data_15317_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15317
_Entry.PDB_ID 2JR2
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 PRO HA H 2 4.400 4.574 -0.174 1
1 8 . 1 1 1 A 2 2 PRO C C 2 172.300 175.929 -3.629 1
1 9 . 1 1 1 A 2 2 PRO CA C 2 62.200 62.943 -0.743 1
1 10 . 1 1 1 A 2 2 PRO CB C 2 32.600 29.458 3.142 1
1 13 . 1 1 1 A 3 3 ILE H H 3 8.630 7.825 0.805 1
1 14 . 1 1 1 A 3 3 ILE HA H 3 4.190 4.453 -0.263 1
1 24 . 1 1 1 A 3 3 ILE C C 3 176.100 175.645 0.455 1
1 25 . 1 1 1 A 3 3 ILE CA C 3 61.500 59.987 1.513 1
1 26 . 1 1 1 A 3 3 ILE CB C 3 38.600 40.212 -1.612 1
1 30 . 1 1 1 A 3 3 ILE N N 3 120.700 121.382 -0.682 1
1 31 . 1 1 1 A 4 4 VAL H H 4 8.380 8.561 -0.181 1
1 32 . 1 1 1 A 4 4 VAL HA H 4 4.140 4.281 -0.141 1
1 40 . 1 1 1 A 4 4 VAL C C 4 175.800 176.818 -1.018 1
1 41 . 1 1 1 A 4 4 VAL CA C 4 62.100 62.226 -0.126 1
1 42 . 1 1 1 A 4 4 VAL CB C 4 32.800 33.163 -0.363 1
1 45 . 1 1 1 A 4 4 VAL N N 4 125.500 120.351 5.149 1
1 46 . 1 1 1 A 5 5 SER H H 5 8.450 7.624 0.826 1
1 47 . 1 1 1 A 5 5 SER HA H 5 4.420 4.377 0.043 1
1 50 . 1 1 1 A 5 5 SER C C 5 174.300 174.594 -0.294 1
1 51 . 1 1 1 A 5 5 SER CA C 5 57.900 58.708 -0.808 1
1 52 . 1 1 1 A 5 5 SER CB C 5 64.000 65.680 -1.680 1
1 53 . 1 1 1 A 5 5 SER N N 5 120.500 115.960 4.540 1
1 54 . 1 1 1 A 6 6 LYS H H 6 8.330 8.051 0.279 1
1 55 . 1 1 1 A 6 6 LYS HA H 6 4.150 4.172 -0.022 1
1 64 . 1 1 1 A 6 6 LYS C C 6 176.000 175.233 0.767 1
1 65 . 1 1 1 A 6 6 LYS CA C 6 56.800 58.342 -1.542 1
1 66 . 1 1 1 A 6 6 LYS CB C 6 33.000 32.014 0.986 1
1 70 . 1 1 1 A 6 6 LYS N N 6 123.400 120.807 2.593 1
1 71 . 1 1 1 A 7 7 TYR H H 7 8.150 7.270 0.880 1
1 72 . 1 1 1 A 7 7 TYR HA H 7 4.640 4.641 -0.001 1
1 79 . 1 1 1 A 7 7 TYR C C 7 175.400 175.593 -0.193 1
1 80 . 1 1 1 A 7 7 TYR CA C 7 56.700 57.442 -0.742 1
1 81 . 1 1 1 A 7 7 TYR CB C 7 39.300 39.887 -0.587 1
1 86 . 1 1 1 A 7 7 TYR N N 7 120.000 118.799 1.201 1
1 87 . 1 1 1 A 8 8 SER H H 8 8.360 9.019 -0.659 1
1 88 . 1 1 1 A 8 8 SER HA H 8 4.400 4.864 -0.464 1
1 91 . 1 1 1 A 8 8 SER C C 8 174.700 175.846 -1.146 1
1 92 . 1 1 1 A 8 8 SER CA C 8 57.600 57.553 0.047 1
1 93 . 1 1 1 A 8 8 SER CB C 8 64.000 64.480 -0.480 1
1 94 . 1 1 1 A 8 8 SER N N 8 118.100 116.154 1.946 1
1 95 . 1 1 1 A 9 9 ASN H H 9 8.900 9.032 -0.132 1
1 96 . 1 1 1 A 9 9 ASN HA H 9 4.400 4.435 -0.035 1
1 101 . 1 1 1 A 9 9 ASN C C 9 176.800 177.606 -0.806 1
1 102 . 1 1 1 A 9 9 ASN CA C 9 55.900 56.932 -1.032 1
1 103 . 1 1 1 A 9 9 ASN CB C 9 38.300 37.901 0.399 1
1 105 . 1 1 1 A 9 9 ASN N N 9 122.300 121.274 1.026 1
1 107 . 1 1 1 A 10 10 GLU H H 10 8.740 8.504 0.236 1
1 108 . 1 1 1 A 10 10 GLU HA H 10 4.000 4.013 -0.013 1
1 113 . 1 1 1 A 10 10 GLU C C 10 178.500 179.118 -0.618 1
1 114 . 1 1 1 A 10 10 GLU CA C 10 59.900 59.862 0.038 1
1 115 . 1 1 1 A 10 10 GLU CB C 10 29.000 29.163 -0.163 1
1 117 . 1 1 1 A 10 10 GLU N N 10 119.000 119.410 -0.410 1
1 118 . 1 1 1 A 11 11 ARG H H 11 7.750 7.949 -0.199 1
1 119 . 1 1 1 A 11 11 ARG HA H 11 4.070 4.208 -0.138 1
1 127 . 1 1 1 A 11 11 ARG C C 11 178.000 178.693 -0.693 1
1 128 . 1 1 1 A 11 11 ARG CA C 11 58.800 58.609 0.191 1
1 129 . 1 1 1 A 11 11 ARG CB C 11 30.100 29.926 0.174 1
1 132 . 1 1 1 A 11 11 ARG N N 11 121.500 120.331 1.169 1
1 134 . 1 1 1 A 12 12 VAL H H 12 7.830 8.240 -0.410 1
1 135 . 1 1 1 A 12 12 VAL HA H 12 3.420 3.489 -0.069 1
1 143 . 1 1 1 A 12 12 VAL C C 12 177.400 177.732 -0.332 1
1 144 . 1 1 1 A 12 12 VAL CA C 12 67.000 67.052 -0.052 1
1 145 . 1 1 1 A 12 12 VAL CB C 12 32.100 31.481 0.619 1
1 148 . 1 1 1 A 12 12 VAL N N 12 118.800 119.989 -1.189 1
1 149 . 1 1 1 A 13 13 GLU H H 13 8.220 8.601 -0.381 1
1 150 . 1 1 1 A 13 13 GLU HA H 13 3.890 3.973 -0.083 1
1 155 . 1 1 1 A 13 13 GLU C C 13 178.900 179.520 -0.620 1
1 156 . 1 1 1 A 13 13 GLU CA C 13 59.500 59.636 -0.136 1
1 157 . 1 1 1 A 13 13 GLU CB C 13 29.000 29.200 -0.200 1
1 159 . 1 1 1 A 13 13 GLU N N 13 116.800 118.571 -1.771 1
1 160 . 1 1 1 A 14 14 LYS H H 14 7.600 7.711 -0.111 1
1 161 . 1 1 1 A 14 14 LYS HA H 14 4.030 4.188 -0.158 1
1 170 . 1 1 1 A 14 14 LYS C C 14 177.700 178.824 -1.124 1
1 171 . 1 1 1 A 14 14 LYS CA C 14 59.100 58.694 0.406 1
1 172 . 1 1 1 A 14 14 LYS CB C 14 32.100 32.365 -0.265 1
1 176 . 1 1 1 A 14 14 LYS N N 14 120.400 121.435 -1.035 1
1 177 . 1 1 1 A 15 15 ILE H H 15 7.830 8.053 -0.223 1
1 178 . 1 1 1 A 15 15 ILE HA H 15 3.630 3.663 -0.033 1
1 188 . 1 1 1 A 15 15 ILE C C 15 178.200 178.189 0.011 1
1 189 . 1 1 1 A 15 15 ILE CA C 15 65.700 65.574 0.126 1
1 190 . 1 1 1 A 15 15 ILE CB C 15 37.500 37.584 -0.084 1
1 194 . 1 1 1 A 15 15 ILE N N 15 119.700 120.246 -0.546 1
1 195 . 1 1 1 A 16 16 ILE H H 16 8.080 8.259 -0.179 1
1 196 . 1 1 1 A 16 16 ILE HA H 16 3.360 3.510 -0.150 1
1 206 . 1 1 1 A 16 16 ILE C C 16 177.500 178.072 -0.572 1
1 207 . 1 1 1 A 16 16 ILE CA C 16 66.600 65.262 1.338 1
1 208 . 1 1 1 A 16 16 ILE CB C 16 38.300 37.607 0.693 1
1 212 . 1 1 1 A 16 16 ILE N N 16 117.900 121.059 -3.159 1
1 213 . 1 1 1 A 17 17 GLN H H 17 8.010 8.545 -0.535 1
1 214 . 1 1 1 A 17 17 GLN HA H 17 3.830 3.905 -0.075 1
1 221 . 1 1 1 A 17 17 GLN C C 17 178.000 177.933 0.067 1
1 222 . 1 1 1 A 17 17 GLN CA C 17 58.400 59.500 -1.100 1
1 223 . 1 1 1 A 17 17 GLN CB C 17 28.100 28.247 -0.147 1
1 225 . 1 1 1 A 17 17 GLN N N 17 117.900 120.391 -2.491 1
1 227 . 1 1 1 A 18 18 ASP H H 18 8.710 8.195 0.515 1
1 228 . 1 1 1 A 18 18 ASP HA H 18 4.400 4.381 0.019 1
1 231 . 1 1 1 A 18 18 ASP C C 18 179.800 178.696 1.104 1
1 232 . 1 1 1 A 18 18 ASP CA C 18 57.400 57.371 0.029 1
1 233 . 1 1 1 A 18 18 ASP CB C 18 39.900 41.240 -1.340 1
1 234 . 1 1 1 A 18 18 ASP N N 18 121.000 120.258 0.742 1
1 235 . 1 1 1 A 19 19 LEU H H 19 8.260 8.345 -0.085 1
1 236 . 1 1 1 A 19 19 LEU HA H 19 4.010 3.970 0.040 1
1 246 . 1 1 1 A 19 19 LEU C C 19 178.200 179.293 -1.093 1
1 247 . 1 1 1 A 19 19 LEU CA C 19 58.100 58.327 -0.227 1
1 248 . 1 1 1 A 19 19 LEU CB C 19 42.400 41.593 0.807 1
1 252 . 1 1 1 A 19 19 LEU N N 19 120.800 120.163 0.637 1
1 253 . 1 1 1 A 20 20 LEU H H 20 8.160 8.234 -0.074 1
1 254 . 1 1 1 A 20 20 LEU HA H 20 3.940 3.950 -0.010 1
1 264 . 1 1 1 A 20 20 LEU C C 20 180.100 179.016 1.084 1
1 265 . 1 1 1 A 20 20 LEU CA C 20 57.900 58.170 -0.270 1
1 266 . 1 1 1 A 20 20 LEU CB C 20 40.800 41.286 -0.486 1
1 270 . 1 1 1 A 20 20 LEU N N 20 117.300 119.157 -1.857 1
1 271 . 1 1 1 A 21 21 ASP H H 21 9.000 8.477 0.523 1
1 272 . 1 1 1 A 21 21 ASP HA H 21 4.420 4.420 0.000 1
1 275 . 1 1 1 A 21 21 ASP C C 21 179.000 178.946 0.054 1
1 276 . 1 1 1 A 21 21 ASP CA C 21 57.300 57.566 -0.266 1
1 277 . 1 1 1 A 21 21 ASP CB C 21 40.500 40.620 -0.120 1
1 278 . 1 1 1 A 21 21 ASP N N 21 120.000 119.906 0.094 1
1 279 . 1 1 1 A 22 22 VAL H H 22 7.370 8.118 -0.748 1
1 280 . 1 1 1 A 22 22 VAL HA H 22 3.600 3.571 0.029 1
1 288 . 1 1 1 A 22 22 VAL C C 22 177.700 178.250 -0.550 1
1 289 . 1 1 1 A 22 22 VAL CA C 22 66.300 66.642 -0.342 1
1 290 . 1 1 1 A 22 22 VAL CB C 22 32.000 31.788 0.212 1
1 293 . 1 1 1 A 22 22 VAL N N 22 119.800 120.125 -0.325 1
1 294 . 1 1 1 A 23 23 LEU H H 23 6.880 8.113 -1.233 1
1 295 . 1 1 1 A 23 23 LEU HA H 23 3.880 3.964 -0.084 1
1 305 . 1 1 1 A 23 23 LEU C C 23 179.100 178.933 0.167 1
1 306 . 1 1 1 A 23 23 LEU CA C 23 57.100 58.090 -0.990 1
1 307 . 1 1 1 A 23 23 LEU CB C 23 40.600 41.839 -1.239 1
1 311 . 1 1 1 A 23 23 LEU N N 23 116.500 118.054 -1.554 1
1 312 . 1 1 1 A 24 24 VAL H H 24 8.430 8.497 -0.067 1
1 313 . 1 1 1 A 24 24 VAL HA H 24 3.780 3.558 0.222 1
1 321 . 1 1 1 A 24 24 VAL C C 24 180.800 178.305 2.495 1
1 322 . 1 1 1 A 24 24 VAL CA C 24 65.900 66.809 -0.909 1
1 323 . 1 1 1 A 24 24 VAL CB C 24 32.200 31.510 0.690 1
