.403 0.497 1
1 974 . 15 1 1 A 89 89 ARG CA C 89 53.600 54.565 -0.965 1
1 975 . 15 1 1 A 89 89 ARG CB C 89 34.300 33.615 0.685 1
1 979 . 15 1 1 A 89 89 ARG N N 89 121.200 122.508 -1.308 1
1 981 . 15 1 1 A 90 90 LEU H H 90 9.250 9.189 0.061 1
1 982 . 15 1 1 A 90 90 LEU HA H 90 5.270 5.203 0.067 1
1 992 . 15 1 1 A 90 90 LEU C C 90 173.700 175.115 -1.415 1
1 993 . 15 1 1 A 90 90 LEU CA C 90 52.900 53.726 -0.826 1
1 994 . 15 1 1 A 90 90 LEU CB C 90 42.000 44.054 -2.054 1
1 998 . 15 1 1 A 90 90 LEU N N 90 125.500 128.828 -3.328 1
1 999 . 15 1 1 A 91 91 HIS H H 91 9.600 8.592 1.008 1
1 1000 . 15 1 1 A 91 91 HIS HA H 91 5.280 5.420 -0.140 1
1 1005 . 15 1 1 A 91 91 HIS C C 91 174.300 173.216 1.084 1
1 1006 . 15 1 1 A 91 91 HIS CA C 91 54.500 53.928 0.572 1
1 1007 . 15 1 1 A 91 91 HIS CB C 91 35.200 32.794 2.406 1
1 1010 . 15 1 1 A 91 91 HIS N N 91 124.800 124.698 0.102 1
1 1013 . 15 1 1 A 92 92 VAL H H 92 8.300 8.762 -0.462 1
1 1014 . 15 1 1 A 92 92 VAL HA H 92 4.110 4.558 -0.448 1
1 1022 . 15 1 1 A 92 92 VAL C C 92 174.200 174.354 -0.154 1
1 1023 . 15 1 1 A 92 92 VAL CA C 92 62.900 61.153 1.747 1
1 1024 . 15 1 1 A 92 92 VAL CB C 92 32.600 33.178 -0.578 1
1 1027 . 15 1 1 A 92 92 VAL N N 92 128.400 126.214 2.186 1
1 1028 . 15 1 1 A 93 93 VAL H H 93 8.950 8.628 0.322 1
1 1029 . 15 1 1 A 93 93 VAL HA H 93 4.170 4.652 -0.482 1
1 1037 . 15 1 1 A 93 93 VAL C C 93 175.600 173.839 1.761 1
1 1038 . 15 1 1 A 93 93 VAL CA C 93 61.100 61.208 -0.108 1
1 1039 . 15 1 1 A 93 93 VAL CB C 93 33.300 32.840 0.460 1
1 1042 . 15 1 1 A 93 93 VAL N N 93 127.800 128.170 -0.370 1
1 1043 . 15 1 1 A 94 94 ASP H H 94 8.280 8.864 -0.584 1
1 1044 . 15 1 1 A 94 94 ASP HA H 94 4.850 5.371 -0.521 1
1 1047 . 15 1 1 A 94 94 ASP C C 94 174.700 174.704 -0.004 1
1 1048 . 15 1 1 A 94 94 ASP CA C 94 53.800 52.918 0.882 1
1 1049 . 15 1 1 A 94 94 ASP CB C 94 42.500 42.730 -0.230 1
1 1050 . 15 1 1 A 94 94 ASP N N 94 127.100 129.825 -2.725 1
1 1 . 16 1 1 A 11 11 GLY C C 11 174.100 173.349 0.751 1
1 2 . 16 1 1 A 11 11 GLY CA C 11 45.300 45.138 0.162 1
1 3 . 16 1 1 A 12 12 LYS H H 12 8.180 8.289 -0.109 1
1 4 . 16 1 1 A 12 12 LYS HA H 12 4.320 4.501 -0.181 1
1 13 . 16 1 1 A 12 12 LYS C C 12 176.700 175.362 1.338 1
1 14 . 16 1 1 A 12 12 LYS CA C 12 56.400 56.164 0.236 1
1 15 . 16 1 1 A 12 12 LYS CB C 12 33.200 32.883 0.317 1
1 19 . 16 1 1 A 12 12 LYS N N 12 120.600 121.120 -0.520 1
1 20 . 16 1 1 A 13 13 SER H H 13 8.360 8.649 -0.289 1
1 21 . 16 1 1 A 13 13 SER HA H 13 4.450 5.117 -0.667 1
1 24 . 16 1 1 A 13 13 SER C C 13 173.800 173.289 0.511 1
1 25 . 16 1 1 A 13 13 SER CA C 13 58.000 56.491 1.509 1
1 26 . 16 1 1 A 13 13 SER CB C 13 63.900 64.763 -0.863 1
1 27 . 16 1 1 A 13 13 SER N N 13 116.300 118.576 -2.276 1
1 28 . 16 1 1 A 14 14 ASP H H 14 8.450 8.499 -0.049 1
1 29 . 16 1 1 A 14 14 ASP HA H 14 4.670 4.768 -0.098 1
1 32 . 16 1 1 A 14 14 ASP C C 14 175.100 174.019 1.081 1
1 33 . 16 1 1 A 14 14 ASP CA C 14 54.400 53.102 1.298 1
1 34 . 16 1 1 A 14 14 ASP CB C 14 41.500 41.112 0.388 1
1 35 . 16 1 1 A 14 14 ASP N N 14 122.400 126.476 -4.076 1
1 36 . 16 1 1 A 15 15 PHE H H 15 8.110 7.397 0.713 1
1 37 . 16 1 1 A 15 15 PHE HA H 15 5.290 5.226 0.064 1
1 45 . 16 1 1 A 15 15 PHE C C 15 175.000 175.087 -0.087 1
1 46 . 16 1 1 A 15 15 PHE CA C 15 56.600 56.440 0.160 1
1 47 . 16 1 1 A 15 15 PHE CB C 15 42.600 43.306 -0.706 1
1 53 . 16 1 1 A 15 15 PHE N N 15 118.500 118.470 0.030 1
1 54 . 16 1 1 A 16 16 ILE H H 16 9.160 8.643 0.517 1
1 55 . 16 1 1 A 16 16 ILE HA H 16 4.710 5.036 -0.326 1
1 65 . 16 1 1 A 16 16 ILE C C 16 173.400 174.035 -0.635 1
1 66 . 16 1 1 A 16 16 ILE CA C 16 59.300 59.046 0.254 1
1 67 . 16 1 1 A 16 16 ILE CB C 16 42.100 41.876 0.224 1
1 71 . 16 1 1 A 16 16 ILE N N 16 116.700 117.189 -0.489 1
1 72 . 16 1 1 A 17 17 LYS H H 17 8.530 8.907 -0.377 1
1 73 . 16 1 1 A 17 17 LYS HA H 17 5.220 5.011 0.209 1
1 82 . 16 1 1 A 17 17 LYS C C 17 176.400 176.117 0.283 1
1 83 . 16 1 1 A 17 17 LYS CA C 17 54.900 55.581 -0.681 1
1 84 . 16 1 1 A 17 17 LYS CB C 17 34.100 33.892 0.208 1
1 88 . 16 1 1 A 17 17 LYS N N 17 123.200 124.226 -1.026 1
1 89 . 16 1 1 A 18 18 VAL H H 18 8.900 8.934 -0.034 1
1 90 . 16 1 1 A 18 18 VAL HA H 18 4.990 4.982 0.008 1
1 98 . 16 1 1 A 18 18 VAL C C 18 174.300 174.161 0.139 1
1 99 . 16 1 1 A 18 18 VAL CA C 18 58.600 58.687 -0.087 1
1 100 . 16 1 1 A 18 18 VAL CB C 18 35.600 36.143 -0.543 1
1 103 . 16 1 1 A 18 18 VAL N N 18 117.500 120.132 -2.632 1
1 104 . 16 1 1 A 19 19 ASN H H 19 7.830 8.445 -0.615 1
1 105 . 16 1 1 A 19 19 ASN HA H 19 5.780 5.614 0.166 1
1 110 . 16 1 1 A 19 19 ASN C C 19 175.300 174.278 1.022 1
1 111 . 16 1 1 A 19 19 ASN CA C 19 51.000 51.809 -0.809 1
1 112 . 16 1 1 A 19 19 ASN CB C 19 39.500 41.222 -1.722 1
1 114 . 16 1 1 A 19 19 ASN N N 19 117.700 119.455 -1.755 1
1 116 . 16 1 1 A 20 20 VAL H H 20 9.140 8.167 0.973 1
1 117 . 16 1 1 A 20 20 VAL HA H 20 5.480 5.009 0.471 1
1 125 . 16 1 1 A 20 20 VAL C C 20 174.900 174.630 0.270 1
1 126 . 16 1 1 A 20 20 VAL CA C 20 61.100 60.576 0.524 1
1 127 . 16 1 1 A 20 20 VAL CB C 20 35.000 34.257 0.743 1
1 130 . 16 1 1 A 20 20 VAL N N 20 120.600 122.664 -2.064 1
1 131 . 16 1 1 A 21 21 SER H H 21 9.700 8.774 0.926 1
1 132 . 16 1 1 A 21 21 SER HA H 21 4.930 5.172 -0.242 1
1 135 . 16 1 1 A 21 21 SER C C 21 172.900 172.724 0.176 1
1 136 . 16 1 1 A 21 21 SER CA C 21 57.300 56.692 0.608 1
1 137 . 16 1 1 A 21 21 SER CB C 21 66.900 67.211 -0.311 1
1 138 . 16 1 1 A 21 21 SER N N 21 125.600 120.012 5.588 1
1 139 . 16 1 1 A 22 22 ASN H H 22 9.800 8.765 1.035 1
1 140 . 16 1 1 A 22 22 ASN HA H 22 5.240 5.191 0.049 1
1 145 . 16 1 1 A 22 22 ASN C C 22 174.200 174.919 -0.719 1
1 146 . 16 1 1 A 22 22 ASN CA C 22 53.500 51.640 1.860 1
1 147 . 16 1 1 A 22 22 ASN CB C 22 43.000 42.653 0.347 1
1 149 . 16 1 1 A 22 22 ASN N N 22 116.100 118.759 -2.659 1
1 151 . 16 1 1 A 23 23 SER H H 23 8.200 8.531 -0.331 1
1 152 . 16 1 1 A 23 23 SER HA H 23 4.370 4.366 0.004 1
1 155 . 16 1 1 A 23 23 SER CA C 23 59.700 61.476 -1.776 1
1 156 . 16 1 1 A 23 23 SER CB C 23 64.500 63.342 1.158 1
1 157 . 16 1 1 A 23 23 SER N N 23 111.800 117.081 -5.281 1
1 158 . 16 1 1 A 24 24 HIS H H 24 9.070 8.172 0.898 1
1 159 . 16 1 1 A 24 24 HIS HA H 24 4.790 4.323 0.467 1
1 164 . 16 1 1 A 24 24 HIS C C 24 175.100 176.133 -1.033 1
1 165 . 16 1 1 A 24 24 HIS CA C 24 57.000 59.198 -2.198 1
1 166 . 16 1 1 A 24 24 HIS CB C 24 31.300 30.086 1.214 1
1 169 . 16 1 1 A 24 24 HIS N N 24 121.900 118.606 3.294 1
1 171 . 16 1 1 A 25 25 ASN H H 25 8.420 8.000 0.420 1
1 172 . 16 1 1 A 25 25 ASN HA H 25 4.710 4.743 -0.033 1
1 177 . 16 1 1 A 25 25 ASN C C 25 173.900 175.000 -1.100 1
1 178 . 16 1 1 A 25 25 ASN CA C 25 52.800 53.563 -0.763 1
1 179 . 16 1 1 A 25 25 ASN CB C 25 39.500 39.538 -0.038 1
1 181 . 16 1 1 A 25 25 ASN N N 25 119.300 115.991 3.309 1
1 183 . 16 1 1 A 26 26 ASP H H 26 8.130 8.891 -0.761 1
1 184 . 16 1 1 A 26 26 ASP HA H 26 4.660 4.861 -0.201 1
1 187 . 16 1 1 A 26 26 ASP C C 26 176.300 175.867 0.433 1
1 188 . 16 1 1 A 26 26 ASP CA C 26 53.600 53.053 0.547 1
1 189 . 16 1 1 A 26 26 ASP CB C 26 40.900 41.296 -0.396 1
1 190 . 16 1 1 A 26 26 ASP N N 26 115.800 122.539 -6.739 1
1 191 . 16 1 1 A 27 27 ALA H H 27 8.330 7.341 0.989 1
1 192 . 16 1 1 A 27 27 ALA HA H 27 4.210 4.379 -0.169 1
1 196 . 16 1 1 A 27 27 ALA C C 27 178.500 176.471 2.029 1
1 197 . 16 1 1 A 27 27 ALA CA C 27 53.100 51.596 1.504 1
1 198 . 16 1 1 A 27 27 ALA CB C 27 19.200 19.636 -0.436 1
1 199 . 16 1 1 A 27 27 ALA N N 27 124.500 123.025 1.475 1
1 200 . 16 1 1 A 28 28 VAL H H 28 8.310 8.548 -0.238 1
1 201 . 16 1 1 A 28 28 VAL HA H 28 4.360 4.653 -0.293 1
1 209 . 16 1 1 A 28 28 VAL CA C 28 61.000 60.244 0.756 1
1 210 . 16 1 1 A 28 28 VAL CB C 28 35.000 34.503 0.497 1
1 213 . 16 1 1 A 28 28 VAL N N 28 124.500 123.525 0.975 1
1 214 . 16 1 1 A 29 29 ALA H H 29 8.460 8.372 0.088 1
1 215 . 16 1 1 A 29 29 ALA HA H 29 4.590 5.191 -0.601 1
1 219 . 16 1 1 A 29 29 ALA C C 29 175.800 175.457 0.343 1
1 220 . 16 1 1 A 29 29 ALA CA C 29 50.400 49.949 0.451 1
1 221 . 16 1 1 A 29 29 ALA CB C 29 20.100 21.491 -1.391 1
1 222 . 16 1 1 A 30 30 PHE H H 30 8.640 8.851 -0.211 1
1 223 . 16 1 1 A 30 30 PHE HA H 30 4.870 4.828 0.042 1
1 231 . 16 1 1 A 30 30 PHE C C 30 175.800 175.531 0.269 1
1 232 . 16 1 1 A 30 30 PHE CA C 30 57.300 57.105 0.195 1
1 233 . 16 1 1 A 30 30 PHE CB C 30 41.600 40.953 0.647 1
1 239 . 16 1 1 A 30 30 PHE N N 30 122.100 121.481 0.619 1
1 240 . 16 1 1 A 31 31 GLU H H 31 8.670 8.555 0.115 1
1 241 . 16 1 1 A 31 31 GLU HA H 31 3.530 3.823 -0.293 1
1 246 . 16 1 1 A 31 31 GLU C C 31 174.700 174.983 -0.283 1
1 247 . 16 1 1 A 31 31 GLU CA C 31 57.200 57.332 -0.132 1
1 248 . 16 1 1 A 31 31 GLU CB C 31 27.600 28.170 -0.570 1
1 250 . 16 1 1 A 31 31 GLU N N 31 118.900 118.765 0.135 1
1 251 . 16 1 1 A 32 32 VAL H H 32 9.100 7.611 1.489 1
1 252 . 16 1 1 A 32 32 VAL HA H 32 3.770 4.548 -0.778 1
1 260 . 16 1 1 A 32 32 VAL C C 32 175.400 175.093 0.307 1
1 261 . 16 1 1 A 32 32 VAL CA C 32 62.900 60.986 1.914 1
1 262 . 16 1 1 A 32 32 VAL CB C 32 32.200 33.086 -0.886 1
1 265 . 16 1 1 A 32 32 VAL N N 32 122.300 118.141 4.159 1
1 266 . 16 1 1 A 33 33 LYS H H 33 8.330 8.532 -0.202 1
1 267 . 16 1 1 A 33 33 LYS HA H 33 4.980 4.696 0.284 1
1 276 . 16 1 1 A 33 33 LYS C C 33 176.300 175.636 0.664 1
1 277 . 16 1 1 A 33 33 LYS CA C 33 55.700 56.233 -0.533 1
1 278 . 16 1 1 A 33 33 LYS CB C 33 33.500 32.942 0.558 1
1 282 . 16 1 1 A 33 33 LYS N N 33 128.300 127.660 0.640 1
1 283 . 16 1 1 A 34 34 LEU H H 34 9.140 8.783 0.357 1
1 284 . 16 1 1 A 34 34 LEU HA H 34 4.750 4.930 -0.180 1
1 294 . 16 1 1 A 34 34 LEU C C 34 175.000 176.247 -1.247 1
1 295 . 16 1 1 A 34 34 LEU CA C 34 52.900 53.674 -0.774 1
1 296 . 16 1 1 A 34 34 LEU CB C 34 46.700 45.882 0.818 1
1 300 . 16 1 1 A 34 34 LEU N N 34 126.700 124.994 1.706 1
1 301 . 16 1 1 A 35 35 ALA H H 35 8.650 8.921 -0.271 1
1 302 . 16 1 1 A 35 35 ALA HA H 35 4.100 4.824 -0.724 1
1 306 . 16 1 1 A 35 35 ALA C C 35 178.000 179.020 -1.020 1
1 307 . 16 1 1 A 35 35 ALA CA C 35 52.300 52.913 -0.613 1
1 308 . 16 1 1 A 35 35 ALA CB C 35 19.100 19.135 -0.035 1
1 309 . 16 1 1 A 35 35 ALA N N 35 126.600 127.774 -1.174 1
1 310 . 16 1 1 A 36 36 LYS H H 36 8.230 8.364 -0.134 1
1 311 . 16 1 1 A 36 36 LYS HA H 36 3.710 4.095 -0.385 1
1 320 . 16 1 1 A 36 36 LYS C C 36 176.000 177.038 -1.038 1
1 321 . 16 1 1 A 36 36 LYS CA C 36 59.800 58.445 1.355 1
1 322 . 16 1 1 A 36 36 LYS CB C 36 33.200 32.051 1.149 1
1 326 . 16 1 1 A 36 36 LYS N N 36 119.200 122.280 -3.080 1
1 327 . 16 1 1 A 37 37 ASP H H 37 8.060 8.040 0.020 1
1 328 . 16 1 1 A 37 37 ASP HA H 37 4.470 4.678 -0.208 1
1 331 . 16 1 1 A 37 37 ASP C C 37 176.800 176.566 0.234 1
1 332 . 16 1 1 A 37 37 ASP CA C 37 53.000 54.721 -1.721 1
1 333 . 16 1 1 A 37 37 ASP CB C 37 39.700 41.205 -1.505 1
1 334 . 16 1 1 A 37 37 ASP N N 37 112.700 118.495 -5.795 1
1 335 . 16 1 1 A 38 38 LEU H H 38 7.170 7.041 0.129 1
1 336 . 16 1 1 A 38 38 LEU HA H 38 4.280 4.244 0.036 1
1 346 . 16 1 1 A 38 38 LEU C C 38 177.600 177.329 0.271 1
1 347 . 16 1 1 A 38 38 LEU CA C 38 55.800 54.905 0.895 1
1 348 . 16 1 1 A 38 38 LEU CB C 38 43.900 42.872 1.028 1
1 352 . 16 1 1 A 38 38 LEU N N 38 122.100 121.436 0.664 1
1 353 . 16 1 1 A 39 39 THR H H 39 8.430 8.681 -0.251 1
1 354 . 16 1 1 A 39 39 THR HA H 39 5.010 4.798 0.212 1
1 360 . 16 1 1 A 39 39 THR C C 39 176.500 176.188 0.312 1
1 361 . 16 1 1 A 39 39 THR CA C 39 60.900 60.425 0.475 1
1 362 . 16 1 1 A 39 39 THR CB C 39 71.200 71.262 -0.062 1
1 364 . 16 1 1 A 39 39 THR N N 39 112.800 115.025 -2.225 1
1 365 . 16 1 1 A 40 40 VAL H H 40 8.740 8.385 0.355 1
1 366 . 16 1 1 A 40 40 VAL HA H 40 3.530 3.709 -0.179 1
1 374 . 16 1 1 A 40 40 VAL C C 40 178.200 177.390 0.810 1
1 375 . 16 1 1 A 40 40 VAL CA C 40 67.300 66.657 0.643 1
1 376 . 16 1 1 A 40 40 VAL CB C 40 31.600 31.645 -0.045 1
1 379 . 16 1 1 A 40 40 VAL N N 40 123.600 122.354 1.246 1
1 380 . 16 1 1 A 41 41 ALA H H 41 8.520 8.185 0.335 1
1 381 . 16 1 1 A 41 41 ALA HA H 41 3.950 3.899 0.051 1
1 385 . 16 1 1 A 41 41 ALA C C 41 180.700 179.929 0.771 1
1 386 . 16 1 1 A 41 41 ALA CA C 41 56.100 55.572 0.528 1
1 387 . 16 1 1 A 41 41 ALA CB C 41 18.800 18.209 0.591 1
1 388 . 16 1 1 A 41 41 ALA N N 41 121.400 122.259 -0.859 1
1 389 . 16 1 1 A 42 42 GLN H H 42 7.740 7.752 -0.012 1
1 390 . 16 1 1 A 42 42 GLN HA H 42 4.060 4.053 0.007 1
1 397 . 16 1 1 A 42 42 GLN C C 42 180.300 178.663 1.637 1
1 398 . 16 1 1 A 42 42 GLN CA C 42 58.600 58.841 -0.241 1
1 399 . 16 1 1 A 42 42 GLN CB C 42 29.200 28.610 0.590 1
1 402 . 16 1 1 A 42 42 GLN N N 42 117.500 118.163 -0.663 1
1 404 . 16 1 1 A 43 43 LEU H H 43 9.210 7.920 1.290 1
1 405 . 16 1 1 A 43 43 LEU HA H 43 3.940 4.125 -0.185 1
1 415 . 16 1 1 A 43 43 LEU C C 43 178.300 178.763 -0.463 1
1 416 . 16 1 1 A 43 43 LEU CA C 43 57.900 57.744 0.156 1
1 417 . 16 1 1 A 43 43 LEU CB C 43 41.300 41.696 -0.396 1
1 421 . 16 1 1 A 43 43 LEU N N 43 123.000 121.480 1.520 1
1 422 . 16 1 1 A 44 44 LYS H H 44 8.740 7.964 0.776 1
1 423 . 16 1 1 A 44 44 LYS HA H 44 3.860 3.950 -0.090 1
1 432 . 16 1 1 A 44 44 LYS C C 44 178.300 179.201 -0.901 1
1 433 . 16 1 1 A 44 44 LYS CA C 44 61.100 59.327 1.773 1
1 434 . 16 1 1 A 44 44 LYS CB C 44 32.800 32.217 0.583 1
1 438 . 16 1 1 A 44 44 LYS N N 44 119.300 118.803 0.497 1
1 439 . 16 1 1 A 45 45 THR H H 45 7.440 7.746 -0.306 1
1 440 . 16 1 1 A 45 45 THR HA H 45 3.930 3.847 0.083 1
1 445 . 16 1 1 A 45 45 THR C C 45 176.700 176.496 0.204 1
1 446 . 16 1 1 A 45 45 THR CA C 45 67.100 67.182 -0.082 1
1 447 . 16 1 1 A 45 45 THR CB C 45 68.800 68.366 0.434 1
1 449 . 16 1 1 A 45 45 THR N N 45 114.000 118.216 -4.216 1
1 450 . 16 1 1 A 46 46 LYS H H 46 7.500 7.746 -0.246 1
1 451 . 16 1 1 A 46 46 LYS HA H 46 4.100 3.998 0.102 1
1 460 . 16 1 1 A 46 46 LYS C C 46 179.700 179.569 0.131 1
1 461 . 16 1 1 A 46 46 LYS CA C 46 59.400 59.927 -0.527 1
1 462 . 16 1 1 A 46 46 LYS CB C 46 32.100 32.355 -0.255 1
1 466 . 16 1 1 A 46 46 LYS N N 46 121.700 120.360 1.340 1
1 467 . 16 1 1 A 47 47 LEU H H 47 9.010 8.573 0.437 1
1 468 . 16 1 1 A 47 47 LEU HA H 47 4.040 3.940 0.100 1
1 478 . 16 1 1 A 47 47 LEU C C 47 180.000 178.779 1.221 1
1 479 . 16 1 1 A 47 47 LEU CA C 47 57.200 58.064 -0.864 1
1 480 . 16 1 1 A 47 47 LEU CB C 47 40.700 41.193 -0.493 1
1 484 . 16 1 1 A 47 47 LEU N N 47 118.000 119.816 -1.816 1
1 485 . 16 1 1 A 48 48 GLU H H 48 8.450 8.620 -0.170 1
1 486 . 16 1 1 A 48 48 GLU HA H 48 4.050 3.983 0.067 1
1 491 . 16 1 1 A 48 48 GLU C C 48 178.800 179.397 -0.597 1
1 492 . 16 1 1 A 48 48 GLU CA C 48 59.700 59.455 0.245 1
1 493 . 16 1 1 A 48 48 GLU CB C 48 29.400 29.496 -0.096 1
1 495 . 16 1 1 A 48 48 GLU N N 48 126.300 120.186 6.114 1
1 496 . 16 1 1 A 49 49 ILE H H 49 7.180 7.568 -0.388 1
1 497 . 16 1 1 A 49 49 ILE HA H 49 3.780 3.656 0.124 1
1 507 . 16 1 1 A 49 49 ILE C C 49 178.000 178.694 -0.694 1
1 508 . 16 1 1 A 49 49 ILE CA C 49 64.000 65.743 -1.743 1
1 509 . 16 1 1 A 49 49 ILE CB C 49 38.100 37.736 0.364 1
1 513 . 16 1 1 A 49 49 ILE N N 49 119.600 119.901 -0.301 1
1 514 . 16 1 1 A 50 50 LEU H H 50 7.520 7.963 -0.443 1
1 515 . 16 1 1 A 50 50 LEU HA H 50 4.160 3.967 0.193 1
1 525 . 16 1 1 A 50 50 LEU C C 50 178.400 179.363 -0.963 1
1 526 . 16 1 1 A 50 50 LEU CA C 50 57.500 57.915 -0.415 1
1 527 . 16 1 1 A 50 50 LEU CB C 50 44.300 41.895 2.405 1
1 531 . 16 1 1 A 50 50 LEU N N 50 116.800 117.879 -1.079 1
1 532 . 16 1 1 A 51 51 THR H H 51 8.160 8.552 -0.392 1
1 533 . 16 1 1 A 51 51 THR HA H 51 4.490 4.378 0.112 1
1 538 . 16 1 1 A 51 51 THR C C 51 175.600 176.205 -0.605 1
1 539 . 16 1 1 A 51 51 THR CA C 51 62.400 62.562 -0.162 1
1 540 . 16 1 1 A 51 51 THR CB C 51 72.900 70.397 2.503 1
1 542 . 16 1 1 A 51 51 THR N N 51 104.100 107.198 -3.098 1
1 543 . 16 1 1 A 52 52 GLY H H 52 8.080 8.776 -0.696 1
1 544 . 16 1 1 A 52 52 GLY HA2 H 52 3.830 3.939 -0.109 1
1 545 . 16 1 1 A 52 52 GLY HA3 H 52 4.250 3.941 0.309 1
1 546 . 16 1 1 A 52 52 GLY C C 52 174.800 174.609 0.191 1
1 547 . 16 1 1 A 52 52 GLY CA C 52 45.500 45.680 -0.180 1
1 548 . 16 1 1 A 52 52 GLY N N 52 112.100 111.695 0.405 1
1 549 . 16 1 1 A 53 53 GLY H H 53 7.880 7.955 -0.075 1
1 550 . 16 1 1 A 53 53 GLY HA2 H 53 3.220 4.009 -0.789 1
1 551 . 16 1 1 A 53 53 GLY HA3 H 53 4.040 4.016 0.024 1
1 552 . 16 1 1 A 53 53 GLY C C 53 170.900 172.711 -1.811 1
1 553 . 16 1 1 A 53 53 GLY CA C 53 44.300 44.209 0.091 1
1 554 . 16 1 1 A 53 53 GLY N N 53 107.000 107.873 -0.873 1
1 555 . 16 1 1 A 54 54 CYS H H 54 8.690 8.462 0.228 1
1 556 . 16 1 1 A 54 54 CYS HA H 54 4.430 5.258 -0.828 1
1 559 . 16 1 1 A 54 54 CYS C C 54 176.100 175.309 0.791 1
1 560 . 16 1 1 A 54 54 CYS CA C 54 57.900 57.691 0.209 1
1 561 . 16 1 1 A 54 54 CYS CB C 54 27.800 29.990 -2.190 1
1 562 . 16 1 1 A 54 54 CYS N N 54 120.200 121.588 -1.388 1
1 563 . 16 1 1 A 55 55 ALA H H 55 10.100 9.058 1.042 1
1 564 . 16 1 1 A 55 55 ALA HA H 55 3.890 3.961 -0.071 1
1 568 . 16 1 1 A 55 55 ALA C C 55 178.900 179.561 -0.661 1
1 569 . 16 1 1 A 55 55 ALA CA C 55 55.700 55.151 0.549 1
1 570 . 16 1 1 A 55 55 ALA CB C 55 18.500 18.366 0.134 1
1 571 . 16 1 1 A 55 55 ALA N N 55 133.900 130.173 3.727 1
1 572 . 16 1 1 A 56 56 GLY H H 56 8.380 7.830 0.550 1
1 573 . 16 1 1 A 56 56 GLY HA2 H 56 3.910 3.688 0.222 1
1 574 . 16 1 1 A 56 56 GLY HA3 H 56 3.910 3.690 0.220 1
1 575 . 16 1 1 A 56 56 GLY C C 56 174.600 175.378 -0.778 1
1 576 . 16 1 1 A 56 56 GLY CA C 56 45.900 47.414 -1.514 1
1 577 . 16 1 1 A 56 56 GLY N N 56 104.300 105.716 -1.416 1
1 578 . 16 1 1 A 57 57 THR H H 57 7.310 7.461 -0.151 1
1 579 . 16 1 1 A 57 57 THR HA H 57 4.520 4.394 0.126 1
1 584 . 16 1 1 A 57 57 THR C C 57 175.500 174.256 1.244 1
1 585 . 16 1 1 A 57 57 THR CA C 57 61.400 62.362 -0.962 1
1 586 . 16 1 1 A 57 57 THR CB C 57 69.900 69.129 0.771 1
1 588 . 16 1 1 A 57 57 THR N N 57 107.700 115.265 -7.565 1
1 589 . 16 1 1 A 58 58 MET H H 58 7.910 7.526 0.384 1
1 590 . 16 1 1 A 58 58 MET HA H 58 4.540 4.801 -0.261 1
1 598 . 16 1 1 A 58 58 MET C C 58 175.100 175.581 -0.481 1
1 599 . 16 1 1 A 58 58 MET CA C 58 56.900 54.006 2.894 1
1 600 . 16 1 1 A 58 58 MET CB C 58 33.700 33.368 0.332 1
1 603 . 16 1 1 A 58 58 MET N N 58 120.700 120.995 -0.295 1
1 604 . 16 1 1 A 59 59 LYS H H 59 8.780 8.390 0.390 1
1 605 . 16 1 1 A 59 59 LYS HA H 59 4.610 5.034 -0.424 1
1 614 . 16 1 1 A 59 59 LYS C C 59 174.500 174.763 -0.263 1
1 615 . 16 1 1 A 59 59 LYS CA C 59 54.500 54.691 -0.191 1
1 616 . 16 1 1 A 59 59 LYS CB C 59 34.700 35.462 -0.762 1
1 620 . 16 1 1 A 59 59 LYS N N 59 122.400 122.975 -0.575 1
1 621 . 16 1 1 A 60 60 VAL H H 60 8.740 9.028 -0.288 1
1 622 . 16 1 1 A 60 60 VAL HA H 60 4.700 4.677 0.023 1
1 630 . 16 1 1 A 60 60 VAL C C 60 175.000 175.341 -0.341 1
1 631 . 16 1 1 A 60 60 VAL CA C 60 61.300 61.236 0.064 1
1 632 . 16 1 1 A 60 60 VAL CB C 60 33.400 33.056 0.344 1
1 635 . 16 1 1 A 60 60 VAL N N 60 122.100 127.511 -5.411 1
1 636 . 16 1 1 A 61 61 GLN H H 61 9.250 8.753 0.497 1
1 637 . 16 1 1 A 61 61 GLN HA H 61 4.790 4.932 -0.142 1
1 644 . 16 1 1 A 61 61 GLN C C 61 174.700 174.659 0.041 1
1 645 . 16 1 1 A 61 61 GLN CA C 61 54.200 53.932 0.268 1
1 646 . 16 1 1 A 61 61 GLN CB C 61 32.800 32.685 0.115 1
1 649 . 16 1 1 A 61 61 GLN N N 61 126.400 125.835 0.565 1
1 651 . 16 1 1 A 62 62 VAL H H 62 8.690 8.235 0.455 1
1 652 . 16 1 1 A 62 62 VAL HA H 62 4.650 4.624 0.026 1
1 660 . 16 1 1 A 62 62 VAL C C 62 174.700 175.044 -0.344 1
1 661 . 16 1 1 A 62 62 VAL CA C 62 61.800 61.478 0.322 1
1 662 . 16 1 1 A 62 62 VAL CB C 62 32.500 32.126 0.374 1
1 665 . 16 1 1 A 62 62 VAL N N 62 121.700 122.778 -1.078 1
1 666 . 16 1 1 A 63 63 PHE H H 63 10.020 9.080 0.940 1
1 667 . 16 1 1 A 63 63 PHE HA H 63 5.170 5.212 -0.042 1
1 675 . 16 1 1 A 63 63 PHE C C 63 175.100 174.554 0.546 1
1 676 . 16 1 1 A 63 63 PHE CA C 63 56.800 55.857 0.943 1
1 677 . 16 1 1 A 63 63 PHE CB C 63 42.900 43.578 -0.678 1
1 683 . 16 1 1 A 63 63 PHE N N 63 127.100 126.151 0.949 1
1 684 . 16 1 1 A 64 64 LYS H H 64 8.710 8.579 0.131 1
1 685 . 16 1 1 A 64 64 LYS HA H 64 4.650 4.636 0.014 1
1 694 . 16 1 1 A 64 64 LYS C C 64 176.900 176.702 0.198 1
1 695 . 16 1 1 A 64 64 LYS CA C 64 55.100 55.047 0.053 1
1 696 . 16 1 1 A 64 64 LYS CB C 64 34.100 33.549 0.551 1
1 700 . 16 1 1 A 64 64 LYS N N 64 123.900 123.338 0.562 1
1 701 . 16 1 1 A 65 65 GLY H H 65 9.160 9.011 0.149 1
1 702 . 16 1 1 A 65 65 GLY HA2 H 65 3.680 3.886 -0.206 1
1 703 . 16 1 1 A 65 65 GLY HA3 H 65 4.050 3.893 0.157 1
1 704 . 16 1 1 A 65 65 GLY C C 65 174.600 174.496 0.104 1
1 705 . 16 1 1 A 65 65 GLY CA C 65 47.200 47.268 -0.068 1
1 706 . 16 1 1 A 65 65 GLY N N 65 118.800 115.423 3.377 1
1 707 . 16 1 1 A 66 66 ASP H H 66 8.760 8.722 0.038 1
1 708 . 16 1 1 A 66 66 ASP HA H 66 4.700 4.699 0.001 1
1 711 . 16 1 1 A 66 66 ASP C C 66 176.000 175.254 0.746 1
1 712 . 16 1 1 A 66 66 ASP CA C 66 54.300 53.472 0.828 1
1 713 . 16 1 1 A 66 66 ASP CB C 66 41.300 40.428 0.872 1
1 714 . 16 1 1 A 66 66 ASP N N 66 126.400 126.051 0.349 1
1 715 . 16 1 1 A 67 67 THR H H 67 8.020 7.322 0.698 1
1 716 . 16 1 1 A 67 67 THR HA H 67 4.300 4.958 -0.658 1
1 721 . 16 1 1 A 67 67 THR C C 67 172.100 173.512 -1.412 1
1 722 . 16 1 1 A 67 67 THR CA C 67 62.400 61.343 1.057 1
1 723 . 16 1 1 A 67 67 THR CB C 67 70.700 71.271 -0.571 1
1 725 . 16 1 1 A 67 67 THR N N 67 117.500 114.487 3.013 1
1 726 . 16 1 1 A 68 68 CYS H H 68 8.940 8.782 0.158 1
1 727 . 16 1 1 A 68 68 CYS HA H 68 3.400 4.535 -1.135 1
1 730 . 16 1 1 A 68 68 CYS C C 68 174.900 175.233 -0.333 1
1 731 . 16 1 1 A 68 68 CYS CA C 68 58.700 58.305 0.395 1
1 732 . 16 1 1 A 68 68 CYS CB C 68 25.600 27.845 -2.245 1
1 733 . 16 1 1 A 68 68 CYS N N 68 129.500 124.932 4.568 1
1 734 . 16 1 1 A 69 69 VAL H H 69 9.090 8.681 0.409 1
1 735 . 16 1 1 A 69 69 VAL HA H 69 4.150 3.846 0.304 1
1 743 . 16 1 1 A 69 69 VAL C C 69 176.300 175.339 0.961 1
1 744 . 16 1 1 A 69 69 VAL CA C 69 62.900 64.449 -1.549 1
1 745 . 16 1 1 A 69 69 VAL CB C 69 32.800 31.997 0.803 1
1 748 . 16 1 1 A 69 69 VAL N N 69 127.500 125.863 1.637 1
1 749 . 16 1 1 A 70 70 SER H H 70 7.640 7.482 0.158 1
1 750 . 16 1 1 A 70 70 SER HA H 70 4.550 4.660 -0.110 1
1 753 . 16 1 1 A 70 70 SER C C 70 172.300 171.633 0.667 1
1 754 . 16 1 1 A 70 70 SER CA C 70 58.700 57.737 0.963 1
1 755 . 16 1 1 A 70 70 SER CB C 70 65.100 66.442 -1.342 1
1 756 . 16 1 1 A 70 70 SER N N 70 113.400 112.692 0.708 1
1 757 . 16 1 1 A 71 71 THR H H 71 8.220 8.404 -0.184 1
1 758 . 16 1 1 A 71 71 THR HA H 71 4.580 4.679 -0.099 1
1 763 . 16 1 1 A 71 71 THR C C 71 174.000 174.168 -0.168 1
1 764 . 16 1 1 A 71 71 THR CA C 71 61.800 60.799 1.001 1
1 765 . 16 1 1 A 71 71 THR CB C 71 70.500 70.604 -0.104 1
1 767 . 16 1 1 A 71 71 THR N N 71 114.500 115.281 -0.781 1
1 768 . 16 1 1 A 72 72 MET H H 72 8.260 8.701 -0.441 1
1 769 . 16 1 1 A 72 72 MET HA H 72 2.990 4.256 -1.266 1
1 777 . 16 1 1 A 72 72 MET C C 72 175.700 175.684 0.016 1
1 778 . 16 1 1 A 72 72 MET CA C 72 55.100 54.736 0.364 1
1 779 . 16 1 1 A 72 72 MET CB C 72 30.200 32.258 -2.058 1
1 782 . 16 1 1 A 72 72 MET N N 72 121.800 124.899 -3.099 1
1 783 . 16 1 1 A 73 73 ASP H H 73 7.830 8.901 -1.071 1
1 784 . 16 1 1 A 73 73 ASP HA H 73 4.370 4.838 -0.468 1
1 787 . 16 1 1 A 73 73 ASP C C 73 175.100 175.735 -0.635 1
1 788 . 16 1 1 A 73 73 ASP CA C 73 55.800 54.832 0.968 1
1 789 . 16 1 1 A 73 73 ASP CB C 73 41.800 44.140 -2.340 1
1 790 . 16 1 1 A 73 73 ASP N N 73 125.100 124.504 0.596 1
1 791 . 16 1 1 A 74 74 ASN H H 74 7.480 7.832 -0.352 1
1 792 . 16 1 1 A 74 74 ASN HA H 74 4.890 4.737 0.153 1
1 797 . 16 1 1 A 74 74 ASN C C 74 175.800 175.207 0.593 1
1 798 . 16 1 1 A 74 74 ASN CA C 74 51.600 52.584 -0.984 1
1 799 . 16 1 1 A 74 74 ASN CB C 74 38.800 39.197 -0.397 1
1 801 . 16 1 1 A 74 74 ASN N N 74 116.400 117.908 -1.508 1
1 803 . 16 1 1 A 75 75 ASN H H 75 8.870 8.989 -0.119 1
1 804 . 16 1 1 A 75 75 ASN HA H 75 4.390 4.327 0.063 1
1 809 . 16 1 1 A 75 75 ASN C C 75 175.700 176.972 -1.272 1
1 810 . 16 1 1 A 75 75 ASN CA C 75 55.600 56.786 -1.186 1
1 811 . 16 1 1 A 75 75 ASN CB C 75 39.200 38.209 0.991 1
1 813 . 16 1 1 A 75 75 ASN N N 75 123.600 125.851 -2.251 1
1 815 . 16 1 1 A 76 76 ASP H H 76 8.060 7.998 0.062 1
1 816 . 16 1 1 A 76 76 ASP HA H 76 4.750 4.510 0.240 1
1 819 . 16 1 1 A 76 76 ASP C C 76 176.200 176.304 -0.104 1
1 820 . 16 1 1 A 76 76 ASP CA C 76 54.200 55.671 -1.471 1
1 821 . 16 1 1 A 76 76 ASP CB C 76 41.700 40.279 1.421 1
1 822 . 16 1 1 A 76 76 ASP N N 76 115.100 117.394 -2.294 1
1 823 . 16 1 1 A 77 77 ALA H H 77 7.140 7.436 -0.296 1
1 824 . 16 1 1 A 77 77 ALA HA H 77 4.160 4.287 -0.127 1
1 828 . 16 1 1 A 77 77 ALA C C 77 176.100 177.272 -1.172 1
1 829 . 16 1 1 A 77 77 ALA CA C 77 51.400 51.255 0.145 1
1 830 . 16 1 1 A 77 77 ALA CB C 77 20.100 20.520 -0.420 1
1 831 . 16 1 1 A 77 77 ALA N N 77 122.600 121.990 0.610 1
1 832 . 16 1 1 A 78 78 GLN H H 78 8.090 9.021 -0.931 1
1 833 . 16 1 1 A 78 78 GLN HA H 78 4.750 4.526 0.224 1
1 840 . 16 1 1 A 78 78 GLN C C 78 177.900 177.726 0.174 1
1 841 . 16 1 1 A 78 78 GLN CA C 78 55.200 55.155 0.045 1
1 842 . 16 1 1 A 78 78 GLN CB C 78 29.500 29.660 -0.160 1
1 845 . 16 1 1 A 78 78 GLN N N 78 116.500 120.465 -3.965 1
1 847 . 16 1 1 A 79 79 LEU H H 79 9.380 9.136 0.244 1
1 848 . 16 1 1 A 79 79 LEU HA H 79 4.060 4.196 -0.136 1
1 858 . 16 1 1 A 79 79 LEU C C 79 179.200 179.044 0.156 1
1 859 . 16 1 1 A 79 79 LEU CA C 79 58.900 58.044 0.856 1
1 860 . 16 1 1 A 79 79 LEU CB C 79 42.000 41.555 0.445 1
1 864 . 16 1 1 A 79 79 LEU N N 79 123.800 126.130 -2.330 1
1 865 . 16 1 1 A 80 80 GLY H H 80 9.130 7.999 1.131 1
1 866 . 16 1 1 A 80 80 GLY HA2 H 80 3.750 3.945 -0.195 1
1 867 . 16 1 1 A 80 80 GLY HA3 H 80 4.160 3.965 0.195 1
1 868 . 16 1 1 A 80 80 GLY C C 80 174.100 175.174 -1.074 1
1 869 . 16 1 1 A 80 80 GLY CA C 80 45.600 46.261 -0.661 1
1 870 . 16 1 1 A 80 80 GLY N N 80 104.000 106.212 -2.212 1
1 871 . 16 1 1 A 81 81 TYR H H 81 7.900 8.108 -0.208 1
1 872 . 16 1 1 A 81 81 TYR HA H 81 4.000 3.918 0.082 1
1 879 . 16 1 1 A 81 81 TYR C C 81 176.300 176.707 -0.407 1
1 880 . 16 1 1 A 81 81 TYR CA C 81 60.600 60.728 -0.128 1
1 881 . 16 1 1 A 81 81 TYR CB C 81 38.700 38.190 0.510 1
1 886 . 16 1 1 A 81 81 TYR N N 81 120.300 122.519 -2.219 1
1 887 . 16 1 1 A 82 82 TYR H H 82 7.430 7.823 -0.393 1
1 888 . 16 1 1 A 82 82 TYR HA H 82 4.340 4.663 -0.323 1
1 895 . 16 1 1 A 82 82 TYR C C 82 175.500 176.498 -0.998 1
1 896 . 16 1 1 A 82 82 TYR CA C 82 58.700 58.999 -0.299 1
1 897 . 16 1 1 A 82 82 TYR CB C 82 41.500 40.356 1.144 1
1 902 . 16 1 1 A 82 82 TYR N N 82 114.000 114.703 -0.703 1
1 903 . 16 1 1 A 83 83 ALA H H 83 8.430 7.544 0.886 1
1 904 . 16 1 1 A 83 83 ALA HA H 83 4.380 4.575 -0.195 1
1 908 . 16 1 1 A 83 83 ALA C C 83 173.400 177.568 -4.168 1
1 909 . 16 1 1 A 83 83 ALA CA C 83 51.000 50.884 0.116 1
1 910 . 16 1 1 A 83 83 ALA CB C 83 19.500 18.115 1.385 1
1 911 . 16 1 1 A 83 83 ALA N N 83 122.900 121.212 1.688 1
1 912 . 16 1 1 A 84 84 ASN H H 84 8.050 8.428 -0.378 1
1 913 . 16 1 1 A 84 84 ASN HA H 84 4.760 4.810 -0.050 1
1 918 . 16 1 1 A 84 84 ASN C C 84 174.600 174.491 0.109 1
1 919 . 16 1 1 A 84 84 ASN CA C 84 52.200 52.544 -0.344 1
1 920 . 16 1 1 A 84 84 ASN CB C 84 39.300 38.391 0.909 1
1 922 . 16 1 1 A 84 84 ASN N N 84 117.300 118.327 -1.027 1
1 924 . 16 1 1 A 85 85 SER H H 85 7.180 7.555 -0.375 1
1 925 . 16 1 1 A 85 85 SER HA H 85 4.670 4.824 -0.154 1
1 928 . 16 1 1 A 85 85 SER C C 85 172.000 172.280 -0.280 1
1 929 . 16 1 1 A 85 85 SER CA C 85 56.900 56.373 0.527 1
1 930 . 16 1 1 A 85 85 SER CB C 85 66.000 66.019 -0.019 1
1 931 . 16 1 1 A 85 85 SER N N 85 112.200 113.006 -0.806 1
1 932 . 16 1 1 A 86 86 ASP H H 86 8.320 8.769 -0.449 1
1 933 . 16 1 1 A 86 86 ASP HA H 86 4.920 4.811 0.109 1
1 936 . 16 1 1 A 86 86 ASP C C 86 178.100 176.718 1.382 1
1 937 . 16 1 1 A 86 86 ASP CA C 86 55.000 53.650 1.350 1
1 938 . 16 1 1 A 86 86 ASP CB C 86 42.000 41.877 0.123 1
1 939 . 16 1 1 A 86 86 ASP N N 86 119.100 124.528 -5.428 1
1 940 . 16 1 1 A 87 87 GLY H H 87 8.910 8.675 0.235 1
1 941 . 16 1 1 A 87 87 GLY HA2 H 87 3.850 3.984 -0.134 1
1 942 . 16 1 1 A 87 87 GLY HA3 H 87 4.110 3.990 0.120 1
1 943 . 16 1 1 A 87 87 GLY C C 87 175.400 174.232 1.168 1
1 944 . 16 1 1 A 87 87 GLY CA C 87 46.100 45.210 0.890 1
1 945 . 16 1 1 A 87 87 GLY N N 87 107.900 110.404 -2.504 1
1 946 . 16 1 1 A 88 88 LEU H H 88 8.290 7.833 0.457 1
1 947 . 16 1 1 A 88 88 LEU HA H 88 4.740 4.486 0.254 1
1 957 . 16 1 1 A 88 88 LEU C C 88 175.000 175.995 -0.995 1
1 958 . 16 1 1 A 88 88 LEU CA C 88 54.500 54.678 -0.178 1
1 959 . 16 1 1 A 88 88 LEU CB C 88 43.200 42.629 0.571 1
1 963 . 16 1 1 A 88 88 LEU N N 88 120.300 123.017 -2.717 1
1 964 . 16 1 1 A 89 89 ARG H H 89 8.880 8.518 0.362 1
1 965 . 16 1 1 A 89 89 ARG HA H 89 5.300 5.110 0.190 1
1 973 . 16 1 1 A 89 89 ARG C C 89 174.900 174.509 0.391 1
1 974 . 16 1 1 A 89 89 ARG CA C 89 53.600 54.661 -1.061 1
1 975 . 16 1 1 A 89 89 ARG CB C 89 34.300 33.848 0.452 1
1 979 . 16 1 1 A 89 89 ARG N N 89 121.200 122.732 -1.532 1
1 981 . 16 1 1 A 90 90 LEU H H 90 9.250 9.467 -0.217 1
1 982 . 16 1 1 A 90 90 LEU HA H 90 5.270 5.147 0.123 1
1 992 . 16 1 1 A 90 90 LEU C C 90 173.700 174.986 -1.286 1
1 993 . 16 1 1 A 90 90 LEU CA C 90 52.900 53.389 -0.489 1
1 994 . 16 1 1 A 90 90 LEU CB C 90 42.000 43.352 -1.352 1
1 998 . 16 1 1 A 90 90 LEU N N 90 125.500 127.726 -2.226 1
1 999 . 16 1 1 A 91 91 HIS H H 91 9.600 8.851 0.749 1
1 1000 . 16 1 1 A 91 91 HIS HA H 91 5.280 5.524 -0.244 1
1 1005 . 16 1 1 A 91 91 HIS C C 91 174.300 173.460 0.840 1
1 1006 . 16 1 1 A 91 91 HIS CA C 91 54.500 53.230 1.270 1
1 1007 . 16 1 1 A 91 91 HIS CB C 91 35.200 32.315 2.885 1
1 1010 . 16 1 1 A 91 91 HIS N N 91 124.800 124.899 -0.099 1
1 1013 . 16 1 1 A 92 92 VAL H H 92 8.300 8.950 -0.650 1
1 1014 . 16 1 1 A 92 92 VAL HA H 92 4.110 4.225 -0.115 1
1 1022 . 16 1 1 A 92 92 VAL C C 92 174.200 175.173 -0.973 1
1 1023 . 16 1 1 A 92 92 VAL CA C 92 62.900 62.403 0.497 1
1 1024 . 16 1 1 A 92 92 VAL CB C 92 32.600 31.822 0.778 1
1 1027 . 16 1 1 A 92 92 VAL N N 92 128.400 128.134 0.266 1
1 1028 . 16 1 1 A 93 93 VAL H H 93 8.950 9.589 -0.639 1
1 1029 . 16 1 1 A 93 93 VAL HA H 93 4.170 4.354 -0.184 1
1 1037 . 16 1 1 A 93 93 VAL C C 93 175.600 173.583 2.017 1
1 1038 . 16 1 1 A 93 93 VAL CA C 93 61.100 61.195 -0.095 1
1 1039 . 16 1 1 A 93 93 VAL CB C 93 33.300 32.831 0.469 1
1 1042 . 16 1 1 A 93 93 VAL N N 93 127.800 128.444 -0.644 1
1 1043 . 16 1 1 A 94 94 ASP H H 94 8.280 8.747 -0.467 1
1 1044 . 16 1 1 A 94 94 ASP HA H 94 4.850 4.899 -0.049 1
1 1047 . 16 1 1 A 94 94 ASP C C 94 174.700 174.647 0.053 1
1 1048 . 16 1 1 A 94 94 ASP CA C 94 53.800 52.870 0.930 1
1 1049 . 16 1 1 A 94 94 ASP CB C 94 42.500 41.998 0.502 1
1 1050 . 16 1 1 A 94 94 ASP N N 94 127.100 129.271 -2.171 1
1 1 . 17 1 1 A 11 11 GLY C C 11 174.100 173.942 0.158 1
1 2 . 17 1 1 A 11 11 GLY CA C 11 45.300 46.815 -1.515 1
1 3 . 17 1 1 A 12 12 LYS H H 12 8.180 8.295 -0.115 1
1 4 . 17 1 1 A 12 12 LYS HA H 12 4.320 4.313 0.007 1
1 13 . 17 1 1 A 12 12 LYS C C 12 176.700 176.916 -0.216 1
1 14 . 17 1 1 A 12 12 LYS CA C 12 56.400 55.861 0.539 1
1 15 . 17 1 1 A 12 12 LYS CB C 12 33.200 33.152 0.048 1
1 19 . 17 1 1 A 12 12 LYS N N 12 120.600 125.141 -4.541 1
1 20 . 17 1 1 A 13 13 SER H H 13 8.360 8.604 -0.244 1
1 21 . 17 1 1 A 13 13 SER HA H 13 4.450 4.237 0.213 1
1 24 . 17 1 1 A 13 13 SER C C 13 173.800 173.442 0.358 1
1 25 . 17 1 1 A 13 13 SER CA C 13 58.000 59.204 -1.204 1
1 26 . 17 1 1 A 13 13 SER CB C 13 63.900 62.166 1.734 1
1 27 . 17 1 1 A 13 13 SER N N 13 116.300 114.076 2.224 1
1 28 . 17 1 1 A 14 14 ASP H H 14 8.450 8.755 -0.305 1
1 29 . 17 1 1 A 14 14 ASP HA H 14 4.670 4.717 -0.047 1
1 32 . 17 1 1 A 14 14 ASP C C 14 175.100 174.272 0.828 1
1 33 . 17 1 1 A 14 14 ASP CA C 14 54.400 53.376 1.024 1
1 34 . 17 1 1 A 14 14 ASP CB C 14 41.500 39.292 2.208 1
1 35 . 17 1 1 A 14 14 ASP N N 14 122.400 124.997 -2.597 1
1 36 . 17 1 1 A 15 15 PHE H H 15 8.110 8.303 -0.193 1
1 37 . 17 1 1 A 15 15 PHE HA H 15 5.290 5.017 0.273 1
1 45 . 17 1 1 A 15 15 PHE C C 15 175.000 174.778 0.222 1
1 46 . 17 1 1 A 15 15 PHE CA C 15 56.600 56.465 0.135 1
1 47 . 17 1 1 A 15 15 PHE CB C 15 42.600 43.694 -1.094 1
1 53 . 17 1 1 A 15 15 PHE N N 15 118.500 119.666 -1.166 1
1 54 . 17 1 1 A 16 16 ILE H H 16 9.160 8.311 0.849 1
1 55 . 17 1 1 A 16 16 ILE HA H 16 4.710 4.982 -0.272 1
1 65 . 17 1 1 A 16 16 ILE C C 16 173.400 174.192 -0.792 1
1 66 . 17 1 1 A 16 16 ILE CA C 16 59.300 59.207 0.093 1
1 67 . 17 1 1 A 16 16 ILE CB C 16 42.100 42.418 -0.318 1
1 71 . 17 1 1 A 16 16 ILE N N 16 116.700 116.774 -0.074 1
1 72 . 17 1 1 A 17 17 LYS H H 17 8.530 8.546 -0.016 1
1 73 . 17 1 1 A 17 17 LYS HA H 17 5.220 5.042 0.178 1
1 82 . 17 1 1 A 17 17 LYS C C 17 176.400 175.843 0.557 1
1 83 . 17 1 1 A 17 17 LYS CA C 17 54.900 55.269 -0.369 1
1 84 . 17 1 1 A 17 17 LYS CB C 17 34.100 33.763 0.337 1
1 88 . 17 1 1 A 17 17 LYS N N 17 123.200 122.613 0.587 1
1 89 . 17 1 1 A 18 18 VAL H H 18 8.900 8.987 -0.087 1
1 90 . 17 1 1 A 18 18 VAL HA H 18 4.990 5.087 -0.097 1
1 98 . 17 1 1 A 18 18 VAL C C 18 174.300 174.256 0.044 1
1 99 . 17 1 1 A 18 18 VAL CA C 18 58.600 58.609 -0.009 1
1 100 . 17 1 1 A 18 18 VAL CB C 18 35.600 35.876 -0.276 1
1 103 . 17 1 1 A 18 18 VAL N N 18 117.500 117.611 -0.111 1
1 104 . 17 1 1 A 19 19 ASN H H 19 7.830 8.483 -0.653 1
1 105 . 17 1 1 A 19 19 ASN HA H 19 5.780 5.511 0.269 1
1 110 . 17 1 1 A 19 19 ASN C C 19 175.300 174.217 1.083 1
1 111 . 17 1 1 A 19 19 ASN CA C 19 51.000 51.890 -0.890 1
1 112 . 17 1 1 A 19 19 ASN CB C 19 39.500 41.042 -1.542 1
1 114 . 17 1 1 A 19 19 ASN N N 19 117.700 119.592 -1.892 1
1 116 . 17 1 1 A 20 20 VAL H H 20 9.140 8.122 1.018 1
1 117 . 17 1 1 A 20 20 VAL HA H 20 5.480 4.967 0.513 1
1 125 . 17 1 1 A 20 20 VAL C C 20 174.900 174.408 0.492 1
1 126 . 17 1 1 A 20 20 VAL CA C 20 61.100 60.620 0.480 1
1 127 . 17 1 1 A 20 20 VAL CB C 20 35.000 34.212 0.788 1
1 130 . 17 1 1 A 20 20 VAL N N 20 120.600 122.816 -2.216 1
1 131 . 17 1 1 A 21 21 SER H H 21 9.700 8.700 1.000 1
1 132 . 17 1 1 A 21 21 SER HA H 21 4.930 5.256 -0.326 1
1 135 . 17 1 1 A 21 21 SER C C 21 172.900 172.511 0.389 1
1 136 . 17 1 1 A 21 21 SER CA C 21 57.300 56.558 0.742 1
1 137 . 17 1 1 A 21 21 SER CB C 21 66.900 66.046 0.854 1
1 138 . 17 1 1 A 21 21 SER N N 21 125.600 122.031 3.569 1
1 139 . 17 1 1 A 22 22 ASN H H 22 9.800 8.837 0.963 1
1 140 . 17 1 1 A 22 22 ASN HA H 22 5.240 5.451 -0.211 1
1 145 . 17 1 1 A 22 22 ASN C C 22 174.200 174.205 -0.005 1
1 146 . 17 1 1 A 22 22 ASN CA C 22 53.500 51.049 2.451 1
1 147 . 17 1 1 A 22 22 ASN CB C 22 43.000 42.528 0.472 1
1 149 . 17 1 1 A 22 22 ASN N N 22 116.100 119.893 -3.793 1
1 151 . 17 1 1 A 23 23 SER H H 23 8.200 8.436 -0.236 1
1 152 . 17 1 1 A 23 23 SER HA H 23 4.370 4.656 -0.286 1
1 155 . 17 1 1 A 23 23 SER CA C 23 59.700 57.386 2.314 1
1 156 . 17 1 1 A 23 23 SER CB C 23 64.500 64.813 -0.313 1
1 157 . 17 1 1 A 23 23 SER N N 23 111.800 114.035 -2.235 1
1 158 . 17 1 1 A 24 24 HIS H H 24 9.070 8.362 0.708 1
1 159 . 17 1 1 A 24 24 HIS HA H 24 4.790 4.099 0.691 1
1 164 . 17 1 1 A 24 24 HIS C C 24 175.100 174.583 0.517 1
1 165 . 17 1 1 A 24 24 HIS CA C 24 57.000 59.729 -2.729 1
1 166 . 17 1 1 A 24 24 HIS CB C 24 31.300 28.056 3.244 1
1 169 . 17 1 1 A 24 24 HIS N N 24 121.900 116.747 5.153 1
1 171 . 17 1 1 A 25 25 ASN H H 25 8.420 9.108 -0.688 1
1 172 . 17 1 1 A 25 25 ASN HA H 25 4.710 4.624 0.086 1
1 177 . 17 1 1 A 25 25 ASN C C 25 173.900 176.065 -2.165 1
1 178 . 17 1 1 A 25 25 ASN CA C 25 52.800 53.750 -0.950 1
1 179 . 17 1 1 A 25 25 ASN CB C 25 39.500 39.155 0.345 1
1 181 . 17 1 1 A 25 25 ASN N N 25 119.300 116.316 2.984 1
1 183 . 17 1 1 A 26 26 ASP H H 26 8.130 8.798 -0.668 1
1 184 . 17 1 1 A 26 26 ASP HA H 26 4.660 4.691 -0.031 1
1 187 . 17 1 1 A 26 26 ASP C C 26 176.300 176.186 0.114 1
1 188 . 17 1 1 A 26 26 ASP CA C 26 53.600 53.812 -0.212 1
1 189 . 17 1 1 A 26 26 ASP CB C 26 40.900 40.638 0.262 1
1 190 . 17 1 1 A 26 26 ASP N N 26 115.800 119.547 -3.747 1
1 191 . 17 1 1 A 27 27 ALA H H 27 8.330 7.315 1.015 1
1 192 . 17 1 1 A 27 27 ALA HA H 27 4.210 4.188 0.022 1
1 196 . 17 1 1 A 27 27 ALA C C 27 178.500 176.971 1.529 1
1 197 . 17 1 1 A 27 27 ALA CA C 27 53.100 52.078 1.022 1
1 198 . 17 1 1 A 27 27 ALA CB C 27 19.200 19.307 -0.107 1
1 199 . 17 1 1 A 27 27 ALA N N 27 124.500 123.404 1.096 1
1 200 . 17 1 1 A 28 28 VAL H H 28 8.310 8.493 -0.183 1
1 201 . 17 1 1 A 28 28 VAL HA H 28 4.360 4.560 -0.200 1
1 209 . 17 1 1 A 28 28 VAL CA C 28 61.000 60.123 0.877 1
1 210 . 17 1 1 A 28 28 VAL CB C 28 35.000 34.877 0.123 1
1 213 . 17 1 1 A 28 28 VAL N N 28 124.500 123.445 1.055 1
1 214 . 17 1 1 A 29 29 ALA H H 29 8.460 8.283 0.177 1
1 215 . 17 1 1 A 29 29 ALA HA H 29 4.590 5.449 -0.859 1
1 219 . 17 1 1 A 29 29 ALA C C 29 175.800 175.872 -0.072 1
1 220 . 17 1 1 A 29 29 ALA CA C 29 50.400 49.617 0.783 1
1 221 . 17 1 1 A 29 29 ALA CB C 29 20.100 21.922 -1.822 1
1 222 . 17 1 1 A 30 30 PHE H H 30 8.640 8.915 -0.275 1
1 223 . 17 1 1 A 30 30 PHE HA H 30 4.870 4.992 -0.122 1
1 231 . 17 1 1 A 30 30 PHE C C 30 175.800 175.329 0.471 1
1 232 . 17 1 1 A 30 30 PHE CA C 30 57.300 56.337 0.963 1
1 233 . 17 1 1 A 30 30 PHE CB C 30 41.600 42.078 -0.478 1
1 239 . 17 1 1 A 30 30 PHE N N 30 122.100 120.089 2.011 1
1 240 . 17 1 1 A 31 31 GLU H H 31 8.670 8.635 0.035 1
1 241 . 17 1 1 A 31 31 GLU HA H 31 3.530 3.854 -0.324 1
1 246 . 17 1 1 A 31 31 GLU C C 31 174.700 174.993 -0.293 1
1 247 . 17 1 1 A 31 31 GLU CA C 31 57.200 57.263 -0.063 1
1 248 . 17 1 1 A 31 31 GLU CB C 31 27.600 28.109 -0.509 1
1 250 . 17 1 1 A 31 31 GLU N N 31 118.900 118.540 0.360 1
1 251 . 17 1 1 A 32 32 VAL H H 32 9.100 7.717 1.383 1
1 252 . 17 1 1 A 32 32 VAL HA H 32 3.770 4.581 -0.811 1
1 260 . 17 1 1 A 32 32 VAL C C 32 175.400 174.755 0.645 1
1 261 . 17 1 1 A 32 32 VAL CA C 32 62.900 60.920 1.980 1
1 262 . 17 1 1 A 32 32 VAL CB C 32 32.200 32.893 -0.693 1
1 265 . 17 1 1 A 32 32 VAL N N 32 122.300 118.292 4.008 1
1 266 . 17 1 1 A 33 33 LYS H H 33 8.330 8.708 -0.378 1
1 267 . 17 1 1 A 33 33 LYS HA H 33 4.980 4.797 0.183 1
1 276 . 17 1 1 A 33 33 LYS C C 33 176.300 175.357 0.943 1
1 277 . 17 1 1 A 33 33 LYS CA C 33 55.700 56.155 -0.455 1
1 278 . 17 1 1 A 33 33 LYS CB C 33 33.500 32.986 0.514 1
1 282 . 17 1 1 A 33 33 LYS N N 33 128.300 130.583 -2.283 1
1 283 . 17 1 1 A 34 34 LEU H H 34 9.140 8.264 0.876 1
1 284 . 17 1 1 A 34 34 LEU HA H 34 4.750 5.026 -0.276 1
1 294 . 17 1 1 A 34 34 LEU C C 34 175.000 176.030 -1.030 1
1 295 . 17 1 1 A 34 34 LEU CA C 34 52.900 53.587 -0.687 1
1 296 . 17 1 1 A 34 34 LEU CB C 34 46.700 46.139 0.561 1
1 300 . 17 1 1 A 34 34 LEU N N 34 126.700 127.858 -1.158 1
1 301 . 17 1 1 A 35 35 ALA H H 35 8.650 8.843 -0.193 1
1 302 . 17 1 1 A 35 35 ALA HA H 35 4.100 4.004 0.096 1
1 306 . 17 1 1 A 35 35 ALA C C 35 178.000 178.023 -0.023 1
1 307 . 17 1 1 A 35 35 ALA CA C 35 52.300 51.966 0.334 1
1 308 . 17 1 1 A 35 35 ALA CB C 35 19.100 18.814 0.286 1
1 309 . 17 1 1 A 35 35 ALA N N 35 126.600 127.256 -0.656 1
1 310 . 17 1 1 A 36 36 LYS H H 36 8.230 8.615 -0.385 1
1 311 . 17 1 1 A 36 36 LYS HA H 36 3.710 4.111 -0.401 1
1 320 . 17 1 1 A 36 36 LYS C C 36 176.000 177.595 -1.595 1
1 321 . 17 1 1 A 36 36 LYS CA C 36 59.800 58.460 1.340 1
1 322 . 17 1 1 A 36 36 LYS CB C 36 33.200 31.988 1.212 1
1 326 . 17 1 1 A 36 36 LYS N N 36 119.200 125.710 -6.510 1
1 327 . 17 1 1 A 37 37 ASP H H 37 8.060 7.924 0.136 1
1 328 . 17 1 1 A 37 37 ASP HA H 37 4.470 4.636 -0.166 1
1 331 . 17 1 1 A 37 37 ASP C C 37 176.800 176.433 0.367 1
1 332 . 17 1 1 A 37 37 ASP CA C 37 53.000 54.611 -1.611 1
1 333 . 17 1 1 A 37 37 ASP CB C 37 39.700 41.126 -1.426 1
1 334 . 17 1 1 A 37 37 ASP N N 37 112.700 117.598 -4.898 1
1 335 . 17 1 1 A 38 38 LEU H H 38 7.170 7.010 0.160 1
1 336 . 17 1 1 A 38 38 LEU HA H 38 4.280 4.215 0.065 1
1 346 . 17 1 1 A 38 38 LEU C C 38 177.600 177.219 0.381 1
1 347 . 17 1 1 A 38 38 LEU CA C 38 55.800 54.962 0.838 1
1 348 . 17 1 1 A 38 38 LEU CB C 38 43.900 42.818 1.082 1
1 352 . 17 1 1 A 38 38 LEU N N 38 122.100 121.358 0.742 1
1 353 . 17 1 1 A 39 39 THR H H 39 8.430 8.395 0.035 1
1 354 . 17 1 1 A 39 39 THR HA H 39 5.010 4.757 0.253 1
1 360 . 17 1 1 A 39 39 THR C C 39 176.500 176.265 0.235 1
1 361 . 17 1 1 A 39 39 THR CA C 39 60.900 60.404 0.496 1
1 362 . 17 1 1 A 39 39 THR CB C 39 71.200 71.368 -0.168 1
1 364 . 17 1 1 A 39 39 THR N N 39 112.800 114.901 -2.101 1
1 365 . 17 1 1 A 40 40 VAL H H 40 8.740 8.517 0.223 1
1 366 . 17 1 1 A 40 40 VAL HA H 40 3.530 3.688 -0.158 1
1 374 . 17 1 1 A 40 40 VAL C C 40 178.200 177.301 0.899 1
1 375 . 17 1 1 A 40 40 VAL CA C 40 67.300 66.781 0.519 1
1 376 . 17 1 1 A 40 40 VAL CB C 40 31.600 31.721 -0.121 1
1 379 . 17 1 1 A 40 40 VAL N N 40 123.600 122.299 1.301 1
1 380 . 17 1 1 A 41 41 ALA H H 41 8.520 8.169 0.351 1
1 381 . 17 1 1 A 41 41 ALA HA H 41 3.950 3.945 0.005 1
1 385 . 17 1 1 A 41 41 ALA C C 41 180.700 180.085 0.615 1
1 386 . 17 1 1 A 41 41 ALA CA C 41 56.100 55.897 0.203 1
1 387 . 17 1 1 A 41 41 ALA CB C 41 18.800 18.608 0.192 1
1 388 . 17 1 1 A 41 41 ALA N N 41 121.400 122.327 -0.927 1
1 389 . 17 1 1 A 42 42 GLN H H 42 7.740 7.675 0.065 1
1 390 . 17 1 1 A 42 42 GLN HA H 42 4.060 4.030 0.030 1
1 397 . 17 1 1 A 42 42 GLN C C 42 180.300 178.684 1.616 1
1 398 . 17 1 1 A 42 42 GLN CA C 42 58.600 58.850 -0.250 1
1 399 . 17 1 1 A 42 42 GLN CB C 42 29.200 28.533 0.667 1
1 402 . 17 1 1 A 42 42 GLN N N 42 117.500 117.864 -0.364 1
1 404 . 17 1 1 A 43 43 LEU H H 43 9.210 7.958 1.252 1
1 405 . 17 1 1 A 43 43 LEU HA H 43 3.940 4.119 -0.179 1
1 415 . 17 1 1 A 43 43 LEU C C 43 178.300 178.764 -0.464 1
1 416 . 17 1 1 A 43 43 LEU CA C 43 57.900 57.726 0.174 1
1 417 . 17 1 1 A 43 43 LEU CB C 43 41.300 41.795 -0.495 1
1 421 . 17 1 1 A 43 43 LEU N N 43 123.000 121.596 1.404 1
1 422 . 17 1 1 A 44 44 LYS H H 44 8.740 8.081 0.659 1
1 423 . 17 1 1 A 44 44 LYS HA H 44 3.860 3.966 -0.106 1
1 432 . 17 1 1 A 44 44 LYS C C 44 178.300 179.072 -0.772 1
1 433 . 17 1 1 A 44 44 LYS CA C 44 61.100 59.319 1.781 1
1 434 . 17 1 1 A 44 44 LYS CB C 44 32.800 32.270 0.530 1
1 438 . 17 1 1 A 44 44 LYS N N 44 119.300 118.874 0.426 1
1 439 . 17 1 1 A 45 45 THR H H 45 7.440 7.740 -0.300 1
1 440 . 17 1 1 A 45 45 THR HA H 45 3.930 3.845 0.085 1
1 445 . 17 1 1 A 45 45 THR C C 45 176.700 176.310 0.390 1
1 446 . 17 1 1 A 45 45 THR CA C 45 67.100 67.218 -0.118 1
1 447 . 17 1 1 A 45 45 THR CB C 45 68.800 68.338 0.462 1
1 449 . 17 1 1 A 45 45 THR N N 45 114.000 118.094 -4.094 1
1 450 . 17 1 1 A 46 46 LYS H H 46 7.500 7.668 -0.168 1
1 451 . 17 1 1 A 46 46 LYS HA H 46 4.100 4.001 0.099 1
1 460 . 17 1 1 A 46 46 LYS C C 46 179.700 179.575 0.125 1
1 461 . 17 1 1 A 46 46 LYS CA C 46 59.400 59.903 -0.503 1
1 462 . 17 1 1 A 46 46 LYS CB C 46 32.100 32.300 -0.200 1
1 466 . 17 1 1 A 46 46 LYS N N 46 121.700 120.358 1.342 1
1 467 . 17 1 1 A 47 47 LEU H H 47 9.010 8.446 0.564 1
1 468 . 17 1 1 A 47 47 LEU HA H 47 4.040 3.931 0.109 1
1 478 . 17 1 1 A 47 47 LEU C C 47 180.000 178.613 1.387 1
1 479 . 17 1 1 A 47 47 LEU CA C 47 57.200 58.073 -0.873 1
1 480 . 17 1 1 A 47 47 LEU CB C 47 40.700 41.199 -0.499 1
1 484 . 17 1 1 A 47 47 LEU N N 47 118.000 119.857 -1.857 1
1 485 . 17 1 1 A 48 48 GLU H H 48 8.450 8.781 -0.331 1
1 486 . 17 1 1 A 48 48 GLU HA H 48 4.050 4.007 0.043 1
1 491 . 17 1 1 A 48 48 GLU C C 48 178.800 179.324 -0.524 1
1 492 . 17 1 1 A 48 48 GLU CA C 48 59.700 59.544 0.156 1
1 493 . 17 1 1 A 48 48 GLU CB C 48 29.400 29.450 -0.050 1
1 495 . 17 1 1 A 48 48 GLU N N 48 126.300 119.907 6.393 1
1 496 . 17 1 1 A 49 49 ILE H H 49 7.180 7.630 -0.450 1
1 497 . 17 1 1 A 49 49 ILE HA H 49 3.780 3.679 0.101 1
1 507 . 17 1 1 A 49 49 ILE C C 49 178.000 178.039 -0.039 1
1 508 . 17 1 1 A 49 49 ILE CA C 49 64.000 65.378 -1.378 1
1 509 . 17 1 1 A 49 49 ILE CB C 49 38.100 37.752 0.348 1
1 513 . 17 1 1 A 49 49 ILE N N 49 119.600 119.728 -0.128 1
1 514 . 17 1 1 A 50 50 LEU H H 50 7.520 7.851 -0.331 1
1 515 . 17 1 1 A 50 50 LEU HA H 50 4.160 3.943 0.217 1
1 525 . 17 1 1 A 50 50 LEU C C 50 178.400 178.597 -0.197 1
1 526 . 17 1 1 A 50 50 LEU CA C 50 57.500 58.220 -0.720 1
1 527 . 17 1 1 A 50 50 LEU CB C 50 44.300 41.650 2.650 1
1 531 . 17 1 1 A 50 50 LEU N N 50 116.800 121.122 -4.322 1
1 532 . 17 1 1 A 51 51 THR H H 51 8.160 8.289 -0.129 1
1 533 . 17 1 1 A 51 51 THR HA H 51 4.490 4.413 0.077 1
1 538 . 17 1 1 A 51 51 THR C C 51 175.600 176.268 -0.668 1
1 539 . 17 1 1 A 51 51 THR CA C 51 62.400 62.318 0.082 1
1 540 . 17 1 1 A 51 51 THR CB C 51 72.900 70.668 2.232 1
1 542 . 17 1 1 A 51 51 THR N N 51 104.100 107.293 -3.193 1