1 326 . 1 1 1 A 24 24 VAL N N 24 120.300 119.607 0.693 1
1 327 . 1 1 1 A 25 25 LYS H H 25 8.380 8.333 0.047 1
1 328 . 1 1 1 A 25 25 LYS HA H 25 4.030 4.098 -0.068 1
1 337 . 1 1 1 A 25 25 LYS C C 25 178.500 177.684 0.816 1
1 338 . 1 1 1 A 25 25 LYS CA C 25 59.400 58.537 0.863 1
1 339 . 1 1 1 A 25 25 LYS CB C 25 32.300 31.365 0.935 1
1 343 . 1 1 1 A 25 25 LYS N N 25 121.900 119.787 2.113 1
1 344 . 1 1 1 A 26 26 GLU H H 26 7.360 7.510 -0.150 1
1 345 . 1 1 1 A 26 26 GLU HA H 26 4.330 4.375 -0.045 1
1 350 . 1 1 1 A 26 26 GLU C C 26 175.000 175.729 -0.729 1
1 351 . 1 1 1 A 26 26 GLU CA C 26 56.000 56.513 -0.513 1
1 352 . 1 1 1 A 26 26 GLU CB C 26 29.800 30.093 -0.293 1
1 354 . 1 1 1 A 26 26 GLU N N 26 115.000 117.572 -2.572 1
1 355 . 1 1 1 A 27 27 GLU H H 27 7.980 7.972 0.008 1
1 356 . 1 1 1 A 27 27 GLU HA H 27 3.950 3.825 0.125 1
1 361 . 1 1 1 A 27 27 GLU C C 27 175.900 174.977 0.923 1
1 362 . 1 1 1 A 27 27 GLU CA C 27 56.900 57.284 -0.384 1
1 363 . 1 1 1 A 27 27 GLU CB C 27 27.100 27.714 -0.614 1
1 365 . 1 1 1 A 27 27 GLU N N 27 116.300 117.038 -0.738 1
1 366 . 1 1 1 A 28 28 VAL H H 28 7.370 7.414 -0.044 1
1 367 . 1 1 1 A 28 28 VAL HA H 28 4.200 4.270 -0.070 1
1 375 . 1 1 1 A 28 28 VAL C C 28 176.700 176.075 0.625 1
1 376 . 1 1 1 A 28 28 VAL CA C 28 61.600 61.460 0.140 1
1 377 . 1 1 1 A 28 28 VAL CB C 28 32.600 32.722 -0.122 1
1 380 . 1 1 1 A 28 28 VAL N N 28 112.200 115.401 -3.201 1
1 381 . 1 1 1 A 29 29 THR H H 29 7.400 8.745 -1.345 1
1 382 . 1 1 1 A 29 29 THR HA H 29 4.640 5.010 -0.370 1
1 387 . 1 1 1 A 29 29 THR CA C 29 59.900 59.437 0.463 1
1 388 . 1 1 1 A 29 29 THR CB C 29 67.900 69.589 -1.689 1
1 390 . 1 1 1 A 29 29 THR N N 29 113.900 114.538 -0.638 1
1 391 . 1 1 1 A 30 30 PRO HA H 30 4.130 4.210 -0.080 1
1 398 . 1 1 1 A 30 30 PRO C C 30 177.600 178.474 -0.874 1
1 399 . 1 1 1 A 30 30 PRO CA C 30 66.300 65.744 0.556 1
1 400 . 1 1 1 A 30 30 PRO CB C 30 31.500 31.730 -0.230 1
1 403 . 1 1 1 A 31 31 ASP H H 31 8.390 8.300 0.090 1
1 404 . 1 1 1 A 31 31 ASP HA H 31 4.240 4.336 -0.096 1
1 407 . 1 1 1 A 31 31 ASP C C 31 178.900 178.812 0.088 1
1 408 . 1 1 1 A 31 31 ASP CA C 31 57.000 57.581 -0.581 1
1 409 . 1 1 1 A 31 31 ASP CB C 31 40.000 40.481 -0.481 1
1 410 . 1 1 1 A 31 31 ASP N N 31 113.200 117.393 -4.193 1
1 411 . 1 1 1 A 32 32 LEU H H 32 7.460 7.698 -0.238 1
1 412 . 1 1 1 A 32 32 LEU HA H 32 4.190 4.082 0.108 1
1 422 . 1 1 1 A 32 32 LEU C C 32 178.900 178.446 0.454 1
1 423 . 1 1 1 A 32 32 LEU CA C 32 57.000 57.778 -0.778 1
1 424 . 1 1 1 A 32 32 LEU CB C 32 41.300 41.353 -0.053 1
1 428 . 1 1 1 A 32 32 LEU N N 32 123.000 121.089 1.911 1
1 429 . 1 1 1 A 33 33 ALA H H 33 8.930 8.546 0.384 1
1 430 . 1 1 1 A 33 33 ALA HA H 33 3.730 4.150 -0.420 1
1 434 . 1 1 1 A 33 33 ALA C C 33 179.800 180.014 -0.214 1
1 435 . 1 1 1 A 33 33 ALA CA C 33 55.900 55.333 0.567 1
1 436 . 1 1 1 A 33 33 ALA CB C 33 19.100 18.483 0.617 1
1 437 . 1 1 1 A 33 33 ALA N N 33 122.700 121.002 1.698 1
1 438 . 1 1 1 A 34 34 LEU H H 34 8.420 8.153 0.267 1
1 439 . 1 1 1 A 34 34 LEU HA H 34 4.010 3.922 0.088 1
1 449 . 1 1 1 A 34 34 LEU C C 34 179.700 179.067 0.633 1
1 450 . 1 1 1 A 34 34 LEU CA C 34 58.200 57.951 0.249 1
1 451 . 1 1 1 A 34 34 LEU CB C 34 41.200 41.445 -0.245 1
1 455 . 1 1 1 A 34 34 LEU N N 34 115.800 118.101 -2.301 1
1 456 . 1 1 1 A 35 35 MET H H 35 7.730 8.345 -0.615 1
1 457 . 1 1 1 A 35 35 MET HA H 35 4.240 4.158 0.082 1
1 465 . 1 1 1 A 35 35 MET C C 35 179.500 178.132 1.368 1
1 466 . 1 1 1 A 35 35 MET CA C 35 59.300 58.575 0.725 1
1 467 . 1 1 1 A 35 35 MET CB C 35 32.900 32.254 0.646 1
1 470 . 1 1 1 A 35 35 MET N N 35 121.400 118.486 2.914 1
1 471 . 1 1 1 A 36 36 CYS H H 36 8.420 8.502 -0.082 1
1 472 . 1 1 1 A 36 36 CYS HA H 36 3.950 4.133 -0.183 1
1 475 . 1 1 1 A 36 36 CYS C C 36 177.000 177.176 -0.176 1
1 476 . 1 1 1 A 36 36 CYS CA C 36 64.200 63.584 0.616 1
1 477 . 1 1 1 A 36 36 CYS CB C 36 27.200 27.837 -0.637 1
1 478 . 1 1 1 A 36 36 CYS N N 36 118.600 117.788 0.812 1
1 479 . 1 1 1 A 37 37 LEU H H 37 9.020 8.585 0.435 1
1 480 . 1 1 1 A 37 37 LEU HA H 37 3.940 4.005 -0.065 1
1 490 . 1 1 1 A 37 37 LEU C C 37 179.100 179.161 -0.061 1
1 491 . 1 1 1 A 37 37 LEU CA C 37 58.300 58.271 0.029 1
1 492 . 1 1 1 A 37 37 LEU CB C 37 42.200 41.795 0.405 1
1 496 . 1 1 1 A 37 37 LEU N N 37 119.600 120.875 -1.275 1
1 497 . 1 1 1 A 38 38 GLY H H 38 8.940 8.735 0.205 1
1 498 . 1 1 1 A 38 38 GLY HA2 H 38 3.610 3.756 -0.146 1
1 499 . 1 1 1 A 38 38 GLY HA3 H 38 3.970 3.772 0.198 1
1 500 . 1 1 1 A 38 38 GLY C C 38 179.800 175.907 3.893 1
1 501 . 1 1 1 A 38 38 GLY CA C 38 47.900 47.583 0.317 1
1 502 . 1 1 1 A 38 38 GLY N N 38 106.600 106.267 0.333 1
1 503 . 1 1 1 A 39 39 ASN H H 39 7.790 7.487 0.303 1
1 504 . 1 1 1 A 39 39 ASN HA H 39 4.440 4.454 -0.014 1
1 509 . 1 1 1 A 39 39 ASN C C 39 178.000 177.858 0.142 1
1 510 . 1 1 1 A 39 39 ASN CA C 39 56.300 56.206 0.094 1
1 511 . 1 1 1 A 39 39 ASN CB C 39 39.500 38.083 1.417 1
1 513 . 1 1 1 A 39 39 ASN N N 39 120.900 120.150 0.750 1
1 515 . 1 1 1 A 40 40 ALA H H 40 8.260 7.795 0.465 1
1 516 . 1 1 1 A 40 40 ALA HA H 40 3.970 4.105 -0.135 1
1 520 . 1 1 1 A 40 40 ALA C C 40 178.200 179.697 -1.497 1
1 521 . 1 1 1 A 40 40 ALA CA C 40 55.900 55.150 0.750 1
1 522 . 1 1 1 A 40 40 ALA CB C 40 17.200 18.351 -1.151 1
1 523 . 1 1 1 A 40 40 ALA N N 40 123.900 123.387 0.513 1
1 524 . 1 1 1 A 41 41 VAL H H 41 8.410 8.520 -0.110 1
1 525 . 1 1 1 A 41 41 VAL HA H 41 3.180 3.334 -0.154 1
1 533 . 1 1 1 A 41 41 VAL C C 41 177.800 178.619 -0.819 1
1 534 . 1 1 1 A 41 41 VAL CA C 41 67.000 67.167 -0.167 1
1 535 . 1 1 1 A 41 41 VAL CB C 41 30.900 31.506 -0.606 1
1 538 . 1 1 1 A 41 41 VAL N N 41 116.900 117.078 -0.178 1
1 539 . 1 1 1 A 42 42 THR H H 42 8.210 8.137 0.073 1
1 540 . 1 1 1 A 42 42 THR HA H 42 3.430 3.777 -0.347 1
1 545 . 1 1 1 A 42 42 THR C C 42 175.900 176.413 -0.513 1
1 546 . 1 1 1 A 42 42 THR CA C 42 67.500 67.149 0.351 1
1 547 . 1 1 1 A 42 42 THR CB C 42 68.000 68.400 -0.400 1
1 549 . 1 1 1 A 42 42 THR N N 42 114.800 116.918 -2.118 1
1 550 . 1 1 1 A 43 43 ASN H H 43 7.600 8.150 -0.550 1
1 551 . 1 1 1 A 43 43 ASN HA H 43 4.170 4.454 -0.284 1
1 556 . 1 1 1 A 43 43 ASN C C 43 177.300 177.916 -0.616 1
1 557 . 1 1 1 A 43 43 ASN CA C 43 57.000 56.347 0.653 1
1 558 . 1 1 1 A 43 43 ASN CB C 43 39.400 39.067 0.333 1
1 560 . 1 1 1 A 43 43 ASN N N 43 120.300 118.780 1.520 1
1 562 . 1 1 1 A 44 44 ILE H H 44 7.630 7.504 0.126 1
1 563 . 1 1 1 A 44 44 ILE HA H 44 3.770 3.653 0.117 1
1 573 . 1 1 1 A 44 44 ILE C C 44 179.200 178.597 0.603 1
1 574 . 1 1 1 A 44 44 ILE CA C 44 62.100 64.960 -2.860 1
1 575 . 1 1 1 A 44 44 ILE CB C 44 35.700 37.864 -2.164 1
1 579 . 1 1 1 A 44 44 ILE N N 44 119.700 119.387 0.313 1
1 580 . 1 1 1 A 45 45 ILE H H 45 8.460 8.304 0.156 1
1 581 . 1 1 1 A 45 45 ILE HA H 45 3.550 3.792 -0.242 1
1 591 . 1 1 1 A 45 45 ILE C C 45 177.100 177.541 -0.441 1
1 592 . 1 1 1 A 45 45 ILE CA C 45 65.100 64.209 0.891 1
1 593 . 1 1 1 A 45 45 ILE CB C 45 36.600 36.938 -0.338 1
1 597 . 1 1 1 A 45 45 ILE N N 45 120.300 119.814 0.486 1
1 598 . 1 1 1 A 46 46 ALA H H 46 7.750 7.697 0.053 1
1 599 . 1 1 1 A 46 46 ALA HA H 46 3.950 4.135 -0.185 1
1 603 . 1 1 1 A 46 46 ALA C C 46 178.000 178.015 -0.015 1
1 604 . 1 1 1 A 46 46 ALA CA C 46 54.000 53.942 0.058 1
1 605 . 1 1 1 A 46 46 ALA CB C 46 17.900 18.279 -0.379 1
1 606 . 1 1 1 A 46 46 ALA N N 46 120.000 124.070 -4.070 1
1 607 . 1 1 1 A 47 47 GLN H H 47 7.610 7.632 -0.022 1
1 608 . 1 1 1 A 47 47 GLN HA H 47 4.190 4.377 -0.187 1
1 615 . 1 1 1 A 47 47 GLN C C 47 177.100 175.366 1.734 1
1 616 . 1 1 1 A 47 47 GLN CA C 47 56.000 55.895 0.105 1