1 543 . 17 1 1 A 52 52 GLY H H 52 8.080 8.429 -0.349 1
1 544 . 17 1 1 A 52 52 GLY HA2 H 52 3.830 3.931 -0.101 1
1 545 . 17 1 1 A 52 52 GLY HA3 H 52 4.250 3.932 0.318 1
1 546 . 17 1 1 A 52 52 GLY C C 52 174.800 174.701 0.099 1
1 547 . 17 1 1 A 52 52 GLY CA C 52 45.500 45.688 -0.188 1
1 548 . 17 1 1 A 52 52 GLY N N 52 112.100 112.176 -0.076 1
1 549 . 17 1 1 A 53 53 GLY H H 53 7.880 7.728 0.152 1
1 550 . 17 1 1 A 53 53 GLY HA2 H 53 3.220 4.038 -0.818 1
1 551 . 17 1 1 A 53 53 GLY HA3 H 53 4.040 4.039 0.001 1
1 552 . 17 1 1 A 53 53 GLY C C 53 170.900 172.443 -1.543 1
1 553 . 17 1 1 A 53 53 GLY CA C 53 44.300 44.527 -0.227 1
1 554 . 17 1 1 A 53 53 GLY N N 53 107.000 107.361 -0.361 1
1 555 . 17 1 1 A 54 54 CYS H H 54 8.690 8.465 0.225 1
1 556 . 17 1 1 A 54 54 CYS HA H 54 4.430 4.594 -0.164 1
1 559 . 17 1 1 A 54 54 CYS C C 54 176.100 176.112 -0.012 1
1 560 . 17 1 1 A 54 54 CYS CA C 54 57.900 58.470 -0.570 1
1 561 . 17 1 1 A 54 54 CYS CB C 54 27.800 29.029 -1.229 1
1 562 . 17 1 1 A 54 54 CYS N N 54 120.200 118.555 1.645 1
1 563 . 17 1 1 A 55 55 ALA H H 55 10.100 9.046 1.054 1
1 564 . 17 1 1 A 55 55 ALA HA H 55 3.890 3.936 -0.046 1
1 568 . 17 1 1 A 55 55 ALA C C 55 178.900 179.522 -0.622 1
1 569 . 17 1 1 A 55 55 ALA CA C 55 55.700 55.108 0.592 1
1 570 . 17 1 1 A 55 55 ALA CB C 55 18.500 18.431 0.069 1
1 571 . 17 1 1 A 55 55 ALA N N 55 133.900 130.203 3.697 1
1 572 . 17 1 1 A 56 56 GLY H H 56 8.380 7.933 0.447 1
1 573 . 17 1 1 A 56 56 GLY HA2 H 56 3.910 3.744 0.166 1
1 574 . 17 1 1 A 56 56 GLY HA3 H 56 3.910 3.744 0.166 1
1 575 . 17 1 1 A 56 56 GLY C C 56 174.600 175.240 -0.640 1
1 576 . 17 1 1 A 56 56 GLY CA C 56 45.900 46.984 -1.084 1
1 577 . 17 1 1 A 56 56 GLY N N 56 104.300 105.398 -1.098 1
1 578 . 17 1 1 A 57 57 THR H H 57 7.310 7.158 0.152 1
1 579 . 17 1 1 A 57 57 THR HA H 57 4.520 4.405 0.115 1
1 584 . 17 1 1 A 57 57 THR C C 57 175.500 174.496 1.004 1
1 585 . 17 1 1 A 57 57 THR CA C 57 61.400 62.157 -0.757 1
1 586 . 17 1 1 A 57 57 THR CB C 57 69.900 69.418 0.482 1
1 588 . 17 1 1 A 57 57 THR N N 57 107.700 110.440 -2.740 1
1 589 . 17 1 1 A 58 58 MET H H 58 7.910 7.490 0.420 1
1 590 . 17 1 1 A 58 58 MET HA H 58 4.540 4.513 0.027 1
1 598 . 17 1 1 A 58 58 MET C C 58 175.100 175.955 -0.855 1
1 599 . 17 1 1 A 58 58 MET CA C 58 56.900 55.187 1.713 1
1 600 . 17 1 1 A 58 58 MET CB C 58 33.700 33.568 0.132 1
1 603 . 17 1 1 A 58 58 MET N N 58 120.700 123.064 -2.364 1
1 604 . 17 1 1 A 59 59 LYS H H 59 8.780 8.329 0.451 1
1 605 . 17 1 1 A 59 59 LYS HA H 59 4.610 5.160 -0.550 1
1 614 . 17 1 1 A 59 59 LYS C C 59 174.500 175.120 -0.620 1
1 615 . 17 1 1 A 59 59 LYS CA C 59 54.500 54.778 -0.278 1
1 616 . 17 1 1 A 59 59 LYS CB C 59 34.700 35.956 -1.256 1
1 620 . 17 1 1 A 59 59 LYS N N 59 122.400 125.290 -2.890 1
1 621 . 17 1 1 A 60 60 VAL H H 60 8.740 8.682 0.058 1
1 622 . 17 1 1 A 60 60 VAL HA H 60 4.700 4.949 -0.249 1
1 630 . 17 1 1 A 60 60 VAL C C 60 175.000 175.320 -0.320 1
1 631 . 17 1 1 A 60 60 VAL CA C 60 61.300 60.940 0.360 1
1 632 . 17 1 1 A 60 60 VAL CB C 60 33.400 34.015 -0.615 1
1 635 . 17 1 1 A 60 60 VAL N N 60 122.100 123.014 -0.914 1
1 636 . 17 1 1 A 61 61 GLN H H 61 9.250 8.744 0.506 1
1 637 . 17 1 1 A 61 61 GLN HA H 61 4.790 5.053 -0.263 1
1 644 . 17 1 1 A 61 61 GLN C C 61 174.700 174.950 -0.250 1
1 645 . 17 1 1 A 61 61 GLN CA C 61 54.200 54.201 -0.001 1
1 646 . 17 1 1 A 61 61 GLN CB C 61 32.800 32.486 0.314 1
1 649 . 17 1 1 A 61 61 GLN N N 61 126.400 125.982 0.418 1
1 651 . 17 1 1 A 62 62 VAL H H 62 8.690 8.384 0.306 1
1 652 . 17 1 1 A 62 62 VAL HA H 62 4.650 4.545 0.105 1
1 660 . 17 1 1 A 62 62 VAL C C 62 174.700 175.269 -0.569 1
1 661 . 17 1 1 A 62 62 VAL CA C 62 61.800 62.395 -0.595 1
1 662 . 17 1 1 A 62 62 VAL CB C 62 32.500 32.189 0.311 1
1 665 . 17 1 1 A 62 62 VAL N N 62 121.700 123.624 -1.924 1
1 666 . 17 1 1 A 63 63 PHE H H 63 10.020 9.143 0.877 1
1 667 . 17 1 1 A 63 63 PHE HA H 63 5.170 5.198 -0.028 1
1 675 . 17 1 1 A 63 63 PHE C C 63 175.100 174.435 0.665 1
1 676 . 17 1 1 A 63 63 PHE CA C 63 56.800 55.824 0.976 1
1 677 . 17 1 1 A 63 63 PHE CB C 63 42.900 42.749 0.151 1
1 683 . 17 1 1 A 63 63 PHE N N 63 127.100 126.492 0.608 1
1 684 . 17 1 1 A 64 64 LYS H H 64 8.710 8.388 0.322 1
1 685 . 17 1 1 A 64 64 LYS HA H 64 4.650 4.625 0.025 1
1 694 . 17 1 1 A 64 64 LYS C C 64 176.900 176.591 0.309 1
1 695 . 17 1 1 A 64 64 LYS CA C 64 55.100 54.839 0.261 1
1 696 . 17 1 1 A 64 64 LYS CB C 64 34.100 33.602 0.498 1
1 700 . 17 1 1 A 64 64 LYS N N 64 123.900 123.494 0.406 1
1 701 . 17 1 1 A 65 65 GLY H H 65 9.160 8.997 0.163 1
1 702 . 17 1 1 A 65 65 GLY HA2 H 65 3.680 3.890 -0.210 1
1 703 . 17 1 1 A 65 65 GLY HA3 H 65 4.050 3.892 0.158 1
1 704 . 17 1 1 A 65 65 GLY C C 65 174.600 174.493 0.107 1
1 705 . 17 1 1 A 65 65 GLY CA C 65 47.200 47.061 0.139 1
1 706 . 17 1 1 A 65 65 GLY N N 65 118.800 115.391 3.409 1
1 707 . 17 1 1 A 66 66 ASP H H 66 8.760 8.698 0.062 1
1 708 . 17 1 1 A 66 66 ASP HA H 66 4.700 4.781 -0.081 1
1 711 . 17 1 1 A 66 66 ASP C C 66 176.000 175.234 0.766 1
1 712 . 17 1 1 A 66 66 ASP CA C 66 54.300 53.974 0.326 1
1 713 . 17 1 1 A 66 66 ASP CB C 66 41.300 42.763 -1.463 1
1 714 . 17 1 1 A 66 66 ASP N N 66 126.400 126.171 0.229 1
1 715 . 17 1 1 A 67 67 THR H H 67 8.020 7.547 0.473 1
1 716 . 17 1 1 A 67 67 THR HA H 67 4.300 4.857 -0.557 1
1 721 . 17 1 1 A 67 67 THR C C 67 172.100 173.903 -1.803 1
1 722 . 17 1 1 A 67 67 THR CA C 67 62.400 61.220 1.180 1
1 723 . 17 1 1 A 67 67 THR CB C 67 70.700 71.230 -0.530 1
1 725 . 17 1 1 A 67 67 THR N N 67 117.500 114.545 2.955 1
1 726 . 17 1 1 A 68 68 CYS H H 68 8.940 8.885 0.055 1
1 727 . 17 1 1 A 68 68 CYS HA H 68 3.400 4.056 -0.656 1
1 730 . 17 1 1 A 68 68 CYS C C 68 174.900 175.380 -0.480 1
1 731 . 17 1 1 A 68 68 CYS CA C 68 58.700 58.432 0.268 1
1 732 . 17 1 1 A 68 68 CYS CB C 68 25.600 27.946 -2.346 1
1 733 . 17 1 1 A 68 68 CYS N N 68 129.500 124.253 5.247 1
1 734 . 17 1 1 A 69 69 VAL H H 69 9.090 8.207 0.883 1
1 735 . 17 1 1 A 69 69 VAL HA H 69 4.150 4.313 -0.163 1
1 743 . 17 1 1 A 69 69 VAL C C 69 176.300 176.051 0.249 1
1 744 . 17 1 1 A 69 69 VAL CA C 69 62.900 62.297 0.603 1
1 745 . 17 1 1 A 69 69 VAL CB C 69 32.800 33.028 -0.228 1
1 748 . 17 1 1 A 69 69 VAL N N 69 127.500 121.003 6.497 1
1 749 . 17 1 1 A 70 70 SER H H 70 7.640 7.693 -0.053 1
1 750 . 17 1 1 A 70 70 SER HA H 70 4.550 4.686 -0.136 1
1 753 . 17 1 1 A 70 70 SER C C 70 172.300 171.641 0.659 1
1 754 . 17 1 1 A 70 70 SER CA C 70 58.700 57.425 1.275 1
1 755 . 17 1 1 A 70 70 SER CB C 70 65.100 65.446 -0.346 1
1 756 . 17 1 1 A 70 70 SER N N 70 113.400 113.531 -0.131 1
1 757 . 17 1 1 A 71 71 THR H H 71 8.220 8.525 -0.305 1
1 758 . 17 1 1 A 71 71 THR HA H 71 4.580 4.771 -0.191 1
1 763 . 17 1 1 A 71 71 THR C C 71 174.000 174.407 -0.407 1
1 764 . 17 1 1 A 71 71 THR CA C 71 61.800 61.214 0.586 1
1 765 . 17 1 1 A 71 71 THR CB C 71 70.500 71.100 -0.600 1
1 767 . 17 1 1 A 71 71 THR N N 71 114.500 115.916 -1.416 1
1 768 . 17 1 1 A 72 72 MET H H 72 8.260 8.843 -0.583 1
1 769 . 17 1 1 A 72 72 MET HA H 72 2.990 3.959 -0.969 1
1 777 . 17 1 1 A 72 72 MET C C 72 175.700 175.496 0.204 1
1 778 . 17 1 1 A 72 72 MET CA C 72 55.100 54.352 0.748 1
1 779 . 17 1 1 A 72 72 MET CB C 72 30.200 30.483 -0.283 1
1 782 . 17 1 1 A 72 72 MET N N 72 121.800 125.682 -3.882 1
1 783 . 17 1 1 A 73 73 ASP H H 73 7.830 8.743 -0.913 1
1 784 . 17 1 1 A 73 73 ASP HA H 73 4.370 4.381 -0.011 1
1 787 . 17 1 1 A 73 73 ASP C C 73 175.100 176.842 -1.742 1
1 788 . 17 1 1 A 73 73 ASP CA C 73 55.800 56.907 -1.107 1
1 789 . 17 1 1 A 73 73 ASP CB C 73 41.800 40.760 1.040 1
1 790 . 17 1 1 A 73 73 ASP N N 73 125.100 124.369 0.731 1
1 791 . 17 1 1 A 74 74 ASN H H 74 7.480 7.816 -0.336 1
1 792 . 17 1 1 A 74 74 ASN HA H 74 4.890 4.780 0.110 1
1 797 . 17 1 1 A 74 74 ASN C C 74 175.800 176.090 -0.290 1
1 798 . 17 1 1 A 74 74 ASN CA C 74 51.600 52.789 -1.189 1
1 799 . 17 1 1 A 74 74 ASN CB C 74 38.800 39.269 -0.469 1
1 801 . 17 1 1 A 74 74 ASN N N 74 116.400 116.828 -0.428 1
1 803 . 17 1 1 A 75 75 ASN H H 75 8.870 9.019 -0.149 1
1 804 . 17 1 1 A 75 75 ASN HA H 75 4.390 4.599 -0.209 1
1 809 . 17 1 1 A 75 75 ASN C C 75 175.700 175.326 0.374 1
1 810 . 17 1 1 A 75 75 ASN CA C 75 55.600 54.832 0.768 1
1 811 . 17 1 1 A 75 75 ASN CB C 75 39.200 37.529 1.671 1
1 813 . 17 1 1 A 75 75 ASN N N 75 123.600 124.267 -0.667 1
1 815 . 17 1 1 A 76 76 ASP H H 76 8.060 7.989 0.071 1
1 816 . 17 1 1 A 76 76 ASP HA H 76 4.750 4.704 0.046 1
1 819 . 17 1 1 A 76 76 ASP C C 76 176.200 175.940 0.260 1
1 820 . 17 1 1 A 76 76 ASP CA C 76 54.200 54.359 -0.159 1
1 821 . 17 1 1 A 76 76 ASP CB C 76 41.700 41.504 0.196 1
1 822 . 17 1 1 A 76 76 ASP N N 76 115.100 118.396 -3.296 1
1 823 . 17 1 1 A 77 77 ALA H H 77 7.140 7.205 -0.065 1
1 824 . 17 1 1 A 77 77 ALA HA H 77 4.160 4.160 0.000 1
1 828 . 17 1 1 A 77 77 ALA C C 77 176.100 177.160 -1.060 1
1 829 . 17 1 1 A 77 77 ALA CA C 77 51.400 52.166 -0.766 1
1 830 . 17 1 1 A 77 77 ALA CB C 77 20.100 19.603 0.497 1
1 831 . 17 1 1 A 77 77 ALA N N 77 122.600 123.128 -0.528 1
1 832 . 17 1 1 A 78 78 GLN H H 78 8.090 8.914 -0.824 1
1 833 . 17 1 1 A 78 78 GLN HA H 78 4.750 4.462 0.288 1
1 840 . 17 1 1 A 78 78 GLN C C 78 177.900 177.742 0.158 1
1 841 . 17 1 1 A 78 78 GLN CA C 78 55.200 55.327 -0.127 1
1 842 . 17 1 1 A 78 78 GLN CB C 78 29.500 29.564 -0.064 1
1 845 . 17 1 1 A 78 78 GLN N N 78 116.500 120.355 -3.855 1
1 847 . 17 1 1 A 79 79 LEU H H 79 9.380 8.991 0.389 1
1 848 . 17 1 1 A 79 79 LEU HA H 79 4.060 4.190 -0.130 1
1 858 . 17 1 1 A 79 79 LEU C C 79 179.200 179.288 -0.088 1
1 859 . 17 1 1 A 79 79 LEU CA C 79 58.900 57.998 0.902 1
1 860 . 17 1 1 A 79 79 LEU CB C 79 42.000 41.607 0.393 1
1 864 . 17 1 1 A 79 79 LEU N N 79 123.800 125.946 -2.146 1
1 865 . 17 1 1 A 80 80 GLY H H 80 9.130 7.992 1.138 1
1 866 . 17 1 1 A 80 80 GLY HA2 H 80 3.750 3.937 -0.187 1
1 867 . 17 1 1 A 80 80 GLY HA3 H 80 4.160 3.960 0.200 1
1 868 . 17 1 1 A 80 80 GLY C C 80 174.100 174.954 -0.854 1
1 869 . 17 1 1 A 80 80 GLY CA C 80 45.600 46.141 -0.541 1
1 870 . 17 1 1 A 80 80 GLY N N 80 104.000 106.260 -2.260 1
1 871 . 17 1 1 A 81 81 TYR H H 81 7.900 7.958 -0.058 1
1 872 . 17 1 1 A 81 81 TYR HA H 81 4.000 3.958 0.042 1
1 879 . 17 1 1 A 81 81 TYR C C 81 176.300 176.799 -0.499 1
1 880 . 17 1 1 A 81 81 TYR CA C 81 60.600 60.808 -0.208 1
1 881 . 17 1 1 A 81 81 TYR CB C 81 38.700 38.244 0.456 1
1 886 . 17 1 1 A 81 81 TYR N N 81 120.300 122.686 -2.386 1
1 887 . 17 1 1 A 82 82 TYR H H 82 7.430 7.763 -0.333 1
1 888 . 17 1 1 A 82 82 TYR HA H 82 4.340 4.579 -0.239 1
1 895 . 17 1 1 A 82 82 TYR C C 82 175.500 176.796 -1.296 1
1 896 . 17 1 1 A 82 82 TYR CA C 82 58.700 59.424 -0.724 1
1 897 . 17 1 1 A 82 82 TYR CB C 82 41.500 40.017 1.483 1
1 902 . 17 1 1 A 82 82 TYR N N 82 114.000 115.171 -1.171 1
1 903 . 17 1 1 A 83 83 ALA H H 83 8.430 7.674 0.756 1
1 904 . 17 1 1 A 83 83 ALA HA H 83 4.380 4.396 -0.016 1
1 908 . 17 1 1 A 83 83 ALA C C 83 173.400 177.460 -4.060 1
1 909 . 17 1 1 A 83 83 ALA CA C 83 51.000 51.126 -0.126 1
1 910 . 17 1 1 A 83 83 ALA CB C 83 19.500 18.181 1.319 1
1 911 . 17 1 1 A 83 83 ALA N N 83 122.900 120.803 2.097 1
1 912 . 17 1 1 A 84 84 ASN H H 84 8.050 8.316 -0.266 1
1 913 . 17 1 1 A 84 84 ASN HA H 84 4.760 5.013 -0.253 1
1 918 . 17 1 1 A 84 84 ASN C C 84 174.600 174.578 0.022 1
1 919 . 17 1 1 A 84 84 ASN CA C 84 52.200 53.576 -1.376 1
1 920 . 17 1 1 A 84 84 ASN CB C 84 39.300 39.251 0.049 1
1 922 . 17 1 1 A 84 84 ASN N N 84 117.300 122.790 -5.490 1
1 924 . 17 1 1 A 85 85 SER H H 85 7.180 7.580 -0.400 1
1 925 . 17 1 1 A 85 85 SER HA H 85 4.670 4.886 -0.216 1
1 928 . 17 1 1 A 85 85 SER C C 85 172.000 172.694 -0.694 1
1 929 . 17 1 1 A 85 85 SER CA C 85 56.900 56.389 0.511 1
1 930 . 17 1 1 A 85 85 SER CB C 85 66.000 65.876 0.124 1
1 931 . 17 1 1 A 85 85 SER N N 85 112.200 114.371 -2.171 1
1 932 . 17 1 1 A 86 86 ASP H H 86 8.320 8.829 -0.509 1
1 933 . 17 1 1 A 86 86 ASP HA H 86 4.920 4.654 0.266 1
1 936 . 17 1 1 A 86 86 ASP C C 86 178.100 177.177 0.923 1
1 937 . 17 1 1 A 86 86 ASP CA C 86 55.000 54.634 0.366 1
1 938 . 17 1 1 A 86 86 ASP CB C 86 42.000 41.776 0.224 1
1 939 . 17 1 1 A 86 86 ASP N N 86 119.100 125.097 -5.997 1
1 940 . 17 1 1 A 87 87 GLY H H 87 8.910 8.588 0.322 1
1 941 . 17 1 1 A 87 87 GLY HA2 H 87 3.850 3.979 -0.129 1
1 942 . 17 1 1 A 87 87 GLY HA3 H 87 4.110 3.988 0.122 1
1 943 . 17 1 1 A 87 87 GLY C C 87 175.400 174.468 0.932 1
1 944 . 17 1 1 A 87 87 GLY CA C 87 46.100 45.122 0.978 1
1 945 . 17 1 1 A 87 87 GLY N N 87 107.900 110.289 -2.389 1
1 946 . 17 1 1 A 88 88 LEU H H 88 8.290 7.819 0.471 1
1 947 . 17 1 1 A 88 88 LEU HA H 88 4.740 4.525 0.215 1
1 957 . 17 1 1 A 88 88 LEU C C 88 175.000 176.177 -1.177 1
1 958 . 17 1 1 A 88 88 LEU CA C 88 54.500 54.562 -0.062 1
1 959 . 17 1 1 A 88 88 LEU CB C 88 43.200 42.691 0.509 1
1 963 . 17 1 1 A 88 88 LEU N N 88 120.300 122.768 -2.468 1
1 964 . 17 1 1 A 89 89 ARG H H 89 8.880 8.810 0.070 1
1 965 . 17 1 1 A 89 89 ARG HA H 89 5.300 5.234 0.066 1
1 973 . 17 1 1 A 89 89 ARG C C 89 174.900 174.421 0.479 1
1 974 . 17 1 1 A 89 89 ARG CA C 89 53.600 54.531 -0.931 1
1 975 . 17 1 1 A 89 89 ARG CB C 89 34.300 33.778 0.522 1
1 979 . 17 1 1 A 89 89 ARG N N 89 121.200 119.344 1.856 1
1 981 . 17 1 1 A 90 90 LEU H H 90 9.250 9.329 -0.079 1
1 982 . 17 1 1 A 90 90 LEU HA H 90 5.270 5.096 0.174 1
1 992 . 17 1 1 A 90 90 LEU C C 90 173.700 175.349 -1.649 1
1 993 . 17 1 1 A 90 90 LEU CA C 90 52.900 53.163 -0.263 1
1 994 . 17 1 1 A 90 90 LEU CB C 90 42.000 43.438 -1.438 1
1 998 . 17 1 1 A 90 90 LEU N N 90 125.500 124.927 0.573 1
1 999 . 17 1 1 A 91 91 HIS H H 91 9.600 9.017 0.583 1
1 1000 . 17 1 1 A 91 91 HIS HA H 91 5.280 5.189 0.091 1
1 1005 . 17 1 1 A 91 91 HIS C C 91 174.300 173.630 0.670 1
1 1006 . 17 1 1 A 91 91 HIS CA C 91 54.500 54.258 0.242 1
1 1007 . 17 1 1 A 91 91 HIS CB C 91 35.200 32.369 2.831 1
1 1010 . 17 1 1 A 91 91 HIS N N 91 124.800 125.097 -0.297 1
1 1013 . 17 1 1 A 92 92 VAL H H 92 8.300 8.856 -0.556 1
1 1014 . 17 1 1 A 92 92 VAL HA H 92 4.110 4.507 -0.397 1
1 1022 . 17 1 1 A 92 92 VAL C C 92 174.200 174.897 -0.697 1
1 1023 . 17 1 1 A 92 92 VAL CA C 92 62.900 61.381 1.519 1
1 1024 . 17 1 1 A 92 92 VAL CB C 92 32.600 33.072 -0.472 1
1 1027 . 17 1 1 A 92 92 VAL N N 92 128.400 126.917 1.483 1
1 1028 . 17 1 1 A 93 93 VAL H H 93 8.950 8.575 0.375 1
1 1029 . 17 1 1 A 93 93 VAL HA H 93 4.170 4.750 -0.580 1
1 1037 . 17 1 1 A 93 93 VAL C C 93 175.600 173.826 1.774 1
1 1038 . 17 1 1 A 93 93 VAL CA C 93 61.100 60.823 0.277 1
1 1039 . 17 1 1 A 93 93 VAL CB C 93 33.300 34.003 -0.703 1
1 1042 . 17 1 1 A 93 93 VAL N N 93 127.800 128.020 -0.220 1
1 1043 . 17 1 1 A 94 94 ASP H H 94 8.280 8.498 -0.218 1
1 1044 . 17 1 1 A 94 94 ASP HA H 94 4.850 5.316 -0.466 1
1 1047 . 17 1 1 A 94 94 ASP C C 94 174.700 174.779 -0.079 1
1 1048 . 17 1 1 A 94 94 ASP CA C 94 53.800 52.752 1.048 1
1 1049 . 17 1 1 A 94 94 ASP CB C 94 42.500 42.687 -0.187 1
1 1050 . 17 1 1 A 94 94 ASP N N 94 127.100 128.723 -1.623 1
1 1 . 18 1 1 A 11 11 GLY C C 11 174.100 172.403 1.697 1
1 2 . 18 1 1 A 11 11 GLY CA C 11 45.300 45.318 -0.018 1
1 3 . 18 1 1 A 12 12 LYS H H 12 8.180 8.504 -0.324 1
1 4 . 18 1 1 A 12 12 LYS HA H 12 4.320 4.523 -0.203 1
1 13 . 18 1 1 A 12 12 LYS C C 12 176.700 176.796 -0.096 1
1 14 . 18 1 1 A 12 12 LYS CA C 12 56.400 55.381 1.019 1
1 15 . 18 1 1 A 12 12 LYS CB C 12 33.200 33.651 -0.451 1
1 19 . 18 1 1 A 12 12 LYS N N 12 120.600 124.470 -3.870 1
1 20 . 18 1 1 A 13 13 SER H H 13 8.360 8.766 -0.406 1
1 21 . 18 1 1 A 13 13 SER HA H 13 4.450 4.413 0.037 1
1 24 . 18 1 1 A 13 13 SER C C 13 173.800 174.555 -0.755 1
1 25 . 18 1 1 A 13 13 SER CA C 13 58.000 58.229 -0.229 1
1 26 . 18 1 1 A 13 13 SER CB C 13 63.900 64.102 -0.202 1
1 27 . 18 1 1 A 13 13 SER N N 13 116.300 123.015 -6.715 1
1 28 . 18 1 1 A 14 14 ASP H H 14 8.450 8.698 -0.248 1
1 29 . 18 1 1 A 14 14 ASP HA H 14 4.670 4.413 0.257 1
1 32 . 18 1 1 A 14 14 ASP C C 14 175.100 175.356 -0.256 1
1 33 . 18 1 1 A 14 14 ASP CA C 14 54.400 54.937 -0.537 1
1 34 . 18 1 1 A 14 14 ASP CB C 14 41.500 40.496 1.004 1
1 35 . 18 1 1 A 14 14 ASP N N 14 122.400 123.152 -0.752 1
1 36 . 18 1 1 A 15 15 PHE H H 15 8.110 7.560 0.550 1
1 37 . 18 1 1 A 15 15 PHE HA H 15 5.290 5.104 0.186 1
1 45 . 18 1 1 A 15 15 PHE C C 15 175.000 175.226 -0.226 1
1 46 . 18 1 1 A 15 15 PHE CA C 15 56.600 56.509 0.091 1
1 47 . 18 1 1 A 15 15 PHE CB C 15 42.600 41.901 0.699 1
1 53 . 18 1 1 A 15 15 PHE N N 15 118.500 116.602 1.898 1
1 54 . 18 1 1 A 16 16 ILE H H 16 9.160 8.560 0.600 1
1 55 . 18 1 1 A 16 16 ILE HA H 16 4.710 5.056 -0.346 1
1 65 . 18 1 1 A 16 16 ILE C C 16 173.400 174.136 -0.736 1
1 66 . 18 1 1 A 16 16 ILE CA C 16 59.300 59.081 0.219 1
1 67 . 18 1 1 A 16 16 ILE CB C 16 42.100 41.904 0.196 1
1 71 . 18 1 1 A 16 16 ILE N N 16 116.700 116.766 -0.066 1
1 72 . 18 1 1 A 17 17 LYS H H 17 8.530 8.598 -0.068 1
1 73 . 18 1 1 A 17 17 LYS HA H 17 5.220 4.983 0.237 1
1 82 . 18 1 1 A 17 17 LYS C C 17 176.400 175.771 0.629 1
1 83 . 18 1 1 A 17 17 LYS CA C 17 54.900 55.443 -0.543 1
1 84 . 18 1 1 A 17 17 LYS CB C 17 34.100 33.497 0.603 1
1 88 . 18 1 1 A 17 17 LYS N N 17 123.200 123.081 0.119 1
1 89 . 18 1 1 A 18 18 VAL H H 18 8.900 8.953 -0.053 1
1 90 . 18 1 1 A 18 18 VAL HA H 18 4.990 4.964 0.026 1
1 98 . 18 1 1 A 18 18 VAL C C 18 174.300 174.397 -0.097 1
1 99 . 18 1 1 A 18 18 VAL CA C 18 58.600 58.599 0.001 1
1 100 . 18 1 1 A 18 18 VAL CB C 18 35.600 35.913 -0.313 1
1 103 . 18 1 1 A 18 18 VAL N N 18 117.500 117.682 -0.182 1
1 104 . 18 1 1 A 19 19 ASN H H 19 7.830 8.646 -0.816 1
1 105 . 18 1 1 A 19 19 ASN HA H 19 5.780 5.499 0.281 1
1 110 . 18 1 1 A 19 19 ASN C C 19 175.300 174.309 0.991 1
1 111 . 18 1 1 A 19 19 ASN CA C 19 51.000 52.060 -1.060 1
1 112 . 18 1 1 A 19 19 ASN CB C 19 39.500 40.778 -1.278 1
1 114 . 18 1 1 A 19 19 ASN N N 19 117.700 119.316 -1.616 1
1 116 . 18 1 1 A 20 20 VAL H H 20 9.140 8.159 0.981 1
1 117 . 18 1 1 A 20 20 VAL HA H 20 5.480 4.987 0.493 1
1 125 . 18 1 1 A 20 20 VAL C C 20 174.900 174.442 0.458 1
1 126 . 18 1 1 A 20 20 VAL CA C 20 61.100 60.546 0.554 1
1 127 . 18 1 1 A 20 20 VAL CB C 20 35.000 34.616 0.384 1
1 130 . 18 1 1 A 20 20 VAL N N 20 120.600 123.073 -2.473 1
1 131 . 18 1 1 A 21 21 SER H H 21 9.700 8.872 0.828 1
1 132 . 18 1 1 A 21 21 SER HA H 21 4.930 4.947 -0.017 1
1 135 . 18 1 1 A 21 21 SER C C 21 172.900 172.219 0.681 1
1 136 . 18 1 1 A 21 21 SER CA C 21 57.300 56.012 1.288 1
1 137 . 18 1 1 A 21 21 SER CB C 21 66.900 65.873 1.027 1
1 138 . 18 1 1 A 21 21 SER N N 21 125.600 121.489 4.111 1
1 139 . 18 1 1 A 22 22 ASN H H 22 9.800 8.734 1.066 1
1 140 . 18 1 1 A 22 22 ASN HA H 22 5.240 5.132 0.108 1
1 145 . 18 1 1 A 22 22 ASN C C 22 174.200 174.764 -0.564 1
1 146 . 18 1 1 A 22 22 ASN CA C 22 53.500 51.805 1.695 1
1 147 . 18 1 1 A 22 22 ASN CB C 22 43.000 42.567 0.433 1
1 149 . 18 1 1 A 22 22 ASN N N 22 116.100 119.839 -3.739 1
1 151 . 18 1 1 A 23 23 SER H H 23 8.200 8.575 -0.375 1
1 152 . 18 1 1 A 23 23 SER HA H 23 4.370 4.485 -0.115 1
1 155 . 18 1 1 A 23 23 SER CA C 23 59.700 61.206 -1.506 1
1 156 . 18 1 1 A 23 23 SER CB C 23 64.500 63.352 1.148 1
1 157 . 18 1 1 A 23 23 SER N N 23 111.800 117.114 -5.314 1
1 158 . 18 1 1 A 24 24 HIS H H 24 9.070 8.477 0.593 1
1 159 . 18 1 1 A 24 24 HIS HA H 24 4.790 4.305 0.485 1
1 164 . 18 1 1 A 24 24 HIS C C 24 175.100 176.333 -1.233 1
1 165 . 18 1 1 A 24 24 HIS CA C 24 57.000 59.117 -2.117 1
1 166 . 18 1 1 A 24 24 HIS CB C 24 31.300 29.935 1.365 1
1 169 . 18 1 1 A 24 24 HIS N N 24 121.900 118.223 3.677 1
1 171 . 18 1 1 A 25 25 ASN H H 25 8.420 7.950 0.470 1
1 172 . 18 1 1 A 25 25 ASN HA H 25 4.710 4.588 0.122 1
1 177 . 18 1 1 A 25 25 ASN C C 25 173.900 175.314 -1.414 1
1 178 . 18 1 1 A 25 25 ASN CA C 25 52.800 53.665 -0.865 1
1 179 . 18 1 1 A 25 25 ASN CB C 25 39.500 40.145 -0.645 1
1 181 . 18 1 1 A 25 25 ASN N N 25 119.300 115.872 3.428 1
1 183 . 18 1 1 A 26 26 ASP H H 26 8.130 8.934 -0.804 1
1 184 . 18 1 1 A 26 26 ASP HA H 26 4.660 4.795 -0.135 1
1 187 . 18 1 1 A 26 26 ASP C C 26 176.300 176.182 0.118 1
1 188 . 18 1 1 A 26 26 ASP CA C 26 53.600 53.331 0.269 1
1 189 . 18 1 1 A 26 26 ASP CB C 26 40.900 40.919 -0.019 1
1 190 . 18 1 1 A 26 26 ASP N N 26 115.800 124.025 -8.225 1
1 191 . 18 1 1 A 27 27 ALA H H 27 8.330 7.915 0.415 1
1 192 . 18 1 1 A 27 27 ALA HA H 27 4.210 4.219 -0.009 1
1 196 . 18 1 1 A 27 27 ALA C C 27 178.500 177.025 1.475 1
1 197 . 18 1 1 A 27 27 ALA CA C 27 53.100 52.351 0.749 1
1 198 . 18 1 1 A 27 27 ALA CB C 27 19.200 19.396 -0.196 1
1 199 . 18 1 1 A 27 27 ALA N N 27 124.500 121.701 2.799 1
1 200 . 18 1 1 A 28 28 VAL H H 28 8.310 8.563 -0.253 1
1 201 . 18 1 1 A 28 28 VAL HA H 28 4.360 4.583 -0.223 1
1 209 . 18 1 1 A 28 28 VAL CA C 28 61.000 60.187 0.813 1
1 210 . 18 1 1 A 28 28 VAL CB C 28 35.000 35.401 -0.401 1
1 213 . 18 1 1 A 28 28 VAL N N 28 124.500 121.940 2.560 1
1 214 . 18 1 1 A 29 29 ALA H H 29 8.460 8.267 0.193 1
1 215 . 18 1 1 A 29 29 ALA HA H 29 4.590 5.481 -0.891 1
1 219 . 18 1 1 A 29 29 ALA C C 29 175.800 175.844 -0.044 1
1 220 . 18 1 1 A 29 29 ALA CA C 29 50.400 49.538 0.862 1
1 221 . 18 1 1 A 29 29 ALA CB C 29 20.100 22.571 -2.471 1
1 222 . 18 1 1 A 30 30 PHE H H 30 8.640 8.849 -0.209 1
1 223 . 18 1 1 A 30 30 PHE HA H 30 4.870 4.986 -0.116 1
1 231 . 18 1 1 A 30 30 PHE C C 30 175.800 175.362 0.438 1
1 232 . 18 1 1 A 30 30 PHE CA C 30 57.300 56.328 0.972 1
1 233 . 18 1 1 A 30 30 PHE CB C 30 41.600 42.145 -0.545 1
1 239 . 18 1 1 A 30 30 PHE N N 30 122.100 119.100 3.000 1
1 240 . 18 1 1 A 31 31 GLU H H 31 8.670 8.467 0.203 1
1 241 . 18 1 1 A 31 31 GLU HA H 31 3.530 3.829 -0.299 1
1 246 . 18 1 1 A 31 31 GLU C C 31 174.700 174.946 -0.246 1
1 247 . 18 1 1 A 31 31 GLU CA C 31 57.200 57.291 -0.091 1
1 248 . 18 1 1 A 31 31 GLU CB C 31 27.600 28.117 -0.517 1
1 250 . 18 1 1 A 31 31 GLU N N 31 118.900 118.544 0.356 1
1 251 . 18 1 1 A 32 32 VAL H H 32 9.100 7.561 1.539 1
1 252 . 18 1 1 A 32 32 VAL HA H 32 3.770 4.611 -0.841 1
1 260 . 18 1 1 A 32 32 VAL C C 32 175.400 174.963 0.437 1
1 261 . 18 1 1 A 32 32 VAL CA C 32 62.900 60.318 2.582 1
1 262 . 18 1 1 A 32 32 VAL CB C 32 32.200 33.457 -1.257 1
1 265 . 18 1 1 A 32 32 VAL N N 32 122.300 118.132 4.168 1
1 266 . 18 1 1 A 33 33 LYS H H 33 8.330 8.693 -0.363 1
1 267 . 18 1 1 A 33 33 LYS HA H 33 4.980 4.706 0.274 1