1 617 . 1 1 1 A 47 47 GLN CB C 47 29.000 29.639 -0.639 1
1 620 . 1 1 1 A 47 47 GLN N N 47 114.000 115.142 -1.142 1
1 622 . 1 1 1 A 48 48 VAL H H 48 7.740 7.411 0.329 1
1 623 . 1 1 1 A 48 48 VAL HA H 48 4.390 4.213 0.177 1
1 631 . 1 1 1 A 48 48 VAL CA C 48 59.900 58.948 0.952 1
1 632 . 1 1 1 A 48 48 VAL CB C 48 31.900 32.236 -0.336 1
1 635 . 1 1 1 A 48 48 VAL N N 48 122.400 121.523 0.877 1
1 636 . 1 1 1 A 49 49 PRO HA H 49 4.340 4.495 -0.155 1
1 643 . 1 1 1 A 49 49 PRO C C 49 177.700 177.878 -0.178 1
1 644 . 1 1 1 A 49 49 PRO CA C 49 63.700 63.358 0.342 1
1 645 . 1 1 1 A 49 49 PRO CB C 49 32.300 32.613 -0.313 1
1 648 . 1 1 1 A 50 50 GLU H H 50 8.960 8.636 0.324 1
1 649 . 1 1 1 A 50 50 GLU HA H 50 3.580 3.936 -0.356 1
1 654 . 1 1 1 A 50 50 GLU C C 50 178.300 178.913 -0.613 1
1 655 . 1 1 1 A 50 50 GLU CA C 50 60.800 59.645 1.155 1
1 656 . 1 1 1 A 50 50 GLU CB C 50 29.900 29.440 0.460 1
1 658 . 1 1 1 A 50 50 GLU N N 50 124.400 123.122 1.278 1
1 659 . 1 1 1 A 51 51 SER H H 51 8.640 8.030 0.610 1
1 660 . 1 1 1 A 51 51 SER HA H 51 4.240 4.290 -0.050 1
1 663 . 1 1 1 A 51 51 SER C C 51 175.200 174.835 0.365 1
1 664 . 1 1 1 A 51 51 SER CA C 51 60.600 60.673 -0.073 1
1 665 . 1 1 1 A 51 51 SER CB C 51 62.600 62.834 -0.234 1
1 666 . 1 1 1 A 51 51 SER N N 51 112.000 115.242 -3.242 1
1 667 . 1 1 1 A 52 52 LYS H H 52 7.950 8.184 -0.234 1
1 668 . 1 1 1 A 52 52 LYS HA H 52 4.650 4.573 0.077 1
1 677 . 1 1 1 A 52 52 LYS C C 52 176.700 177.729 -1.029 1
1 678 . 1 1 1 A 52 52 LYS CA C 52 55.500 55.392 0.108 1
1 679 . 1 1 1 A 52 52 LYS CB C 52 34.000 33.281 0.719 1
1 683 . 1 1 1 A 52 52 LYS N N 52 119.600 116.922 2.678 1
1 684 . 1 1 1 A 53 53 ARG H H 53 7.290 7.911 -0.621 1
1 685 . 1 1 1 A 53 53 ARG HA H 53 3.530 4.096 -0.566 1
1 695 . 1 1 1 A 53 53 ARG C C 53 177.300 178.519 -1.219 1
1 696 . 1 1 1 A 53 53 ARG CA C 53 61.700 58.704 2.996 1
1 697 . 1 1 1 A 53 53 ARG CB C 53 30.800 30.068 0.732 1
1 700 . 1 1 1 A 53 53 ARG N N 53 119.000 120.612 -1.612 1
1 702 . 1 1 1 A 54 54 VAL H H 54 8.440 7.905 0.535 1
1 703 . 1 1 1 A 54 54 VAL HA H 54 3.460 3.681 -0.221 1
1 711 . 1 1 1 A 54 54 VAL C C 54 177.400 177.721 -0.321 1
1 712 . 1 1 1 A 54 54 VAL CA C 54 67.200 66.030 1.170 1
1 713 . 1 1 1 A 54 54 VAL CB C 54 31.000 31.058 -0.058 1
1 716 . 1 1 1 A 54 54 VAL N N 54 118.400 119.871 -1.471 1
1 717 . 1 1 1 A 55 55 ALA H H 55 8.120 8.023 0.097 1
1 718 . 1 1 1 A 55 55 ALA HA H 55 4.180 4.075 0.105 1
1 722 . 1 1 1 A 55 55 ALA C C 55 180.700 179.686 1.014 1
1 723 . 1 1 1 A 55 55 ALA CA C 55 55.000 55.297 -0.297 1
1 724 . 1 1 1 A 55 55 ALA CB C 55 17.900 18.182 -0.282 1
1 725 . 1 1 1 A 55 55 ALA N N 55 122.300 122.648 -0.348 1
1 726 . 1 1 1 A 56 56 VAL H H 56 8.040 7.858 0.182 1
1 727 . 1 1 1 A 56 56 VAL HA H 56 3.780 3.685 0.095 1
1 735 . 1 1 1 A 56 56 VAL C C 56 179.400 178.101 1.299 1
1 736 . 1 1 1 A 56 56 VAL CA C 56 66.700 65.714 0.986 1
1 737 . 1 1 1 A 56 56 VAL CB C 56 31.400 31.705 -0.305 1
1 740 . 1 1 1 A 56 56 VAL N N 56 117.900 116.994 0.906 1
1 741 . 1 1 1 A 57 57 VAL H H 57 8.510 7.641 0.869 1
1 742 . 1 1 1 A 57 57 VAL HA H 57 3.760 3.866 -0.106 1
1 750 . 1 1 1 A 57 57 VAL C C 57 177.900 177.254 0.646 1
1 751 . 1 1 1 A 57 57 VAL CA C 57 66.700 65.110 1.590 1
1 752 . 1 1 1 A 57 57 VAL CB C 57 31.400 31.477 -0.077 1
1 755 . 1 1 1 A 57 57 VAL N N 57 121.600 122.428 -0.828 1
1 756 . 1 1 1 A 58 58 ASP H H 58 8.800 8.039 0.761 1
1 757 . 1 1 1 A 58 58 ASP HA H 58 4.420 4.495 -0.075 1
1 760 . 1 1 1 A 58 58 ASP C C 58 178.500 178.894 -0.394 1
1 761 . 1 1 1 A 58 58 ASP CA C 58 57.800 57.599 0.201 1
1 762 . 1 1 1 A 58 58 ASP CB C 58 40.000 41.320 -1.320 1
1 763 . 1 1 1 A 58 58 ASP N N 58 124.800 121.598 3.202 1
1 764 . 1 1 1 A 59 59 ASN H H 59 8.500 8.155 0.345 1
1 765 . 1 1 1 A 59 59 ASN HA H 59 4.460 4.489 -0.029 1
1 770 . 1 1 1 A 59 59 ASN C C 59 177.700 177.777 -0.077 1
1 771 . 1 1 1 A 59 59 ASN CA C 59 56.500 56.281 0.219 1
1 772 . 1 1 1 A 59 59 ASN CB C 59 38.300 37.862 0.438 1
1 774 . 1 1 1 A 59 59 ASN N N 59 118.800 117.155 1.645 1
1 776 . 1 1 1 A 60 60 PHE H H 60 8.540 8.117 0.423 1
1 777 . 1 1 1 A 60 60 PHE HA H 60 4.210 4.167 0.043 1
1 785 . 1 1 1 A 60 60 PHE C C 60 177.700 177.230 0.470 1
1 786 . 1 1 1 A 60 60 PHE CA C 60 61.600 61.562 0.038 1
1 787 . 1 1 1 A 60 60 PHE CB C 60 39.800 39.353 0.447 1
1 793 . 1 1 1 A 60 60 PHE N N 60 121.800 122.708 -0.908 1
1 794 . 1 1 1 A 61 61 THR H H 61 8.820 8.509 0.311 1
1 795 . 1 1 1 A 61 61 THR HA H 61 3.820 3.908 -0.088 1
1 801 . 1 1 1 A 61 61 THR C C 61 176.700 176.653 0.047 1
1 802 . 1 1 1 A 61 61 THR CA C 61 66.200 66.243 -0.043 1
1 803 . 1 1 1 A 61 61 THR CB C 61 68.400 68.588 -0.188 1
1 805 . 1 1 1 A 61 61 THR N N 61 112.200 110.756 1.444 1
1 806 . 1 1 1 A 62 62 LYS H H 62 8.190 8.343 -0.153 1
1 807 . 1 1 1 A 62 62 LYS HA H 62 4.010 3.924 0.086 1
1 816 . 1 1 1 A 62 62 LYS C C 62 179.100 178.453 0.647 1
1 817 . 1 1 1 A 62 62 LYS CA C 62 60.100 59.362 0.738 1
1 818 . 1 1 1 A 62 62 LYS CB C 62 32.500 32.289 0.211 1
1 822 . 1 1 1 A 62 62 LYS N N 62 124.000 121.984 2.016 1
1 823 . 1 1 1 A 63 63 ALA H H 63 7.800 8.131 -0.331 1
1 824 . 1 1 1 A 63 63 ALA HA H 63 4.070 4.032 0.038 1
1 828 . 1 1 1 A 63 63 ALA C C 63 180.400 179.928 0.472 1
1 829 . 1 1 1 A 63 63 ALA CA C 63 54.700 54.986 -0.286 1
1 830 . 1 1 1 A 63 63 ALA CB C 63 17.800 18.264 -0.464 1
1 831 . 1 1 1 A 63 63 ALA N N 63 121.500 120.570 0.930 1
1 832 . 1 1 1 A 64 64 LEU H H 64 7.850 8.011 -0.161 1
1 833 . 1 1 1 A 64 64 LEU HA H 64 3.900 3.750 0.150 1
1 843 . 1 1 1 A 64 64 LEU C C 64 178.600 178.915 -0.315 1
1 844 . 1 1 1 A 64 64 LEU CA C 64 57.300 58.057 -0.757 1
1 845 . 1 1 1 A 64 64 LEU CB C 64 41.900 41.681 0.219 1
1 849 . 1 1 1 A 64 64 LEU N N 64 120.100 119.154 0.946 1
1 850 . 1 1 1 A 65 65 LYS H H 65 7.970 7.758 0.212 1
1 851 . 1 1 1 A 65 65 LYS HA H 65 3.730 3.983 -0.253 1
1 860 . 1 1 1 A 65 65 LYS C C 65 178.300 179.704 -1.404 1
1 861 . 1 1 1 A 65 65 LYS CA C 65 60.400 59.690 0.710 1
1 862 . 1 1 1 A 65 65 LYS CB C 65 31.900 31.948 -0.048 1
1 866 . 1 1 1 A 65 65 LYS N N 65 118.100 117.449 0.651 1
1 867 . 1 1 1 A 66 66 GLN H H 66 7.820 7.944 -0.124 1
1 868 . 1 1 1 A 66 66 GLN HA H 66 3.950 4.014 -0.064 1
1 875 . 1 1 1 A 66 66 GLN C C 66 178.000 178.663 -0.663 1
1 876 . 1 1 1 A 66 66 GLN CA C 66 58.700 59.021 -0.321 1
1 877 . 1 1 1 A 66 66 GLN CB C 66 28.200 28.452 -0.252 1
1 880 . 1 1 1 A 66 66 GLN N N 66 116.800 119.967 -3.167 1
1 882 . 1 1 1 A 67 67 SER H H 67 8.060 8.201 -0.141 1
1 883 . 1 1 1 A 67 67 SER HA H 67 4.150 4.151 -0.001 1
1 886 . 1 1 1 A 67 67 SER C C 67 176.900 175.930 0.970 1
1 887 . 1 1 1 A 67 67 SER CA C 67 61.500 62.664 -1.164 1
1 888 . 1 1 1 A 67 67 SER CB C 67 63.000 62.898 0.102 1
1 889 . 1 1 1 A 67 67 SER N N 67 114.200 116.868 -2.668 1
1 890 . 1 1 1 A 68 68 VAL H H 68 7.860 8.069 -0.209 1
1 891 . 1 1 1 A 68 68 VAL HA H 68 3.850 3.627 0.223 1
1 899 . 1 1 1 A 68 68 VAL C C 68 177.600 178.039 -0.439 1
1 900 . 1 1 1 A 68 68 VAL CA C 68 64.900 66.616 -1.716 1
1 901 . 1 1 1 A 68 68 VAL CB C 68 32.000 31.417 0.583 1
1 904 . 1 1 1 A 68 68 VAL N N 68 119.300 121.708 -2.408 1
1 905 . 1 1 1 A 69 69 LEU H H 69 7.880 7.718 0.162 1
1 906 . 1 1 1 A 69 69 LEU HA H 69 4.150 4.054 0.096 1
1 916 . 1 1 1 A 69 69 LEU C C 69 178.400 178.996 -0.596 1
1 917 . 1 1 1 A 69 69 LEU CA C 69 56.500 57.127 -0.627 1
1 918 . 1 1 1 A 69 69 LEU CB C 69 41.800 41.707 0.093 1
1 922 . 1 1 1 A 69 69 LEU N N 69 119.800 119.340 0.460 1
1 923 . 1 1 1 A 70 70 GLU H H 70 7.820 8.204 -0.384 1
1 924 . 1 1 1 A 70 70 GLU HA H 70 4.130 4.104 0.026 1
1 929 . 1 1 1 A 70 70 GLU C C 70 176.700 177.509 -0.809 1