1 276 . 18 1 1 A 33 33 LYS C C 33 176.300 175.681 0.619 1
1 277 . 18 1 1 A 33 33 LYS CA C 33 55.700 56.468 -0.768 1
1 278 . 18 1 1 A 33 33 LYS CB C 33 33.500 32.930 0.570 1
1 282 . 18 1 1 A 33 33 LYS N N 33 128.300 128.100 0.200 1
1 283 . 18 1 1 A 34 34 LEU H H 34 9.140 8.272 0.868 1
1 284 . 18 1 1 A 34 34 LEU HA H 34 4.750 4.948 -0.198 1
1 294 . 18 1 1 A 34 34 LEU C C 34 175.000 176.277 -1.277 1
1 295 . 18 1 1 A 34 34 LEU CA C 34 52.900 53.915 -1.015 1
1 296 . 18 1 1 A 34 34 LEU CB C 34 46.700 45.365 1.335 1
1 300 . 18 1 1 A 34 34 LEU N N 34 126.700 124.471 2.229 1
1 301 . 18 1 1 A 35 35 ALA H H 35 8.650 8.978 -0.328 1
1 302 . 18 1 1 A 35 35 ALA HA H 35 4.100 4.363 -0.263 1
1 306 . 18 1 1 A 35 35 ALA C C 35 178.000 178.006 -0.006 1
1 307 . 18 1 1 A 35 35 ALA CA C 35 52.300 52.789 -0.489 1
1 308 . 18 1 1 A 35 35 ALA CB C 35 19.100 19.152 -0.052 1
1 309 . 18 1 1 A 35 35 ALA N N 35 126.600 128.199 -1.599 1
1 310 . 18 1 1 A 36 36 LYS H H 36 8.230 8.909 -0.679 1
1 311 . 18 1 1 A 36 36 LYS HA H 36 3.710 4.178 -0.468 1
1 320 . 18 1 1 A 36 36 LYS C C 36 176.000 177.339 -1.339 1
1 321 . 18 1 1 A 36 36 LYS CA C 36 59.800 58.243 1.557 1
1 322 . 18 1 1 A 36 36 LYS CB C 36 33.200 32.159 1.041 1
1 326 . 18 1 1 A 36 36 LYS N N 36 119.200 125.910 -6.710 1
1 327 . 18 1 1 A 37 37 ASP H H 37 8.060 7.617 0.443 1
1 328 . 18 1 1 A 37 37 ASP HA H 37 4.470 4.643 -0.173 1
1 331 . 18 1 1 A 37 37 ASP C C 37 176.800 176.355 0.445 1
1 332 . 18 1 1 A 37 37 ASP CA C 37 53.000 54.849 -1.849 1
1 333 . 18 1 1 A 37 37 ASP CB C 37 39.700 40.985 -1.285 1
1 334 . 18 1 1 A 37 37 ASP N N 37 112.700 118.527 -5.827 1
1 335 . 18 1 1 A 38 38 LEU H H 38 7.170 6.974 0.196 1
1 336 . 18 1 1 A 38 38 LEU HA H 38 4.280 4.235 0.045 1
1 346 . 18 1 1 A 38 38 LEU C C 38 177.600 177.202 0.398 1
1 347 . 18 1 1 A 38 38 LEU CA C 38 55.800 54.997 0.803 1
1 348 . 18 1 1 A 38 38 LEU CB C 38 43.900 42.722 1.178 1
1 352 . 18 1 1 A 38 38 LEU N N 38 122.100 122.352 -0.252 1
1 353 . 18 1 1 A 39 39 THR H H 39 8.430 8.609 -0.179 1
1 354 . 18 1 1 A 39 39 THR HA H 39 5.010 4.773 0.237 1
1 360 . 18 1 1 A 39 39 THR C C 39 176.500 176.273 0.227 1
1 361 . 18 1 1 A 39 39 THR CA C 39 60.900 60.442 0.458 1
1 362 . 18 1 1 A 39 39 THR CB C 39 71.200 71.423 -0.223 1
1 364 . 18 1 1 A 39 39 THR N N 39 112.800 114.866 -2.066 1
1 365 . 18 1 1 A 40 40 VAL H H 40 8.740 8.482 0.258 1
1 366 . 18 1 1 A 40 40 VAL HA H 40 3.530 3.699 -0.169 1
1 374 . 18 1 1 A 40 40 VAL C C 40 178.200 177.300 0.900 1
1 375 . 18 1 1 A 40 40 VAL CA C 40 67.300 66.720 0.580 1
1 376 . 18 1 1 A 40 40 VAL CB C 40 31.600 31.740 -0.140 1
1 379 . 18 1 1 A 40 40 VAL N N 40 123.600 122.306 1.294 1
1 380 . 18 1 1 A 41 41 ALA H H 41 8.520 8.232 0.288 1
1 381 . 18 1 1 A 41 41 ALA HA H 41 3.950 3.955 -0.005 1
1 385 . 18 1 1 A 41 41 ALA C C 41 180.700 180.002 0.698 1
1 386 . 18 1 1 A 41 41 ALA CA C 41 56.100 55.890 0.210 1
1 387 . 18 1 1 A 41 41 ALA CB C 41 18.800 18.693 0.107 1
1 388 . 18 1 1 A 41 41 ALA N N 41 121.400 122.250 -0.850 1
1 389 . 18 1 1 A 42 42 GLN H H 42 7.740 7.789 -0.049 1
1 390 . 18 1 1 A 42 42 GLN HA H 42 4.060 4.045 0.015 1
1 397 . 18 1 1 A 42 42 GLN C C 42 180.300 178.682 1.618 1
1 398 . 18 1 1 A 42 42 GLN CA C 42 58.600 58.817 -0.217 1
1 399 . 18 1 1 A 42 42 GLN CB C 42 29.200 28.549 0.651 1
1 402 . 18 1 1 A 42 42 GLN N N 42 117.500 117.962 -0.462 1
1 404 . 18 1 1 A 43 43 LEU H H 43 9.210 8.047 1.163 1
1 405 . 18 1 1 A 43 43 LEU HA H 43 3.940 4.122 -0.182 1
1 415 . 18 1 1 A 43 43 LEU C C 43 178.300 178.750 -0.450 1
1 416 . 18 1 1 A 43 43 LEU CA C 43 57.900 57.734 0.166 1
1 417 . 18 1 1 A 43 43 LEU CB C 43 41.300 41.723 -0.423 1
1 421 . 18 1 1 A 43 43 LEU N N 43 123.000 121.908 1.092 1
1 422 . 18 1 1 A 44 44 LYS H H 44 8.740 8.026 0.714 1
1 423 . 18 1 1 A 44 44 LYS HA H 44 3.860 3.952 -0.092 1
1 432 . 18 1 1 A 44 44 LYS C C 44 178.300 179.159 -0.859 1
1 433 . 18 1 1 A 44 44 LYS CA C 44 61.100 59.407 1.693 1
1 434 . 18 1 1 A 44 44 LYS CB C 44 32.800 32.275 0.525 1
1 438 . 18 1 1 A 44 44 LYS N N 44 119.300 118.858 0.442 1
1 439 . 18 1 1 A 45 45 THR H H 45 7.440 7.821 -0.381 1
1 440 . 18 1 1 A 45 45 THR HA H 45 3.930 3.883 0.047 1
1 445 . 18 1 1 A 45 45 THR C C 45 176.700 176.072 0.628 1
1 446 . 18 1 1 A 45 45 THR CA C 45 67.100 67.209 -0.109 1
1 447 . 18 1 1 A 45 45 THR CB C 45 68.800 68.290 0.510 1
1 449 . 18 1 1 A 45 45 THR N N 45 114.000 118.172 -4.172 1
1 450 . 18 1 1 A 46 46 LYS H H 46 7.500 7.988 -0.488 1
1 451 . 18 1 1 A 46 46 LYS HA H 46 4.100 4.046 0.054 1
1 460 . 18 1 1 A 46 46 LYS C C 46 179.700 178.896 0.804 1
1 461 . 18 1 1 A 46 46 LYS CA C 46 59.400 59.503 -0.103 1
1 462 . 18 1 1 A 46 46 LYS CB C 46 32.100 31.648 0.452 1
1 466 . 18 1 1 A 46 46 LYS N N 46 121.700 121.469 0.231 1
1 467 . 18 1 1 A 47 47 LEU H H 47 9.010 8.421 0.589 1
1 468 . 18 1 1 A 47 47 LEU HA H 47 4.040 3.935 0.105 1
1 478 . 18 1 1 A 47 47 LEU C C 47 180.000 178.709 1.291 1
1 479 . 18 1 1 A 47 47 LEU CA C 47 57.200 58.022 -0.822 1
1 480 . 18 1 1 A 47 47 LEU CB C 47 40.700 41.281 -0.581 1
1 484 . 18 1 1 A 47 47 LEU N N 47 118.000 119.360 -1.360 1
1 485 . 18 1 1 A 48 48 GLU H H 48 8.450 8.754 -0.304 1
1 486 . 18 1 1 A 48 48 GLU HA H 48 4.050 3.977 0.073 1
1 491 . 18 1 1 A 48 48 GLU C C 48 178.800 179.332 -0.532 1
1 492 . 18 1 1 A 48 48 GLU CA C 48 59.700 59.529 0.171 1
1 493 . 18 1 1 A 48 48 GLU CB C 48 29.400 29.482 -0.082 1
1 495 . 18 1 1 A 48 48 GLU N N 48 126.300 120.003 6.297 1
1 496 . 18 1 1 A 49 49 ILE H H 49 7.180 7.676 -0.496 1
1 497 . 18 1 1 A 49 49 ILE HA H 49 3.780 3.670 0.110 1
1 507 . 18 1 1 A 49 49 ILE C C 49 178.000 178.143 -0.143 1
1 508 . 18 1 1 A 49 49 ILE CA C 49 64.000 65.308 -1.308 1
1 509 . 18 1 1 A 49 49 ILE CB C 49 38.100 37.790 0.310 1
1 513 . 18 1 1 A 49 49 ILE N N 49 119.600 119.578 0.022 1
1 514 . 18 1 1 A 50 50 LEU H H 50 7.520 7.813 -0.293 1
1 515 . 18 1 1 A 50 50 LEU HA H 50 4.160 3.949 0.211 1
1 525 . 18 1 1 A 50 50 LEU C C 50 178.400 178.670 -0.270 1
1 526 . 18 1 1 A 50 50 LEU CA C 50 57.500 58.100 -0.600 1
1 527 . 18 1 1 A 50 50 LEU CB C 50 44.300 41.767 2.533 1
1 531 . 18 1 1 A 50 50 LEU N N 50 116.800 121.433 -4.633 1
1 532 . 18 1 1 A 51 51 THR H H 51 8.160 8.148 0.012 1
1 533 . 18 1 1 A 51 51 THR HA H 51 4.490 4.393 0.097 1
1 538 . 18 1 1 A 51 51 THR C C 51 175.600 176.256 -0.656 1
1 539 . 18 1 1 A 51 51 THR CA C 51 62.400 62.346 0.054 1
1 540 . 18 1 1 A 51 51 THR CB C 51 72.900 70.615 2.285 1
1 542 . 18 1 1 A 51 51 THR N N 51 104.100 107.186 -3.086 1
1 543 . 18 1 1 A 52 52 GLY H H 52 8.080 8.165 -0.085 1
1 544 . 18 1 1 A 52 52 GLY HA2 H 52 3.830 3.933 -0.103 1
1 545 . 18 1 1 A 52 52 GLY HA3 H 52 4.250 3.933 0.317 1
1 546 . 18 1 1 A 52 52 GLY C C 52 174.800 174.490 0.310 1
1 547 . 18 1 1 A 52 52 GLY CA C 52 45.500 45.566 -0.066 1
1 548 . 18 1 1 A 52 52 GLY N N 52 112.100 112.016 0.084 1
1 549 . 18 1 1 A 53 53 GLY H H 53 7.880 8.003 -0.123 1
1 550 . 18 1 1 A 53 53 GLY HA2 H 53 3.220 4.029 -0.809 1
1 551 . 18 1 1 A 53 53 GLY HA3 H 53 4.040 4.033 0.007 1
1 552 . 18 1 1 A 53 53 GLY C C 53 170.900 172.374 -1.474 1
1 553 . 18 1 1 A 53 53 GLY CA C 53 44.300 44.763 -0.463 1
1 554 . 18 1 1 A 53 53 GLY N N 53 107.000 107.108 -0.108 1
1 555 . 18 1 1 A 54 54 CYS H H 54 8.690 8.421 0.269 1
1 556 . 18 1 1 A 54 54 CYS HA H 54 4.430 4.604 -0.174 1
1 559 . 18 1 1 A 54 54 CYS C C 54 176.100 176.021 0.079 1
1 560 . 18 1 1 A 54 54 CYS CA C 54 57.900 58.457 -0.557 1
1 561 . 18 1 1 A 54 54 CYS CB C 54 27.800 29.033 -1.233 1
1 562 . 18 1 1 A 54 54 CYS N N 54 120.200 118.596 1.604 1
1 563 . 18 1 1 A 55 55 ALA H H 55 10.100 9.095 1.005 1
1 564 . 18 1 1 A 55 55 ALA HA H 55 3.890 3.923 -0.033 1
1 568 . 18 1 1 A 55 55 ALA C C 55 178.900 179.585 -0.685 1
1 569 . 18 1 1 A 55 55 ALA CA C 55 55.700 55.109 0.591 1
1 570 . 18 1 1 A 55 55 ALA CB C 55 18.500 18.424 0.076 1
1 571 . 18 1 1 A 55 55 ALA N N 55 133.900 130.211 3.689 1
1 572 . 18 1 1 A 56 56 GLY H H 56 8.380 7.855 0.525 1
1 573 . 18 1 1 A 56 56 GLY HA2 H 56 3.910 3.720 0.190 1
1 574 . 18 1 1 A 56 56 GLY HA3 H 56 3.910 3.721 0.189 1
1 575 . 18 1 1 A 56 56 GLY C C 56 174.600 175.445 -0.845 1
1 576 . 18 1 1 A 56 56 GLY CA C 56 45.900 47.047 -1.147 1
1 577 . 18 1 1 A 56 56 GLY N N 56 104.300 105.242 -0.942 1
1 578 . 18 1 1 A 57 57 THR H H 57 7.310 7.540 -0.230 1
1 579 . 18 1 1 A 57 57 THR HA H 57 4.520 4.335 0.185 1
1 584 . 18 1 1 A 57 57 THR C C 57 175.500 174.344 1.156 1
1 585 . 18 1 1 A 57 57 THR CA C 57 61.400 62.286 -0.886 1
1 586 . 18 1 1 A 57 57 THR CB C 57 69.900 69.753 0.147 1
1 588 . 18 1 1 A 57 57 THR N N 57 107.700 110.380 -2.680 1
1 589 . 18 1 1 A 58 58 MET H H 58 7.910 7.714 0.196 1
1 590 . 18 1 1 A 58 58 MET HA H 58 4.540 4.708 -0.168 1
1 598 . 18 1 1 A 58 58 MET C C 58 175.100 174.890 0.210 1
1 599 . 18 1 1 A 58 58 MET CA C 58 56.900 54.475 2.425 1
1 600 . 18 1 1 A 58 58 MET CB C 58 33.700 34.037 -0.337 1
1 603 . 18 1 1 A 58 58 MET N N 58 120.700 122.731 -2.031 1
1 604 . 18 1 1 A 59 59 LYS H H 59 8.780 8.693 0.087 1
1 605 . 18 1 1 A 59 59 LYS HA H 59 4.610 4.960 -0.350 1
1 614 . 18 1 1 A 59 59 LYS C C 59 174.500 175.077 -0.577 1
1 615 . 18 1 1 A 59 59 LYS CA C 59 54.500 54.675 -0.175 1
1 616 . 18 1 1 A 59 59 LYS CB C 59 34.700 35.840 -1.140 1
1 620 . 18 1 1 A 59 59 LYS N N 59 122.400 126.021 -3.621 1
1 621 . 18 1 1 A 60 60 VAL H H 60 8.740 8.560 0.180 1
1 622 . 18 1 1 A 60 60 VAL HA H 60 4.700 4.945 -0.245 1
1 630 . 18 1 1 A 60 60 VAL C C 60 175.000 175.115 -0.115 1
1 631 . 18 1 1 A 60 60 VAL CA C 60 61.300 60.799 0.501 1
1 632 . 18 1 1 A 60 60 VAL CB C 60 33.400 34.023 -0.623 1
1 635 . 18 1 1 A 60 60 VAL N N 60 122.100 121.680 0.420 1
1 636 . 18 1 1 A 61 61 GLN H H 61 9.250 8.602 0.648 1
1 637 . 18 1 1 A 61 61 GLN HA H 61 4.790 4.911 -0.121 1
1 644 . 18 1 1 A 61 61 GLN C C 61 174.700 174.327 0.373 1
1 645 . 18 1 1 A 61 61 GLN CA C 61 54.200 54.115 0.085 1
1 646 . 18 1 1 A 61 61 GLN CB C 61 32.800 32.854 -0.054 1
1 649 . 18 1 1 A 61 61 GLN N N 61 126.400 125.566 0.834 1
1 651 . 18 1 1 A 62 62 VAL H H 62 8.690 8.226 0.464 1
1 652 . 18 1 1 A 62 62 VAL HA H 62 4.650 4.661 -0.011 1
1 660 . 18 1 1 A 62 62 VAL C C 62 174.700 174.883 -0.183 1
1 661 . 18 1 1 A 62 62 VAL CA C 62 61.800 61.342 0.458 1
1 662 . 18 1 1 A 62 62 VAL CB C 62 32.500 32.580 -0.080 1
1 665 . 18 1 1 A 62 62 VAL N N 62 121.700 122.446 -0.746 1
1 666 . 18 1 1 A 63 63 PHE H H 63 10.020 9.151 0.869 1
1 667 . 18 1 1 A 63 63 PHE HA H 63 5.170 5.234 -0.064 1
1 675 . 18 1 1 A 63 63 PHE C C 63 175.100 174.359 0.741 1
1 676 . 18 1 1 A 63 63 PHE CA C 63 56.800 55.814 0.986 1
1 677 . 18 1 1 A 63 63 PHE CB C 63 42.900 42.766 0.134 1
1 683 . 18 1 1 A 63 63 PHE N N 63 127.100 125.895 1.205 1
1 684 . 18 1 1 A 64 64 LYS H H 64 8.710 8.489 0.221 1
1 685 . 18 1 1 A 64 64 LYS HA H 64 4.650 4.685 -0.035 1
1 694 . 18 1 1 A 64 64 LYS C C 64 176.900 176.619 0.281 1
1 695 . 18 1 1 A 64 64 LYS CA C 64 55.100 55.225 -0.125 1
1 696 . 18 1 1 A 64 64 LYS CB C 64 34.100 33.980 0.120 1
1 700 . 18 1 1 A 64 64 LYS N N 64 123.900 123.562 0.338 1
1 701 . 18 1 1 A 65 65 GLY H H 65 9.160 9.025 0.135 1
1 702 . 18 1 1 A 65 65 GLY HA2 H 65 3.680 3.883 -0.203 1
1 703 . 18 1 1 A 65 65 GLY HA3 H 65 4.050 3.887 0.163 1
1 704 . 18 1 1 A 65 65 GLY C C 65 174.600 174.363 0.237 1
1 705 . 18 1 1 A 65 65 GLY CA C 65 47.200 47.314 -0.114 1
1 706 . 18 1 1 A 65 65 GLY N N 65 118.800 116.352 2.448 1
1 707 . 18 1 1 A 66 66 ASP H H 66 8.760 8.845 -0.085 1
1 708 . 18 1 1 A 66 66 ASP HA H 66 4.700 4.880 -0.180 1
1 711 . 18 1 1 A 66 66 ASP C C 66 176.000 175.301 0.699 1
1 712 . 18 1 1 A 66 66 ASP CA C 66 54.300 53.870 0.430 1
1 713 . 18 1 1 A 66 66 ASP CB C 66 41.300 42.584 -1.284 1
1 714 . 18 1 1 A 66 66 ASP N N 66 126.400 126.397 0.003 1
1 715 . 18 1 1 A 67 67 THR H H 67 8.020 7.051 0.969 1
1 716 . 18 1 1 A 67 67 THR HA H 67 4.300 4.826 -0.526 1
1 721 . 18 1 1 A 67 67 THR C C 67 172.100 173.370 -1.270 1
1 722 . 18 1 1 A 67 67 THR CA C 67 62.400 61.160 1.240 1
1 723 . 18 1 1 A 67 67 THR CB C 67 70.700 71.244 -0.544 1
1 725 . 18 1 1 A 67 67 THR N N 67 117.500 113.144 4.356 1
1 726 . 18 1 1 A 68 68 CYS H H 68 8.940 8.636 0.304 1
1 727 . 18 1 1 A 68 68 CYS HA H 68 3.400 4.281 -0.881 1
1 730 . 18 1 1 A 68 68 CYS C C 68 174.900 175.748 -0.848 1
1 731 . 18 1 1 A 68 68 CYS CA C 68 58.700 59.033 -0.333 1
1 732 . 18 1 1 A 68 68 CYS CB C 68 25.600 28.060 -2.460 1
1 733 . 18 1 1 A 68 68 CYS N N 68 129.500 124.619 4.881 1
1 734 . 18 1 1 A 69 69 VAL H H 69 9.090 8.226 0.864 1
1 735 . 18 1 1 A 69 69 VAL HA H 69 4.150 3.831 0.319 1
1 743 . 18 1 1 A 69 69 VAL C C 69 176.300 176.126 0.174 1
1 744 . 18 1 1 A 69 69 VAL CA C 69 62.900 64.393 -1.493 1
1 745 . 18 1 1 A 69 69 VAL CB C 69 32.800 32.057 0.743 1
1 748 . 18 1 1 A 69 69 VAL N N 69 127.500 128.923 -1.423 1
1 749 . 18 1 1 A 70 70 SER H H 70 7.640 7.533 0.107 1
1 750 . 18 1 1 A 70 70 SER HA H 70 4.550 4.608 -0.058 1
1 753 . 18 1 1 A 70 70 SER C C 70 172.300 171.640 0.660 1
1 754 . 18 1 1 A 70 70 SER CA C 70 58.700 57.584 1.116 1
1 755 . 18 1 1 A 70 70 SER CB C 70 65.100 65.249 -0.149 1
1 756 . 18 1 1 A 70 70 SER N N 70 113.400 110.544 2.856 1
1 757 . 18 1 1 A 71 71 THR H H 71 8.220 8.532 -0.312 1
1 758 . 18 1 1 A 71 71 THR HA H 71 4.580 4.679 -0.099 1
1 763 . 18 1 1 A 71 71 THR C C 71 174.000 174.328 -0.328 1
1 764 . 18 1 1 A 71 71 THR CA C 71 61.800 61.178 0.622 1
1 765 . 18 1 1 A 71 71 THR CB C 71 70.500 70.731 -0.231 1
1 767 . 18 1 1 A 71 71 THR N N 71 114.500 115.627 -1.127 1
1 768 . 18 1 1 A 72 72 MET H H 72 8.260 8.800 -0.540 1
1 769 . 18 1 1 A 72 72 MET HA H 72 2.990 3.956 -0.966 1
1 777 . 18 1 1 A 72 72 MET C C 72 175.700 175.848 -0.148 1
1 778 . 18 1 1 A 72 72 MET CA C 72 55.100 54.003 1.097 1
1 779 . 18 1 1 A 72 72 MET CB C 72 30.200 30.643 -0.443 1
1 782 . 18 1 1 A 72 72 MET N N 72 121.800 125.642 -3.842 1
1 783 . 18 1 1 A 73 73 ASP H H 73 7.830 8.963 -1.133 1
1 784 . 18 1 1 A 73 73 ASP HA H 73 4.370 4.697 -0.327 1
1 787 . 18 1 1 A 73 73 ASP C C 73 175.100 175.862 -0.762 1
1 788 . 18 1 1 A 73 73 ASP CA C 73 55.800 55.178 0.622 1
1 789 . 18 1 1 A 73 73 ASP CB C 73 41.800 42.024 -0.224 1
1 790 . 18 1 1 A 73 73 ASP N N 73 125.100 125.618 -0.518 1
1 791 . 18 1 1 A 74 74 ASN H H 74 7.480 7.482 -0.002 1
1 792 . 18 1 1 A 74 74 ASN HA H 74 4.890 4.936 -0.046 1
1 797 . 18 1 1 A 74 74 ASN C C 74 175.800 176.111 -0.311 1
1 798 . 18 1 1 A 74 74 ASN CA C 74 51.600 53.177 -1.577 1
1 799 . 18 1 1 A 74 74 ASN CB C 74 38.800 38.676 0.124 1
1 801 . 18 1 1 A 74 74 ASN N N 74 116.400 117.396 -0.996 1
1 803 . 18 1 1 A 75 75 ASN H H 75 8.870 9.013 -0.143 1
1 804 . 18 1 1 A 75 75 ASN HA H 75 4.390 4.597 -0.207 1
1 809 . 18 1 1 A 75 75 ASN C C 75 175.700 175.410 0.290 1
1 810 . 18 1 1 A 75 75 ASN CA C 75 55.600 54.916 0.684 1
1 811 . 18 1 1 A 75 75 ASN CB C 75 39.200 37.505 1.695 1
1 813 . 18 1 1 A 75 75 ASN N N 75 123.600 122.947 0.653 1
1 815 . 18 1 1 A 76 76 ASP H H 76 8.060 7.854 0.206 1
1 816 . 18 1 1 A 76 76 ASP HA H 76 4.750 4.725 0.025 1
1 819 . 18 1 1 A 76 76 ASP C C 76 176.200 176.145 0.055 1
1 820 . 18 1 1 A 76 76 ASP CA C 76 54.200 54.319 -0.119 1
1 821 . 18 1 1 A 76 76 ASP CB C 76 41.700 41.533 0.167 1
1 822 . 18 1 1 A 76 76 ASP N N 76 115.100 118.142 -3.042 1
1 823 . 18 1 1 A 77 77 ALA H H 77 7.140 7.170 -0.030 1
1 824 . 18 1 1 A 77 77 ALA HA H 77 4.160 4.206 -0.046 1
1 828 . 18 1 1 A 77 77 ALA C C 77 176.100 177.131 -1.031 1
1 829 . 18 1 1 A 77 77 ALA CA C 77 51.400 51.956 -0.556 1
1 830 . 18 1 1 A 77 77 ALA CB C 77 20.100 20.018 0.082 1
1 831 . 18 1 1 A 77 77 ALA N N 77 122.600 123.092 -0.492 1
1 832 . 18 1 1 A 78 78 GLN H H 78 8.090 8.926 -0.836 1
1 833 . 18 1 1 A 78 78 GLN HA H 78 4.750 4.496 0.254 1
1 840 . 18 1 1 A 78 78 GLN C C 78 177.900 177.681 0.219 1
1 841 . 18 1 1 A 78 78 GLN CA C 78 55.200 55.059 0.141 1
1 842 . 18 1 1 A 78 78 GLN CB C 78 29.500 29.634 -0.134 1
1 845 . 18 1 1 A 78 78 GLN N N 78 116.500 120.371 -3.871 1
1 847 . 18 1 1 A 79 79 LEU H H 79 9.380 9.190 0.190 1
1 848 . 18 1 1 A 79 79 LEU HA H 79 4.060 4.197 -0.137 1
1 858 . 18 1 1 A 79 79 LEU C C 79 179.200 179.147 0.053 1
1 859 . 18 1 1 A 79 79 LEU CA C 79 58.900 58.025 0.875 1
1 860 . 18 1 1 A 79 79 LEU CB C 79 42.000 41.557 0.443 1
1 864 . 18 1 1 A 79 79 LEU N N 79 123.800 126.334 -2.534 1
1 865 . 18 1 1 A 80 80 GLY H H 80 9.130 7.903 1.227 1
1 866 . 18 1 1 A 80 80 GLY HA2 H 80 3.750 3.774 -0.024 1
1 867 . 18 1 1 A 80 80 GLY HA3 H 80 4.160 3.784 0.376 1
1 868 . 18 1 1 A 80 80 GLY C C 80 174.100 175.359 -1.259 1
1 869 . 18 1 1 A 80 80 GLY CA C 80 45.600 46.976 -1.376 1
1 870 . 18 1 1 A 80 80 GLY N N 80 104.000 106.463 -2.463 1
1 871 . 18 1 1 A 81 81 TYR H H 81 7.900 8.163 -0.263 1
1 872 . 18 1 1 A 81 81 TYR HA H 81 4.000 3.972 0.028 1
1 879 . 18 1 1 A 81 81 TYR C C 81 176.300 176.820 -0.520 1
1 880 . 18 1 1 A 81 81 TYR CA C 81 60.600 60.960 -0.360 1
1 881 . 18 1 1 A 81 81 TYR CB C 81 38.700 38.506 0.194 1
1 886 . 18 1 1 A 81 81 TYR N N 81 120.300 123.497 -3.197 1
1 887 . 18 1 1 A 82 82 TYR H H 82 7.430 7.924 -0.494 1
1 888 . 18 1 1 A 82 82 TYR HA H 82 4.340 4.278 0.062 1
1 895 . 18 1 1 A 82 82 TYR C C 82 175.500 175.783 -0.283 1
1 896 . 18 1 1 A 82 82 TYR CA C 82 58.700 60.366 -1.666 1
1 897 . 18 1 1 A 82 82 TYR CB C 82 41.500 39.585 1.915 1
1 902 . 18 1 1 A 82 82 TYR N N 82 114.000 115.843 -1.843 1
1 903 . 18 1 1 A 83 83 ALA H H 83 8.430 7.743 0.687 1
1 904 . 18 1 1 A 83 83 ALA HA H 83 4.380 4.648 -0.268 1
1 908 . 18 1 1 A 83 83 ALA C C 83 173.400 177.101 -3.701 1
1 909 . 18 1 1 A 83 83 ALA CA C 83 51.000 50.377 0.623 1
1 910 . 18 1 1 A 83 83 ALA CB C 83 19.500 21.362 -1.862 1
1 911 . 18 1 1 A 83 83 ALA N N 83 122.900 121.160 1.740 1
1 912 . 18 1 1 A 84 84 ASN H H 84 8.050 8.690 -0.640 1
1 913 . 18 1 1 A 84 84 ASN HA H 84 4.760 5.026 -0.266 1
1 918 . 18 1 1 A 84 84 ASN C C 84 174.600 174.087 0.513 1
1 919 . 18 1 1 A 84 84 ASN CA C 84 52.200 52.317 -0.117 1
1 920 . 18 1 1 A 84 84 ASN CB C 84 39.300 39.987 -0.687 1
1 922 . 18 1 1 A 84 84 ASN N N 84 117.300 121.819 -4.519 1
1 924 . 18 1 1 A 85 85 SER H H 85 7.180 7.792 -0.612 1
1 925 . 18 1 1 A 85 85 SER HA H 85 4.670 4.742 -0.072 1
1 928 . 18 1 1 A 85 85 SER C C 85 172.000 172.078 -0.078 1
1 929 . 18 1 1 A 85 85 SER CA C 85 56.900 56.897 0.003 1
1 930 . 18 1 1 A 85 85 SER CB C 85 66.000 65.721 0.279 1
1 931 . 18 1 1 A 85 85 SER N N 85 112.200 114.192 -1.992 1
1 932 . 18 1 1 A 86 86 ASP H H 86 8.320 8.803 -0.483 1
1 933 . 18 1 1 A 86 86 ASP HA H 86 4.920 4.788 0.132 1
1 936 . 18 1 1 A 86 86 ASP C C 86 178.100 176.727 1.373 1
1 937 . 18 1 1 A 86 86 ASP CA C 86 55.000 53.642 1.358 1
1 938 . 18 1 1 A 86 86 ASP CB C 86 42.000 41.736 0.264 1
1 939 . 18 1 1 A 86 86 ASP N N 86 119.100 124.355 -5.255 1
1 940 . 18 1 1 A 87 87 GLY H H 87 8.910 8.606 0.304 1
1 941 . 18 1 1 A 87 87 GLY HA2 H 87 3.850 3.965 -0.115 1
1 942 . 18 1 1 A 87 87 GLY HA3 H 87 4.110 3.973 0.137 1
1 943 . 18 1 1 A 87 87 GLY C C 87 175.400 174.302 1.098 1
1 944 . 18 1 1 A 87 87 GLY CA C 87 46.100 45.074 1.026 1
1 945 . 18 1 1 A 87 87 GLY N N 87 107.900 110.560 -2.660 1
1 946 . 18 1 1 A 88 88 LEU H H 88 8.290 7.781 0.509 1
1 947 . 18 1 1 A 88 88 LEU HA H 88 4.740 4.442 0.298 1
1 957 . 18 1 1 A 88 88 LEU C C 88 175.000 176.027 -1.027 1
1 958 . 18 1 1 A 88 88 LEU CA C 88 54.500 54.699 -0.199 1
1 959 . 18 1 1 A 88 88 LEU CB C 88 43.200 42.619 0.581 1
1 963 . 18 1 1 A 88 88 LEU N N 88 120.300 122.984 -2.684 1
1 964 . 18 1 1 A 89 89 ARG H H 89 8.880 8.513 0.367 1
1 965 . 18 1 1 A 89 89 ARG HA H 89 5.300 5.353 -0.053 1
1 973 . 18 1 1 A 89 89 ARG C C 89 174.900 174.470 0.430 1
1 974 . 18 1 1 A 89 89 ARG CA C 89 53.600 54.549 -0.949 1
1 975 . 18 1 1 A 89 89 ARG CB C 89 34.300 33.689 0.611 1
1 979 . 18 1 1 A 89 89 ARG N N 89 121.200 122.960 -1.760 1
1 981 . 18 1 1 A 90 90 LEU H H 90 9.250 9.377 -0.127 1
1 982 . 18 1 1 A 90 90 LEU HA H 90 5.270 5.178 0.092 1
1 992 . 18 1 1 A 90 90 LEU C C 90 173.700 175.430 -1.730 1
1 993 . 18 1 1 A 90 90 LEU CA C 90 52.900 53.394 -0.494 1
1 994 . 18 1 1 A 90 90 LEU CB C 90 42.000 42.992 -0.992 1
1 998 . 18 1 1 A 90 90 LEU N N 90 125.500 128.324 -2.824 1
1 999 . 18 1 1 A 91 91 HIS H H 91 9.600 8.989 0.611 1
1 1000 . 18 1 1 A 91 91 HIS HA H 91 5.280 5.264 0.016 1
1 1005 . 18 1 1 A 91 91 HIS C C 91 174.300 173.491 0.809 1
1 1006 . 18 1 1 A 91 91 HIS CA C 91 54.500 54.196 0.304 1
1 1007 . 18 1 1 A 91 91 HIS CB C 91 35.200 32.794 2.406 1
1 1010 . 18 1 1 A 91 91 HIS N N 91 124.800 125.063 -0.263 1
1 1013 . 18 1 1 A 92 92 VAL H H 92 8.300 8.591 -0.291 1
1 1014 . 18 1 1 A 92 92 VAL HA H 92 4.110 4.430 -0.320 1
1 1022 . 18 1 1 A 92 92 VAL C C 92 174.200 174.649 -0.449 1
1 1023 . 18 1 1 A 92 92 VAL CA C 92 62.900 61.239 1.661 1
1 1024 . 18 1 1 A 92 92 VAL CB C 92 32.600 33.105 -0.505 1
1 1027 . 18 1 1 A 92 92 VAL N N 92 128.400 127.169 1.231 1
1 1028 . 18 1 1 A 93 93 VAL H H 93 8.950 8.897 0.053 1
1 1029 . 18 1 1 A 93 93 VAL HA H 93 4.170 4.587 -0.417 1
1 1037 . 18 1 1 A 93 93 VAL C C 93 175.600 173.705 1.895 1
1 1038 . 18 1 1 A 93 93 VAL CA C 93 61.100 61.308 -0.208 1
1 1039 . 18 1 1 A 93 93 VAL CB C 93 33.300 32.687 0.613 1
1 1042 . 18 1 1 A 93 93 VAL N N 93 127.800 128.115 -0.315 1
1 1043 . 18 1 1 A 94 94 ASP H H 94 8.280 9.146 -0.866 1
1 1044 . 18 1 1 A 94 94 ASP HA H 94 4.850 4.916 -0.066 1
1 1047 . 18 1 1 A 94 94 ASP C C 94 174.700 174.679 0.021 1
1 1048 . 18 1 1 A 94 94 ASP CA C 94 53.800 53.056 0.744 1
1 1049 . 18 1 1 A 94 94 ASP CB C 94 42.500 41.671 0.829 1
1 1050 . 18 1 1 A 94 94 ASP N N 94 127.100 129.476 -2.376 1
1 1 . 19 1 1 A 11 11 GLY C C 11 174.100 171.622 2.478 1
1 2 . 19 1 1 A 11 11 GLY CA C 11 45.300 45.733 -0.433 1
1 3 . 19 1 1 A 12 12 LYS H H 12 8.180 8.291 -0.111 1
1 4 . 19 1 1 A 12 12 LYS HA H 12 4.320 4.193 0.127 1
1 13 . 19 1 1 A 12 12 LYS C C 12 176.700 177.276 -0.576 1
1 14 . 19 1 1 A 12 12 LYS CA C 12 56.400 55.462 0.938 1
1 15 . 19 1 1 A 12 12 LYS CB C 12 33.200 33.045 0.155 1
1 19 . 19 1 1 A 12 12 LYS N N 12 120.600 122.003 -1.403 1
1 20 . 19 1 1 A 13 13 SER H H 13 8.360 8.576 -0.216 1
1 21 . 19 1 1 A 13 13 SER HA H 13 4.450 4.562 -0.112 1
1 24 . 19 1 1 A 13 13 SER C C 13 173.800 173.519 0.281 1
1 25 . 19 1 1 A 13 13 SER CA C 13 58.000 58.755 -0.755 1
1 26 . 19 1 1 A 13 13 SER CB C 13 63.900 64.126 -0.226 1
1 27 . 19 1 1 A 13 13 SER N N 13 116.300 117.882 -1.582 1
1 28 . 19 1 1 A 14 14 ASP H H 14 8.450 8.304 0.146 1
1 29 . 19 1 1 A 14 14 ASP HA H 14 4.670 5.064 -0.394 1
1 32 . 19 1 1 A 14 14 ASP C C 14 175.100 174.429 0.671 1
1 33 . 19 1 1 A 14 14 ASP CA C 14 54.400 53.951 0.449 1
1 34 . 19 1 1 A 14 14 ASP CB C 14 41.500 42.796 -1.296 1
1 35 . 19 1 1 A 14 14 ASP N N 14 122.400 123.658 -1.258 1
1 36 . 19 1 1 A 15 15 PHE H H 15 8.110 9.121 -1.011 1
1 37 . 19 1 1 A 15 15 PHE HA H 15 5.290 5.257 0.033 1
1 45 . 19 1 1 A 15 15 PHE C C 15 175.000 175.031 -0.031 1
1 46 . 19 1 1 A 15 15 PHE CA C 15 56.600 55.890 0.710 1
1 47 . 19 1 1 A 15 15 PHE CB C 15 42.600 42.816 -0.216 1
1 53 . 19 1 1 A 15 15 PHE N N 15 118.500 125.138 -6.638 1
1 54 . 19 1 1 A 16 16 ILE H H 16 9.160 8.970 0.190 1
1 55 . 19 1 1 A 16 16 ILE HA H 16 4.710 5.069 -0.359 1
1 65 . 19 1 1 A 16 16 ILE C C 16 173.400 174.361 -0.961 1
1 66 . 19 1 1 A 16 16 ILE CA C 16 59.300 58.990 0.310 1
1 67 . 19 1 1 A 16 16 ILE CB C 16 42.100 42.197 -0.097 1
1 71 . 19 1 1 A 16 16 ILE N N 16 116.700 116.979 -0.279 1
1 72 . 19 1 1 A 17 17 LYS H H 17 8.530 8.789 -0.259 1
1 73 . 19 1 1 A 17 17 LYS HA H 17 5.220 5.063 0.157 1
1 82 . 19 1 1 A 17 17 LYS C C 17 176.400 175.937 0.463 1
1 83 . 19 1 1 A 17 17 LYS CA C 17 54.900 55.533 -0.633 1
1 84 . 19 1 1 A 17 17 LYS CB C 17 34.100 33.960 0.140 1
1 88 . 19 1 1 A 17 17 LYS N N 17 123.200 122.510 0.690 1
1 89 . 19 1 1 A 18 18 VAL H H 18 8.900 8.967 -0.067 1
1 90 . 19 1 1 A 18 18 VAL HA H 18 4.990 4.984 0.006 1
1 98 . 19 1 1 A 18 18 VAL C C 18 174.300 174.245 0.055 1
1 99 . 19 1 1 A 18 18 VAL CA C 18 58.600 58.658 -0.058 1
1 100 . 19 1 1 A 18 18 VAL CB C 18 35.600 36.029 -0.429 1
1 103 . 19 1 1 A 18 18 VAL N N 18 117.500 117.745 -0.245 1
1 104 . 19 1 1 A 19 19 ASN H H 19 7.830 8.469 -0.639 1
1 105 . 19 1 1 A 19 19 ASN HA H 19 5.780 5.516 0.264 1
1 110 . 19 1 1 A 19 19 ASN C C 19 175.300 174.307 0.993 1
1 111 . 19 1 1 A 19 19 ASN CA C 19 51.000 52.066 -1.066 1
1 112 . 19 1 1 A 19 19 ASN CB C 19 39.500 40.639 -1.139 1
1 114 . 19 1 1 A 19 19 ASN N N 19 117.700 119.536 -1.836 1
1 116 . 19 1 1 A 20 20 VAL H H 20 9.140 8.148 0.992 1
1 117 . 19 1 1 A 20 20 VAL HA H 20 5.480 4.832 0.648 1
1 125 . 19 1 1 A 20 20 VAL C C 20 174.900 174.543 0.357 1
1 126 . 19 1 1 A 20 20 VAL CA C 20 61.100 60.582 0.518 1
1 127 . 19 1 1 A 20 20 VAL CB C 20 35.000 34.479 0.521 1
1 130 . 19 1 1 A 20 20 VAL N N 20 120.600 123.480 -2.880 1
1 131 . 19 1 1 A 21 21 SER H H 21 9.700 8.563 1.137 1
1 132 . 19 1 1 A 21 21 SER HA H 21 4.930 5.382 -0.452 1
1 135 . 19 1 1 A 21 21 SER C C 21 172.900 172.564 0.336 1
1 136 . 19 1 1 A 21 21 SER CA C 21 57.300 57.044 0.256 1
1 137 . 19 1 1 A 21 21 SER CB C 21 66.900 66.083 0.817 1
1 138 . 19 1 1 A 21 21 SER N N 21 125.600 122.591 3.009 1
1 139 . 19 1 1 A 22 22 ASN H H 22 9.800 8.738 1.062 1
1 140 . 19 1 1 A 22 22 ASN HA H 22 5.240 5.434 -0.194 1
1 145 . 19 1 1 A 22 22 ASN C C 22 174.200 173.253 0.947 1
1 146 . 19 1 1 A 22 22 ASN CA C 22 53.500 51.127 2.373 1
1 147 . 19 1 1 A 22 22 ASN CB C 22 43.000 42.439 0.561 1
1 149 . 19 1 1 A 22 22 ASN N N 22 116.100 118.114 -2.014 1
1 151 . 19 1 1 A 23 23 SER H H 23 8.200 8.402 -0.202 1
1 152 . 19 1 1 A 23 23 SER HA H 23 4.370 4.411 -0.041 1
1 155 . 19 1 1 A 23 23 SER CA C 23 59.700 58.090 1.610 1
1 156 . 19 1 1 A 23 23 SER CB C 23 64.500 63.557 0.943 1
1 157 . 19 1 1 A 23 23 SER N N 23 111.800 117.345 -5.545 1
1 158 . 19 1 1 A 24 24 HIS H H 24 9.070 8.344 0.726 1
1 159 . 19 1 1 A 24 24 HIS HA H 24 4.790 4.158 0.632 1
1 164 . 19 1 1 A 24 24 HIS C C 24 175.100 174.707 0.393 1
1 165 . 19 1 1 A 24 24 HIS CA C 24 57.000 59.923 -2.923 1
1 166 . 19 1 1 A 24 24 HIS CB C 24 31.300 27.816 3.484 1
1 169 . 19 1 1 A 24 24 HIS N N 24 121.900 118.869 3.031 1
1 171 . 19 1 1 A 25 25 ASN H H 25 8.420 8.683 -0.263 1
1 172 . 19 1 1 A 25 25 ASN HA H 25 4.710 4.604 0.106 1
1 177 . 19 1 1 A 25 25 ASN C C 25 173.900 175.660 -1.760 1
1 178 . 19 1 1 A 25 25 ASN CA C 25 52.800 53.736 -0.936 1
1 179 . 19 1 1 A 25 25 ASN CB C 25 39.500 40.192 -0.692 1
1 181 . 19 1 1 A 25 25 ASN N N 25 119.300 116.203 3.097 1
1 183 . 19 1 1 A 26 26 ASP H H 26 8.130 8.981 -0.851 1
1 184 . 19 1 1 A 26 26 ASP HA H 26 4.660 4.771 -0.111 1
1 187 . 19 1 1 A 26 26 ASP C C 26 176.300 176.032 0.268 1
1 188 . 19 1 1 A 26 26 ASP CA C 26 53.600 54.810 -1.210 1
1 189 . 19 1 1 A 26 26 ASP CB C 26 40.900 41.503 -0.603 1
1 190 . 19 1 1 A 26 26 ASP N N 26 115.800 123.123 -7.323 1
1 191 . 19 1 1 A 27 27 ALA H H 27 8.330 8.099 0.231 1
1 192 . 19 1 1 A 27 27 ALA HA H 27 4.210 4.229 -0.019 1
1 196 . 19 1 1 A 27 27 ALA C C 27 178.500 177.082 1.418 1
1 197 . 19 1 1 A 27 27 ALA CA C 27 53.100 52.271 0.829 1
1 198 . 19 1 1 A 27 27 ALA CB C 27 19.200 19.392 -0.192 1
1 199 . 19 1 1 A 27 27 ALA N N 27 124.500 123.350 1.150 1
1 200 . 19 1 1 A 28 28 VAL H H 28 8.310 8.618 -0.308 1
1 201 . 19 1 1 A 28 28 VAL HA H 28 4.360 4.568 -0.208 1
1 209 . 19 1 1 A 28 28 VAL CA C 28 61.000 60.176 0.824 1
1 210 . 19 1 1 A 28 28 VAL CB C 28 35.000 35.728 -0.728 1
1 213 . 19 1 1 A 28 28 VAL N N 28 124.500 122.178 2.322 1
1 214 . 19 1 1 A 29 29 ALA H H 29 8.460 8.279 0.181 1
1 215 . 19 1 1 A 29 29 ALA HA H 29 4.590 5.517 -0.927 1
1 219 . 19 1 1 A 29 29 ALA C C 29 175.800 176.100 -0.300 1
1 220 . 19 1 1 A 29 29 ALA CA C 29 50.400 49.644 0.756 1
1 221 . 19 1 1 A 29 29 ALA CB C 29 20.100 22.539 -2.439 1
1 222 . 19 1 1 A 30 30 PHE H H 30 8.640 8.935 -0.295 1
1 223 . 19 1 1 A 30 30 PHE HA H 30 4.870 5.035 -0.165 1
1 231 . 19 1 1 A 30 30 PHE C C 30 175.800 175.218 0.582 1
1 232 . 19 1 1 A 30 30 PHE CA C 30 57.300 56.294 1.006 1
1 233 . 19 1 1 A 30 30 PHE CB C 30 41.600 42.747 -1.147 1
1 239 . 19 1 1 A 30 30 PHE N N 30 122.100 117.832 4.268 1
1 240 . 19 1 1 A 31 31 GLU H H 31 8.670 8.895 -0.225 1
1 241 . 19 1 1 A 31 31 GLU HA H 31 3.530 3.820 -0.290 1
1 246 . 19 1 1 A 31 31 GLU C C 31 174.700 174.952 -0.252 1
1 247 . 19 1 1 A 31 31 GLU CA C 31 57.200 57.152 0.048 1
1 248 . 19 1 1 A 31 31 GLU CB C 31 27.600 28.067 -0.467 1
1 250 . 19 1 1 A 31 31 GLU N N 31 118.900 118.663 0.237 1
1 251 . 19 1 1 A 32 32 VAL H H 32 9.100 7.553 1.547 1
1 252 . 19 1 1 A 32 32 VAL HA H 32 3.770 4.376 -0.606 1
1 260 . 19 1 1 A 32 32 VAL C C 32 175.400 175.412 -0.012 1
1 261 . 19 1 1 A 32 32 VAL CA C 32 62.900 61.851 1.049 1
1 262 . 19 1 1 A 32 32 VAL CB C 32 32.200 32.124 0.076 1
1 265 . 19 1 1 A 32 32 VAL N N 32 122.300 118.261 4.039 1
1 266 . 19 1 1 A 33 33 LYS H H 33 8.330 8.608 -0.278 1
1 267 . 19 1 1 A 33 33 LYS HA H 33 4.980 4.765 0.215 1
1 276 . 19 1 1 A 33 33 LYS C C 33 176.300 176.203 0.097 1
1 277 . 19 1 1 A 33 33 LYS CA C 33 55.700 56.550 -0.850 1
1 278 . 19 1 1 A 33 33 LYS CB C 33 33.500 32.879 0.621 1
1 282 . 19 1 1 A 33 33 LYS N N 33 128.300 128.401 -0.101 1
1 283 . 19 1 1 A 34 34 LEU H H 34 9.140 8.815 0.325 1
1 284 . 19 1 1 A 34 34 LEU HA H 34 4.750 5.033 -0.283 1
1 294 . 19 1 1 A 34 34 LEU C C 34 175.000 175.978 -0.978 1
1 295 . 19 1 1 A 34 34 LEU CA C 34 52.900 53.669 -0.769 1
1 296 . 19 1 1 A 34 34 LEU CB C 34 46.700 46.053 0.647 1
1 300 . 19 1 1 A 34 34 LEU N N 34 126.700 125.631 1.069 1
1 301 . 19 1 1 A 35 35 ALA H H 35 8.650 8.853 -0.203 1
1 302 . 19 1 1 A 35 35 ALA HA H 35 4.100 3.746 0.354 1
1 306 . 19 1 1 A 35 35 ALA C C 35 178.000 177.724 0.276 1
1 307 . 19 1 1 A 35 35 ALA CA C 35 52.300 51.820 0.480 1
1 308 . 19 1 1 A 35 35 ALA CB C 35 19.100 18.784 0.316 1
1 309 . 19 1 1 A 35 35 ALA N N 35 126.600 127.181 -0.581 1
1 310 . 19 1 1 A 36 36 LYS H H 36 8.230 8.824 -0.594 1
1 311 . 19 1 1 A 36 36 LYS HA H 36 3.710 4.090 -0.380 1
1 320 . 19 1 1 A 36 36 LYS C C 36 176.000 177.261 -1.261 1
1 321 . 19 1 1 A 36 36 LYS CA C 36 59.800 58.322 1.478 1
1 322 . 19 1 1 A 36 36 LYS CB C 36 33.200 32.213 0.987 1
1 326 . 19 1 1 A 36 36 LYS N N 36 119.200 125.553 -6.353 1
1 327 . 19 1 1 A 37 37 ASP H H 37 8.060 7.521 0.539 1
1 328 . 19 1 1 A 37 37 ASP HA H 37 4.470 4.614 -0.144 1
1 331 . 19 1 1 A 37 37 ASP C C 37 176.800 176.301 0.499 1
1 332 . 19 1 1 A 37 37 ASP CA C 37 53.000 54.724 -1.724 1
1 333 . 19 1 1 A 37 37 ASP CB C 37 39.700 40.979 -1.279 1
1 334 . 19 1 1 A 37 37 ASP N N 37 112.700 118.670 -5.970 1
1 335 . 19 1 1 A 38 38 LEU H H 38 7.170 6.921 0.249 1
1 336 . 19 1 1 A 38 38 LEU HA H 38 4.280 4.210 0.070 1
1 346 . 19 1 1 A 38 38 LEU C C 38 177.600 177.305 0.295 1
1 347 . 19 1 1 A 38 38 LEU CA C 38 55.800 54.941 0.859 1
1 348 . 19 1 1 A 38 38 LEU CB C 38 43.900 42.826 1.074 1
1 352 . 19 1 1 A 38 38 LEU N N 38 122.100 122.205 -0.105 1
1 353 . 19 1 1 A 39 39 THR H H 39 8.430 8.626 -0.196 1
1 354 . 19 1 1 A 39 39 THR HA H 39 5.010 4.731 0.279 1
1 360 . 19 1 1 A 39 39 THR C C 39 176.500 176.169 0.331 1
1 361 . 19 1 1 A 39 39 THR CA C 39 60.900 60.350 0.550 1
1 362 . 19 1 1 A 39 39 THR CB C 39 71.200 71.357 -0.157 1
1 364 . 19 1 1 A 39 39 THR N N 39 112.800 115.009 -2.209 1
1 365 . 19 1 1 A 40 40 VAL H H 40 8.740 8.389 0.351 1
1 366 . 19 1 1 A 40 40 VAL HA H 40 3.530 3.697 -0.167 1
1 374 . 19 1 1 A 40 40 VAL C C 40 178.200 177.379 0.821 1
1 375 . 19 1 1 A 40 40 VAL CA C 40 67.300 66.681 0.619 1
1 376 . 19 1 1 A 40 40 VAL CB C 40 31.600 31.678 -0.078 1
1 379 . 19 1 1 A 40 40 VAL N N 40 123.600 122.338 1.262 1
1 380 . 19 1 1 A 41 41 ALA H H 41 8.520 8.217 0.303 1
1 381 . 19 1 1 A 41 41 ALA HA H 41 3.950 3.888 0.062 1
1 385 . 19 1 1 A 41 41 ALA C C 41 180.700 179.947 0.753 1
1 386 . 19 1 1 A 41 41 ALA CA C 41 56.100 55.639 0.461 1
1 387 . 19 1 1 A 41 41 ALA CB C 41 18.800 18.283 0.517 1
1 388 . 19 1 1 A 41 41 ALA N N 41 121.400 122.262 -0.862 1
1 389 . 19 1 1 A 42 42 GLN H H 42 7.740 7.749 -0.009 1
1 390 . 19 1 1 A 42 42 GLN HA H 42 4.060 4.046 0.014 1
1 397 . 19 1 1 A 42 42 GLN C C 42 180.300 178.659 1.641 1
1 398 . 19 1 1 A 42 42 GLN CA C 42 58.600 58.844 -0.244 1
1 399 . 19 1 1 A 42 42 GLN CB C 42 29.200 28.621 0.579 1
1 402 . 19 1 1 A 42 42 GLN N N 42 117.500 118.257 -0.757 1
1 404 . 19 1 1 A 43 43 LEU H H 43 9.210 7.941 1.269 1
1 405 . 19 1 1 A 43 43 LEU HA H 43 3.940 4.118 -0.178 1
1 415 . 19 1 1 A 43 43 LEU C C 43 178.300 178.660 -0.360 1
1 416 . 19 1 1 A 43 43 LEU CA C 43 57.900 57.742 0.158 1
1 417 . 19 1 1 A 43 43 LEU CB C 43 41.300 41.698 -0.398 1
1 421 . 19 1 1 A 43 43 LEU N N 43 123.000 121.464 1.536 1
1 422 . 19 1 1 A 44 44 LYS H H 44 8.740 8.063 0.677 1
1 423 . 19 1 1 A 44 44 LYS HA H 44 3.860 3.954 -0.094 1
1 432 . 19 1 1 A 44 44 LYS C C 44 178.300 179.087 -0.787 1
1 433 . 19 1 1 A 44 44 LYS CA C 44 61.100 59.314 1.786 1
1 434 . 19 1 1 A 44 44 LYS CB C 44 32.800 32.319 0.481 1
1 438 . 19 1 1 A 44 44 LYS N N 44 119.300 118.789 0.511 1
1 439 . 19 1 1 A 45 45 THR H H 45 7.440 7.818 -0.378 1
1 440 . 19 1 1 A 45 45 THR HA H 45 3.930 3.875 0.055 1
1 445 . 19 1 1 A 45 45 THR C C 45 176.700 176.517 0.183 1
1 446 . 19 1 1 A 45 45 THR CA C 45 67.100 67.240 -0.140 1
1 447 . 19 1 1 A 45 45 THR CB C 45 68.800 68.329 0.471 1
1 449 . 19 1 1 A 45 45 THR N N 45 114.000 118.163 -4.163 1
1 450 . 19 1 1 A 46 46 LYS H H 46 7.500 7.720 -0.220 1
1 451 . 19 1 1 A 46 46 LYS HA H 46 4.100 4.009 0.091 1
1 460 . 19 1 1 A 46 46 LYS C C 46 179.700 179.602 0.098 1
1 461 . 19 1 1 A 46 46 LYS CA C 46 59.400 59.925 -0.525 1
1 462 . 19 1 1 A 46 46 LYS CB C 46 32.100 32.274 -0.174 1
1 466 . 19 1 1 A 46 46 LYS N N 46 121.700 120.326 1.374 1
1 467 . 19 1 1 A 47 47 LEU H H 47 9.010 8.511 0.499 1
1 468 . 19 1 1 A 47 47 LEU HA H 47 4.040 3.940 0.100 1
1 478 . 19 1 1 A 47 47 LEU C C 47 180.000 178.796 1.204 1
1 479 . 19 1 1 A 47 47 LEU CA C 47 57.200 58.044 -0.844 1
1 480 . 19 1 1 A 47 47 LEU CB C 47 40.700 41.233 -0.533 1
1 484 . 19 1 1 A 47 47 LEU N N 47 118.000 119.644 -1.644 1
1 485 . 19 1 1 A 48 48 GLU H H 48 8.450 8.750 -0.300 1
1 486 . 19 1 1 A 48 48 GLU HA H 48 4.050 4.011 0.039 1
1 491 . 19 1 1 A 48 48 GLU C C 48 178.800 179.423 -0.623 1
1 492 . 19 1 1 A 48 48 GLU CA C 48 59.700 59.369 0.331 1
1 493 . 19 1 1 A 48 48 GLU CB C 48 29.400 29.526 -0.126 1
1 495 . 19 1 1 A 48 48 GLU N N 48 126.300 120.156 6.144 1
1 496 . 19 1 1 A 49 49 ILE H H 49 7.180 7.630 -0.450 1
1 497 . 19 1 1 A 49 49 ILE HA H 49 3.780 3.672 0.108 1
1 507 . 19 1 1 A 49 49 ILE C C 49 178.000 178.675 -0.675 1
1 508 . 19 1 1 A 49 49 ILE CA C 49 64.000 65.456 -1.456 1
1 509 . 19 1 1 A 49 49 ILE CB C 49 38.100 37.730 0.370 1
1 513 . 19 1 1 A 49 49 ILE N N 49 119.600 119.703 -0.103 1
1 514 . 19 1 1 A 50 50 LEU H H 50 7.520 7.962 -0.442 1
1 515 . 19 1 1 A 50 50 LEU HA H 50 4.160 3.956 0.204 1
1 525 . 19 1 1 A 50 50 LEU C C 50 178.400 178.430 -0.030 1
1 526 . 19 1 1 A 50 50 LEU CA C 50 57.500 57.951 -0.451 1
1 527 . 19 1 1 A 50 50 LEU CB C 50 44.300 41.617 2.683 1
1 531 . 19 1 1 A 50 50 LEU N N 50 116.800 118.973 -2.173 1
1 532 . 19 1 1 A 51 51 THR H H 51 8.160 8.207 -0.047 1
1 533 . 19 1 1 A 51 51 THR HA H 51 4.490 4.432 0.058 1
1 538 . 19 1 1 A 51 51 THR C C 51 175.600 176.242 -0.642 1
1 539 . 19 1 1 A 51 51 THR CA C 51 62.400 62.329 0.071 1
1 540 . 19 1 1 A 51 51 THR CB C 51 72.900 70.680 2.220 1
1 542 . 19 1 1 A 51 51 THR N N 51 104.100 106.170 -2.070 1
1 543 . 19 1 1 A 52 52 GLY H H 52 8.080 8.412 -0.332 1
1 544 . 19 1 1 A 52 52 GLY HA2 H 52 3.830 3.921 -0.091 1
1 545 . 19 1 1 A 52 52 GLY HA3 H 52 4.250 3.921 0.329 1
1 546 . 19 1 1 A 52 52 GLY C C 52 174.800 174.726 0.074 1
1 547 . 19 1 1 A 52 52 GLY CA C 52 45.500 45.730 -0.230 1
1 548 . 19 1 1 A 52 52 GLY N N 52 112.100 112.284 -0.184 1
1 549 . 19 1 1 A 53 53 GLY H H 53 7.880 8.017 -0.137 1
1 550 . 19 1 1 A 53 53 GLY HA2 H 53 3.220 4.038 -0.818 1
1 551 . 19 1 1 A 53 53 GLY HA3 H 53 4.040 4.039 0.001 1
1 552 . 19 1 1 A 53 53 GLY C C 53 170.900 172.461 -1.561 1
1 553 . 19 1 1 A 53 53 GLY CA C 53 44.300 44.438 -0.138 1
1 554 . 19 1 1 A 53 53 GLY N N 53 107.000 107.610 -0.610 1
1 555 . 19 1 1 A 54 54 CYS H H 54 8.690 8.439 0.251 1
1 556 . 19 1 1 A 54 54 CYS HA H 54 4.430 4.681 -0.251 1
1 559 . 19 1 1 A 54 54 CYS C C 54 176.100 176.139 -0.039 1
1 560 . 19 1 1 A 54 54 CYS CA C 54 57.900 58.517 -0.617 1
1 561 . 19 1 1 A 54 54 CYS CB C 54 27.800 29.266 -1.466 1
1 562 . 19 1 1 A 54 54 CYS N N 54 120.200 118.350 1.850 1
1 563 . 19 1 1 A 55 55 ALA H H 55 10.100 9.035 1.065 1
1 564 . 19 1 1 A 55 55 ALA HA H 55 3.890 3.934 -0.044 1
1 568 . 19 1 1 A 55 55 ALA C C 55 178.900 179.500 -0.600 1
1 569 . 19 1 1 A 55 55 ALA CA C 55 55.700 55.113 0.587 1
1 570 . 19 1 1 A 55 55 ALA CB C 55 18.500 18.422 0.078 1
1 571 . 19 1 1 A 55 55 ALA N N 55 133.900 130.193 3.707 1
1 572 . 19 1 1 A 56 56 GLY H H 56 8.380 7.930 0.450 1
1 573 . 19 1 1 A 56 56 GLY HA2 H 56 3.910 3.730 0.180 1
1 574 . 19 1 1 A 56 56 GLY HA3 H 56 3.910 3.730 0.180 1
1 575 . 19 1 1 A 56 56 GLY C C 56 174.600 175.479 -0.879 1
1 576 . 19 1 1 A 56 56 GLY CA C 56 45.900 47.001 -1.101 1
1 577 . 19 1 1 A 56 56 GLY N N 56 104.300 105.305 -1.005 1
1 578 . 19 1 1 A 57 57 THR H H 57 7.310 7.515 -0.205 1
1 579 . 19 1 1 A 57 57 THR HA H 57 4.520 4.305 0.215 1
1 584 . 19 1 1 A 57 57 THR C C 57 175.500 174.491 1.009 1
1 585 . 19 1 1 A 57 57 THR CA C 57 61.400 62.437 -1.037 1
1 586 . 19 1 1 A 57 57 THR CB C 57 69.900 69.514 0.386 1
1 588 . 19 1 1 A 57 57 THR N N 57 107.700 110.408 -2.708 1
1 589 . 19 1 1 A 58 58 MET H H 58 7.910 7.480 0.430 1
1 590 . 19 1 1 A 58 58 MET HA H 58 4.540 4.609 -0.069 1
1 598 . 19 1 1 A 58 58 MET C C 58 175.100 174.874 0.226 1
1 599 . 19 1 1 A 58 58 MET CA C 58 56.900 54.544 2.356 1
1 600 . 19 1 1 A 58 58 MET CB C 58 33.700 34.019 -0.319 1
1 603 . 19 1 1 A 58 58 MET N N 58 120.700 122.789 -2.089 1
1 604 . 19 1 1 A 59 59 LYS H H 59 8.780 8.687 0.093 1
1 605 . 19 1 1 A 59 59 LYS HA H 59 4.610 4.964 -0.354 1
1 614 . 19 1 1 A 59 59 LYS C C 59 174.500 175.311 -0.811 1
1 615 . 19 1 1 A 59 59 LYS CA C 59 54.500 54.677 -0.177 1
1 616 . 19 1 1 A 59 59 LYS CB C 59 34.700 35.703 -1.003 1
1 620 . 19 1 1 A 59 59 LYS N N 59 122.400 126.129 -3.729 1
1 621 . 19 1 1 A 60 60 VAL H H 60 8.740 8.629 0.111 1
1 622 . 19 1 1 A 60 60 VAL HA H 60 4.700 4.957 -0.257 1
1 630 . 19 1 1 A 60 60 VAL C C 60 175.000 175.019 -0.019 1
1 631 . 19 1 1 A 60 60 VAL CA C 60 61.300 60.813 0.487 1
1 632 . 19 1 1 A 60 60 VAL CB C 60 33.400 34.167 -0.767 1
1 635 . 19 1 1 A 60 60 VAL N N 60 122.100 121.858 0.242 1
1 636 . 19 1 1 A 61 61 GLN H H 61 9.250 8.684 0.566 1
1 637 . 19 1 1 A 61 61 GLN HA H 61 4.790 5.016 -0.226 1
1 644 . 19 1 1 A 61 61 GLN C C 61 174.700 174.739 -0.039 1
1 645 . 19 1 1 A 61 61 GLN CA C 61 54.200 53.997 0.203 1
1 646 . 19 1 1 A 61 61 GLN CB C 61 32.800 32.757 0.043 1
1 649 . 19 1 1 A 61 61 GLN N N 61 126.400 125.718 0.682 1
1 651 . 19 1 1 A 62 62 VAL H H 62 8.690 8.350 0.340 1
1 652 . 19 1 1 A 62 62 VAL HA H 62 4.650 4.661 -0.011 1
1 660 . 19 1 1 A 62 62 VAL C C 62 174.700 175.211 -0.511 1
1 661 . 19 1 1 A 62 62 VAL CA C 62 61.800 61.544 0.256 1
1 662 . 19 1 1 A 62 62 VAL CB C 62 32.500 32.139 0.361 1
1 665 . 19 1 1 A 62 62 VAL N N 62 121.700 123.213 -1.513 1
1 666 . 19 1 1 A 63 63 PHE H H 63 10.020 9.303 0.717 1
1 667 . 19 1 1 A 63 63 PHE HA H 63 5.170 5.215 -0.045 1
1 675 . 19 1 1 A 63 63 PHE C C 63 175.100 174.683 0.417 1
1 676 . 19 1 1 A 63 63 PHE CA C 63 56.800 55.985 0.815 1
1 677 . 19 1 1 A 63 63 PHE CB C 63 42.900 43.381 -0.481 1
1 683 . 19 1 1 A 63 63 PHE N N 63 127.100 126.497 0.603 1
1 684 . 19 1 1 A 64 64 LYS H H 64 8.710 8.499 0.211 1
1 685 . 19 1 1 A 64 64 LYS HA H 64 4.650 4.663 -0.013 1
1 694 . 19 1 1 A 64 64 LYS C C 64 176.900 176.556 0.344 1
1 695 . 19 1 1 A 64 64 LYS CA C 64 55.100 55.361 -0.261 1
1 696 . 19 1 1 A 64 64 LYS CB C 64 34.100 33.919 0.181 1
1 700 . 19 1 1 A 64 64 LYS N N 64 123.900 123.181 0.719 1
1 701 . 19 1 1 A 65 65 GLY H H 65 9.160 9.064 0.096 1
1 702 . 19 1 1 A 65 65 GLY HA2 H 65 3.680 3.893 -0.213 1
1 703 . 19 1 1 A 65 65 GLY HA3 H 65 4.050 3.895 0.155 1
1 704 . 19 1 1 A 65 65 GLY C C 65 174.600 174.490 0.110 1
1 705 . 19 1 1 A 65 65 GLY CA C 65 47.200 47.242 -0.042 1
1 706 . 19 1 1 A 65 65 GLY N N 65 118.800 116.345 2.455 1
1 707 . 19 1 1 A 66 66 ASP H H 66 8.760 8.710 0.050 1
1 708 . 19 1 1 A 66 66 ASP HA H 66 4.700 4.722 -0.022 1
1 711 . 19 1 1 A 66 66 ASP C C 66 176.000 175.256 0.744 1
1 712 . 19 1 1 A 66 66 ASP CA C 66 54.300 53.474 0.826 1
1 713 . 19 1 1 A 66 66 ASP CB C 66 41.300 40.569 0.731 1
1 714 . 19 1 1 A 66 66 ASP N N 66 126.400 125.998 0.402 1
1 715 . 19 1 1 A 67 67 THR H H 67 8.020 7.336 0.684 1
1 716 . 19 1 1 A 67 67 THR HA H 67 4.300 4.944 -0.644 1
1 721 . 19 1 1 A 67 67 THR C C 67 172.100 173.630 -1.530 1
1 722 . 19 1 1 A 67 67 THR CA C 67 62.400 61.346 1.054 1
1 723 . 19 1 1 A 67 67 THR CB C 67 70.700 71.440 -0.740 1
1 725 . 19 1 1 A 67 67 THR N N 67 117.500 114.438 3.062 1
1 726 . 19 1 1 A 68 68 CYS H H 68 8.940 8.824 0.116 1
1 727 . 19 1 1 A 68 68 CYS HA H 68 3.400 4.375 -0.975 1
1 730 . 19 1 1 A 68 68 CYS C C 68 174.900 174.459 0.441 1
1 731 . 19 1 1 A 68 68 CYS CA C 68 58.700 58.411 0.289 1
1 732 . 19 1 1 A 68 68 CYS CB C 68 25.600 27.016 -1.416 1
1 733 . 19 1 1 A 68 68 CYS N N 68 129.500 124.213 5.287 1
1 734 . 19 1 1 A 69 69 VAL H H 69 9.090 8.676 0.414 1
1 735 . 19 1 1 A 69 69 VAL HA H 69 4.150 3.877 0.273 1
1 743 . 19 1 1 A 69 69 VAL C C 69 176.300 175.377 0.923 1
1 744 . 19 1 1 A 69 69 VAL CA C 69 62.900 64.181 -1.281 1
1 745 . 19 1 1 A 69 69 VAL CB C 69 32.800 32.071 0.729 1
1 748 . 19 1 1 A 69 69 VAL N N 69 127.500 126.251 1.249 1
1 749 . 19 1 1 A 70 70 SER H H 70 7.640 7.499 0.141 1
1 750 . 19 1 1 A 70 70 SER HA H 70 4.550 4.676 -0.126 1
1 753 . 19 1 1 A 70 70 SER C C 70 172.300 171.715 0.585 1
1 754 . 19 1 1 A 70 70 SER CA C 70 58.700 57.756 0.944 1
1 755 . 19 1 1 A 70 70 SER CB C 70 65.100 66.494 -1.394 1
1 756 . 19 1 1 A 70 70 SER N N 70 113.400 112.498 0.902 1
1 757 . 19 1 1 A 71 71 THR H H 71 8.220 8.363 -0.143 1
1 758 . 19 1 1 A 71 71 THR HA H 71 4.580 4.685 -0.105 1
1 763 . 19 1 1 A 71 71 THR C C 71 174.000 174.311 -0.311 1
1 764 . 19 1 1 A 71 71 THR CA C 71 61.800 61.012 0.788 1
1 765 . 19 1 1 A 71 71 THR CB C 71 70.500 70.668 -0.168 1
1 767 . 19 1 1 A 71 71 THR N N 71 114.500 115.344 -0.844 1
1 768 . 19 1 1 A 72 72 MET H H 72 8.260 8.691 -0.431 1
1 769 . 19 1 1 A 72 72 MET HA H 72 2.990 4.080 -1.090 1
1 777 . 19 1 1 A 72 72 MET C C 72 175.700 175.596 0.104 1
1 778 . 19 1 1 A 72 72 MET CA C 72 55.100 54.318 0.782 1
1 779 . 19 1 1 A 72 72 MET CB C 72 30.200 31.728 -1.528 1
1 782 . 19 1 1 A 72 72 MET N N 72 121.800 124.814 -3.014 1
1 783 . 19 1 1 A 73 73 ASP H H 73 7.830 9.071 -1.241 1
1 784 . 19 1 1 A 73 73 ASP HA H 73 4.370 4.788 -0.418 1
1 787 . 19 1 1 A 73 73 ASP C C 73 175.100 175.737 -0.637 1
1 788 . 19 1 1 A 73 73 ASP CA C 73 55.800 54.840 0.960 1
1 789 . 19 1 1 A 73 73 ASP CB C 73 41.800 42.832 -1.032 1
1 790 . 19 1 1 A 73 73 ASP N N 73 125.100 125.548 -0.448 1
1 791 . 19 1 1 A 74 74 ASN H H 74 7.480 7.825 -0.345 1
1 792 . 19 1 1 A 74 74 ASN HA H 74 4.890 4.749 0.141 1
1 797 . 19 1 1 A 74 74 ASN C C 74 175.800 175.639 0.161 1
1 798 . 19 1 1 A 74 74 ASN CA C 74 51.600 52.642 -1.042 1
1 799 . 19 1 1 A 74 74 ASN CB C 74 38.800 38.921 -0.121 1
1 801 . 19 1 1 A 74 74 ASN N N 74 116.400 117.554 -1.154 1
1 803 . 19 1 1 A 75 75 ASN H H 75 8.870 8.933 -0.063 1
1 804 . 19 1 1 A 75 75 ASN HA H 75 4.390 4.463 -0.073 1
1 809 . 19 1 1 A 75 75 ASN C C 75 175.700 176.986 -1.286 1
1 810 . 19 1 1 A 75 75 ASN CA C 75 55.600 56.041 -0.441 1
1 811 . 19 1 1 A 75 75 ASN CB C 75 39.200 38.306 0.894 1
1 813 . 19 1 1 A 75 75 ASN N N 75 123.600 124.579 -0.979 1
1 815 . 19 1 1 A 76 76 ASP H H 76 8.060 7.605 0.455 1
1 816 . 19 1 1 A 76 76 ASP HA H 76 4.750 4.602 0.148 1
1 819 . 19 1 1 A 76 76 ASP C C 76 176.200 176.222 -0.022 1
1 820 . 19 1 1 A 76 76 ASP CA C 76 54.200 55.193 -0.993 1
1 821 . 19 1 1 A 76 76 ASP CB C 76 41.700 40.643 1.057 1
1 822 . 19 1 1 A 76 76 ASP N N 76 115.100 117.084 -1.984 1
1 823 . 19 1 1 A 77 77 ALA H H 77 7.140 7.346 -0.206 1
1 824 . 19 1 1 A 77 77 ALA HA H 77 4.160 4.247 -0.087 1
1 828 . 19 1 1 A 77 77 ALA C C 77 176.100 177.185 -1.085 1
1 829 . 19 1 1 A 77 77 ALA CA C 77 51.400 51.965 -0.565 1
1 830 . 19 1 1 A 77 77 ALA CB C 77 20.100 20.330 -0.230 1
1 831 . 19 1 1 A 77 77 ALA N N 77 122.600 122.915 -0.315 1
1 832 . 19 1 1 A 78 78 GLN H H 78 8.090 8.978 -0.888 1
1 833 . 19 1 1 A 78 78 GLN HA H 78 4.750 4.452 0.298 1
1 840 . 19 1 1 A 78 78 GLN C C 78 177.900 177.631 0.269 1