1 930 . 1 1 1 A 70 70 GLU CA C 70 56.900 59.225 -2.325 1
1 931 . 1 1 1 A 70 70 GLU CB C 70 29.800 29.994 -0.194 1
1 933 . 1 1 1 A 70 70 GLU N N 70 118.000 120.064 -2.064 1
1 934 . 1 1 1 A 71 71 HIS H H 71 7.950 7.790 0.160 1
1 935 . 1 1 1 A 71 71 HIS HA H 71 4.460 4.547 -0.087 1
1 938 . 1 1 1 A 71 71 HIS C C 71 174.700 174.491 0.209 1
1 939 . 1 1 1 A 71 71 HIS CA C 71 56.300 53.690 2.610 1
1 940 . 1 1 1 A 71 71 HIS CB C 71 28.800 28.281 0.519 1
1 941 . 1 1 1 A 71 71 HIS N N 71 117.800 118.899 -1.099 1
1 942 . 1 1 1 A 72 72 HIS H H 72 8.260 7.936 0.324 1
1 943 . 1 1 1 A 72 72 HIS HA H 72 4.590 4.457 0.133 1
1 946 . 1 1 1 A 72 72 HIS C C 72 174.500 175.408 -0.908 1
1 947 . 1 1 1 A 72 72 HIS CA C 72 55.700 58.054 -2.354 1
1 948 . 1 1 1 A 72 72 HIS CB C 72 29.600 31.362 -1.762 1
1 949 . 1 1 1 A 72 72 HIS N N 72 119.100 123.549 -4.449 1
1 950 . 1 1 1 A 73 73 HIS H H 73 8.420 7.477 0.943 1
1 951 . 1 1 1 A 73 73 HIS HA H 73 4.580 4.613 -0.033 1
1 954 . 1 1 1 A 73 73 HIS C C 73 174.400 175.689 -1.289 1
1 955 . 1 1 1 A 73 73 HIS CA C 73 55.500 54.459 1.041 1
1 956 . 1 1 1 A 73 73 HIS CB C 73 29.600 32.438 -2.838 1
1 957 . 1 1 1 A 73 73 HIS N N 73 119.700 115.898 3.802 1
1 958 . 1 1 1 A 74 74 HIS H H 74 8.470 9.210 -0.740 1
1 959 . 1 1 1 A 74 74 HIS HA H 74 4.570 3.869 0.701 1
1 962 . 1 1 1 A 74 74 HIS C C 74 173.600 175.368 -1.768 1
1 963 . 1 1 1 A 74 74 HIS CA C 74 55.600 60.101 -4.501 1
1 964 . 1 1 1 A 74 74 HIS CB C 74 29.500 30.404 -0.904 1
1 965 . 1 1 1 A 74 74 HIS N N 74 120.500 120.083 0.417 1
1 966 . 1 1 1 A 75 75 HIS H H 75 8.290 7.730 0.560 1
1 967 . 1 1 1 A 75 75 HIS HA H 75 4.400 4.720 -0.320 1
1 970 . 1 1 1 A 75 75 HIS CA C 75 57.100 56.993 0.107 1
1 971 . 1 1 1 A 75 75 HIS CB C 75 29.700 31.726 -2.026 1
1 1 . 2 1 1 A 2 2 PRO HA H 2 4.400 4.597 -0.197 1
1 8 . 2 1 1 A 2 2 PRO C C 2 172.300 175.262 -2.962 1
1 9 . 2 1 1 A 2 2 PRO CA C 2 62.200 62.696 -0.496 1
1 10 . 2 1 1 A 2 2 PRO CB C 2 32.600 30.352 2.248 1
1 13 . 2 1 1 A 3 3 ILE H H 3 8.630 8.024 0.606 1
1 14 . 2 1 1 A 3 3 ILE HA H 3 4.190 4.442 -0.252 1
1 24 . 2 1 1 A 3 3 ILE C C 3 176.100 173.888 2.212 1
1 25 . 2 1 1 A 3 3 ILE CA C 3 61.500 60.160 1.340 1
1 26 . 2 1 1 A 3 3 ILE CB C 3 38.600 41.035 -2.435 1
1 30 . 2 1 1 A 3 3 ILE N N 3 120.700 124.846 -4.146 1
1 31 . 2 1 1 A 4 4 VAL H H 4 8.380 8.556 -0.176 1
1 32 . 2 1 1 A 4 4 VAL HA H 4 4.140 4.419 -0.279 1
1 40 . 2 1 1 A 4 4 VAL C C 4 175.800 175.143 0.657 1
1 41 . 2 1 1 A 4 4 VAL CA C 4 62.100 60.292 1.808 1
1 42 . 2 1 1 A 4 4 VAL CB C 4 32.800 34.112 -1.312 1
1 45 . 2 1 1 A 4 4 VAL N N 4 125.500 125.957 -0.457 1
1 46 . 2 1 1 A 5 5 SER H H 5 8.450 8.557 -0.107 1
1 47 . 2 1 1 A 5 5 SER HA H 5 4.420 4.157 0.263 1
1 50 . 2 1 1 A 5 5 SER C C 5 174.300 174.722 -0.422 1
1 51 . 2 1 1 A 5 5 SER CA C 5 57.900 59.659 -1.759 1
1 52 . 2 1 1 A 5 5 SER CB C 5 64.000 62.683 1.317 1
1 53 . 2 1 1 A 5 5 SER N N 5 120.500 119.770 0.730 1
1 54 . 2 1 1 A 6 6 LYS H H 6 8.330 8.184 0.146 1
1 55 . 2 1 1 A 6 6 LYS HA H 6 4.150 4.384 -0.234 1
1 64 . 2 1 1 A 6 6 LYS C C 6 176.000 175.720 0.280 1
1 65 . 2 1 1 A 6 6 LYS CA C 6 56.800 57.238 -0.438 1
1 66 . 2 1 1 A 6 6 LYS CB C 6 33.000 35.164 -2.164 1
1 70 . 2 1 1 A 6 6 LYS N N 6 123.400 125.685 -2.285 1
1 71 . 2 1 1 A 7 7 TYR H H 7 8.150 7.832 0.318 1
1 72 . 2 1 1 A 7 7 TYR HA H 7 4.640 4.333 0.307 1
1 79 . 2 1 1 A 7 7 TYR C C 7 175.400 174.234 1.166 1
1 80 . 2 1 1 A 7 7 TYR CA C 7 56.700 60.071 -3.371 1
1 81 . 2 1 1 A 7 7 TYR CB C 7 39.300 37.019 2.281 1
1 86 . 2 1 1 A 7 7 TYR N N 7 120.000 119.205 0.795 1
1 87 . 2 1 1 A 8 8 SER H H 8 8.360 8.490 -0.130 1
1 88 . 2 1 1 A 8 8 SER HA H 8 4.400 5.117 -0.717 1
1 91 . 2 1 1 A 8 8 SER C C 8 174.700 174.494 0.206 1
1 92 . 2 1 1 A 8 8 SER CA C 8 57.600 56.282 1.318 1
1 93 . 2 1 1 A 8 8 SER CB C 8 64.000 65.037 -1.037 1
1 94 . 2 1 1 A 8 8 SER N N 8 118.100 118.291 -0.191 1
1 95 . 2 1 1 A 9 9 ASN H H 9 8.900 9.213 -0.313 1
1 96 . 2 1 1 A 9 9 ASN HA H 9 4.400 4.406 -0.006 1
1 101 . 2 1 1 A 9 9 ASN C C 9 176.800 177.467 -0.667 1
1 102 . 2 1 1 A 9 9 ASN CA C 9 55.900 56.683 -0.783 1
1 103 . 2 1 1 A 9 9 ASN CB C 9 38.300 37.885 0.415 1
1 105 . 2 1 1 A 9 9 ASN N N 9 122.300 125.274 -2.974 1
1 107 . 2 1 1 A 10 10 GLU H H 10 8.740 7.810 0.930 1
1 108 . 2 1 1 A 10 10 GLU HA H 10 4.000 4.100 -0.100 1
1 113 . 2 1 1 A 10 10 GLU C C 10 178.500 179.066 -0.566 1
1 114 . 2 1 1 A 10 10 GLU CA C 10 59.900 59.074 0.826 1
1 115 . 2 1 1 A 10 10 GLU CB C 10 29.000 29.464 -0.464 1
1 117 . 2 1 1 A 10 10 GLU N N 10 119.000 120.657 -1.657 1
1 118 . 2 1 1 A 11 11 ARG H H 11 7.750 7.695 0.055 1
1 119 . 2 1 1 A 11 11 ARG HA H 11 4.070 4.168 -0.098 1
1 127 . 2 1 1 A 11 11 ARG C C 11 178.000 178.546 -0.546 1
1 128 . 2 1 1 A 11 11 ARG CA C 11 58.800 58.497 0.303 1
1 129 . 2 1 1 A 11 11 ARG CB C 11 30.100 29.953 0.147 1
1 132 . 2 1 1 A 11 11 ARG N N 11 121.500 120.875 0.625 1
1 134 . 2 1 1 A 12 12 VAL H H 12 7.830 8.124 -0.294 1
1 135 . 2 1 1 A 12 12 VAL HA H 12 3.420 3.554 -0.134 1
1 143 . 2 1 1 A 12 12 VAL C C 12 177.400 177.716 -0.316 1
1 144 . 2 1 1 A 12 12 VAL CA C 12 67.000 66.429 0.571 1
1 145 . 2 1 1 A 12 12 VAL CB C 12 32.100 31.376 0.724 1
1 148 . 2 1 1 A 12 12 VAL N N 12 118.800 120.153 -1.353 1
1 149 . 2 1 1 A 13 13 GLU H H 13 8.220 8.675 -0.455 1
1 150 . 2 1 1 A 13 13 GLU HA H 13 3.890 3.941 -0.051 1
1 155 . 2 1 1 A 13 13 GLU C C 13 178.900 178.882 0.018 1
1 156 . 2 1 1 A 13 13 GLU CA C 13 59.500 60.046 -0.546 1
1 157 . 2 1 1 A 13 13 GLU CB C 13 29.000 29.334 -0.334 1
1 159 . 2 1 1 A 13 13 GLU N N 13 116.800 120.177 -3.377 1
1 160 . 2 1 1 A 14 14 LYS H H 14 7.600 7.582 0.018 1
1 161 . 2 1 1 A 14 14 LYS HA H 14 4.030 4.070 -0.040 1
1 170 . 2 1 1 A 14 14 LYS C C 14 177.700 179.023 -1.323 1
1 171 . 2 1 1 A 14 14 LYS CA C 14 59.100 59.398 -0.298 1
1 172 . 2 1 1 A 14 14 LYS CB C 14 32.100 32.251 -0.151 1
1 176 . 2 1 1 A 14 14 LYS N N 14 120.400 119.679 0.721 1
1 177 . 2 1 1 A 15 15 ILE H H 15 7.830 8.121 -0.291 1
1 178 . 2 1 1 A 15 15 ILE HA H 15 3.630 3.634 -0.004 1
1 188 . 2 1 1 A 15 15 ILE C C 15 178.200 178.194 0.006 1
1 189 . 2 1 1 A 15 15 ILE CA C 15 65.700 65.658 0.042 1
1 190 . 2 1 1 A 15 15 ILE CB C 15 37.500 37.625 -0.125 1
1 194 . 2 1 1 A 15 15 ILE N N 15 119.700 119.162 0.538 1
1 195 . 2 1 1 A 16 16 ILE H H 16 8.080 8.598 -0.518 1
1 196 . 2 1 1 A 16 16 ILE HA H 16 3.360 3.500 -0.140 1
1 206 . 2 1 1 A 16 16 ILE C C 16 177.500 178.146 -0.646 1
1 207 . 2 1 1 A 16 16 ILE CA C 16 66.600 65.554 1.046 1
1 208 . 2 1 1 A 16 16 ILE CB C 16 38.300 37.889 0.411 1
1 212 . 2 1 1 A 16 16 ILE N N 16 117.900 120.777 -2.877 1
1 213 . 2 1 1 A 17 17 GLN H H 17 8.010 8.480 -0.470 1
1 214 . 2 1 1 A 17 17 GLN HA H 17 3.830 3.946 -0.116 1
1 221 . 2 1 1 A 17 17 GLN C C 17 178.000 177.284 0.716 1
1 222 . 2 1 1 A 17 17 GLN CA C 17 58.400 58.943 -0.543 1
1 223 . 2 1 1 A 17 17 GLN CB C 17 28.100 28.362 -0.262 1
1 225 . 2 1 1 A 17 17 GLN N N 17 117.900 120.068 -2.168 1
1 227 . 2 1 1 A 18 18 ASP H H 18 8.710 8.391 0.319 1
1 228 . 2 1 1 A 18 18 ASP HA H 18 4.400 4.407 -0.007 1
1 231 . 2 1 1 A 18 18 ASP C C 18 179.800 178.793 1.007 1
1 232 . 2 1 1 A 18 18 ASP CA C 18 57.400 56.990 0.410 1
1 233 . 2 1 1 A 18 18 ASP CB C 18 39.900 41.021 -1.121 1
1 234 . 2 1 1 A 18 18 ASP N N 18 121.000 120.210 0.790 1
1 235 . 2 1 1 A 19 19 LEU H H 19 8.260 8.488 -0.228 1
1 236 . 2 1 1 A 19 19 LEU HA H 19 4.010 4.033 -0.023 1
1 246 . 2 1 1 A 19 19 LEU C C 19 178.200 179.336 -1.136 1
1 247 . 2 1 1 A 19 19 LEU CA C 19 58.100 58.137 -0.037 1
1 248 . 2 1 1 A 19 19 LEU CB C 19 42.400 41.764 0.636 1
1 252 . 2 1 1 A 19 19 LEU N N 19 120.800 119.889 0.911 1
1 253 . 2 1 1 A 20 20 LEU H H 20 8.160 8.513 -0.353 1