1 841 . 19 1 1 A 78 78 GLN CA C 78 55.200 55.128 0.072 1
1 842 . 19 1 1 A 78 78 GLN CB C 78 29.500 29.510 -0.010 1
1 845 . 19 1 1 A 78 78 GLN N N 78 116.500 120.204 -3.704 1
1 847 . 19 1 1 A 79 79 LEU H H 79 9.380 9.313 0.067 1
1 848 . 19 1 1 A 79 79 LEU HA H 79 4.060 4.162 -0.102 1
1 858 . 19 1 1 A 79 79 LEU C C 79 179.200 178.959 0.241 1
1 859 . 19 1 1 A 79 79 LEU CA C 79 58.900 58.026 0.874 1
1 860 . 19 1 1 A 79 79 LEU CB C 79 42.000 41.526 0.474 1
1 864 . 19 1 1 A 79 79 LEU N N 79 123.800 126.403 -2.603 1
1 865 . 19 1 1 A 80 80 GLY H H 80 9.130 7.970 1.160 1
1 866 . 19 1 1 A 80 80 GLY HA2 H 80 3.750 3.922 -0.172 1
1 867 . 19 1 1 A 80 80 GLY HA3 H 80 4.160 3.945 0.215 1
1 868 . 19 1 1 A 80 80 GLY C C 80 174.100 175.197 -1.097 1
1 869 . 19 1 1 A 80 80 GLY CA C 80 45.600 46.278 -0.678 1
1 870 . 19 1 1 A 80 80 GLY N N 80 104.000 106.243 -2.243 1
1 871 . 19 1 1 A 81 81 TYR H H 81 7.900 8.034 -0.134 1
1 872 . 19 1 1 A 81 81 TYR HA H 81 4.000 3.941 0.059 1
1 879 . 19 1 1 A 81 81 TYR C C 81 176.300 176.711 -0.411 1
1 880 . 19 1 1 A 81 81 TYR CA C 81 60.600 60.718 -0.118 1
1 881 . 19 1 1 A 81 81 TYR CB C 81 38.700 38.420 0.280 1
1 886 . 19 1 1 A 81 81 TYR N N 81 120.300 122.467 -2.167 1
1 887 . 19 1 1 A 82 82 TYR H H 82 7.430 7.410 0.020 1
1 888 . 19 1 1 A 82 82 TYR HA H 82 4.340 4.641 -0.301 1
1 895 . 19 1 1 A 82 82 TYR C C 82 175.500 176.490 -0.990 1
1 896 . 19 1 1 A 82 82 TYR CA C 82 58.700 58.986 -0.286 1
1 897 . 19 1 1 A 82 82 TYR CB C 82 41.500 40.380 1.120 1
1 902 . 19 1 1 A 82 82 TYR N N 82 114.000 114.625 -0.625 1
1 903 . 19 1 1 A 83 83 ALA H H 83 8.430 7.554 0.876 1
1 904 . 19 1 1 A 83 83 ALA HA H 83 4.380 4.552 -0.172 1
1 908 . 19 1 1 A 83 83 ALA C C 83 173.400 177.620 -4.220 1
1 909 . 19 1 1 A 83 83 ALA CA C 83 51.000 50.803 0.197 1
1 910 . 19 1 1 A 83 83 ALA CB C 83 19.500 18.093 1.407 1
1 911 . 19 1 1 A 83 83 ALA N N 83 122.900 121.213 1.687 1
1 912 . 19 1 1 A 84 84 ASN H H 84 8.050 8.422 -0.372 1
1 913 . 19 1 1 A 84 84 ASN HA H 84 4.760 4.816 -0.056 1
1 918 . 19 1 1 A 84 84 ASN C C 84 174.600 174.488 0.112 1
1 919 . 19 1 1 A 84 84 ASN CA C 84 52.200 52.524 -0.324 1
1 920 . 19 1 1 A 84 84 ASN CB C 84 39.300 38.315 0.985 1
1 922 . 19 1 1 A 84 84 ASN N N 84 117.300 118.647 -1.347 1
1 924 . 19 1 1 A 85 85 SER H H 85 7.180 7.502 -0.322 1
1 925 . 19 1 1 A 85 85 SER HA H 85 4.670 4.860 -0.190 1
1 928 . 19 1 1 A 85 85 SER C C 85 172.000 172.050 -0.050 1
1 929 . 19 1 1 A 85 85 SER CA C 85 56.900 56.396 0.504 1
1 930 . 19 1 1 A 85 85 SER CB C 85 66.000 65.800 0.200 1
1 931 . 19 1 1 A 85 85 SER N N 85 112.200 113.027 -0.827 1
1 932 . 19 1 1 A 86 86 ASP H H 86 8.320 8.710 -0.390 1
1 933 . 19 1 1 A 86 86 ASP HA H 86 4.920 4.481 0.439 1
1 936 . 19 1 1 A 86 86 ASP C C 86 178.100 177.187 0.913 1
1 937 . 19 1 1 A 86 86 ASP CA C 86 55.000 54.995 0.005 1
1 938 . 19 1 1 A 86 86 ASP CB C 86 42.000 41.295 0.705 1
1 939 . 19 1 1 A 86 86 ASP N N 86 119.100 125.466 -6.366 1
1 940 . 19 1 1 A 87 87 GLY H H 87 8.910 8.624 0.286 1
1 941 . 19 1 1 A 87 87 GLY HA2 H 87 3.850 3.964 -0.114 1
1 942 . 19 1 1 A 87 87 GLY HA3 H 87 4.110 3.973 0.137 1
1 943 . 19 1 1 A 87 87 GLY C C 87 175.400 174.827 0.573 1
1 944 . 19 1 1 A 87 87 GLY CA C 87 46.100 45.402 0.698 1
1 945 . 19 1 1 A 87 87 GLY N N 87 107.900 113.769 -5.869 1
1 946 . 19 1 1 A 88 88 LEU H H 88 8.290 7.942 0.348 1
1 947 . 19 1 1 A 88 88 LEU HA H 88 4.740 4.528 0.212 1
1 957 . 19 1 1 A 88 88 LEU C C 88 175.000 176.175 -1.175 1
1 958 . 19 1 1 A 88 88 LEU CA C 88 54.500 54.590 -0.090 1
1 959 . 19 1 1 A 88 88 LEU CB C 88 43.200 42.650 0.550 1
1 963 . 19 1 1 A 88 88 LEU N N 88 120.300 122.706 -2.406 1
1 964 . 19 1 1 A 89 89 ARG H H 89 8.880 8.515 0.365 1
1 965 . 19 1 1 A 89 89 ARG HA H 89 5.300 5.253 0.047 1
1 973 . 19 1 1 A 89 89 ARG C C 89 174.900 174.540 0.360 1
1 974 . 19 1 1 A 89 89 ARG CA C 89 53.600 54.719 -1.119 1
1 975 . 19 1 1 A 89 89 ARG CB C 89 34.300 33.585 0.715 1
1 979 . 19 1 1 A 89 89 ARG N N 89 121.200 123.044 -1.844 1
1 981 . 19 1 1 A 90 90 LEU H H 90 9.250 9.063 0.187 1
1 982 . 19 1 1 A 90 90 LEU HA H 90 5.270 5.189 0.081 1
1 992 . 19 1 1 A 90 90 LEU C C 90 173.700 175.215 -1.515 1
1 993 . 19 1 1 A 90 90 LEU CA C 90 52.900 53.246 -0.346 1
1 994 . 19 1 1 A 90 90 LEU CB C 90 42.000 43.486 -1.486 1
1 998 . 19 1 1 A 90 90 LEU N N 90 125.500 128.355 -2.855 1
1 999 . 19 1 1 A 91 91 HIS H H 91 9.600 9.159 0.441 1
1 1000 . 19 1 1 A 91 91 HIS HA H 91 5.280 5.328 -0.048 1
1 1005 . 19 1 1 A 91 91 HIS C C 91 174.300 173.419 0.881 1
1 1006 . 19 1 1 A 91 91 HIS CA C 91 54.500 53.929 0.571 1
1 1007 . 19 1 1 A 91 91 HIS CB C 91 35.200 31.801 3.399 1
1 1010 . 19 1 1 A 91 91 HIS N N 91 124.800 124.967 -0.167 1
1 1013 . 19 1 1 A 92 92 VAL H H 92 8.300 8.790 -0.490 1
1 1014 . 19 1 1 A 92 92 VAL HA H 92 4.110 4.237 -0.127 1
1 1022 . 19 1 1 A 92 92 VAL C C 92 174.200 175.034 -0.834 1
1 1023 . 19 1 1 A 92 92 VAL CA C 92 62.900 62.191 0.709 1
1 1024 . 19 1 1 A 92 92 VAL CB C 92 32.600 32.092 0.508 1
1 1027 . 19 1 1 A 92 92 VAL N N 92 128.400 128.032 0.368 1
1 1028 . 19 1 1 A 93 93 VAL H H 93 8.950 9.260 -0.310 1
1 1029 . 19 1 1 A 93 93 VAL HA H 93 4.170 4.453 -0.283 1
1 1037 . 19 1 1 A 93 93 VAL C C 93 175.600 173.655 1.945 1
1 1038 . 19 1 1 A 93 93 VAL CA C 93 61.100 61.175 -0.075 1
1 1039 . 19 1 1 A 93 93 VAL CB C 93 33.300 32.327 0.973 1
1 1042 . 19 1 1 A 93 93 VAL N N 93 127.800 128.705 -0.905 1
1 1043 . 19 1 1 A 94 94 ASP H H 94 8.280 9.160 -0.880 1
1 1044 . 19 1 1 A 94 94 ASP HA H 94 4.850 4.917 -0.067 1
1 1047 . 19 1 1 A 94 94 ASP C C 94 174.700 174.898 -0.198 1
1 1048 . 19 1 1 A 94 94 ASP CA C 94 53.800 53.166 0.634 1
1 1049 . 19 1 1 A 94 94 ASP CB C 94 42.500 42.002 0.498 1
1 1050 . 19 1 1 A 94 94 ASP N N 94 127.100 129.808 -2.708 1
1 1 . 20 1 1 A 11 11 GLY C C 11 174.100 175.349 -1.249 1
1 2 . 20 1 1 A 11 11 GLY CA C 11 45.300 46.072 -0.772 1
1 3 . 20 1 1 A 12 12 LYS H H 12 8.180 8.830 -0.650 1
1 4 . 20 1 1 A 12 12 LYS HA H 12 4.320 4.219 0.101 1
1 13 . 20 1 1 A 12 12 LYS C C 12 176.700 176.535 0.165 1
1 14 . 20 1 1 A 12 12 LYS CA C 12 56.400 58.812 -2.412 1
1 15 . 20 1 1 A 12 12 LYS CB C 12 33.200 32.703 0.497 1
1 19 . 20 1 1 A 12 12 LYS N N 12 120.600 126.340 -5.740 1
1 20 . 20 1 1 A 13 13 SER H H 13 8.360 7.998 0.362 1
1 21 . 20 1 1 A 13 13 SER HA H 13 4.450 4.881 -0.431 1
1 24 . 20 1 1 A 13 13 SER C C 13 173.800 173.677 0.123 1
1 25 . 20 1 1 A 13 13 SER CA C 13 58.000 58.306 -0.306 1
1 26 . 20 1 1 A 13 13 SER CB C 13 63.900 62.472 1.428 1
1 27 . 20 1 1 A 13 13 SER N N 13 116.300 113.475 2.825 1
1 28 . 20 1 1 A 14 14 ASP H H 14 8.450 8.705 -0.255 1
1 29 . 20 1 1 A 14 14 ASP HA H 14 4.670 4.838 -0.168 1
1 32 . 20 1 1 A 14 14 ASP C C 14 175.100 174.261 0.839 1
1 33 . 20 1 1 A 14 14 ASP CA C 14 54.400 53.942 0.458 1
1 34 . 20 1 1 A 14 14 ASP CB C 14 41.500 41.374 0.126 1
1 35 . 20 1 1 A 14 14 ASP N N 14 122.400 125.350 -2.950 1
1 36 . 20 1 1 A 15 15 PHE H H 15 8.110 7.688 0.422 1
1 37 . 20 1 1 A 15 15 PHE HA H 15 5.290 5.457 -0.167 1
1 45 . 20 1 1 A 15 15 PHE C C 15 175.000 174.987 0.013 1
1 46 . 20 1 1 A 15 15 PHE CA C 15 56.600 56.455 0.145 1
1 47 . 20 1 1 A 15 15 PHE CB C 15 42.600 43.068 -0.468 1
1 53 . 20 1 1 A 15 15 PHE N N 15 118.500 118.023 0.477 1
1 54 . 20 1 1 A 16 16 ILE H H 16 9.160 8.568 0.592 1
1 55 . 20 1 1 A 16 16 ILE HA H 16 4.710 5.048 -0.338 1
1 65 . 20 1 1 A 16 16 ILE C C 16 173.400 174.004 -0.604 1
1 66 . 20 1 1 A 16 16 ILE CA C 16 59.300 59.129 0.171 1
1 67 . 20 1 1 A 16 16 ILE CB C 16 42.100 41.836 0.264 1
1 71 . 20 1 1 A 16 16 ILE N N 16 116.700 116.689 0.011 1
1 72 . 20 1 1 A 17 17 LYS H H 17 8.530 8.755 -0.225 1
1 73 . 20 1 1 A 17 17 LYS HA H 17 5.220 4.996 0.224 1
1 82 . 20 1 1 A 17 17 LYS C C 17 176.400 176.172 0.228 1
1 83 . 20 1 1 A 17 17 LYS CA C 17 54.900 55.582 -0.682 1
1 84 . 20 1 1 A 17 17 LYS CB C 17 34.100 33.950 0.150 1
1 88 . 20 1 1 A 17 17 LYS N N 17 123.200 123.006 0.194 1
1 89 . 20 1 1 A 18 18 VAL H H 18 8.900 8.502 0.398 1
1 90 . 20 1 1 A 18 18 VAL HA H 18 4.990 4.983 0.007 1
1 98 . 20 1 1 A 18 18 VAL C C 18 174.300 173.575 0.725 1
1 99 . 20 1 1 A 18 18 VAL CA C 18 58.600 58.679 -0.079 1
1 100 . 20 1 1 A 18 18 VAL CB C 18 35.600 36.180 -0.580 1
1 103 . 20 1 1 A 18 18 VAL N N 18 117.500 120.111 -2.611 1
1 104 . 20 1 1 A 19 19 ASN H H 19 7.830 8.906 -1.076 1
1 105 . 20 1 1 A 19 19 ASN HA H 19 5.780 5.507 0.273 1
1 110 . 20 1 1 A 19 19 ASN C C 19 175.300 173.683 1.617 1
1 111 . 20 1 1 A 19 19 ASN CA C 19 51.000 51.857 -0.857 1
1 112 . 20 1 1 A 19 19 ASN CB C 19 39.500 42.261 -2.761 1
1 114 . 20 1 1 A 19 19 ASN N N 19 117.700 120.347 -2.647 1
1 116 . 20 1 1 A 20 20 VAL H H 20 9.140 8.167 0.973 1
1 117 . 20 1 1 A 20 20 VAL HA H 20 5.480 5.124 0.356 1
1 125 . 20 1 1 A 20 20 VAL C C 20 174.900 174.606 0.294 1
1 126 . 20 1 1 A 20 20 VAL CA C 20 61.100 60.579 0.521 1
1 127 . 20 1 1 A 20 20 VAL CB C 20 35.000 34.425 0.575 1
1 130 . 20 1 1 A 20 20 VAL N N 20 120.600 124.286 -3.686 1
1 131 . 20 1 1 A 21 21 SER H H 21 9.700 8.881 0.819 1
1 132 . 20 1 1 A 21 21 SER HA H 21 4.930 5.368 -0.438 1
1 135 . 20 1 1 A 21 21 SER C C 21 172.900 172.778 0.122 1
1 136 . 20 1 1 A 21 21 SER CA C 21 57.300 57.215 0.085 1
1 137 . 20 1 1 A 21 21 SER CB C 21 66.900 66.394 0.506 1
1 138 . 20 1 1 A 21 21 SER N N 21 125.600 122.506 3.094 1
1 139 . 20 1 1 A 22 22 ASN H H 22 9.800 8.852 0.948 1
1 140 . 20 1 1 A 22 22 ASN HA H 22 5.240 5.259 -0.019 1
1 145 . 20 1 1 A 22 22 ASN C C 22 174.200 175.583 -1.383 1
1 146 . 20 1 1 A 22 22 ASN CA C 22 53.500 51.821 1.679 1
1 147 . 20 1 1 A 22 22 ASN CB C 22 43.000 40.814 2.186 1
1 149 . 20 1 1 A 22 22 ASN N N 22 116.100 120.831 -4.731 1
1 151 . 20 1 1 A 23 23 SER H H 23 8.200 8.542 -0.342 1
1 152 . 20 1 1 A 23 23 SER HA H 23 4.370 4.354 0.016 1
1 155 . 20 1 1 A 23 23 SER CA C 23 59.700 61.368 -1.668 1
1 156 . 20 1 1 A 23 23 SER CB C 23 64.500 63.138 1.362 1
1 157 . 20 1 1 A 23 23 SER N N 23 111.800 120.525 -8.725 1
1 158 . 20 1 1 A 24 24 HIS H H 24 9.070 8.097 0.973 1
1 159 . 20 1 1 A 24 24 HIS HA H 24 4.790 4.377 0.413 1
1 164 . 20 1 1 A 24 24 HIS C C 24 175.100 175.485 -0.385 1
1 165 . 20 1 1 A 24 24 HIS CA C 24 57.000 58.289 -1.289 1
1 166 . 20 1 1 A 24 24 HIS CB C 24 31.300 29.990 1.310 1
1 169 . 20 1 1 A 24 24 HIS N N 24 121.900 118.224 3.676 1
1 171 . 20 1 1 A 25 25 ASN H H 25 8.420 7.993 0.427 1
1 172 . 20 1 1 A 25 25 ASN HA H 25 4.710 4.591 0.119 1
1 177 . 20 1 1 A 25 25 ASN C C 25 173.900 176.220 -2.320 1
1 178 . 20 1 1 A 25 25 ASN CA C 25 52.800 53.181 -0.381 1
1 179 . 20 1 1 A 25 25 ASN CB C 25 39.500 39.048 0.452 1
1 181 . 20 1 1 A 25 25 ASN N N 25 119.300 116.002 3.298 1
1 183 . 20 1 1 A 26 26 ASP H H 26 8.130 8.638 -0.508 1
1 184 . 20 1 1 A 26 26 ASP HA H 26 4.660 4.667 -0.007 1
1 187 . 20 1 1 A 26 26 ASP C C 26 176.300 176.133 0.167 1
1 188 . 20 1 1 A 26 26 ASP CA C 26 53.600 53.881 -0.281 1
1 189 . 20 1 1 A 26 26 ASP CB C 26 40.900 40.433 0.467 1
1 190 . 20 1 1 A 26 26 ASP N N 26 115.800 118.058 -2.258 1
1 191 . 20 1 1 A 27 27 ALA H H 27 8.330 7.100 1.230 1
1 192 . 20 1 1 A 27 27 ALA HA H 27 4.210 4.163 0.047 1
1 196 . 20 1 1 A 27 27 ALA C C 27 178.500 176.947 1.553 1
1 197 . 20 1 1 A 27 27 ALA CA C 27 53.100 52.781 0.319 1
1 198 . 20 1 1 A 27 27 ALA CB C 27 19.200 19.144 0.056 1
1 199 . 20 1 1 A 27 27 ALA N N 27 124.500 123.286 1.214 1
1 200 . 20 1 1 A 28 28 VAL H H 28 8.310 8.546 -0.236 1
1 201 . 20 1 1 A 28 28 VAL HA H 28 4.360 4.562 -0.202 1
1 209 . 20 1 1 A 28 28 VAL CA C 28 61.000 60.311 0.689 1
1 210 . 20 1 1 A 28 28 VAL CB C 28 35.000 34.648 0.352 1
1 213 . 20 1 1 A 28 28 VAL N N 28 124.500 123.494 1.006 1
1 214 . 20 1 1 A 29 29 ALA H H 29 8.460 8.490 -0.030 1
1 215 . 20 1 1 A 29 29 ALA HA H 29 4.590 5.355 -0.765 1
1 219 . 20 1 1 A 29 29 ALA C C 29 175.800 175.951 -0.151 1
1 220 . 20 1 1 A 29 29 ALA CA C 29 50.400 49.823 0.577 1
1 221 . 20 1 1 A 29 29 ALA CB C 29 20.100 21.490 -1.390 1
1 222 . 20 1 1 A 30 30 PHE H H 30 8.640 8.883 -0.243 1
1 223 . 20 1 1 A 30 30 PHE HA H 30 4.870 4.880 -0.010 1
1 231 . 20 1 1 A 30 30 PHE C C 30 175.800 175.537 0.263 1
1 232 . 20 1 1 A 30 30 PHE CA C 30 57.300 56.493 0.807 1
1 233 . 20 1 1 A 30 30 PHE CB C 30 41.600 41.795 -0.195 1
1 239 . 20 1 1 A 30 30 PHE N N 30 122.100 119.757 2.343 1
1 240 . 20 1 1 A 31 31 GLU H H 31 8.670 8.937 -0.267 1
1 241 . 20 1 1 A 31 31 GLU HA H 31 3.530 3.852 -0.322 1
1 246 . 20 1 1 A 31 31 GLU C C 31 174.700 174.809 -0.109 1
1 247 . 20 1 1 A 31 31 GLU CA C 31 57.200 57.242 -0.042 1
1 248 . 20 1 1 A 31 31 GLU CB C 31 27.600 27.825 -0.225 1
1 250 . 20 1 1 A 31 31 GLU N N 31 118.900 120.269 -1.369 1
1 251 . 20 1 1 A 32 32 VAL H H 32 9.100 7.588 1.512 1
1 252 . 20 1 1 A 32 32 VAL HA H 32 3.770 4.455 -0.685 1
1 260 . 20 1 1 A 32 32 VAL C C 32 175.400 175.101 0.299 1
1 261 . 20 1 1 A 32 32 VAL CA C 32 62.900 61.224 1.676 1
1 262 . 20 1 1 A 32 32 VAL CB C 32 32.200 32.421 -0.221 1
1 265 . 20 1 1 A 32 32 VAL N N 32 122.300 118.168 4.132 1
1 266 . 20 1 1 A 33 33 LYS H H 33 8.330 8.582 -0.252 1
1 267 . 20 1 1 A 33 33 LYS HA H 33 4.980 4.976 0.004 1
1 276 . 20 1 1 A 33 33 LYS C C 33 176.300 175.687 0.613 1
1 277 . 20 1 1 A 33 33 LYS CA C 33 55.700 55.849 -0.149 1
1 278 . 20 1 1 A 33 33 LYS CB C 33 33.500 33.208 0.292 1
1 282 . 20 1 1 A 33 33 LYS N N 33 128.300 126.209 2.091 1
1 283 . 20 1 1 A 34 34 LEU H H 34 9.140 8.934 0.206 1
1 284 . 20 1 1 A 34 34 LEU HA H 34 4.750 5.062 -0.312 1
1 294 . 20 1 1 A 34 34 LEU C C 34 175.000 176.243 -1.243 1
1 295 . 20 1 1 A 34 34 LEU CA C 34 52.900 53.565 -0.665 1
1 296 . 20 1 1 A 34 34 LEU CB C 34 46.700 45.829 0.871 1
1 300 . 20 1 1 A 34 34 LEU N N 34 126.700 124.196 2.504 1
1 301 . 20 1 1 A 35 35 ALA H H 35 8.650 8.948 -0.298 1
1 302 . 20 1 1 A 35 35 ALA HA H 35 4.100 4.327 -0.227 1
1 306 . 20 1 1 A 35 35 ALA C C 35 178.000 178.383 -0.383 1
1 307 . 20 1 1 A 35 35 ALA CA C 35 52.300 52.497 -0.197 1
1 308 . 20 1 1 A 35 35 ALA CB C 35 19.100 19.047 0.053 1
1 309 . 20 1 1 A 35 35 ALA N N 35 126.600 126.107 0.493 1
1 310 . 20 1 1 A 36 36 LYS H H 36 8.230 8.633 -0.403 1
1 311 . 20 1 1 A 36 36 LYS HA H 36 3.710 3.969 -0.259 1
1 320 . 20 1 1 A 36 36 LYS C C 36 176.000 178.321 -2.321 1
1 321 . 20 1 1 A 36 36 LYS CA C 36 59.800 59.967 -0.167 1
1 322 . 20 1 1 A 36 36 LYS CB C 36 33.200 32.227 0.973 1
1 326 . 20 1 1 A 36 36 LYS N N 36 119.200 125.475 -6.275 1
1 327 . 20 1 1 A 37 37 ASP H H 37 8.060 7.893 0.167 1
1 328 . 20 1 1 A 37 37 ASP HA H 37 4.470 4.523 -0.053 1
1 331 . 20 1 1 A 37 37 ASP C C 37 176.800 176.577 0.223 1
1 332 . 20 1 1 A 37 37 ASP CA C 37 53.000 55.219 -2.219 1
1 333 . 20 1 1 A 37 37 ASP CB C 37 39.700 40.543 -0.843 1
1 334 . 20 1 1 A 37 37 ASP N N 37 112.700 119.000 -6.300 1
1 335 . 20 1 1 A 38 38 LEU H H 38 7.170 7.087 0.083 1
1 336 . 20 1 1 A 38 38 LEU HA H 38 4.280 4.238 0.042 1
1 346 . 20 1 1 A 38 38 LEU C C 38 177.600 177.312 0.288 1
1 347 . 20 1 1 A 38 38 LEU CA C 38 55.800 55.146 0.654 1
1 348 . 20 1 1 A 38 38 LEU CB C 38 43.900 42.596 1.304 1
1 352 . 20 1 1 A 38 38 LEU N N 38 122.100 122.358 -0.258 1
1 353 . 20 1 1 A 39 39 THR H H 39 8.430 8.471 -0.041 1
1 354 . 20 1 1 A 39 39 THR HA H 39 5.010 4.828 0.182 1
1 360 . 20 1 1 A 39 39 THR C C 39 176.500 176.290 0.210 1
1 361 . 20 1 1 A 39 39 THR CA C 39 60.900 60.505 0.395 1
1 362 . 20 1 1 A 39 39 THR CB C 39 71.200 71.331 -0.131 1
1 364 . 20 1 1 A 39 39 THR N N 39 112.800 114.943 -2.143 1
1 365 . 20 1 1 A 40 40 VAL H H 40 8.740 8.423 0.317 1
1 366 . 20 1 1 A 40 40 VAL HA H 40 3.530 3.693 -0.163 1
1 374 . 20 1 1 A 40 40 VAL C C 40 178.200 177.326 0.874 1
1 375 . 20 1 1 A 40 40 VAL CA C 40 67.300 66.713 0.587 1
1 376 . 20 1 1 A 40 40 VAL CB C 40 31.600 31.725 -0.125 1
1 379 . 20 1 1 A 40 40 VAL N N 40 123.600 122.299 1.301 1
1 380 . 20 1 1 A 41 41 ALA H H 41 8.520 8.229 0.291 1
1 381 . 20 1 1 A 41 41 ALA HA H 41 3.950 3.928 0.022 1
1 385 . 20 1 1 A 41 41 ALA C C 41 180.700 179.981 0.719 1
1 386 . 20 1 1 A 41 41 ALA CA C 41 56.100 55.804 0.296 1
1 387 . 20 1 1 A 41 41 ALA CB C 41 18.800 18.540 0.260 1
1 388 . 20 1 1 A 41 41 ALA N N 41 121.400 122.240 -0.840 1
1 389 . 20 1 1 A 42 42 GLN H H 42 7.740 8.003 -0.263 1
1 390 . 20 1 1 A 42 42 GLN HA H 42 4.060 4.049 0.011 1
1 397 . 20 1 1 A 42 42 GLN C C 42 180.300 178.662 1.638 1
1 398 . 20 1 1 A 42 42 GLN CA C 42 58.600 58.819 -0.219 1
1 399 . 20 1 1 A 42 42 GLN CB C 42 29.200 28.565 0.635 1
1 402 . 20 1 1 A 42 42 GLN N N 42 117.500 118.200 -0.700 1
1 404 . 20 1 1 A 43 43 LEU H H 43 9.210 7.959 1.251 1
1 405 . 20 1 1 A 43 43 LEU HA H 43 3.940 4.123 -0.183 1
1 415 . 20 1 1 A 43 43 LEU C C 43 178.300 178.765 -0.465 1
1 416 . 20 1 1 A 43 43 LEU CA C 43 57.900 57.749 0.151 1
1 417 . 20 1 1 A 43 43 LEU CB C 43 41.300 41.711 -0.411 1
1 421 . 20 1 1 A 43 43 LEU N N 43 123.000 121.867 1.133 1
1 422 . 20 1 1 A 44 44 LYS H H 44 8.740 7.984 0.756 1
1 423 . 20 1 1 A 44 44 LYS HA H 44 3.860 3.964 -0.104 1
1 432 . 20 1 1 A 44 44 LYS C C 44 178.300 179.185 -0.885 1
1 433 . 20 1 1 A 44 44 LYS CA C 44 61.100 59.332 1.768 1
1 434 . 20 1 1 A 44 44 LYS CB C 44 32.800 32.261 0.539 1
1 438 . 20 1 1 A 44 44 LYS N N 44 119.300 118.807 0.493 1
1 439 . 20 1 1 A 45 45 THR H H 45 7.440 7.804 -0.364 1
1 440 . 20 1 1 A 45 45 THR HA H 45 3.930 3.854 0.076 1
1 445 . 20 1 1 A 45 45 THR C C 45 176.700 176.513 0.187 1
1 446 . 20 1 1 A 45 45 THR CA C 45 67.100 67.195 -0.095 1
1 447 . 20 1 1 A 45 45 THR CB C 45 68.800 68.337 0.463 1
1 449 . 20 1 1 A 45 45 THR N N 45 114.000 118.176 -4.176 1
1 450 . 20 1 1 A 46 46 LYS H H 46 7.500 7.767 -0.267 1
1 451 . 20 1 1 A 46 46 LYS HA H 46 4.100 3.997 0.103 1
1 460 . 20 1 1 A 46 46 LYS C C 46 179.700 179.590 0.110 1
1 461 . 20 1 1 A 46 46 LYS CA C 46 59.400 59.867 -0.467 1
1 462 . 20 1 1 A 46 46 LYS CB C 46 32.100 32.341 -0.241 1
1 466 . 20 1 1 A 46 46 LYS N N 46 121.700 120.387 1.313 1
1 467 . 20 1 1 A 47 47 LEU H H 47 9.010 8.472 0.538 1
1 468 . 20 1 1 A 47 47 LEU HA H 47 4.040 3.957 0.083 1
1 478 . 20 1 1 A 47 47 LEU C C 47 180.000 178.616 1.384 1
1 479 . 20 1 1 A 47 47 LEU CA C 47 57.200 57.989 -0.789 1
1 480 . 20 1 1 A 47 47 LEU CB C 47 40.700 41.334 -0.634 1
1 484 . 20 1 1 A 47 47 LEU N N 47 118.000 119.732 -1.732 1
1 485 . 20 1 1 A 48 48 GLU H H 48 8.450 8.764 -0.314 1
1 486 . 20 1 1 A 48 48 GLU HA H 48 4.050 3.981 0.069 1
1 491 . 20 1 1 A 48 48 GLU C C 48 178.800 179.305 -0.505 1
1 492 . 20 1 1 A 48 48 GLU CA C 48 59.700 59.541 0.159 1
1 493 . 20 1 1 A 48 48 GLU CB C 48 29.400 29.515 -0.115 1
1 495 . 20 1 1 A 48 48 GLU N N 48 126.300 119.849 6.451 1
1 496 . 20 1 1 A 49 49 ILE H H 49 7.180 7.655 -0.475 1
1 497 . 20 1 1 A 49 49 ILE HA H 49 3.780 3.668 0.112 1
1 507 . 20 1 1 A 49 49 ILE C C 49 178.000 178.163 -0.163 1
1 508 . 20 1 1 A 49 49 ILE CA C 49 64.000 65.508 -1.508 1
1 509 . 20 1 1 A 49 49 ILE CB C 49 38.100 37.702 0.398 1
1 513 . 20 1 1 A 49 49 ILE N N 49 119.600 119.722 -0.122 1
1 514 . 20 1 1 A 50 50 LEU H H 50 7.520 7.903 -0.383 1
1 515 . 20 1 1 A 50 50 LEU HA H 50 4.160 3.949 0.211 1
1 525 . 20 1 1 A 50 50 LEU C C 50 178.400 178.603 -0.203 1
1 526 . 20 1 1 A 50 50 LEU CA C 50 57.500 58.113 -0.613 1
1 527 . 20 1 1 A 50 50 LEU CB C 50 44.300 41.674 2.626 1
1 531 . 20 1 1 A 50 50 LEU N N 50 116.800 121.308 -4.508 1
1 532 . 20 1 1 A 51 51 THR H H 51 8.160 8.403 -0.243 1
1 533 . 20 1 1 A 51 51 THR HA H 51 4.490 4.423 0.067 1
1 538 . 20 1 1 A 51 51 THR C C 51 175.600 176.054 -0.454 1
1 539 . 20 1 1 A 51 51 THR CA C 51 62.400 62.324 0.076 1
1 540 . 20 1 1 A 51 51 THR CB C 51 72.900 70.684 2.216 1
1 542 . 20 1 1 A 51 51 THR N N 51 104.100 107.212 -3.112 1
1 543 . 20 1 1 A 52 52 GLY H H 52 8.080 8.538 -0.458 1
1 544 . 20 1 1 A 52 52 GLY HA2 H 52 3.830 3.937 -0.107 1
1 545 . 20 1 1 A 52 52 GLY HA3 H 52 4.250 3.938 0.312 1
1 546 . 20 1 1 A 52 52 GLY C C 52 174.800 174.610 0.190 1
1 547 . 20 1 1 A 52 52 GLY CA C 52 45.500 45.754 -0.254 1
1 548 . 20 1 1 A 52 52 GLY N N 52 112.100 112.339 -0.239 1
1 549 . 20 1 1 A 53 53 GLY H H 53 7.880 7.638 0.242 1
1 550 . 20 1 1 A 53 53 GLY HA2 H 53 3.220 3.987 -0.767 1
1 551 . 20 1 1 A 53 53 GLY HA3 H 53 4.040 4.003 0.037 1
1 552 . 20 1 1 A 53 53 GLY C C 53 170.900 172.540 -1.640 1
1 553 . 20 1 1 A 53 53 GLY CA C 53 44.300 44.140 0.160 1
1 554 . 20 1 1 A 53 53 GLY N N 53 107.000 108.043 -1.043 1
1 555 . 20 1 1 A 54 54 CYS H H 54 8.690 8.305 0.385 1
1 556 . 20 1 1 A 54 54 CYS HA H 54 4.430 4.967 -0.537 1
1 559 . 20 1 1 A 54 54 CYS C C 54 176.100 176.244 -0.144 1
1 560 . 20 1 1 A 54 54 CYS CA C 54 57.900 57.495 0.405 1
1 561 . 20 1 1 A 54 54 CYS CB C 54 27.800 30.068 -2.268 1
1 562 . 20 1 1 A 54 54 CYS N N 54 120.200 118.889 1.311 1
1 563 . 20 1 1 A 55 55 ALA H H 55 10.100 9.053 1.047 1
1 564 . 20 1 1 A 55 55 ALA HA H 55 3.890 3.932 -0.042 1
1 568 . 20 1 1 A 55 55 ALA C C 55 178.900 179.649 -0.749 1
1 569 . 20 1 1 A 55 55 ALA CA C 55 55.700 55.131 0.569 1
1 570 . 20 1 1 A 55 55 ALA CB C 55 18.500 18.398 0.102 1
1 571 . 20 1 1 A 55 55 ALA N N 55 133.900 130.148 3.752 1
1 572 . 20 1 1 A 56 56 GLY H H 56 8.380 8.326 0.054 1
1 573 . 20 1 1 A 56 56 GLY HA2 H 56 3.910 3.731 0.179 1
1 574 . 20 1 1 A 56 56 GLY HA3 H 56 3.910 3.731 0.179 1
1 575 . 20 1 1 A 56 56 GLY C C 56 174.600 175.142 -0.542 1
1 576 . 20 1 1 A 56 56 GLY CA C 56 45.900 47.058 -1.158 1
1 577 . 20 1 1 A 56 56 GLY N N 56 104.300 105.635 -1.335 1
1 578 . 20 1 1 A 57 57 THR H H 57 7.310 7.548 -0.238 1
1 579 . 20 1 1 A 57 57 THR HA H 57 4.520 4.382 0.138 1
1 584 . 20 1 1 A 57 57 THR C C 57 175.500 174.384 1.116 1
1 585 . 20 1 1 A 57 57 THR CA C 57 61.400 62.219 -0.819 1
1 586 . 20 1 1 A 57 57 THR CB C 57 69.900 69.300 0.600 1
1 588 . 20 1 1 A 57 57 THR N N 57 107.700 110.554 -2.854 1
1 589 . 20 1 1 A 58 58 MET H H 58 7.910 7.429 0.481 1
1 590 . 20 1 1 A 58 58 MET HA H 58 4.540 4.525 0.015 1
1 598 . 20 1 1 A 58 58 MET C C 58 175.100 175.989 -0.889 1
1 599 . 20 1 1 A 58 58 MET CA C 58 56.900 55.151 1.749 1
1 600 . 20 1 1 A 58 58 MET CB C 58 33.700 33.651 0.049 1
1 603 . 20 1 1 A 58 58 MET N N 58 120.700 123.259 -2.559 1
1 604 . 20 1 1 A 59 59 LYS H H 59 8.780 8.489 0.291 1
1 605 . 20 1 1 A 59 59 LYS HA H 59 4.610 5.250 -0.640 1
1 614 . 20 1 1 A 59 59 LYS C C 59 174.500 174.821 -0.321 1
1 615 . 20 1 1 A 59 59 LYS CA C 59 54.500 54.712 -0.212 1
1 616 . 20 1 1 A 59 59 LYS CB C 59 34.700 36.519 -1.819 1
1 620 . 20 1 1 A 59 59 LYS N N 59 122.400 125.297 -2.897 1
1 621 . 20 1 1 A 60 60 VAL H H 60 8.740 8.705 0.035 1
1 622 . 20 1 1 A 60 60 VAL HA H 60 4.700 4.931 -0.231 1
1 630 . 20 1 1 A 60 60 VAL C C 60 175.000 175.259 -0.259 1
1 631 . 20 1 1 A 60 60 VAL CA C 60 61.300 60.935 0.365 1
1 632 . 20 1 1 A 60 60 VAL CB C 60 33.400 34.102 -0.702 1
1 635 . 20 1 1 A 60 60 VAL N N 60 122.100 123.017 -0.917 1
1 636 . 20 1 1 A 61 61 GLN H H 61 9.250 8.707 0.543 1
1 637 . 20 1 1 A 61 61 GLN HA H 61 4.790 4.910 -0.120 1
1 644 . 20 1 1 A 61 61 GLN C C 61 174.700 174.561 0.139 1
1 645 . 20 1 1 A 61 61 GLN CA C 61 54.200 54.039 0.161 1
1 646 . 20 1 1 A 61 61 GLN CB C 61 32.800 32.044 0.756 1
1 649 . 20 1 1 A 61 61 GLN N N 61 126.400 125.968 0.432 1
1 651 . 20 1 1 A 62 62 VAL H H 62 8.690 8.358 0.332 1
1 652 . 20 1 1 A 62 62 VAL HA H 62 4.650 4.514 0.136 1
1 660 . 20 1 1 A 62 62 VAL C C 62 174.700 175.039 -0.339 1
1 661 . 20 1 1 A 62 62 VAL CA C 62 61.800 61.830 -0.030 1
1 662 . 20 1 1 A 62 62 VAL CB C 62 32.500 31.918 0.582 1
1 665 . 20 1 1 A 62 62 VAL N N 62 121.700 123.384 -1.684 1
1 666 . 20 1 1 A 63 63 PHE H H 63 10.020 9.103 0.917 1
1 667 . 20 1 1 A 63 63 PHE HA H 63 5.170 5.220 -0.050 1
1 675 . 20 1 1 A 63 63 PHE C C 63 175.100 174.567 0.533 1
1 676 . 20 1 1 A 63 63 PHE CA C 63 56.800 55.851 0.949 1
1 677 . 20 1 1 A 63 63 PHE CB C 63 42.900 43.538 -0.638 1
1 683 . 20 1 1 A 63 63 PHE N N 63 127.100 126.116 0.984 1
1 684 . 20 1 1 A 64 64 LYS H H 64 8.710 8.458 0.252 1
1 685 . 20 1 1 A 64 64 LYS HA H 64 4.650 4.659 -0.009 1
1 694 . 20 1 1 A 64 64 LYS C C 64 176.900 176.538 0.362 1
1 695 . 20 1 1 A 64 64 LYS CA C 64 55.100 54.951 0.149 1
1 696 . 20 1 1 A 64 64 LYS CB C 64 34.100 33.445 0.655 1
1 700 . 20 1 1 A 64 64 LYS N N 64 123.900 123.767 0.133 1
1 701 . 20 1 1 A 65 65 GLY H H 65 9.160 8.970 0.190 1
1 702 . 20 1 1 A 65 65 GLY HA2 H 65 3.680 3.866 -0.186 1
1 703 . 20 1 1 A 65 65 GLY HA3 H 65 4.050 3.872 0.178 1
1 704 . 20 1 1 A 65 65 GLY C C 65 174.600 174.589 0.011 1
1 705 . 20 1 1 A 65 65 GLY CA C 65 47.200 46.340 0.860 1
1 706 . 20 1 1 A 65 65 GLY N N 65 118.800 115.119 3.681 1
1 707 . 20 1 1 A 66 66 ASP H H 66 8.760 8.670 0.090 1
1 708 . 20 1 1 A 66 66 ASP HA H 66 4.700 4.750 -0.050 1
1 711 . 20 1 1 A 66 66 ASP C C 66 176.000 174.904 1.096 1
1 712 . 20 1 1 A 66 66 ASP CA C 66 54.300 54.135 0.165 1
1 713 . 20 1 1 A 66 66 ASP CB C 66 41.300 41.176 0.124 1
1 714 . 20 1 1 A 66 66 ASP N N 66 126.400 126.574 -0.174 1
1 715 . 20 1 1 A 67 67 THR H H 67 8.020 7.603 0.417 1
1 716 . 20 1 1 A 67 67 THR HA H 67 4.300 4.961 -0.661 1
1 721 . 20 1 1 A 67 67 THR C C 67 172.100 173.389 -1.289 1
1 722 . 20 1 1 A 67 67 THR CA C 67 62.400 61.372 1.028 1
1 723 . 20 1 1 A 67 67 THR CB C 67 70.700 71.371 -0.671 1
1 725 . 20 1 1 A 67 67 THR N N 67 117.500 115.298 2.202 1
1 726 . 20 1 1 A 68 68 CYS H H 68 8.940 8.755 0.185 1
1 727 . 20 1 1 A 68 68 CYS HA H 68 3.400 4.498 -1.098 1
1 730 . 20 1 1 A 68 68 CYS C C 68 174.900 175.450 -0.550 1
1 731 . 20 1 1 A 68 68 CYS CA C 68 58.700 59.010 -0.310 1
1 732 . 20 1 1 A 68 68 CYS CB C 68 25.600 28.270 -2.670 1
1 733 . 20 1 1 A 68 68 CYS N N 68 129.500 125.092 4.408 1
1 734 . 20 1 1 A 69 69 VAL H H 69 9.090 8.347 0.743 1
1 735 . 20 1 1 A 69 69 VAL HA H 69 4.150 3.938 0.212 1
1 743 . 20 1 1 A 69 69 VAL C C 69 176.300 176.121 0.179 1
1 744 . 20 1 1 A 69 69 VAL CA C 69 62.900 64.122 -1.222 1
1 745 . 20 1 1 A 69 69 VAL CB C 69 32.800 32.545 0.255 1
1 748 . 20 1 1 A 69 69 VAL N N 69 127.500 127.840 -0.340 1
1 749 . 20 1 1 A 70 70 SER H H 70 7.640 7.527 0.113 1
1 750 . 20 1 1 A 70 70 SER HA H 70 4.550 4.629 -0.079 1
1 753 . 20 1 1 A 70 70 SER C C 70 172.300 171.613 0.687 1
1 754 . 20 1 1 A 70 70 SER CA C 70 58.700 57.551 1.149 1
1 755 . 20 1 1 A 70 70 SER CB C 70 65.100 65.227 -0.127 1
1 756 . 20 1 1 A 70 70 SER N N 70 113.400 110.442 2.958 1
1 757 . 20 1 1 A 71 71 THR H H 71 8.220 8.486 -0.266 1
1 758 . 20 1 1 A 71 71 THR HA H 71 4.580 4.737 -0.157 1
1 763 . 20 1 1 A 71 71 THR C C 71 174.000 174.385 -0.385 1
1 764 . 20 1 1 A 71 71 THR CA C 71 61.800 61.172 0.628 1
1 765 . 20 1 1 A 71 71 THR CB C 71 70.500 70.730 -0.230 1
1 767 . 20 1 1 A 71 71 THR N N 71 114.500 115.339 -0.839 1
1 768 . 20 1 1 A 72 72 MET H H 72 8.260 8.447 -0.187 1
1 769 . 20 1 1 A 72 72 MET HA H 72 2.990 3.952 -0.962 1
1 777 . 20 1 1 A 72 72 MET C C 72 175.700 175.926 -0.226 1
1 778 . 20 1 1 A 72 72 MET CA C 72 55.100 53.972 1.128 1
1 779 . 20 1 1 A 72 72 MET CB C 72 30.200 30.546 -0.346 1
1 782 . 20 1 1 A 72 72 MET N N 72 121.800 125.169 -3.369 1
1 783 . 20 1 1 A 73 73 ASP H H 73 7.830 8.789 -0.959 1
1 784 . 20 1 1 A 73 73 ASP HA H 73 4.370 4.663 -0.293 1
1 787 . 20 1 1 A 73 73 ASP C C 73 175.100 175.756 -0.656 1
1 788 . 20 1 1 A 73 73 ASP CA C 73 55.800 55.220 0.580 1
1 789 . 20 1 1 A 73 73 ASP CB C 73 41.800 41.916 -0.116 1
1 790 . 20 1 1 A 73 73 ASP N N 73 125.100 125.672 -0.572 1
1 791 . 20 1 1 A 74 74 ASN H H 74 7.480 7.751 -0.271 1
1 792 . 20 1 1 A 74 74 ASN HA H 74 4.890 4.770 0.120 1
1 797 . 20 1 1 A 74 74 ASN C C 74 175.800 175.736 0.064 1
1 798 . 20 1 1 A 74 74 ASN CA C 74 51.600 52.391 -0.791 1
1 799 . 20 1 1 A 74 74 ASN CB C 74 38.800 38.941 -0.141 1
1 801 . 20 1 1 A 74 74 ASN N N 74 116.400 117.885 -1.485 1
1 803 . 20 1 1 A 75 75 ASN H H 75 8.870 8.894 -0.024 1
1 804 . 20 1 1 A 75 75 ASN HA H 75 4.390 4.522 -0.132 1
1 809 . 20 1 1 A 75 75 ASN C C 75 175.700 176.686 -0.986 1
1 810 . 20 1 1 A 75 75 ASN CA C 75 55.600 55.584 0.016 1
1 811 . 20 1 1 A 75 75 ASN CB C 75 39.200 38.425 0.775 1
1 813 . 20 1 1 A 75 75 ASN N N 75 123.600 124.525 -0.925 1
1 815 . 20 1 1 A 76 76 ASP H H 76 8.060 7.917 0.143 1
1 816 . 20 1 1 A 76 76 ASP HA H 76 4.750 4.638 0.112 1
1 819 . 20 1 1 A 76 76 ASP C C 76 176.200 176.186 0.014 1
1 820 . 20 1 1 A 76 76 ASP CA C 76 54.200 54.893 -0.693 1
1 821 . 20 1 1 A 76 76 ASP CB C 76 41.700 40.970 0.730 1
1 822 . 20 1 1 A 76 76 ASP N N 76 115.100 117.358 -2.258 1
1 823 . 20 1 1 A 77 77 ALA H H 77 7.140 7.337 -0.197 1
1 824 . 20 1 1 A 77 77 ALA HA H 77 4.160 4.119 0.041 1
1 828 . 20 1 1 A 77 77 ALA C C 77 176.100 177.412 -1.312 1
1 829 . 20 1 1 A 77 77 ALA CA C 77 51.400 51.622 -0.222 1
1 830 . 20 1 1 A 77 77 ALA CB C 77 20.100 20.261 -0.161 1
1 831 . 20 1 1 A 77 77 ALA N N 77 122.600 122.796 -0.196 1
1 832 . 20 1 1 A 78 78 GLN H H 78 8.090 8.975 -0.885 1
1 833 . 20 1 1 A 78 78 GLN HA H 78 4.750 4.468 0.282 1
1 840 . 20 1 1 A 78 78 GLN C C 78 177.900 177.673 0.227 1
1 841 . 20 1 1 A 78 78 GLN CA C 78 55.200 55.402 -0.202 1
1 842 . 20 1 1 A 78 78 GLN CB C 78 29.500 29.509 -0.009 1
1 845 . 20 1 1 A 78 78 GLN N N 78 116.500 120.346 -3.846 1
1 847 . 20 1 1 A 79 79 LEU H H 79 9.380 9.354 0.026 1
1 848 . 20 1 1 A 79 79 LEU HA H 79 4.060 4.180 -0.120 1
1 858 . 20 1 1 A 79 79 LEU C C 79 179.200 179.091 0.109 1
1 859 . 20 1 1 A 79 79 LEU CA C 79 58.900 58.043 0.857 1
1 860 . 20 1 1 A 79 79 LEU CB C 79 42.000 41.627 0.373 1
1 864 . 20 1 1 A 79 79 LEU N N 79 123.800 126.317 -2.517 1
1 865 . 20 1 1 A 80 80 GLY H H 80 9.130 7.949 1.181 1
1 866 . 20 1 1 A 80 80 GLY HA2 H 80 3.750 3.949 -0.199 1
1 867 . 20 1 1 A 80 80 GLY HA3 H 80 4.160 3.969 0.191 1
1 868 . 20 1 1 A 80 80 GLY C C 80 174.100 174.953 -0.853 1
1 869 . 20 1 1 A 80 80 GLY CA C 80 45.600 46.228 -0.628 1
1 870 . 20 1 1 A 80 80 GLY N N 80 104.000 106.233 -2.233 1
1 871 . 20 1 1 A 81 81 TYR H H 81 7.900 8.075 -0.175 1
1 872 . 20 1 1 A 81 81 TYR HA H 81 4.000 3.939 0.061 1
1 879 . 20 1 1 A 81 81 TYR C C 81 176.300 176.663 -0.363 1
1 880 . 20 1 1 A 81 81 TYR CA C 81 60.600 60.716 -0.116 1
1 881 . 20 1 1 A 81 81 TYR CB C 81 38.700 38.309 0.391 1
1 886 . 20 1 1 A 81 81 TYR N N 81 120.300 122.494 -2.194 1
1 887 . 20 1 1 A 82 82 TYR H H 82 7.430 7.778 -0.348 1
1 888 . 20 1 1 A 82 82 TYR HA H 82 4.340 4.615 -0.275 1
1 895 . 20 1 1 A 82 82 TYR C C 82 175.500 176.159 -0.659 1
1 896 . 20 1 1 A 82 82 TYR CA C 82 58.700 58.994 -0.294 1
1 897 . 20 1 1 A 82 82 TYR CB C 82 41.500 40.114 1.386 1
1 902 . 20 1 1 A 82 82 TYR N N 82 114.000 114.472 -0.472 1
1 903 . 20 1 1 A 83 83 ALA H H 83 8.430 7.353 1.077 1
1 904 . 20 1 1 A 83 83 ALA HA H 83 4.380 4.530 -0.150 1
1 908 . 20 1 1 A 83 83 ALA C C 83 173.400 176.630 -3.230 1
1 909 . 20 1 1 A 83 83 ALA CA C 83 51.000 51.137 -0.137 1
1 910 . 20 1 1 A 83 83 ALA CB C 83 19.500 19.036 0.464 1
1 911 . 20 1 1 A 83 83 ALA N N 83 122.900 121.636 1.264 1
1 912 . 20 1 1 A 84 84 ASN H H 84 8.050 8.751 -0.701 1
1 913 . 20 1 1 A 84 84 ASN HA H 84 4.760 5.094 -0.334 1
1 918 . 20 1 1 A 84 84 ASN C C 84 174.600 174.081 0.519 1
1 919 . 20 1 1 A 84 84 ASN CA C 84 52.200 51.915 0.285 1
1 920 . 20 1 1 A 84 84 ASN CB C 84 39.300 38.633 0.667 1
1 922 . 20 1 1 A 84 84 ASN N N 84 117.300 123.784 -6.484 1
1 924 . 20 1 1 A 85 85 SER H H 85 7.180 8.222 -1.042 1
1 925 . 20 1 1 A 85 85 SER HA H 85 4.670 4.721 -0.051 1
1 928 . 20 1 1 A 85 85 SER C C 85 172.000 172.035 -0.035 1
1 929 . 20 1 1 A 85 85 SER CA C 85 56.900 56.498 0.402 1
1 930 . 20 1 1 A 85 85 SER CB C 85 66.000 64.501 1.499 1
1 931 . 20 1 1 A 85 85 SER N N 85 112.200 118.933 -6.733 1
1 932 . 20 1 1 A 86 86 ASP H H 86 8.320 8.601 -0.281 1
1 933 . 20 1 1 A 86 86 ASP HA H 86 4.920 5.024 -0.104 1
1 936 . 20 1 1 A 86 86 ASP C C 86 178.100 175.230 2.870 1
1 937 . 20 1 1 A 86 86 ASP CA C 86 55.000 53.304 1.696 1
1 938 . 20 1 1 A 86 86 ASP CB C 86 42.000 43.465 -1.465 1
1 939 . 20 1 1 A 86 86 ASP N N 86 119.100 121.996 -2.896 1
1 940 . 20 1 1 A 87 87 GLY H H 87 8.910 8.839 0.071 1
1 941 . 20 1 1 A 87 87 GLY HA2 H 87 3.850 3.875 -0.025 1
1 942 . 20 1 1 A 87 87 GLY HA3 H 87 4.110 3.881 0.229 1
1 943 . 20 1 1 A 87 87 GLY C C 87 175.400 175.170 0.230 1
1 944 . 20 1 1 A 87 87 GLY CA C 87 46.100 45.936 0.164 1
1 945 . 20 1 1 A 87 87 GLY N N 87 107.900 111.166 -3.266 1
1 946 . 20 1 1 A 88 88 LEU H H 88 8.290 7.899 0.391 1
1 947 . 20 1 1 A 88 88 LEU HA H 88 4.740 4.445 0.295 1
1 957 . 20 1 1 A 88 88 LEU C C 88 175.000 176.104 -1.104 1
1 958 . 20 1 1 A 88 88 LEU CA C 88 54.500 54.746 -0.246 1
1 959 . 20 1 1 A 88 88 LEU CB C 88 43.200 42.628 0.572 1
1 963 . 20 1 1 A 88 88 LEU N N 88 120.300 122.761 -2.461 1
1 964 . 20 1 1 A 89 89 ARG H H 89 8.880 8.517 0.363 1
1 965 . 20 1 1 A 89 89 ARG HA H 89 5.300 5.018 0.282 1
1 973 . 20 1 1 A 89 89 ARG C C 89 174.900 174.632 0.268 1
1 974 . 20 1 1 A 89 89 ARG CA C 89 53.600 54.718 -1.118 1
1 975 . 20 1 1 A 89 89 ARG CB C 89 34.300 33.325 0.975 1
1 979 . 20 1 1 A 89 89 ARG N N 89 121.200 122.777 -1.577 1
1 981 . 20 1 1 A 90 90 LEU H H 90 9.250 9.508 -0.258 1
1 982 . 20 1 1 A 90 90 LEU HA H 90 5.270 5.204 0.066 1
1 992 . 20 1 1 A 90 90 LEU C C 90 173.700 175.159 -1.459 1
1 993 . 20 1 1 A 90 90 LEU CA C 90 52.900 53.423 -0.523 1
1 994 . 20 1 1 A 90 90 LEU CB C 90 42.000 43.554 -1.554 1
1 998 . 20 1 1 A 90 90 LEU N N 90 125.500 128.497 -2.997 1
1 999 . 20 1 1 A 91 91 HIS H H 91 9.600 8.918 0.682 1
1 1000 . 20 1 1 A 91 91 HIS HA H 91 5.280 5.534 -0.254 1
1 1005 . 20 1 1 A 91 91 HIS C C 91 174.300 173.371 0.929 1
1 1006 . 20 1 1 A 91 91 HIS CA C 91 54.500 53.539 0.961 1
1 1007 . 20 1 1 A 91 91 HIS CB C 91 35.200 32.508 2.692 1
1 1010 . 20 1 1 A 91 91 HIS N N 91 124.800 124.879 -0.079 1
1 1013 . 20 1 1 A 92 92 VAL H H 92 8.300 9.326 -1.026 1
1 1014 . 20 1 1 A 92 92 VAL HA H 92 4.110 4.533 -0.423 1
1 1022 . 20 1 1 A 92 92 VAL C C 92 174.200 175.291 -1.091 1
1 1023 . 20 1 1 A 92 92 VAL CA C 92 62.900 61.818 1.082 1
1 1024 . 20 1 1 A 92 92 VAL CB C 92 32.600 32.399 0.201 1
1 1027 . 20 1 1 A 92 92 VAL N N 92 128.400 127.742 0.658 1
1 1028 . 20 1 1 A 93 93 VAL H H 93 8.950 8.955 -0.005 1
1 1029 . 20 1 1 A 93 93 VAL HA H 93 4.170 4.787 -0.617 1
1 1037 . 20 1 1 A 93 93 VAL C C 93 175.600 174.308 1.292 1
1 1038 . 20 1 1 A 93 93 VAL CA C 93 61.100 60.966 0.134 1
1 1039 . 20 1 1 A 93 93 VAL CB C 93 33.300 34.158 -0.858 1
1 1042 . 20 1 1 A 93 93 VAL N N 93 127.800 127.952 -0.152 1
1 1043 . 20 1 1 A 94 94 ASP H H 94 8.280 8.548 -0.268 1
1 1044 . 20 1 1 A 94 94 ASP HA H 94 4.850 5.250 -0.400 1
1 1047 . 20 1 1 A 94 94 ASP C C 94 174.700 175.397 -0.697 1
1 1048 . 20 1 1 A 94 94 ASP CA C 94 53.800 52.917 0.883 1
1 1049 . 20 1 1 A 94 94 ASP CB C 94 42.500 42.485 0.015 1
1 1050 . 20 1 1 A 94 94 ASP N N 94 127.100 128.257 -1.157 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 82 0.909 1
2 1 1 1 "RMS(OBS, PRED)" CA 84 0.917 1
3 1 1 1 "RMS(OBS, PRED)" CB 77 1.106 1
4 1 1 1 "RMS(OBS, PRED)" H 83 0.556 1
5 1 1 1 "RMS(OBS, PRED)" HA 89 0.305 1
6 1 1 1 "RMS(OBS, PRED)" N 82 2.960 1
7 1 2 1 "RMS(OBS, PRED)" C 82 0.928 1
8 1 2 1 "RMS(OBS, PRED)" CA 84 0.943 1
9 1 2 1 "RMS(OBS, PRED)" CB 77 1.023 1
10 1 2 1 "RMS(OBS, PRED)" H 83 0.480 1
11 1 2 1 "RMS(OBS, PRED)" HA 89 0.324 1
12 1 2 1 "RMS(OBS, PRED)" N 82 2.681 1
13 1 3 1 "RMS(OBS, PRED)" C 82 0.909 1
14 1 3 1 "RMS(OBS, PRED)" CA 84 0.854 1
15 1 3 1 "RMS(OBS, PRED)" CB 77 1.053 1
16 1 3 1 "RMS(OBS, PRED)" H 83 0.581 1
17 1 3 1 "RMS(OBS, PRED)" HA 89 0.325 1
18 1 3 1 "RMS(OBS, PRED)" N 82 2.754 1
19 1 4 1 "RMS(OBS, PRED)" C 82 0.955 1
20 1 4 1 "RMS(OBS, PRED)" CA 84 0.909 1
21 1 4 1 "RMS(OBS, PRED)" CB 77 1.048 1
22 1 4 1 "RMS(OBS, PRED)" H 83 0.582 1
23 1 4 1 "RMS(OBS, PRED)" HA 89 0.300 1
24 1 4 1 "RMS(OBS, PRED)" N 82 2.636 1
25 1 5 1 "RMS(OBS, PRED)" C 82 0.948 1
26 1 5 1 "RMS(OBS, PRED)" CA 84 0.921 1
27 1 5 1 "RMS(OBS, PRED)" CB 77 1.101 1
28 1 5 1 "RMS(OBS, PRED)" H 83 0.548 1
29 1 5 1 "RMS(OBS, PRED)" HA 89 0.310 1
30 1 5 1 "RMS(OBS, PRED)" N 82 2.863 1
31 1 6 1 "RMS(OBS, PRED)" C 82 0.850 1
32 1 6 1 "RMS(OBS, PRED)" CA 84 0.917 1
33 1 6 1 "RMS(OBS, PRED)" CB 77 0.894 1
34 1 6 1 "RMS(OBS, PRED)" H 83 0.562 1
35 1 6 1 "RMS(OBS, PRED)" HA 89 0.303 1
36 1 6 1 "RMS(OBS, PRED)" N 82 3.026 1
37 1 7 1 "RMS(OBS, PRED)" C 82 0.929 1
38 1 7 1 "RMS(OBS, PRED)" CA 84 0.925 1
39 1 7 1 "RMS(OBS, PRED)" CB 77 1.231 1
40 1 7 1 "RMS(OBS, PRED)" H 83 0.572 1
41 1 7 1 "RMS(OBS, PRED)" HA 89 0.335 1
42 1 7 1 "RMS(OBS, PRED)" N 82 2.780 1
43 1 8 1 "RMS(OBS, PRED)" C 82 0.887 1
44 1 8 1 "RMS(OBS, PRED)" CA 84 0.889 1
45 1 8 1 "RMS(OBS, PRED)" CB 77 1.062 1
46 1 8 1 "RMS(OBS, PRED)" H 83 0.564 1
47 1 8 1 "RMS(OBS, PRED)" HA 89 0.311 1
48 1 8 1 "RMS(OBS, PRED)" N 82 2.838 1
49 1 9 1 "RMS(OBS, PRED)" C 82 0.879 1
50 1 9 1 "RMS(OBS, PRED)" CA 84 0.948 1
51 1 9 1 "RMS(OBS, PRED)" CB 77 1.146 1
52 1 9 1 "RMS(OBS, PRED)" H 83 0.557 1
53 1 9 1 "RMS(OBS, PRED)" HA 89 0.337 1
54 1 9 1 "RMS(OBS, PRED)" N 82 2.586 1
55 1 10 1 "RMS(OBS, PRED)" C 82 0.960 1
56 1 10 1 "RMS(OBS, PRED)" CA 84 0.916 1
57 1 10 1 "RMS(OBS, PRED)" CB 77 1.082 1
58 1 10 1 "RMS(OBS, PRED)" H 83 0.575 1
59 1 10 1 "RMS(OBS, PRED)" HA 89 0.316 1
60 1 10 1 "RMS(OBS, PRED)" N 82 2.888 1
61 1 11 1 "RMS(OBS, PRED)" C 82 0.972 1
62 1 11 1 "RMS(OBS, PRED)" CA 84 0.914 1
63 1 11 1 "RMS(OBS, PRED)" CB 77 1.093 1
64 1 11 1 "RMS(OBS, PRED)" H 83 0.562 1
65 1 11 1 "RMS(OBS, PRED)" HA 89 0.316 1
66 1 11 1 "RMS(OBS, PRED)" N 82 2.700 1
67 1 12 1 "RMS(OBS, PRED)" C 82 0.968 1
68 1 12 1 "RMS(OBS, PRED)" CA 84 0.953 1
69 1 12 1 "RMS(OBS, PRED)" CB 77 1.002 1
70 1 12 1 "RMS(OBS, PRED)" H 83 0.600 1
71 1 12 1 "RMS(OBS, PRED)" HA 89 0.310 1
72 1 12 1 "RMS(OBS, PRED)" N 82 2.771 1
73 1 13 1 "RMS(OBS, PRED)" C 82 0.927 1
74 1 13 1 "RMS(OBS, PRED)" CA 84 0.928 1
75 1 13 1 "RMS(OBS, PRED)" CB 77 1.097 1
76 1 13 1 "RMS(OBS, PRED)" H 83 0.518 1
77 1 13 1 "RMS(OBS, PRED)" HA 89 0.328 1
78 1 13 1 "RMS(OBS, PRED)" N 82 2.952 1
79 1 14 1 "RMS(OBS, PRED)" C 82 0.947 1
80 1 14 1 "RMS(OBS, PRED)" CA 84 0.956 1
81 1 14 1 "RMS(OBS, PRED)" CB 77 0.956 1
82 1 14 1 "RMS(OBS, PRED)" H 83 0.547 1
83 1 14 1 "RMS(OBS, PRED)" HA 89 0.300 1
84 1 14 1 "RMS(OBS, PRED)" N 82 3.133 1
85 1 15 1 "RMS(OBS, PRED)" C 82 0.925 1
86 1 15 1 "RMS(OBS, PRED)" CA 84 0.850 1
87 1 15 1 "RMS(OBS, PRED)" CB 77 1.051 1
88 1 15 1 "RMS(OBS, PRED)" H 83 0.557 1
89 1 15 1 "RMS(OBS, PRED)" HA 89 0.309 1
90 1 15 1 "RMS(OBS, PRED)" N 82 2.987 1
91 1 16 1 "RMS(OBS, PRED)" C 82 0.948 1
92 1 16 1 "RMS(OBS, PRED)" CA 84 0.943 1
93 1 16 1 "RMS(OBS, PRED)" CB 77 1.007 1
94 1 16 1 "RMS(OBS, PRED)" H 83 0.549 1
95 1 16 1 "RMS(OBS, PRED)" HA 89 0.331 1
96 1 16 1 "RMS(OBS, PRED)" N 82 2.698 1
97 1 17 1 "RMS(OBS, PRED)" C 82 0.924 1
98 1 17 1 "RMS(OBS, PRED)" CA 84 0.930 1
99 1 17 1 "RMS(OBS, PRED)" CB 77 1.028 1
100 1 17 1 "RMS(OBS, PRED)" H 83 0.531 1
101 1 17 1 "RMS(OBS, PRED)" HA 89 0.299 1
102 1 17 1 "RMS(OBS, PRED)" N 82 2.751 1
103 1 18 1 "RMS(OBS, PRED)" C 82 0.891 1
104 1 18 1 "RMS(OBS, PRED)" CA 84 0.944 1
105 1 18 1 "RMS(OBS, PRED)" CB 77 0.953 1
106 1 18 1 "RMS(OBS, PRED)" H 83 0.560 1
107 1 18 1 "RMS(OBS, PRED)" HA 89 0.293 1
108 1 18 1 "RMS(OBS, PRED)" N 82 2.961 1
109 1 19 1 "RMS(OBS, PRED)" C 82 0.934 1
110 1 19 1 "RMS(OBS, PRED)" CA 84 0.893 1
111 1 19 1 "RMS(OBS, PRED)" CB 77 1.035 1
112 1 19 1 "RMS(OBS, PRED)" H 83 0.539 1
113 1 19 1 "RMS(OBS, PRED)" HA 89 0.309 1
114 1 19 1 "RMS(OBS, PRED)" N 82 2.774 1
115 1 20 1 "RMS(OBS, PRED)" C 82 0.946 1
116 1 20 1 "RMS(OBS, PRED)" CA 84 0.828 1
117 1 20 1 "RMS(OBS, PRED)" CB 77 1.020 1
118 1 20 1 "RMS(OBS, PRED)" H 83 0.570 1
119 1 20 1 "RMS(OBS, PRED)" HA 89 0.310 1
120 1 20 1 "RMS(OBS, PRED)" N 82 2.955 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 11 11 GLY C C 11 174.100 173.885 0.215 2
1 2 . 1 1 A 11 11 GLY CA C 11 45.300 45.590 -0.290 2
1 3 . 1 1 A 12 12 LYS H H 12 8.180 8.376 -0.196 2
1 4 . 1 1 A 12 12 LYS HA H 12 4.320 4.303 0.017 2
1 13 . 1 1 A 12 12 LYS C C 12 176.700 176.349 0.351 2
1 14 . 1 1 A 12 12 LYS CA C 12 56.400 56.709 -0.309 2
1 15 . 1 1 A 12 12 LYS CB C 12 33.200 32.764 0.436 2
1 19 . 1 1 A 12 12 LYS N N 12 120.600 121.636 -1.036 2
1 20 . 1 1 A 13 13 SER H H 13 8.360 8.602 -0.242 2
1 21 . 1 1 A 13 13 SER HA H 13 4.450 4.723 -0.273 2
1 24 . 1 1 A 13 13 SER C C 13 173.800 173.819 -0.019 2
1 25 . 1 1 A 13 13 SER CA C 13 58.000 58.353 -0.353 2
1 26 . 1 1 A 13 13 SER CB C 13 63.900 63.520 0.380 2
1 27 . 1 1 A 13 13 SER N N 13 116.300 117.388 -1.088 2
1 28 . 1 1 A 14 14 ASP H H 14 8.450 8.505 -0.055 2
1 29 . 1 1 A 14 14 ASP HA H 14 4.670 4.731 -0.061 2
1 32 . 1 1 A 14 14 ASP C C 14 175.100 174.569 0.532 2
1 33 . 1 1 A 14 14 ASP CA C 14 54.400 53.641 0.759 2
1 34 . 1 1 A 14 14 ASP CB C 14 41.500 40.585 0.915 2
1 35 . 1 1 A 14 14 ASP N N 14 122.400 123.159 -0.759 2
1 36 . 1 1 A 15 15 PHE H H 15 8.110 7.886 0.224 2
1 37 . 1 1 A 15 15 PHE HA H 15 5.290 5.224 0.066 2
1 45 . 1 1 A 15 15 PHE C C 15 175.000 175.067 -0.067 2
1 46 . 1 1 A 15 15 PHE CA C 15 56.600 56.410 0.190 2
1 47 . 1 1 A 15 15 PHE CB C 15 42.600 42.933 -0.333 2
1 53 . 1 1 A 15 15 PHE N N 15 118.500 119.248 -0.748 2
1 54 . 1 1 A 16 16 ILE H H 16 9.160 8.630 0.530 2
1 55 . 1 1 A 16 16 ILE HA H 16 4.710 5.055 -0.345 2
1 65 . 1 1 A 16 16 ILE C C 16 173.400 174.213 -0.813 2
1 66 . 1 1 A 16 16 ILE CA C 16 59.300 59.154 0.146 2
1 67 . 1 1 A 16 16 ILE CB C 16 42.100 42.087 0.012 2
1 71 . 1 1 A 16 16 ILE N N 16 116.700 116.892 -0.192 2
1 72 . 1 1 A 17 17 LYS H H 17 8.530 8.681 -0.151 2
1 73 . 1 1 A 17 17 LYS HA H 17 5.220 5.101 0.119 2
1 82 . 1 1 A 17 17 LYS C C 17 176.400 175.820 0.580 2
1 83 . 1 1 A 17 17 LYS CA C 17 54.900 55.403 -0.503 2
1 84 . 1 1 A 17 17 LYS CB C 17 34.100 34.102 -0.002 2
1 88 . 1 1 A 17 17 LYS N N 17 123.200 123.095 0.105 2
1 89 . 1 1 A 18 18 VAL H H 18 8.900 8.721 0.179 2
1 90 . 1 1 A 18 18 VAL HA H 18 4.990 4.974 0.016 2
1 98 . 1 1 A 18 18 VAL C C 18 174.300 174.234 0.066 2
1 99 . 1 1 A 18 18 VAL CA C 18 58.600 58.716 -0.116 2
1 100 . 1 1 A 18 18 VAL CB C 18 35.600 36.065 -0.465 2
1 103 . 1 1 A 18 18 VAL N N 18 117.500 118.523 -1.023 2
1 104 . 1 1 A 19 19 ASN H H 19 7.830 8.556 -0.726 2
1 105 . 1 1 A 19 19 ASN HA H 19 5.780 5.439 0.341 2
1 110 . 1 1 A 19 19 ASN C C 19 175.300 174.248 1.052 2
1 111 . 1 1 A 19 19 ASN CA C 19 51.000 52.117 -1.117 2
1 112 . 1 1 A 19 19 ASN CB C 19 39.500 40.840 -1.339 2
1 114 . 1 1 A 19 19 ASN N N 19 117.700 119.410 -1.710 2
1 116 . 1 1 A 20 20 VAL H H 20 9.140 8.163 0.977 2
1 117 . 1 1 A 20 20 VAL HA H 20 5.480 4.984 0.496 2
1 125 . 1 1 A 20 20 VAL C C 20 174.900 174.606 0.294 2
1 126 . 1 1 A 20 20 VAL CA C 20 61.100 60.584 0.516 2
1 127 . 1 1 A 20 20 VAL CB C 20 35.000 34.366 0.634 2
1 130 . 1 1 A 20 20 VAL N N 20 120.600 123.563 -2.963 2
1 131 . 1 1 A 21 21 SER H H 21 9.700 8.747 0.953 2
1 132 . 1 1 A 21 21 SER HA H 21 4.930 5.210 -0.280 2
1 135 . 1 1 A 21 21 SER C C 21 172.900 172.777 0.123 2
1 136 . 1 1 A 21 21 SER CA C 21 57.300 56.635 0.665 2
1 137 . 1 1 A 21 21 SER CB C 21 66.900 66.430 0.470 2
1 138 . 1 1 A 21 21 SER N N 21 125.600 121.341 4.259 2
1 139 . 1 1 A 22 22 ASN H H 22 9.800 8.792 1.008 2
1 140 . 1 1 A 22 22 ASN HA H 22 5.240 5.241 -0.001 2
1 145 . 1 1 A 22 22 ASN C C 22 174.200 174.860 -0.660 2
1 146 . 1 1 A 22 22 ASN CA C 22 53.500 51.667 1.833 2
1 147 . 1 1 A 22 22 ASN CB C 22 43.000 41.836 1.164 2
1 149 . 1 1 A 22 22 ASN N N 22 116.100 120.285 -4.185 2
1 151 . 1 1 A 23 23 SER H H 23 8.200 8.385 -0.185 2
1 152 . 1 1 A 23 23 SER HA H 23 4.370 4.407 -0.037 2
1 155 . 1 1 A 23 23 SER CA C 23 59.700 60.421 -0.721 2
1 156 . 1 1 A 23 23 SER CB C 23 64.500 63.492 1.008 2
1 157 . 1 1 A 23 23 SER N N 23 111.800 117.508 -5.708 2
1 158 . 1 1 A 24 24 HIS H H 24 9.070 8.085 0.985 2
1 159 . 1 1 A 24 24 HIS HA H 24 4.790 4.460 0.330 2
1 164 . 1 1 A 24 24 HIS C C 24 175.100 175.070 0.030 2
1 165 . 1 1 A 24 24 HIS CA C 24 57.000 57.075 -0.075 2
1 166 . 1 1 A 24 24 HIS CB C 24 31.300 29.694 1.607 2
1 169 . 1 1 A 24 24 HIS N N 24 121.900 117.648 4.252 2
1 171 . 1 1 A 25 25 ASN H H 25 8.420 8.568 -0.148 2
1 172 . 1 1 A 25 25 ASN HA H 25 4.710 4.685 0.025 2
1 177 . 1 1 A 25 25 ASN C C 25 173.900 175.020 -1.120 2
1 178 . 1 1 A 25 25 ASN CA C 25 52.800 53.917 -1.117 2
1 179 . 1 1 A 25 25 ASN CB C 25 39.500 39.198 0.302 2
1 181 . 1 1 A 25 25 ASN N N 25 119.300 117.394 1.906 2
1 183 . 1 1 A 26 26 ASP H H 26 8.130 8.788 -0.658 2
1 184 . 1 1 A 26 26 ASP HA H 26 4.660 4.616 0.044 2
1 187 . 1 1 A 26 26 ASP C C 26 176.300 175.864 0.436 2
1 188 . 1 1 A 26 26 ASP CA C 26 53.600 54.455 -0.855 2
1 189 . 1 1 A 26 26 ASP CB C 26 40.900 40.668 0.232 2
1 190 . 1 1 A 26 26 ASP N N 26 115.800 121.240 -5.440 2
1 191 . 1 1 A 27 27 ALA H H 27 8.330 7.595 0.735 2