1 254 . 2 1 1 A 20 20 LEU HA H 20 3.940 3.933 0.007 1
1 264 . 2 1 1 A 20 20 LEU C C 20 180.100 178.976 1.124 1
1 265 . 2 1 1 A 20 20 LEU CA C 20 57.900 57.938 -0.038 1
1 266 . 2 1 1 A 20 20 LEU CB C 20 40.800 40.563 0.237 1
1 270 . 2 1 1 A 20 20 LEU N N 20 117.300 118.470 -1.170 1
1 271 . 2 1 1 A 21 21 ASP H H 21 9.000 8.461 0.539 1
1 272 . 2 1 1 A 21 21 ASP HA H 21 4.420 4.328 0.092 1
1 275 . 2 1 1 A 21 21 ASP C C 21 179.000 178.829 0.171 1
1 276 . 2 1 1 A 21 21 ASP CA C 21 57.300 57.603 -0.303 1
1 277 . 2 1 1 A 21 21 ASP CB C 21 40.500 41.649 -1.149 1
1 278 . 2 1 1 A 21 21 ASP N N 21 120.000 120.185 -0.185 1
1 279 . 2 1 1 A 22 22 VAL H H 22 7.370 7.679 -0.309 1
1 280 . 2 1 1 A 22 22 VAL HA H 22 3.600 3.597 0.003 1
1 288 . 2 1 1 A 22 22 VAL C C 22 177.700 178.161 -0.461 1
1 289 . 2 1 1 A 22 22 VAL CA C 22 66.300 66.529 -0.229 1
1 290 . 2 1 1 A 22 22 VAL CB C 22 32.000 31.486 0.514 1
1 293 . 2 1 1 A 22 22 VAL N N 22 119.800 119.899 -0.099 1
1 294 . 2 1 1 A 23 23 LEU H H 23 6.880 7.890 -1.010 1
1 295 . 2 1 1 A 23 23 LEU HA H 23 3.880 4.094 -0.214 1
1 305 . 2 1 1 A 23 23 LEU C C 23 179.100 179.729 -0.629 1
1 306 . 2 1 1 A 23 23 LEU CA C 23 57.100 58.008 -0.908 1
1 307 . 2 1 1 A 23 23 LEU CB C 23 40.600 41.453 -0.853 1
1 311 . 2 1 1 A 23 23 LEU N N 23 116.500 119.054 -2.554 1
1 312 . 2 1 1 A 24 24 VAL H H 24 8.430 7.901 0.529 1
1 313 . 2 1 1 A 24 24 VAL HA H 24 3.780 3.701 0.079 1
1 321 . 2 1 1 A 24 24 VAL C C 24 180.800 177.629 3.171 1
1 322 . 2 1 1 A 24 24 VAL CA C 24 65.900 66.249 -0.349 1
1 323 . 2 1 1 A 24 24 VAL CB C 24 32.200 31.525 0.675 1
1 326 . 2 1 1 A 24 24 VAL N N 24 120.300 120.152 0.148 1
1 327 . 2 1 1 A 25 25 LYS H H 25 8.380 8.541 -0.161 1
1 328 . 2 1 1 A 25 25 LYS HA H 25 4.030 3.955 0.075 1
1 337 . 2 1 1 A 25 25 LYS C C 25 178.500 178.693 -0.193 1
1 338 . 2 1 1 A 25 25 LYS CA C 25 59.400 59.435 -0.035 1
1 339 . 2 1 1 A 25 25 LYS CB C 25 32.300 32.336 -0.036 1
1 343 . 2 1 1 A 25 25 LYS N N 25 121.900 120.009 1.891 1
1 344 . 2 1 1 A 26 26 GLU H H 26 7.360 7.802 -0.442 1
1 345 . 2 1 1 A 26 26 GLU HA H 26 4.330 4.378 -0.048 1
1 350 . 2 1 1 A 26 26 GLU C C 26 175.000 175.849 -0.849 1
1 351 . 2 1 1 A 26 26 GLU CA C 26 56.000 56.167 -0.167 1
1 352 . 2 1 1 A 26 26 GLU CB C 26 29.800 30.476 -0.676 1
1 354 . 2 1 1 A 26 26 GLU N N 26 115.000 115.706 -0.706 1
1 355 . 2 1 1 A 27 27 GLU H H 27 7.980 7.994 -0.014 1
1 356 . 2 1 1 A 27 27 GLU HA H 27 3.950 3.841 0.109 1
1 361 . 2 1 1 A 27 27 GLU C C 27 175.900 174.891 1.009 1
1 362 . 2 1 1 A 27 27 GLU CA C 27 56.900 57.279 -0.379 1
1 363 . 2 1 1 A 27 27 GLU CB C 27 27.100 27.861 -0.761 1
1 365 . 2 1 1 A 27 27 GLU N N 27 116.300 117.245 -0.945 1
1 366 . 2 1 1 A 28 28 VAL H H 28 7.370 7.757 -0.387 1
1 367 . 2 1 1 A 28 28 VAL HA H 28 4.200 4.413 -0.213 1
1 375 . 2 1 1 A 28 28 VAL C C 28 176.700 175.978 0.722 1
1 376 . 2 1 1 A 28 28 VAL CA C 28 61.600 60.931 0.669 1
1 377 . 2 1 1 A 28 28 VAL CB C 28 32.600 32.799 -0.199 1
1 380 . 2 1 1 A 28 28 VAL N N 28 112.200 115.597 -3.397 1
1 381 . 2 1 1 A 29 29 THR H H 29 7.400 8.966 -1.566 1
1 382 . 2 1 1 A 29 29 THR HA H 29 4.640 4.796 -0.156 1
1 387 . 2 1 1 A 29 29 THR CA C 29 59.900 60.208 -0.308 1
1 388 . 2 1 1 A 29 29 THR CB C 29 67.900 68.918 -1.018 1
1 390 . 2 1 1 A 29 29 THR N N 29 113.900 114.455 -0.555 1
1 391 . 2 1 1 A 30 30 PRO HA H 30 4.130 4.143 -0.013 1
1 398 . 2 1 1 A 30 30 PRO C C 30 177.600 177.576 0.024 1
1 399 . 2 1 1 A 30 30 PRO CA C 30 66.300 65.730 0.570 1
1 400 . 2 1 1 A 30 30 PRO CB C 30 31.500 31.801 -0.301 1
1 403 . 2 1 1 A 31 31 ASP H H 31 8.390 8.269 0.121 1
1 404 . 2 1 1 A 31 31 ASP HA H 31 4.240 4.408 -0.168 1
1 407 . 2 1 1 A 31 31 ASP C C 31 178.900 178.643 0.257 1
1 408 . 2 1 1 A 31 31 ASP CA C 31 57.000 57.050 -0.050 1
1 409 . 2 1 1 A 31 31 ASP CB C 31 40.000 41.512 -1.512 1
1 410 . 2 1 1 A 31 31 ASP N N 31 113.200 117.571 -4.371 1
1 411 . 2 1 1 A 32 32 LEU H H 32 7.460 7.675 -0.215 1
1 412 . 2 1 1 A 32 32 LEU HA H 32 4.190 4.069 0.121 1
1 422 . 2 1 1 A 32 32 LEU C C 32 178.900 178.466 0.434 1
1 423 . 2 1 1 A 32 32 LEU CA C 32 57.000 57.759 -0.759 1
1 424 . 2 1 1 A 32 32 LEU CB C 32 41.300 41.285 0.015 1
1 428 . 2 1 1 A 32 32 LEU N N 32 123.000 120.582 2.418 1
1 429 . 2 1 1 A 33 33 ALA H H 33 8.930 8.567 0.363 1
1 430 . 2 1 1 A 33 33 ALA HA H 33 3.730 4.120 -0.390 1
1 434 . 2 1 1 A 33 33 ALA C C 33 179.800 179.960 -0.160 1
1 435 . 2 1 1 A 33 33 ALA CA C 33 55.900 55.368 0.532 1
1 436 . 2 1 1 A 33 33 ALA CB C 33 19.100 18.423 0.677 1
1 437 . 2 1 1 A 33 33 ALA N N 33 122.700 120.970 1.730 1
1 438 . 2 1 1 A 34 34 LEU H H 34 8.420 8.248 0.172 1
1 439 . 2 1 1 A 34 34 LEU HA H 34 4.010 3.908 0.102 1
1 449 . 2 1 1 A 34 34 LEU C C 34 179.700 178.868 0.832 1
1 450 . 2 1 1 A 34 34 LEU CA C 34 58.200 58.010 0.190 1
1 451 . 2 1 1 A 34 34 LEU CB C 34 41.200 41.442 -0.242 1
1 455 . 2 1 1 A 34 34 LEU N N 34 115.800 117.875 -2.075 1
1 456 . 2 1 1 A 35 35 MET H H 35 7.730 8.450 -0.720 1
1 457 . 2 1 1 A 35 35 MET HA H 35 4.240 4.114 0.126 1
1 465 . 2 1 1 A 35 35 MET C C 35 179.500 178.084 1.416 1
1 466 . 2 1 1 A 35 35 MET CA C 35 59.300 58.692 0.608 1
1 467 . 2 1 1 A 35 35 MET CB C 35 32.900 32.056 0.844 1
1 470 . 2 1 1 A 35 35 MET N N 35 121.400 118.488 2.912 1
1 471 . 2 1 1 A 36 36 CYS H H 36 8.420 8.470 -0.050 1
1 472 . 2 1 1 A 36 36 CYS HA H 36 3.950 4.122 -0.172 1
1 475 . 2 1 1 A 36 36 CYS C C 36 177.000 177.126 -0.126 1
1 476 . 2 1 1 A 36 36 CYS CA C 36 64.200 63.619 0.581 1
1 477 . 2 1 1 A 36 36 CYS CB C 36 27.200 27.575 -0.375 1
1 478 . 2 1 1 A 36 36 CYS N N 36 118.600 117.748 0.852 1
1 479 . 2 1 1 A 37 37 LEU H H 37 9.020 8.699 0.321 1
1 480 . 2 1 1 A 37 37 LEU HA H 37 3.940 3.982 -0.042 1
1 490 . 2 1 1 A 37 37 LEU C C 37 179.100 179.306 -0.206 1
1 491 . 2 1 1 A 37 37 LEU CA C 37 58.300 58.685 -0.385 1
1 492 . 2 1 1 A 37 37 LEU CB C 37 42.200 42.028 0.172 1
1 496 . 2 1 1 A 37 37 LEU N N 37 119.600 120.891 -1.291 1
1 497 . 2 1 1 A 38 38 GLY H H 38 8.940 8.801 0.139 1
1 498 . 2 1 1 A 38 38 GLY HA2 H 38 3.610 3.776 -0.166 1
1 499 . 2 1 1 A 38 38 GLY HA3 H 38 3.970 3.783 0.187 1
1 500 . 2 1 1 A 38 38 GLY C C 38 179.800 176.118 3.682 1
1 501 . 2 1 1 A 38 38 GLY CA C 38 47.900 47.461 0.439 1
1 502 . 2 1 1 A 38 38 GLY N N 38 106.600 105.882 0.718 1
1 503 . 2 1 1 A 39 39 ASN H H 39 7.790 7.583 0.207 1
1 504 . 2 1 1 A 39 39 ASN HA H 39 4.440 4.450 -0.010 1
1 509 . 2 1 1 A 39 39 ASN C C 39 178.000 177.874 0.126 1
1 510 . 2 1 1 A 39 39 ASN CA C 39 56.300 56.198 0.102 1
1 511 . 2 1 1 A 39 39 ASN CB C 39 39.500 38.028 1.472 1
1 513 . 2 1 1 A 39 39 ASN N N 39 120.900 120.355 0.545 1
1 515 . 2 1 1 A 40 40 ALA H H 40 8.260 7.748 0.512 1
1 516 . 2 1 1 A 40 40 ALA HA H 40 3.970 4.081 -0.111 1
1 520 . 2 1 1 A 40 40 ALA C C 40 178.200 179.669 -1.469 1
1 521 . 2 1 1 A 40 40 ALA CA C 40 55.900 55.149 0.751 1
1 522 . 2 1 1 A 40 40 ALA CB C 40 17.200 18.345 -1.145 1
1 523 . 2 1 1 A 40 40 ALA N N 40 123.900 123.330 0.570 1
1 524 . 2 1 1 A 41 41 VAL H H 41 8.410 8.462 -0.052 1
1 525 . 2 1 1 A 41 41 VAL HA H 41 3.180 3.358 -0.178 1
1 533 . 2 1 1 A 41 41 VAL C C 41 177.800 178.635 -0.835 1
1 534 . 2 1 1 A 41 41 VAL CA C 41 67.000 67.293 -0.293 1
1 535 . 2 1 1 A 41 41 VAL CB C 41 30.900 31.481 -0.581 1
1 538 . 2 1 1 A 41 41 VAL N N 41 116.900 117.416 -0.516 1
1 539 . 2 1 1 A 42 42 THR H H 42 8.210 8.165 0.045 1
1 540 . 2 1 1 A 42 42 THR HA H 42 3.430 3.746 -0.316 1
1 545 . 2 1 1 A 42 42 THR C C 42 175.900 176.134 -0.234 1
1 546 . 2 1 1 A 42 42 THR CA C 42 67.500 66.908 0.592 1
1 547 . 2 1 1 A 42 42 THR CB C 42 68.000 68.269 -0.269 1
1 549 . 2 1 1 A 42 42 THR N N 42 114.800 115.812 -1.012 1