1 192 . 1 1 A 27 27 ALA HA H 27 4.210 4.289 -0.079 2
1 196 . 1 1 A 27 27 ALA C C 27 178.500 176.834 1.666 2
1 197 . 1 1 A 27 27 ALA CA C 27 53.100 52.052 1.048 2
1 198 . 1 1 A 27 27 ALA CB C 27 19.200 19.375 -0.175 2
1 199 . 1 1 A 27 27 ALA N N 27 124.500 122.645 1.855 2
1 200 . 1 1 A 28 28 VAL H H 28 8.310 8.541 -0.231 2
1 201 . 1 1 A 28 28 VAL HA H 28 4.360 4.611 -0.251 2
1 209 . 1 1 A 28 28 VAL CA C 28 61.000 60.187 0.813 2
1 210 . 1 1 A 28 28 VAL CB C 28 35.000 35.017 -0.017 2
1 213 . 1 1 A 28 28 VAL N N 28 124.500 123.070 1.430 2
1 214 . 1 1 A 29 29 ALA H H 29 8.460 8.399 0.061 2
1 215 . 1 1 A 29 29 ALA HA H 29 4.590 5.391 -0.801 2
1 219 . 1 1 A 29 29 ALA C C 29 175.800 175.798 0.002 2
1 220 . 1 1 A 29 29 ALA CA C 29 50.400 49.717 0.683 2
1 221 . 1 1 A 29 29 ALA CB C 29 20.100 22.039 -1.939 2
1 222 . 1 1 A 30 30 PHE H H 30 8.640 8.881 -0.241 2
1 223 . 1 1 A 30 30 PHE HA H 30 4.870 4.943 -0.073 2
1 231 . 1 1 A 30 30 PHE C C 30 175.800 175.484 0.316 2
1 232 . 1 1 A 30 30 PHE CA C 30 57.300 56.468 0.832 2
1 233 . 1 1 A 30 30 PHE CB C 30 41.600 41.896 -0.296 2
1 239 . 1 1 A 30 30 PHE N N 30 122.100 119.511 2.589 2
1 240 . 1 1 A 31 31 GLU H H 31 8.670 8.789 -0.119 2
1 241 . 1 1 A 31 31 GLU HA H 31 3.530 3.850 -0.320 2
1 246 . 1 1 A 31 31 GLU C C 31 174.700 175.081 -0.381 2
1 247 . 1 1 A 31 31 GLU CA C 31 57.200 57.251 -0.051 2
1 248 . 1 1 A 31 31 GLU CB C 31 27.600 28.014 -0.414 2
1 250 . 1 1 A 31 31 GLU N N 31 118.900 119.145 -0.245 2
1 251 . 1 1 A 32 32 VAL H H 32 9.100 7.643 1.457 2
1 252 . 1 1 A 32 32 VAL HA H 32 3.770 4.435 -0.665 2
1 260 . 1 1 A 32 32 VAL C C 32 175.400 175.103 0.297 2
1 261 . 1 1 A 32 32 VAL CA C 32 62.900 61.409 1.491 2
1 262 . 1 1 A 32 32 VAL CB C 32 32.200 32.629 -0.429 2
1 265 . 1 1 A 32 32 VAL N N 32 122.300 117.815 4.485 2
1 266 . 1 1 A 33 33 LYS H H 33 8.330 8.586 -0.256 2
1 267 . 1 1 A 33 33 LYS HA H 33 4.980 4.842 0.138 2
1 276 . 1 1 A 33 33 LYS C C 33 176.300 175.745 0.555 2
1 277 . 1 1 A 33 33 LYS CA C 33 55.700 56.115 -0.415 2
1 278 . 1 1 A 33 33 LYS CB C 33 33.500 33.080 0.420 2
1 282 . 1 1 A 33 33 LYS N N 33 128.300 127.404 0.896 2
1 283 . 1 1 A 34 34 LEU H H 34 9.140 8.487 0.653 2
1 284 . 1 1 A 34 34 LEU HA H 34 4.750 5.035 -0.285 2
1 294 . 1 1 A 34 34 LEU C C 34 175.000 176.146 -1.146 2
1 295 . 1 1 A 34 34 LEU CA C 34 52.900 53.578 -0.678 2
1 296 . 1 1 A 34 34 LEU CB C 34 46.700 45.843 0.857 2
1 300 . 1 1 A 34 34 LEU N N 34 126.700 125.989 0.711 2
1 301 . 1 1 A 35 35 ALA H H 35 8.650 8.916 -0.266 2
1 302 . 1 1 A 35 35 ALA HA H 35 4.100 4.203 -0.103 2
1 306 . 1 1 A 35 35 ALA C C 35 178.000 178.203 -0.203 2
1 307 . 1 1 A 35 35 ALA CA C 35 52.300 52.291 0.009 2
1 308 . 1 1 A 35 35 ALA CB C 35 19.100 18.950 0.150 2
1 309 . 1 1 A 35 35 ALA N N 35 126.600 127.089 -0.489 2
1 310 . 1 1 A 36 36 LYS H H 36 8.230 8.661 -0.431 2
1 311 . 1 1 A 36 36 LYS HA H 36 3.710 4.105 -0.395 2
1 320 . 1 1 A 36 36 LYS C C 36 176.000 177.312 -1.312 2
1 321 . 1 1 A 36 36 LYS CA C 36 59.800 58.494 1.306 2
1 322 . 1 1 A 36 36 LYS CB C 36 33.200 32.055 1.145 2
1 326 . 1 1 A 36 36 LYS N N 36 119.200 124.743 -5.542 2
1 327 . 1 1 A 37 37 ASP H H 37 8.060 7.921 0.139 2
1 328 . 1 1 A 37 37 ASP HA H 37 4.470 4.609 -0.139 2
1 331 . 1 1 A 37 37 ASP C C 37 176.800 176.458 0.342 2
1 332 . 1 1 A 37 37 ASP CA C 37 53.000 54.593 -1.593 2
1 333 . 1 1 A 37 37 ASP CB C 37 39.700 40.751 -1.051 2
1 334 . 1 1 A 37 37 ASP N N 37 112.700 117.700 -5.000 2
1 335 . 1 1 A 38 38 LEU H H 38 7.170 7.008 0.162 2
1 336 . 1 1 A 38 38 LEU HA H 38 4.280 4.225 0.055 2
1 346 . 1 1 A 38 38 LEU C C 38 177.600 177.214 0.386 2
1 347 . 1 1 A 38 38 LEU CA C 38 55.800 54.975 0.825 2
1 348 . 1 1 A 38 38 LEU CB C 38 43.900 42.632 1.268 2
1 352 . 1 1 A 38 38 LEU N N 38 122.100 121.842 0.258 2
1 353 . 1 1 A 39 39 THR H H 39 8.430 8.570 -0.140 2
1 354 . 1 1 A 39 39 THR HA H 39 5.010 4.774 0.236 2
1 360 . 1 1 A 39 39 THR C C 39 176.500 176.213 0.287 2
1 361 . 1 1 A 39 39 THR CA C 39 60.900 60.438 0.462 2
1 362 . 1 1 A 39 39 THR CB C 39 71.200 71.352 -0.152 2
1 364 . 1 1 A 39 39 THR N N 39 112.800 114.959 -2.159 2
1 365 . 1 1 A 40 40 VAL H H 40 8.740 8.438 0.302 2
1 366 . 1 1 A 40 40 VAL HA H 40 3.530 3.691 -0.161 2
1 374 . 1 1 A 40 40 VAL C C 40 178.200 177.350 0.850 2
1 375 . 1 1 A 40 40 VAL CA C 40 67.300 66.729 0.571 2
1 376 . 1 1 A 40 40 VAL CB C 40 31.600 31.705 -0.105 2
1 379 . 1 1 A 40 40 VAL N N 40 123.600 122.301 1.299 2
1 380 . 1 1 A 41 41 ALA H H 41 8.520 8.202 0.318 2
1 381 . 1 1 A 41 41 ALA HA H 41 3.950 3.926 0.024 2
1 385 . 1 1 A 41 41 ALA C C 41 180.700 179.982 0.718 2
1 386 . 1 1 A 41 41 ALA CA C 41 56.100 55.750 0.350 2
1 387 . 1 1 A 41 41 ALA CB C 41 18.800 18.347 0.453 2
1 388 . 1 1 A 41 41 ALA N N 41 121.400 122.234 -0.834 2
1 389 . 1 1 A 42 42 GLN H H 42 7.740 7.808 -0.068 2
1 390 . 1 1 A 42 42 GLN HA H 42 4.060 4.064 -0.004 2
1 397 . 1 1 A 42 42 GLN C C 42 180.300 178.666 1.634 2
1 398 . 1 1 A 42 42 GLN CA C 42 58.600 58.823 -0.223 2
1 399 . 1 1 A 42 42 GLN CB C 42 29.200 28.532 0.668 2
1 402 . 1 1 A 42 42 GLN N N 42 117.500 118.067 -0.568 2
1 404 . 1 1 A 43 43 LEU H H 43 9.210 7.977 1.233 2
1 405 . 1 1 A 43 43 LEU HA H 43 3.940 4.121 -0.181 2
1 415 . 1 1 A 43 43 LEU C C 43 178.300 178.659 -0.359 2
1 416 . 1 1 A 43 43 LEU CA C 43 57.900 57.752 0.148 2
1 417 . 1 1 A 43 43 LEU CB C 43 41.300 41.752 -0.452 2
1 421 . 1 1 A 43 43 LEU N N 43 123.000 121.661 1.339 2
1 422 . 1 1 A 44 44 LYS H H 44 8.740 8.101 0.639 2
1 423 . 1 1 A 44 44 LYS HA H 44 3.860 3.952 -0.092 2
1 432 . 1 1 A 44 44 LYS C C 44 178.300 179.200 -0.899 2
1 433 . 1 1 A 44 44 LYS CA C 44 61.100 59.431 1.669 2
1 434 . 1 1 A 44 44 LYS CB C 44 32.800 32.240 0.560 2
1 438 . 1 1 A 44 44 LYS N N 44 119.300 119.069 0.231 2
1 439 . 1 1 A 45 45 THR H H 45 7.440 7.812 -0.372 2
1 440 . 1 1 A 45 45 THR HA H 45 3.930 3.903 0.027 2
1 445 . 1 1 A 45 45 THR C C 45 176.700 176.596 0.104 2
1 446 . 1 1 A 45 45 THR CA C 45 67.100 66.682 0.418 2
1 447 . 1 1 A 45 45 THR CB C 45 68.800 68.392 0.408 2
1 449 . 1 1 A 45 45 THR N N 45 114.000 116.575 -2.575 2
1 450 . 1 1 A 46 46 LYS H H 46 7.500 7.846 -0.347 2
1 451 . 1 1 A 46 46 LYS HA H 46 4.100 4.011 0.089 2
1 460 . 1 1 A 46 46 LYS C C 46 179.700 179.472 0.228 2
1 461 . 1 1 A 46 46 LYS CA C 46 59.400 59.821 -0.421 2
1 462 . 1 1 A 46 46 LYS CB C 46 32.100 32.212 -0.112 2
1 466 . 1 1 A 46 46 LYS N N 46 121.700 121.141 0.559 2
1 467 . 1 1 A 47 47 LEU H H 47 9.010 8.513 0.497 2
1 468 . 1 1 A 47 47 LEU HA H 47 4.040 3.952 0.088 2
1 478 . 1 1 A 47 47 LEU C C 47 180.000 178.809 1.191 2
1 479 . 1 1 A 47 47 LEU CA C 47 57.200 58.020 -0.820 2
1 480 . 1 1 A 47 47 LEU CB C 47 40.700 41.261 -0.561 2
1 484 . 1 1 A 47 47 LEU N N 47 118.000 119.653 -1.653 2
1 485 . 1 1 A 48 48 GLU H H 48 8.450 8.626 -0.176 2
1 486 . 1 1 A 48 48 GLU HA H 48 4.050 3.990 0.060 2
1 491 . 1 1 A 48 48 GLU C C 48 178.800 179.333 -0.533 2
1 492 . 1 1 A 48 48 GLU CA C 48 59.700 59.460 0.240 2
1 493 . 1 1 A 48 48 GLU CB C 48 29.400 29.466 -0.066 2
1 495 . 1 1 A 48 48 GLU N N 48 126.300 120.103 6.197 2
1 496 . 1 1 A 49 49 ILE H H 49 7.180 7.583 -0.403 2
1 497 . 1 1 A 49 49 ILE HA H 49 3.780 3.675 0.105 2
1 507 . 1 1 A 49 49 ILE C C 49 178.000 178.311 -0.311 2
1 508 . 1 1 A 49 49 ILE CA C 49 64.000 65.367 -1.367 2
1 509 . 1 1 A 49 49 ILE CB C 49 38.100 37.760 0.340 2
1 513 . 1 1 A 49 49 ILE N N 49 119.600 119.948 -0.348 2
1 514 . 1 1 A 50 50 LEU H H 50 7.520 7.929 -0.409 2
1 515 . 1 1 A 50 50 LEU HA H 50 4.160 3.950 0.210 2
1 525 . 1 1 A 50 50 LEU C C 50 178.400 178.570 -0.169 2
1 526 . 1 1 A 50 50 LEU CA C 50 57.500 58.084 -0.584 2
1 527 . 1 1 A 50 50 LEU CB C 50 44.300 41.713 2.587 2
1 531 . 1 1 A 50 50 LEU N N 50 116.800 120.861 -4.061 2
1 532 . 1 1 A 51 51 THR H H 51 8.160 8.351 -0.191 2
1 533 . 1 1 A 51 51 THR HA H 51 4.490 4.427 0.063 2
1 538 . 1 1 A 51 51 THR C C 51 175.600 176.102 -0.502 2
1 539 . 1 1 A 51 51 THR CA C 51 62.400 62.335 0.065 2
1 540 . 1 1 A 51 51 THR CB C 51 72.900 70.649 2.251 2
1 542 . 1 1 A 51 51 THR N N 51 104.100 107.078 -2.978 2
1 543 . 1 1 A 52 52 GLY H H 52 8.080 8.466 -0.386 2
1 544 . 1 1 A 52 52 GLY HA2 H 52 3.830 3.940 -0.110 2
1 545 . 1 1 A 52 52 GLY HA3 H 52 4.250 3.941 0.309 2
1 546 . 1 1 A 52 52 GLY C C 52 174.800 174.749 0.051 2
1 547 . 1 1 A 52 52 GLY CA C 52 45.500 45.889 -0.389 2
1 548 . 1 1 A 52 52 GLY N N 52 112.100 112.093 0.007 2
1 549 . 1 1 A 53 53 GLY H H 53 7.880 7.815 0.065 2
1 550 . 1 1 A 53 53 GLY HA2 H 53 3.220 4.006 -0.786 2
1 551 . 1 1 A 53 53 GLY HA3 H 53 4.040 4.010 0.030 2
1 552 . 1 1 A 53 53 GLY C C 53 170.900 172.787 -1.887 2
1 553 . 1 1 A 53 53 GLY CA C 53 44.300 44.294 0.005 2
1 554 . 1 1 A 53 53 GLY N N 53 107.000 107.775 -0.775 2
1 555 . 1 1 A 54 54 CYS H H 54 8.690 8.382 0.308 2
1 556 . 1 1 A 54 54 CYS HA H 54 4.430 4.945 -0.515 2
1 559 . 1 1 A 54 54 CYS C C 54 176.100 175.543 0.557 2
1 560 . 1 1 A 54 54 CYS CA C 54 57.900 57.939 -0.039 2
1 561 . 1 1 A 54 54 CYS CB C 54 27.800 29.526 -1.726 2
1 562 . 1 1 A 54 54 CYS N N 54 120.200 118.859 1.341 2
1 563 . 1 1 A 55 55 ALA H H 55 10.100 8.988 1.112 2
1 564 . 1 1 A 55 55 ALA HA H 55 3.890 3.958 -0.068 2
1 568 . 1 1 A 55 55 ALA C C 55 178.900 179.195 -0.295 2
1 569 . 1 1 A 55 55 ALA CA C 55 55.700 55.023 0.677 2
1 570 . 1 1 A 55 55 ALA CB C 55 18.500 18.476 0.024 2
1 571 . 1 1 A 55 55 ALA N N 55 133.900 129.102 4.798 2
1 572 . 1 1 A 56 56 GLY H H 56 8.380 8.198 0.182 2
1 573 . 1 1 A 56 56 GLY HA2 H 56 3.910 3.823 0.087 2
1 574 . 1 1 A 56 56 GLY HA3 H 56 3.910 3.824 0.086 2
1 575 . 1 1 A 56 56 GLY C C 56 174.600 174.964 -0.364 2
1 576 . 1 1 A 56 56 GLY CA C 56 45.900 46.594 -0.694 2
1 577 . 1 1 A 56 56 GLY N N 56 104.300 105.717 -1.417 2
1 578 . 1 1 A 57 57 THR H H 57 7.310 7.608 -0.298 2
1 579 . 1 1 A 57 57 THR HA H 57 4.520 4.486 0.034 2
1 584 . 1 1 A 57 57 THR C C 57 175.500 174.250 1.250 2
1 585 . 1 1 A 57 57 THR CA C 57 61.400 61.984 -0.584 2
1 586 . 1 1 A 57 57 THR CB C 57 69.900 69.897 0.003 2
1 588 . 1 1 A 57 57 THR N N 57 107.700 112.284 -4.584 2
1 589 . 1 1 A 58 58 MET H H 58 7.910 7.525 0.385 2
1 590 . 1 1 A 58 58 MET HA H 58 4.540 4.625 -0.085 2
1 598 . 1 1 A 58 58 MET C C 58 175.100 175.545 -0.445 2
1 599 . 1 1 A 58 58 MET CA C 58 56.900 55.065 1.835 2
1 600 . 1 1 A 58 58 MET CB C 58 33.700 33.725 -0.025 2
1 603 . 1 1 A 58 58 MET N N 58 120.700 122.237 -1.537 2
1 604 . 1 1 A 59 59 LYS H H 59 8.780 8.519 0.261 2
1 605 . 1 1 A 59 59 LYS HA H 59 4.610 5.065 -0.455 2
1 614 . 1 1 A 59 59 LYS C C 59 174.500 175.035 -0.535 2
1 615 . 1 1 A 59 59 LYS CA C 59 54.500 54.740 -0.240 2
1 616 . 1 1 A 59 59 LYS CB C 59 34.700 35.808 -1.108 2
1 620 . 1 1 A 59 59 LYS N N 59 122.400 124.951 -2.551 2
1 621 . 1 1 A 60 60 VAL H H 60 8.740 8.669 0.071 2
1 622 . 1 1 A 60 60 VAL HA H 60 4.700 4.910 -0.209 2
1 630 . 1 1 A 60 60 VAL C C 60 175.000 175.172 -0.172 2
1 631 . 1 1 A 60 60 VAL CA C 60 61.300 60.938 0.362 2
1 632 . 1 1 A 60 60 VAL CB C 60 33.400 33.914 -0.514 2
1 635 . 1 1 A 60 60 VAL N N 60 122.100 123.004 -0.904 2
1 636 . 1 1 A 61 61 GLN H H 61 9.250 8.657 0.593 2
1 637 . 1 1 A 61 61 GLN HA H 61 4.790 4.951 -0.161 2
1 644 . 1 1 A 61 61 GLN C C 61 174.700 174.544 0.156 2
1 645 . 1 1 A 61 61 GLN CA C 61 54.200 54.071 0.129 2
1 646 . 1 1 A 61 61 GLN CB C 61 32.800 32.473 0.327 2
1 649 . 1 1 A 61 61 GLN N N 61 126.400 125.747 0.653 2
1 651 . 1 1 A 62 62 VAL H H 62 8.690 8.295 0.395 2
1 652 . 1 1 A 62 62 VAL HA H 62 4.650 4.623 0.027 2
1 660 . 1 1 A 62 62 VAL C C 62 174.700 174.995 -0.295 2
1 661 . 1 1 A 62 62 VAL CA C 62 61.800 61.583 0.217 2
1 662 . 1 1 A 62 62 VAL CB C 62 32.500 32.320 0.180 2
1 665 . 1 1 A 62 62 VAL N N 62 121.700 123.093 -1.393 2
1 666 . 1 1 A 63 63 PHE H H 63 10.020 9.214 0.806 2
1 667 . 1 1 A 63 63 PHE HA H 63 5.170 5.211 -0.041 2
1 675 . 1 1 A 63 63 PHE C C 63 175.100 174.530 0.570 2
1 676 . 1 1 A 63 63 PHE CA C 63 56.800 55.871 0.929 2
1 677 . 1 1 A 63 63 PHE CB C 63 42.900 43.481 -0.581 2
1 683 . 1 1 A 63 63 PHE N N 63 127.100 126.065 1.035 2
1 684 . 1 1 A 64 64 LYS H H 64 8.710 8.527 0.183 2
1 685 . 1 1 A 64 64 LYS HA H 64 4.650 4.655 -0.005 2
1 694 . 1 1 A 64 64 LYS C C 64 176.900 176.607 0.293 2
1 695 . 1 1 A 64 64 LYS CA C 64 55.100 55.081 0.019 2
1 696 . 1 1 A 64 64 LYS CB C 64 34.100 33.606 0.494 2
1 700 . 1 1 A 64 64 LYS N N 64 123.900 123.200 0.700 2
1 701 . 1 1 A 65 65 GLY H H 65 9.160 9.006 0.154 2
1 702 . 1 1 A 65 65 GLY HA2 H 65 3.680 3.885 -0.205 2
1 703 . 1 1 A 65 65 GLY HA3 H 65 4.050 3.889 0.161 2
1 704 . 1 1 A 65 65 GLY C C 65 174.600 174.445 0.155 2
1 705 . 1 1 A 65 65 GLY CA C 65 47.200 47.030 0.170 2
1 706 . 1 1 A 65 65 GLY N N 65 118.800 115.383 3.417 2
1 707 . 1 1 A 66 66 ASP H H 66 8.760 8.707 0.053 2
1 708 . 1 1 A 66 66 ASP HA H 66 4.700 4.750 -0.050 2
1 711 . 1 1 A 66 66 ASP C C 66 176.000 175.102 0.898 2
1 712 . 1 1 A 66 66 ASP CA C 66 54.300 53.665 0.635 2
1 713 . 1 1 A 66 66 ASP CB C 66 41.300 41.169 0.131 2
1 714 . 1 1 A 66 66 ASP N N 66 126.400 126.267 0.133 2
1 715 . 1 1 A 67 67 THR H H 67 8.020 7.390 0.630 2
1 716 . 1 1 A 67 67 THR HA H 67 4.300 4.952 -0.652 2
1 721 . 1 1 A 67 67 THR C C 67 172.100 173.402 -1.302 2
1 722 . 1 1 A 67 67 THR CA C 67 62.400 61.257 1.143 2
1 723 . 1 1 A 67 67 THR CB C 67 70.700 71.433 -0.733 2
1 725 . 1 1 A 67 67 THR N N 67 117.500 114.532 2.968 2
1 726 . 1 1 A 68 68 CYS H H 68 8.940 8.801 0.139 2
1 727 . 1 1 A 68 68 CYS HA H 68 3.400 4.419 -1.019 2
1 730 . 1 1 A 68 68 CYS C C 68 174.900 175.047 -0.147 2
1 731 . 1 1 A 68 68 CYS CA C 68 58.700 58.615 0.085 2
1 732 . 1 1 A 68 68 CYS CB C 68 25.600 27.783 -2.183 2
1 733 . 1 1 A 68 68 CYS N N 68 129.500 124.857 4.643 2
1 734 . 1 1 A 69 69 VAL H H 69 9.090 8.472 0.618 2
1 735 . 1 1 A 69 69 VAL HA H 69 4.150 3.913 0.237 2
1 743 . 1 1 A 69 69 VAL C C 69 176.300 175.665 0.635 2
1 744 . 1 1 A 69 69 VAL CA C 69 62.900 64.118 -1.219 2
1 745 . 1 1 A 69 69 VAL CB C 69 32.800 32.223 0.577 2
1 748 . 1 1 A 69 69 VAL N N 69 127.500 126.652 0.848 2
1 749 . 1 1 A 70 70 SER H H 70 7.640 7.420 0.220 2
1 750 . 1 1 A 70 70 SER HA H 70 4.550 4.630 -0.081 2
1 753 . 1 1 A 70 70 SER C C 70 172.300 171.689 0.611 2
1 754 . 1 1 A 70 70 SER CA C 70 58.700 57.574 1.126 2
1 755 . 1 1 A 70 70 SER CB C 70 65.100 65.912 -0.812 2
1 756 . 1 1 A 70 70 SER N N 70 113.400 111.808 1.592 2
1 757 . 1 1 A 71 71 THR H H 71 8.220 8.473 -0.253 2
1 758 . 1 1 A 71 71 THR HA H 71 4.580 4.706 -0.126 2
1 763 . 1 1 A 71 71 THR C C 71 174.000 174.325 -0.325 2
1 764 . 1 1 A 71 71 THR CA C 71 61.800 61.139 0.661 2
1 765 . 1 1 A 71 71 THR CB C 71 70.500 70.847 -0.347 2
1 767 . 1 1 A 71 71 THR N N 71 114.500 116.034 -1.534 2
1 768 . 1 1 A 72 72 MET H H 72 8.260 8.773 -0.513 2
1 769 . 1 1 A 72 72 MET HA H 72 2.990 3.978 -0.988 2
1 777 . 1 1 A 72 72 MET C C 72 175.700 175.922 -0.222 2
1 778 . 1 1 A 72 72 MET CA C 72 55.100 54.116 0.984 2
1 779 . 1 1 A 72 72 MET CB C 72 30.200 30.854 -0.654 2
1 782 . 1 1 A 72 72 MET N N 72 121.800 125.365 -3.564 2
1 783 . 1 1 A 73 73 ASP H H 73 7.830 8.619 -0.789 2
1 784 . 1 1 A 73 73 ASP HA H 73 4.370 4.637 -0.267 2
1 787 . 1 1 A 73 73 ASP C C 73 175.100 175.957 -0.857 2
1 788 . 1 1 A 73 73 ASP CA C 73 55.800 55.093 0.707 2
1 789 . 1 1 A 73 73 ASP CB C 73 41.800 41.806 -0.006 2
1 790 . 1 1 A 73 73 ASP N N 73 125.100 124.239 0.861 2
1 791 . 1 1 A 74 74 ASN H H 74 7.480 7.637 -0.157 2
1 792 . 1 1 A 74 74 ASN HA H 74 4.890 4.860 0.030 2
1 797 . 1 1 A 74 74 ASN C C 74 175.800 175.741 0.059 2
1 798 . 1 1 A 74 74 ASN CA C 74 51.600 52.656 -1.056 2
1 799 . 1 1 A 74 74 ASN CB C 74 38.800 38.656 0.144 2
1 801 . 1 1 A 74 74 ASN N N 74 116.400 117.855 -1.455 2
1 803 . 1 1 A 75 75 ASN H H 75 8.870 8.957 -0.087 2
1 804 . 1 1 A 75 75 ASN HA H 75 4.390 4.500 -0.110 2
1 809 . 1 1 A 75 75 ASN C C 75 175.700 176.207 -0.507 2
1 810 . 1 1 A 75 75 ASN CA C 75 55.600 55.583 0.017 2
1 811 . 1 1 A 75 75 ASN CB C 75 39.200 37.935 1.265 2
1 813 . 1 1 A 75 75 ASN N N 75 123.600 124.017 -0.417 2
1 815 . 1 1 A 76 76 ASP H H 76 8.060 8.041 0.019 2
1 816 . 1 1 A 76 76 ASP HA H 76 4.750 4.610 0.140 2
1 819 . 1 1 A 76 76 ASP C C 76 176.200 176.169 0.031 2
1 820 . 1 1 A 76 76 ASP CA C 76 54.200 54.566 -0.366 2
1 821 . 1 1 A 76 76 ASP CB C 76 41.700 40.667 1.033 2
1 822 . 1 1 A 76 76 ASP N N 76 115.100 117.160 -2.060 2
1 823 . 1 1 A 77 77 ALA H H 77 7.140 7.249 -0.109 2
1 824 . 1 1 A 77 77 ALA HA H 77 4.160 4.197 -0.037 2
1 828 . 1 1 A 77 77 ALA C C 77 176.100 177.262 -1.162 2
1 829 . 1 1 A 77 77 ALA CA C 77 51.400 51.746 -0.346 2
1 830 . 1 1 A 77 77 ALA CB C 77 20.100 20.033 0.067 2
1 831 . 1 1 A 77 77 ALA N N 77 122.600 122.791 -0.191 2
1 832 . 1 1 A 78 78 GLN H H 78 8.090 8.972 -0.881 2
1 833 . 1 1 A 78 78 GLN HA H 78 4.750 4.478 0.272 2
1 840 . 1 1 A 78 78 GLN C C 78 177.900 177.682 0.218 2
1 841 . 1 1 A 78 78 GLN CA C 78 55.200 55.219 -0.019 2
1 842 . 1 1 A 78 78 GLN CB C 78 29.500 29.603 -0.103 2
1 845 . 1 1 A 78 78 GLN N N 78 116.500 120.342 -3.842 2
1 847 . 1 1 A 79 79 LEU H H 79 9.380 9.229 0.151 2
1 848 . 1 1 A 79 79 LEU HA H 79 4.060 4.188 -0.128 2
1 858 . 1 1 A 79 79 LEU C C 79 179.200 179.122 0.078 2
1 859 . 1 1 A 79 79 LEU CA C 79 58.900 58.017 0.883 2
1 860 . 1 1 A 79 79 LEU CB C 79 42.000 41.551 0.449 2
1 864 . 1 1 A 79 79 LEU N N 79 123.800 126.197 -2.397 2
1 865 . 1 1 A 80 80 GLY H H 80 9.130 8.003 1.127 2
1 866 . 1 1 A 80 80 GLY HA2 H 80 3.750 3.918 -0.168 2
1 867 . 1 1 A 80 80 GLY HA3 H 80 4.160 3.939 0.221 2
1 868 . 1 1 A 80 80 GLY C C 80 174.100 175.099 -0.999 2
1 869 . 1 1 A 80 80 GLY CA C 80 45.600 46.270 -0.670 2
1 870 . 1 1 A 80 80 GLY N N 80 104.000 106.242 -2.242 2
1 871 . 1 1 A 81 81 TYR H H 81 7.900 8.037 -0.137 2
1 872 . 1 1 A 81 81 TYR HA H 81 4.000 3.929 0.071 2
1 879 . 1 1 A 81 81 TYR C C 81 176.300 176.717 -0.417 2
1 880 . 1 1 A 81 81 TYR CA C 81 60.600 60.757 -0.157 2
1 881 . 1 1 A 81 81 TYR CB C 81 38.700 38.233 0.467 2
1 886 . 1 1 A 81 81 TYR N N 81 120.300 122.637 -2.337 2
1 887 . 1 1 A 82 82 TYR H H 82 7.430 7.759 -0.329 2
1 888 . 1 1 A 82 82 TYR HA H 82 4.340 4.625 -0.284 2
1 895 . 1 1 A 82 82 TYR C C 82 175.500 176.449 -0.949 2
1 896 . 1 1 A 82 82 TYR CA C 82 58.700 59.137 -0.437 2
1 897 . 1 1 A 82 82 TYR CB C 82 41.500 40.250 1.250 2
1 902 . 1 1 A 82 82 TYR N N 82 114.000 114.829 -0.829 2
1 903 . 1 1 A 83 83 ALA H H 83 8.430 7.566 0.864 2
1 904 . 1 1 A 83 83 ALA HA H 83 4.380 4.520 -0.140 2
1 908 . 1 1 A 83 83 ALA C C 83 173.400 177.410 -4.010 2
1 909 . 1 1 A 83 83 ALA CA C 83 51.000 51.046 -0.046 2
1 910 . 1 1 A 83 83 ALA CB C 83 19.500 18.630 0.870 2
1 911 . 1 1 A 83 83 ALA N N 83 122.900 121.314 1.586 2
1 912 . 1 1 A 84 84 ASN H H 84 8.050 8.610 -0.560 2
1 913 . 1 1 A 84 84 ASN HA H 84 4.760 4.859 -0.099 2
1 918 . 1 1 A 84 84 ASN C C 84 174.600 174.394 0.206 2
1 919 . 1 1 A 84 84 ASN CA C 84 52.200 52.731 -0.531 2
1 920 . 1 1 A 84 84 ASN CB C 84 39.300 38.747 0.553 2
1 922 . 1 1 A 84 84 ASN N N 84 117.300 120.238 -2.938 2
1 924 . 1 1 A 85 85 SER H H 85 7.180 7.697 -0.517 2
1 925 . 1 1 A 85 85 SER HA H 85 4.670 4.871 -0.201 2
1 928 . 1 1 A 85 85 SER C C 85 172.000 172.471 -0.471 2
1 929 . 1 1 A 85 85 SER CA C 85 56.900 56.922 -0.022 2
1 930 . 1 1 A 85 85 SER CB C 85 66.000 65.940 0.060 2
1 931 . 1 1 A 85 85 SER N N 85 112.200 114.159 -1.959 2
1 932 . 1 1 A 86 86 ASP H H 86 8.320 8.778 -0.459 2
1 933 . 1 1 A 86 86 ASP HA H 86 4.920 4.803 0.117 2
1 936 . 1 1 A 86 86 ASP C C 86 178.100 176.642 1.458 2
1 937 . 1 1 A 86 86 ASP CA C 86 55.000 53.918 1.082 2
1 938 . 1 1 A 86 86 ASP CB C 86 42.000 41.923 0.077 2
1 939 . 1 1 A 86 86 ASP N N 86 119.100 124.255 -5.155 2
1 940 . 1 1 A 87 87 GLY H H 87 8.910 8.637 0.273 2
1 941 . 1 1 A 87 87 GLY HA2 H 87 3.850 3.983 -0.133 2
1 942 . 1 1 A 87 87 GLY HA3 H 87 4.110 3.991 0.119 2
1 943 . 1 1 A 87 87 GLY C C 87 175.400 174.492 0.908 2
1 944 . 1 1 A 87 87 GLY CA C 87 46.100 45.222 0.878 2
1 945 . 1 1 A 87 87 GLY N N 87 107.900 110.979 -3.079 2
1 946 . 1 1 A 88 88 LEU H H 88 8.290 7.832 0.458 2
1 947 . 1 1 A 88 88 LEU HA H 88 4.740 4.471 0.269 2
1 957 . 1 1 A 88 88 LEU C C 88 175.000 176.082 -1.082 2
1 958 . 1 1 A 88 88 LEU CA C 88 54.500 54.689 -0.189 2
1 959 . 1 1 A 88 88 LEU CB C 88 43.200 42.617 0.583 2
1 963 . 1 1 A 88 88 LEU N N 88 120.300 122.996 -2.696 2
1 964 . 1 1 A 89 89 ARG H H 89 8.880 8.526 0.354 2
1 965 . 1 1 A 89 89 ARG HA H 89 5.300 5.178 0.122 2
1 973 . 1 1 A 89 89 ARG C C 89 174.900 174.563 0.337 2
1 974 . 1 1 A 89 89 ARG CA C 89 53.600 54.647 -1.047 2
1 975 . 1 1 A 89 89 ARG CB C 89 34.300 33.653 0.647 2
1 979 . 1 1 A 89 89 ARG N N 89 121.200 122.596 -1.396 2
1 981 . 1 1 A 90 90 LEU H H 90 9.250 9.352 -0.102 2
1 982 . 1 1 A 90 90 LEU HA H 90 5.270 5.191 0.079 2
1 992 . 1 1 A 90 90 LEU C C 90 173.700 175.189 -1.489 2
1 993 . 1 1 A 90 90 LEU CA C 90 52.900 53.471 -0.571 2
1 994 . 1 1 A 90 90 LEU CB C 90 42.000 43.608 -1.608 2
1 998 . 1 1 A 90 90 LEU N N 90 125.500 127.870 -2.370 2
1 999 . 1 1 A 91 91 HIS H H 91 9.600 8.930 0.670 2
1 1000 . 1 1 A 91 91 HIS HA H 91 5.280 5.452 -0.172 2
1 1005 . 1 1 A 91 91 HIS C C 91 174.300 173.394 0.906 2
1 1006 . 1 1 A 91 91 HIS CA C 91 54.500 53.712 0.788 2
1 1007 . 1 1 A 91 91 HIS CB C 91 35.200 32.400 2.800 2
1 1010 . 1 1 A 91 91 HIS N N 91 124.800 124.945 -0.145 2
1 1013 . 1 1 A 92 92 VAL H H 92 8.300 8.851 -0.551 2
1 1014 . 1 1 A 92 92 VAL HA H 92 4.110 4.473 -0.363 2
1 1022 . 1 1 A 92 92 VAL C C 92 174.200 174.920 -0.720 2
1 1023 . 1 1 A 92 92 VAL CA C 92 62.900 61.697 1.203 2
1 1024 . 1 1 A 92 92 VAL CB C 92 32.600 32.644 -0.044 2
1 1027 . 1 1 A 92 92 VAL N N 92 128.400 127.435 0.965 2
1 1028 . 1 1 A 93 93 VAL H H 93 8.950 8.911 0.039 2
1 1029 . 1 1 A 93 93 VAL HA H 93 4.170 4.596 -0.426 2
1 1037 . 1 1 A 93 93 VAL C C 93 175.600 174.105 1.495 2
1 1038 . 1 1 A 93 93 VAL CA C 93 61.100 61.186 -0.086 2
1 1039 . 1 1 A 93 93 VAL CB C 93 33.300 33.167 0.133 2
1 1042 . 1 1 A 93 93 VAL N N 93 127.800 128.264 -0.464 2
1 1043 . 1 1 A 94 94 ASP H H 94 8.280 8.882 -0.602 2
1 1044 . 1 1 A 94 94 ASP HA H 94 4.850 5.163 -0.313 2
1 1047 . 1 1 A 94 94 ASP C C 94 174.700 175.204 -0.504 2
1 1048 . 1 1 A 94 94 ASP CA C 94 53.800 52.882 0.918 2
1 1049 . 1 1 A 94 94 ASP CB C 94 42.500 42.297 0.203 2
1 1050 . 1 1 A 94 94 ASP N N 94 127.100 128.383 -1.283 2
stop_
save_