1 550 . 2 1 1 A 43 43 ASN H H 43 7.600 8.359 -0.759 1
1 551 . 2 1 1 A 43 43 ASN HA H 43 4.170 4.350 -0.180 1
1 556 . 2 1 1 A 43 43 ASN C C 43 177.300 177.919 -0.619 1
1 557 . 2 1 1 A 43 43 ASN CA C 43 57.000 56.737 0.263 1
1 558 . 2 1 1 A 43 43 ASN CB C 43 39.400 39.209 0.191 1
1 560 . 2 1 1 A 43 43 ASN N N 43 120.300 118.811 1.489 1
1 562 . 2 1 1 A 44 44 ILE H H 44 7.630 7.401 0.229 1
1 563 . 2 1 1 A 44 44 ILE HA H 44 3.770 3.670 0.100 1
1 573 . 2 1 1 A 44 44 ILE C C 44 179.200 178.230 0.970 1
1 574 . 2 1 1 A 44 44 ILE CA C 44 62.100 64.964 -2.864 1
1 575 . 2 1 1 A 44 44 ILE CB C 44 35.700 37.860 -2.160 1
1 579 . 2 1 1 A 44 44 ILE N N 44 119.700 119.103 0.597 1
1 580 . 2 1 1 A 45 45 ILE H H 45 8.460 8.114 0.346 1
1 581 . 2 1 1 A 45 45 ILE HA H 45 3.550 3.759 -0.209 1
1 591 . 2 1 1 A 45 45 ILE C C 45 177.100 177.171 -0.071 1
1 592 . 2 1 1 A 45 45 ILE CA C 45 65.100 64.614 0.486 1
1 593 . 2 1 1 A 45 45 ILE CB C 45 36.600 36.828 -0.228 1
1 597 . 2 1 1 A 45 45 ILE N N 45 120.300 120.201 0.099 1
1 598 . 2 1 1 A 46 46 ALA H H 46 7.750 7.937 -0.187 1
1 599 . 2 1 1 A 46 46 ALA HA H 46 3.950 4.134 -0.184 1
1 603 . 2 1 1 A 46 46 ALA C C 46 178.000 178.301 -0.301 1
1 604 . 2 1 1 A 46 46 ALA CA C 46 54.000 54.334 -0.334 1
1 605 . 2 1 1 A 46 46 ALA CB C 46 17.900 18.302 -0.402 1
1 606 . 2 1 1 A 46 46 ALA N N 46 120.000 123.482 -3.482 1
1 607 . 2 1 1 A 47 47 GLN H H 47 7.610 7.365 0.245 1
1 608 . 2 1 1 A 47 47 GLN HA H 47 4.190 4.365 -0.175 1
1 615 . 2 1 1 A 47 47 GLN C C 47 177.100 175.923 1.177 1
1 616 . 2 1 1 A 47 47 GLN CA C 47 56.000 57.293 -1.293 1
1 617 . 2 1 1 A 47 47 GLN CB C 47 29.000 29.581 -0.581 1
1 620 . 2 1 1 A 47 47 GLN N N 47 114.000 115.751 -1.751 1
1 622 . 2 1 1 A 48 48 VAL H H 48 7.740 6.917 0.823 1
1 623 . 2 1 1 A 48 48 VAL HA H 48 4.390 4.275 0.115 1
1 631 . 2 1 1 A 48 48 VAL CA C 48 59.900 60.912 -1.012 1
1 632 . 2 1 1 A 48 48 VAL CB C 48 31.900 31.788 0.112 1
1 635 . 2 1 1 A 48 48 VAL N N 48 122.400 116.597 5.803 1
1 636 . 2 1 1 A 49 49 PRO HA H 49 4.340 4.548 -0.208 1
1 643 . 2 1 1 A 49 49 PRO C C 49 177.700 177.583 0.117 1
1 644 . 2 1 1 A 49 49 PRO CA C 49 63.700 62.856 0.844 1
1 645 . 2 1 1 A 49 49 PRO CB C 49 32.300 32.540 -0.240 1
1 648 . 2 1 1 A 50 50 GLU H H 50 8.960 9.101 -0.141 1
1 649 . 2 1 1 A 50 50 GLU HA H 50 3.580 4.040 -0.460 1
1 654 . 2 1 1 A 50 50 GLU C C 50 178.300 177.967 0.333 1
1 655 . 2 1 1 A 50 50 GLU CA C 50 60.800 58.761 2.039 1
1 656 . 2 1 1 A 50 50 GLU CB C 50 29.900 29.522 0.378 1
1 658 . 2 1 1 A 50 50 GLU N N 50 124.400 124.681 -0.281 1
1 659 . 2 1 1 A 51 51 SER H H 51 8.640 8.050 0.590 1
1 660 . 2 1 1 A 51 51 SER HA H 51 4.240 4.261 -0.021 1
1 663 . 2 1 1 A 51 51 SER C C 51 175.200 175.569 -0.369 1
1 664 . 2 1 1 A 51 51 SER CA C 51 60.600 61.989 -1.389 1
1 665 . 2 1 1 A 51 51 SER CB C 51 62.600 63.030 -0.430 1
1 666 . 2 1 1 A 51 51 SER N N 51 112.000 115.835 -3.835 1
1 667 . 2 1 1 A 52 52 LYS H H 52 7.950 7.728 0.222 1
1 668 . 2 1 1 A 52 52 LYS HA H 52 4.650 4.449 0.201 1
1 677 . 2 1 1 A 52 52 LYS C C 52 176.700 178.013 -1.313 1
1 678 . 2 1 1 A 52 52 LYS CA C 52 55.500 56.591 -1.091 1
1 679 . 2 1 1 A 52 52 LYS CB C 52 34.000 33.385 0.615 1
1 683 . 2 1 1 A 52 52 LYS N N 52 119.600 117.685 1.915 1
1 684 . 2 1 1 A 53 53 ARG H H 53 7.290 7.663 -0.373 1
1 685 . 2 1 1 A 53 53 ARG HA H 53 3.530 4.091 -0.561 1
1 695 . 2 1 1 A 53 53 ARG C C 53 177.300 178.610 -1.310 1
1 696 . 2 1 1 A 53 53 ARG CA C 53 61.700 58.848 2.852 1
1 697 . 2 1 1 A 53 53 ARG CB C 53 30.800 29.763 1.037 1
1 700 . 2 1 1 A 53 53 ARG N N 53 119.000 121.040 -2.040 1
1 702 . 2 1 1 A 54 54 VAL H H 54 8.440 7.809 0.631 1
1 703 . 2 1 1 A 54 54 VAL HA H 54 3.460 3.708 -0.248 1
1 711 . 2 1 1 A 54 54 VAL C C 54 177.400 177.800 -0.400 1
1 712 . 2 1 1 A 54 54 VAL CA C 54 67.200 66.077 1.123 1
1 713 . 2 1 1 A 54 54 VAL CB C 54 31.000 31.140 -0.140 1
1 716 . 2 1 1 A 54 54 VAL N N 54 118.400 119.389 -0.989 1
1 717 . 2 1 1 A 55 55 ALA H H 55 8.120 8.065 0.055 1
1 718 . 2 1 1 A 55 55 ALA HA H 55 4.180 4.088 0.092 1
1 722 . 2 1 1 A 55 55 ALA C C 55 180.700 179.697 1.003 1
1 723 . 2 1 1 A 55 55 ALA CA C 55 55.000 55.181 -0.181 1
1 724 . 2 1 1 A 55 55 ALA CB C 55 17.900 18.239 -0.339 1
1 725 . 2 1 1 A 55 55 ALA N N 55 122.300 122.326 -0.026 1
1 726 . 2 1 1 A 56 56 VAL H H 56 8.040 8.203 -0.163 1
1 727 . 2 1 1 A 56 56 VAL HA H 56 3.780 3.735 0.045 1
1 735 . 2 1 1 A 56 56 VAL C C 56 179.400 178.112 1.288 1
1 736 . 2 1 1 A 56 56 VAL CA C 56 66.700 65.705 0.995 1
1 737 . 2 1 1 A 56 56 VAL CB C 56 31.400 31.648 -0.248 1
1 740 . 2 1 1 A 56 56 VAL N N 56 117.900 117.204 0.696 1
1 741 . 2 1 1 A 57 57 VAL H H 57 8.510 7.443 1.067 1
1 742 . 2 1 1 A 57 57 VAL HA H 57 3.760 3.828 -0.068 1
1 750 . 2 1 1 A 57 57 VAL C C 57 177.900 177.386 0.514 1
1 751 . 2 1 1 A 57 57 VAL CA C 57 66.700 65.295 1.405 1
1 752 . 2 1 1 A 57 57 VAL CB C 57 31.400 31.562 -0.162 1
1 755 . 2 1 1 A 57 57 VAL N N 57 121.600 122.614 -1.014 1
1 756 . 2 1 1 A 58 58 ASP H H 58 8.800 8.107 0.693 1
1 757 . 2 1 1 A 58 58 ASP HA H 58 4.420 4.440 -0.020 1
1 760 . 2 1 1 A 58 58 ASP C C 58 178.500 178.401 0.099 1
1 761 . 2 1 1 A 58 58 ASP CA C 58 57.800 57.866 -0.066 1
1 762 . 2 1 1 A 58 58 ASP CB C 58 40.000 41.079 -1.079 1
1 763 . 2 1 1 A 58 58 ASP N N 58 124.800 121.757 3.043 1
1 764 . 2 1 1 A 59 59 ASN H H 59 8.500 8.167 0.333 1
1 765 . 2 1 1 A 59 59 ASN HA H 59 4.460 4.471 -0.011 1
1 770 . 2 1 1 A 59 59 ASN C C 59 177.700 177.882 -0.182 1
1 771 . 2 1 1 A 59 59 ASN CA C 59 56.500 56.392 0.108 1
1 772 . 2 1 1 A 59 59 ASN CB C 59 38.300 38.180 0.120 1
1 774 . 2 1 1 A 59 59 ASN N N 59 118.800 117.430 1.370 1
1 776 . 2 1 1 A 60 60 PHE H H 60 8.540 8.346 0.194 1
1 777 . 2 1 1 A 60 60 PHE HA H 60 4.210 4.176 0.034 1
1 785 . 2 1 1 A 60 60 PHE C C 60 177.700 177.297 0.403 1
1 786 . 2 1 1 A 60 60 PHE CA C 60 61.600 61.583 0.017 1
1 787 . 2 1 1 A 60 60 PHE CB C 60 39.800 39.322 0.478 1
1 793 . 2 1 1 A 60 60 PHE N N 60 121.800 122.335 -0.535 1
1 794 . 2 1 1 A 61 61 THR H H 61 8.820 8.658 0.162 1
1 795 . 2 1 1 A 61 61 THR HA H 61 3.820 4.029 -0.209 1
1 801 . 2 1 1 A 61 61 THR C C 61 176.700 176.622 0.078 1
1 802 . 2 1 1 A 61 61 THR CA C 61 66.200 66.311 -0.111 1
1 803 . 2 1 1 A 61 61 THR CB C 61 68.400 68.610 -0.210 1
1 805 . 2 1 1 A 61 61 THR N N 61 112.200 110.961 1.239 1
1 806 . 2 1 1 A 62 62 LYS H H 62 8.190 8.461 -0.271 1
1 807 . 2 1 1 A 62 62 LYS HA H 62 4.010 3.912 0.098 1
1 816 . 2 1 1 A 62 62 LYS C C 62 179.100 178.477 0.623 1
1 817 . 2 1 1 A 62 62 LYS CA C 62 60.100 59.386 0.714 1
1 818 . 2 1 1 A 62 62 LYS CB C 62 32.500 32.314 0.186 1
1 822 . 2 1 1 A 62 62 LYS N N 62 124.000 122.112 1.888 1
1 823 . 2 1 1 A 63 63 ALA H H 63 7.800 7.969 -0.169 1
1 824 . 2 1 1 A 63 63 ALA HA H 63 4.070 4.058 0.012 1
1 828 . 2 1 1 A 63 63 ALA C C 63 180.400 180.182 0.218 1
1 829 . 2 1 1 A 63 63 ALA CA C 63 54.700 54.967 -0.267 1
1 830 . 2 1 1 A 63 63 ALA CB C 63 17.800 17.961 -0.161 1
1 831 . 2 1 1 A 63 63 ALA N N 63 121.500 121.080 0.420 1
1 832 . 2 1 1 A 64 64 LEU H H 64 7.850 8.034 -0.184 1
1 833 . 2 1 1 A 64 64 LEU HA H 64 3.900 3.762 0.138 1
1 843 . 2 1 1 A 64 64 LEU C C 64 178.600 179.257 -0.657 1
1 844 . 2 1 1 A 64 64 LEU CA C 64 57.300 58.095 -0.795 1
1 845 . 2 1 1 A 64 64 LEU CB C 64 41.900 41.872 0.028 1
1 849 . 2 1 1 A 64 64 LEU N N 64 120.100 118.690 1.410 1
1 850 . 2 1 1 A 65 65 LYS H H 65 7.970 8.028 -0.058 1
1 851 . 2 1 1 A 65 65 LYS HA H 65 3.730 3.800 -0.070 1
1 860 . 2 1 1 A 65 65 LYS C C 65 178.300 179.513 -1.213 1
1 861 . 2 1 1 A 65 65 LYS CA C 65 60.400 60.414 -0.014 1
1 862 . 2 1 1 A 65 65 LYS CB C 65 31.900 32.253 -0.353 1
1 866 . 2 1 1 A 65 65 LYS N N 65 118.100 116.909 1.191 1
1 867 . 2 1 1 A 66 66 GLN H H 66 7.820 8.264 -0.444 1
1 868 . 2 1 1 A 66 66 GLN HA H 66 3.950 4.161 -0.211 1
1 875 . 2 1 1 A 66 66 GLN C C 66 178.000 177.331 0.669 1
1 876 . 2 1 1 A 66 66 GLN CA C 66 58.700 57.714 0.986 1
1 877 . 2 1 1 A 66 66 GLN CB C 66 28.200 27.564 0.636 1
1 880 . 2 1 1 A 66 66 GLN N N 66 116.800 118.204 -1.404 1
1 882 . 2 1 1 A 67 67 SER H H 67 8.060 7.793 0.267 1
1 883 . 2 1 1 A 67 67 SER HA H 67 4.150 4.426 -0.276 1
1 886 . 2 1 1 A 67 67 SER C C 67 176.900 175.584 1.316 1
1 887 . 2 1 1 A 67 67 SER CA C 67 61.500 60.865 0.635 1
1 888 . 2 1 1 A 67 67 SER CB C 67 63.000 63.478 -0.478 1
1 889 . 2 1 1 A 67 67 SER N N 67 114.200 116.841 -2.641 1
1 890 . 2 1 1 A 68 68 VAL H H 68 7.860 7.705 0.155 1
1 891 . 2 1 1 A 68 68 VAL HA H 68 3.850 3.883 -0.033 1
1 899 . 2 1 1 A 68 68 VAL C C 68 177.600 178.099 -0.499 1
1 900 . 2 1 1 A 68 68 VAL CA C 68 64.900 65.216 -0.316 1
1 901 . 2 1 1 A 68 68 VAL CB C 68 32.000 31.992 0.008 1
1 904 . 2 1 1 A 68 68 VAL N N 68 119.300 120.968 -1.668 1
1 905 . 2 1 1 A 69 69 LEU H H 69 7.880 8.295 -0.415 1
1 906 . 2 1 1 A 69 69 LEU HA H 69 4.150 3.980 0.170 1
1 916 . 2 1 1 A 69 69 LEU C C 69 178.400 177.351 1.049 1
1 917 . 2 1 1 A 69 69 LEU CA C 69 56.500 58.070 -1.570 1
1 918 . 2 1 1 A 69 69 LEU CB C 69 41.800 41.274 0.526 1
1 922 . 2 1 1 A 69 69 LEU N N 69 119.800 119.547 0.253 1
1 923 . 2 1 1 A 70 70 GLU H H 70 7.820 7.989 -0.169 1
1 924 . 2 1 1 A 70 70 GLU HA H 70 4.130 4.537 -0.407 1
1 929 . 2 1 1 A 70 70 GLU C C 70 176.700 176.053 0.647 1
1 930 . 2 1 1 A 70 70 GLU CA C 70 56.900 55.194 1.706 1
1 931 . 2 1 1 A 70 70 GLU CB C 70 29.800 28.361 1.439 1
1 933 . 2 1 1 A 70 70 GLU N N 70 118.000 117.252 0.748 1
1 934 . 2 1 1 A 71 71 HIS H H 71 7.950 8.772 -0.822 1
1 935 . 2 1 1 A 71 71 HIS HA H 71 4.460 4.673 -0.213 1
1 938 . 2 1 1 A 71 71 HIS C C 71 174.700 175.285 -0.585 1
1 939 . 2 1 1 A 71 71 HIS CA C 71 56.300 57.086 -0.786 1
1 940 . 2 1 1 A 71 71 HIS CB C 71 28.800 31.134 -2.334 1
1 941 . 2 1 1 A 71 71 HIS N N 71 117.800 123.022 -5.222 1
1 942 . 2 1 1 A 72 72 HIS H H 72 8.260 8.342 -0.082 1
1 943 . 2 1 1 A 72 72 HIS HA H 72 4.590 4.338 0.252 1
1 946 . 2 1 1 A 72 72 HIS C C 72 174.500 174.253 0.247 1
1 947 . 2 1 1 A 72 72 HIS CA C 72 55.700 58.323 -2.623 1
1 948 . 2 1 1 A 72 72 HIS CB C 72 29.600 29.532 0.068 1
1 949 . 2 1 1 A 72 72 HIS N N 72 119.100 117.908 1.192 1
1 950 . 2 1 1 A 73 73 HIS H H 73 8.420 8.064 0.356 1
1 951 . 2 1 1 A 73 73 HIS HA H 73 4.580 4.634 -0.054 1
1 954 . 2 1 1 A 73 73 HIS C C 73 174.400 173.273 1.127 1
1 955 . 2 1 1 A 73 73 HIS CA C 73 55.500 57.004 -1.504 1
1 956 . 2 1 1 A 73 73 HIS CB C 73 29.600 31.197 -1.597 1
1 957 . 2 1 1 A 73 73 HIS N N 73 119.700 117.514 2.186 1
1 958 . 2 1 1 A 74 74 HIS H H 74 8.470 7.907 0.563 1
1 959 . 2 1 1 A 74 74 HIS HA H 74 4.570 4.798 -0.228 1
1 962 . 2 1 1 A 74 74 HIS C C 74 173.600 174.528 -0.928 1
1 963 . 2 1 1 A 74 74 HIS CA C 74 55.600 54.852 0.748 1
1 964 . 2 1 1 A 74 74 HIS CB C 74 29.500 33.744 -4.244 1
1 965 . 2 1 1 A 74 74 HIS N N 74 120.500 114.262 6.238 1
1 966 . 2 1 1 A 75 75 HIS H H 75 8.290 8.415 -0.125 1
1 967 . 2 1 1 A 75 75 HIS HA H 75 4.400 4.633 -0.233 1
1 970 . 2 1 1 A 75 75 HIS CA C 75 57.100 57.364 -0.264 1
1 971 . 2 1 1 A 75 75 HIS CB C 75 29.700 31.930 -2.230 1
1 1 . 3 1 1 A 2 2 PRO HA H 2 4.400 4.529 -0.129 1
1 8 . 3 1 1 A 2 2 PRO C C 2 172.300 176.691 -4.391 1
1 9 . 3 1 1 A 2 2 PRO CA C 2 62.200 63.082 -0.882 1
1 10 . 3 1 1 A 2 2 PRO CB C 2 32.600 32.416 0.184 1
1 13 . 3 1 1 A 3 3 ILE H H 3 8.630 8.180 0.450 1
1 14 . 3 1 1 A 3 3 ILE HA H 3 4.190 4.192 -0.002 1
1 24 . 3 1 1 A 3 3 ILE C C 3 176.100 175.165 0.935 1
1 25 . 3 1 1 A 3 3 ILE CA C 3 61.500 61.193 0.307 1
1 26 . 3 1 1 A 3 3 ILE CB C 3 38.600 37.364 1.236 1
1 30 . 3 1 1 A 3 3 ILE N N 3 120.700 119.694 1.006 1
1 31 . 3 1 1 A 4 4 VAL H H 4 8.380 8.144 0.236 1
1 32 . 3 1 1 A 4 4 VAL HA H 4 4.140 4.225 -0.085 1
1 40 . 3 1 1 A 4 4 VAL C C 4 175.800 176.181 -0.381 1
1 41 . 3 1 1 A 4 4 VAL CA C 4 62.100 63.189 -1.089 1
1 42 . 3 1 1 A 4 4 VAL CB C 4 32.800 32.812 -0.012 1
1 45 . 3 1 1 A 4 4 VAL N N 4 125.500 122.021 3.479 1
1 46 . 3 1 1 A 5 5 SER H H 5 8.450 8.023 0.427 1
1 47 . 3 1 1 A 5 5 SER HA H 5 4.420 4.173 0.247 1
1 50 . 3 1 1 A 5 5 SER C C 5 174.300 173.384 0.916 1
1 51 . 3 1 1 A 5 5 SER CA C 5 57.900 58.724 -0.824 1
1 52 . 3 1 1 A 5 5 SER CB C 5 64.000 61.252 2.748 1
1 53 . 3 1 1 A 5 5 SER N N 5 120.500 115.896 4.604 1
1 54 . 3 1 1 A 6 6 LYS H H 6 8.330 8.043 0.287 1
1 55 . 3 1 1 A 6 6 LYS HA H 6 4.150 4.099 0.051 1
1 64 . 3 1 1 A 6 6 LYS C C 6 176.000 175.325 0.675 1
1 65 . 3 1 1 A 6 6 LYS CA C 6 56.800 55.135 1.665 1
1 66 . 3 1 1 A 6 6 LYS CB C 6 33.000 31.873 1.127 1
1 70 . 3 1 1 A 6 6 LYS N N 6 123.400 120.348 3.052 1
1 71 . 3 1 1 A 7 7 TYR H H 7 8.150 7.845 0.305 1
1 72 . 3 1 1 A 7 7 TYR HA H 7 4.640 4.917 -0.277 1
1 79 . 3 1 1 A 7 7 TYR C C 7 175.400 175.443 -0.043 1
1 80 . 3 1 1 A 7 7 TYR CA C 7 56.700 57.027 -0.327 1
1 81 . 3 1 1 A 7 7 TYR CB C 7 39.300 40.171 -0.871 1
1 86 . 3 1 1 A 7 7 TYR N N 7 120.000 125.354 -5.354 1
1 87 . 3 1 1 A 8 8 SER H H 8 8.360 9.099 -0.739 1
1 88 . 3 1 1 A 8 8 SER HA H 8 4.400 4.750 -0.350 1
1 91 . 3 1 1 A 8 8 SER C C 8 174.700 175.584 -0.884 1
1 92 . 3 1 1 A 8 8 SER CA C 8 57.600 57.561 0.039 1
1 93 . 3 1 1 A 8 8 SER CB C 8 64.000 65.211 -1.211 1
1 94 . 3 1 1 A 8 8 SER N N 8 118.100 118.277 -0.177 1
1 95 . 3 1 1 A 9 9 ASN H H 9 8.900 9.072 -0.172 1
1 96 . 3 1 1 A 9 9 ASN HA H 9 4.400 4.494 -0.094 1
1 101 . 3 1 1 A 9 9 ASN C C 9 176.800 177.551 -0.751 1
1 102 . 3 1 1 A 9 9 ASN CA C 9 55.900 56.576 -0.676 1
1 103 . 3 1 1 A 9 9 ASN CB C 9 38.300 37.971 0.329 1
1 105 . 3 1 1 A 9 9 ASN N N 9 122.300 123.125 -0.825 1
1 107 . 3 1 1 A 10 10 GLU H H 10 8.740 8.340 0.400 1
1 108 . 3 1 1 A 10 10 GLU HA H 10 4.000 4.061 -0.061 1
1 113 . 3 1 1 A 10 10 GLU C C 10 178.500 179.176 -0.676 1
1 114 . 3 1 1 A 10 10 GLU CA C 10 59.900 59.209 0.691 1
1 115 . 3 1 1 A 10 10 GLU CB C 10 29.000 29.242 -0.242 1
1 117 . 3 1 1 A 10 10 GLU N N 10 119.000 120.657 -1.657 1
1 118 . 3 1 1 A 11 11 ARG H H 11 7.750 7.787 -0.037 1
1 119 . 3 1 1 A 11 11 ARG HA H 11 4.070 4.233 -0.163 1
1 127 . 3 1 1 A 11 11 ARG C C 11 178.000 178.690 -0.690 1
1 128 . 3 1 1 A 11 11 ARG CA C 11 58.800 58.576 0.224 1
1 129 . 3 1 1 A 11 11 ARG CB C 11 30.100 29.906 0.194 1
1 132 . 3 1 1 A 11 11 ARG N N 11 121.500 121.335 0.165 1
1 134 . 3 1 1 A 12 12 VAL H H 12 7.830 7.822 0.008 1
1 135 . 3 1 1 A 12 12 VAL HA H 12 3.420 3.450 -0.030 1
1 143 . 3 1 1 A 12 12 VAL C C 12 177.400 178.194 -0.794 1
1 144 . 3 1 1 A 12 12 VAL CA C 12 67.000 66.945 0.055 1
1 145 . 3 1 1 A 12 12 VAL CB C 12 32.100 31.525 0.575 1
1 148 . 3 1 1 A 12 12 VAL N N 12 118.800 120.176 -1.376 1
1 149 . 3 1 1 A 13 13 GLU H H 13 8.220 7.946 0.274 1
1 150 . 3 1 1 A 13 13 GLU HA H 13 3.890 4.017 -0.127 1
1 155 . 3 1 1 A 13 13 GLU C C 13 178.900 178.248 0.652 1
1 156 . 3 1 1 A 13 13 GLU CA C 13 59.500 58.869 0.631 1
1 157 . 3 1 1 A 13 13 GLU CB C 13 29.000 29.327 -0.327 1
1 159 . 3 1 1 A 13 13 GLU N N 13 116.800 119.914 -3.114 1
1 160 . 3 1 1 A 14 14 LYS H H 14 7.600 7.827 -0.227 1
1 161 . 3 1 1 A 14 14 LYS HA H 14 4.030 4.086 -0.056 1
1 170 . 3 1 1 A 14 14 LYS C C 14 177.700 178.980 -1.280 1
1 171 . 3 1 1 A 14 14 LYS CA C 14 59.100 59.337 -0.237 1
1 172 . 3 1 1 A 14 14 LYS CB C 14 32.100 32.218 -0.118 1
1 176 . 3 1 1 A 14 14 LYS N N 14 120.400 119.244 1.156 1
1 177 . 3 1 1 A 15 15 ILE H H 15 7.830 7.959 -0.129 1
1 178 . 3 1 1 A 15 15 ILE HA H 15 3.630 3.643 -0.013 1
1 188 . 3 1 1 A 15 15 ILE C C 15 178.200 178.291 -0.091 1
1 189 . 3 1 1 A 15 15 ILE CA C 15 65.700 65.185 0.515 1
1 190 . 3 1 1 A 15 15 ILE CB C 15 37.500 37.319 0.181 1
1 194 . 3 1 1 A 15 15 ILE N N 15 119.700 119.203 0.497 1
1 195 . 3 1 1 A 16 16 ILE H H 16 8.080 8.046 0.034 1
1 196 . 3 1 1 A 16 16 ILE HA H 16 3.360 3.489 -0.129 1
1 206 . 3 1 1 A 16 16 ILE C C 16 177.500 178.176 -0.676 1
1 207 . 3 1 1 A 16 16 ILE CA C 16 66.600 65.575 1.025 1
1 208 . 3 1 1 A 16 16 ILE CB C 16 38.300 37.907 0.393 1
1 212 . 3 1 1 A 16 16 ILE N N 16 117.900 121.613 -3.713 1
1 213 . 3 1 1 A 17 17 GLN H H 17 8.010 8.375 -0.365 1
1 214 . 3 1 1 A 17 17 GLN HA H 17 3.830 3.946 -0.116 1
1 221 . 3 1 1 A 17 17 GLN C C 17 178.000 178.336 -0.336 1
1 222 . 3 1 1 A 17 17 GLN CA C 17 58.400 59.358 -0.958 1
1 223 . 3 1 1 A 17 17 GLN CB C 17 28.100 28.145 -0.045 1
1 225 . 3 1 1 A 17 17 GLN N N 17 117.900 120.157 -2.257 1
1 227 . 3 1 1 A 18 18 ASP H H 18 8.710 8.627 0.083 1
1 228 . 3 1 1 A 18 18 ASP HA H 18 4.400 4.352 0.048 1
1 231 . 3 1 1 A 18 18 ASP C C 18 179.800 178.970 0.830 1
1 232 . 3 1 1 A 18 18 ASP CA C 18 57.400 57.484 -0.084 1
1 233 . 3 1 1 A 18 18 ASP CB C 18 39.900 40.747 -0.847 1
1 234 . 3 1 1 A 18 18 ASP N N 18 121.000 119.696 1.304 1
1 235 . 3 1 1 A 19 19 LEU H H 19 8.260 8.222 0.038 1
1 236 . 3 1 1 A 19 19 LEU HA H 19 4.010 4.055 -0.045 1
1 246 . 3 1 1 A 19 19 LEU C C 19 178.200 179.335 -1.135 1
1 247 . 3 1 1 A 19 19 LEU CA C 19 58.100 58.001 0.099 1
1 248 . 3 1 1 A 19 19 LEU CB C 19 42.400 41.780 0.620 1
1 252 . 3 1 1 A 19 19 LEU N N 19 120.800 120.926 -0.126 1
1 253 . 3 1 1 A 20 20 LEU H H 20 8.160 8.296 -0.136 1
1 254 . 3 1 1 A 20 20 LEU HA H 20 3.940 3.936 0.004 1
1 264 . 3 1 1 A 20 20 LEU C C 20 180.100 179.243 0.857 1
1 265 . 3 1 1 A 20 20 LEU CA C 20 57.900 58.041 -0.141 1
1 266 . 3 1 1 A 20 20 LEU CB C 20 40.800 41.232 -0.432 1
1 270 . 3 1 1 A 20 20 LEU N N 20 117.300 119.209 -1.909 1
1 271 . 3 1 1 A 21 21 ASP H H 21 9.000 8.406 0.594 1
1 272 . 3 1 1 A 21 21 ASP HA H 21 4.420 4.433 -0.013 1
1 275 . 3 1 1 A 21 21 ASP C C 21 179.000 179.025 -0.025 1
1 276 . 3 1 1 A 21 21 ASP CA C 21 57.300 57.588 -0.288 1
1 277 . 3 1 1 A 21 21 ASP CB C 21 40.500 40.516 -0.016 1
1 278 . 3 1 1 A 21 21 ASP N N 21 120.000 119.887 0.113 1
1 279 . 3 1 1 A 22 22 VAL H H 22 7.370 7.773 -0.403 1
1 280 . 3 1 1 A 22 22 VAL HA H 22 3.600 3.564 0.036 1
1 288 . 3 1 1 A 22 22 VAL C C 22 177.700 178.094 -0.394 1
1 289 . 3 1 1 A 22 22 VAL CA C 22 66.300 66.696 -0.396 1
1 290 . 3 1 1 A 22 22 VAL CB C 22 32.000 31.384 0.616 1
1 293 . 3 1 1 A 22 22 VAL N N 22 119.800 120.421 -0.621 1
1 294 . 3 1 1 A 23 23 LEU H H 23 6.880 7.992 -1.112 1
1 295 . 3 1 1 A 23 23 LEU HA H 23 3.880 4.005 -0.125 1
1 305 . 3 1 1 A 23 23 LEU C C 23 179.100 179.703 -0.603 1
1 306 . 3 1 1 A 23 23 LEU CA C 23 57.100 58.082 -0.982 1
1 307 . 3 1 1 A 23 23 LEU CB C 23 40.600 41.878 -1.278 1
1 311 . 3 1 1 A 23 23 LEU N N 23 116.500 118.756 -2.256 1
1 312 . 3 1 1 A 24 24 VAL H H 24 8.430 7.833 0.597 1
1 313 . 3 1 1 A 24 24 VAL HA H 24 3.780 3.683 0.097 1
1 321 . 3 1 1 A 24 24 VAL C C 24 180.800 177.820 2.980 1
1 322 . 3 1 1 A 24 24 VAL CA C 24 65.900 66.447 -0.547 1
1 323 . 3 1 1 A 24 24 VAL CB C 24 32.200 31.514 0.686 1
1 326 . 3 1 1 A 24 24 VAL N N 24 120.300 120.046 0.254 1
1 327 . 3 1 1 A 25 25 LYS H H 25 8.380 8.468 -0.088 1
1 328 . 3 1 1 A 25 25 LYS HA H 25 4.030 3.983 0.047 1
1 337 . 3 1 1 A 25 25 LYS C C 25 178.500 178.650 -0.150 1
1 338 . 3 1 1 A 25 25 LYS CA C 25 59.400 59.356 0.044 1
1 339 . 3 1 1 A 25 25 LYS CB C 25 32.300 32.485 -0.185 1
1 343 . 3 1 1 A 25 25 LYS N N 25 121.900 119.866 2.034 1
1 344 . 3 1 1 A 26 26 GLU H H 26 7.360 7.899 -0.539 1
1 345 . 3 1 1 A 26 26 GLU HA H 26 4.330 4.352 -0.022 1
1 350 . 3 1 1 A 26 26 GLU C C 26 175.000 175.829 -0.829 1
1 351 . 3 1 1 A 26 26 GLU CA C 26 56.000 56.386 -0.386 1
1 352 . 3 1 1 A 26 26 GLU CB C 26 29.800 30.344 -0.544 1
1 354 . 3 1 1 A 26 26 GLU N N 26 115.000 115.750 -0.750 1
1 355 . 3 1 1 A 27 27 GLU H H 27 7.980 7.647 0.333 1
1 356 . 3 1 1 A 27 27 GLU HA H 27 3.950 3.840 0.110 1
1 361 . 3 1 1 A 27 27 GLU C C 27 175.900 174.832 1.068 1
1 362 . 3 1 1 A 27 27 GLU CA C 27 56.900 57.299 -0.399 1
1 363 . 3 1 1 A 27 27 GLU CB C 27 27.100 27.568 -0.468 1
1 365 . 3 1 1 A 27 27 GLU N N 27 116.300 117.163 -0.863 1
1 366 . 3 1 1 A 28 28 VAL H H 28 7.370 7.678 -0.308 1
1 367 . 3 1 1 A 28 28 VAL HA H 28 4.200 4.437 -0.237 1
1 375 . 3 1 1 A 28 28 VAL C C 28 176.700 175.778 0.922 1
1 376 . 3 1 1 A 28 28 VAL CA C 28 61.600 60.216 1.384 1
1 377 . 3 1 1 A 28 28 VAL CB C 28 32.600 33.174 -0.574 1
1 380 . 3 1 1 A 28 28 VAL N N 28 112.200 114.938 -2.738 1
1 381 . 3 1 1 A 29 29 THR H H 29 7.400 8.865 -1.465 1
1 382 . 3 1 1 A 29 29 THR HA H 29 4.640 4.949 -0.309 1
1 387 . 3 1 1 A 29 29 THR CA C 29 59.900 59.912 -0.012 1
1 388 . 3 1 1 A 29 29 THR CB C 29 67.900 69.157 -1.257 1
1 390 . 3 1 1 A 29 29 THR N N 29 113.900 113.893 0.007 1
1 391 . 3 1 1 A 30 30 PRO HA H 30 4.130 4.231 -0.101 1
1 398 . 3 1 1 A 30 30 PRO C C 30 177.600 178.535 -0.935 1
1 399 . 3 1 1 A 30 30 PRO CA C 30 66.300 65.761 0.539 1
1 400 . 3 1 1 A 30 30 PRO CB C 30 31.500 31.701 -0.201 1
1 403 . 3 1 1 A 31 31 ASP H H 31 8.390 8.353 0.037 1
1 404 . 3 1 1 A 31 31 ASP HA H 31 4.240 4.328 -0.088 1
1 407 . 3 1 1 A 31 31 ASP C C 31 178.900 178.934 -0.034 1
1 408 . 3 1 1 A 31 31 ASP CA C 31 57.000 57.223 -0.223 1
1 409 . 3 1 1 A 31 31 ASP CB C 31 40.000 40.366 -0.366 1
1 410 . 3 1 1 A 31 31 ASP N N 31 113.200 117.272 -4.072 1
1 411 . 3 1 1 A 32 32 LEU H H 32 7.460 7.901 -0.441 1
1 412 . 3 1 1 A 32 32 LEU HA H 32 4.190 4.081 0.109 1
1 422 . 3 1 1 A 32 32 LEU C C 32 178.900 178.372 0.528 1
1 423 . 3 1 1 A 32 32 LEU CA C 32 57.000 57.849 -0.849 1
1 424 . 3 1 1 A 32 32 LEU CB C 32 41.300 41.552 -0.252 1
1 428 . 3 1 1 A 32 32 LEU N N 32 123.000 120.956 2.044 1
1 429 . 3 1 1 A 33 33 ALA H H 33 8.930 8.690 0.240 1
1 430 . 3 1 1 A 33 33 ALA HA H 33 3.730 4.176 -0.446 1
1 434 . 3 1 1 A 33 33 ALA C C 33 179.800 179.961 -0.161 1
1 435 . 3 1 1 A 33 33 ALA CA C 33 55.900 55.272 0.628 1
1 436 . 3 1 1 A 33 33 ALA CB C 33 19.100 17.927 1.173 1
1 437 . 3 1 1 A 33 33 ALA N N 33 122.700 120.773 1.927 1
1 438 . 3 1 1 A 34 34 LEU H H 34 8.420 8.212 0.208 1
1 439 . 3 1 1 A 34 34 LEU HA H 34 4.010 3.880 0.130 1
1 449 . 3 1 1 A 34 34 LEU C C 34 179.700 178.480 1.220 1
1 450 . 3 1 1 A 34 34 LEU CA C 34 58.200 58.129 0.071 1
1 451 . 3 1 1 A 34 34 LEU CB C 34 41.200 41.516 -0.316 1
1 455 . 3 1 1 A 34 34 LEU N N 34 115.800 118.419 -2.619 1
1 456 . 3 1 1 A 35 35 MET H H 35 7.730 8.300 -0.570 1
1 457 . 3 1 1 A 35 35 MET HA H 35 4.240 4.112 0.128 1
1 465 . 3 1 1 A 35 35 MET C C 35 179.500 178.136 1.364 1
1 466 . 3 1 1 A 35 35 MET CA C 35 59.300 58.686 0.614 1
1 467 . 3 1 1 A 35 35 MET CB C 35 32.900 32.012 0.888 1
1 470 . 3 1 1 A 35 35 MET N N 35 121.400 118.305 3.095 1
1 471 . 3 1 1 A 36 36 CYS H H 36 8.420 8.336 0.084 1
1 472 . 3 1 1 A 36 36 CYS HA H 36 3.950 4.150 -0.200 1
1 475 . 3 1 1 A 36 36 CYS C C 36 177.000 177.052 -0.052 1
1 476 . 3 1 1 A 36 36 CYS CA C 36 64.200 63.435 0.765 1
1 477 . 3 1 1 A 36 36 CYS CB C 36 27.200 27.781 -0.581 1
1 478 . 3 1 1 A 36 36 CYS N N 36 118.600 117.743 0.857 1
1 479 . 3 1 1 A 37 37 LEU H H 37 9.020 8.692 0.328 1
1 480 . 3 1 1 A 37 37 LEU HA H 37 3.940 3.983 -0.043 1
1 490 . 3 1 1 A 37 37 LEU C C 37 179.100 179.208 -0.108 1
1 491 . 3 1 1 A 37 37 LEU CA C 37 58.300 58.638 -0.338 1
1 492 . 3 1 1 A 37 37 LEU CB C 37 42.200 42.066 0.134 1
1 496 . 3 1 1 A 37 37 LEU N N 37 119.600 120.614 -1.014 1
1 497 . 3 1 1 A 38 38 GLY H H 38 8.940 8.856 0.084 1
1 498 . 3 1 1 A 38 38 GLY HA2 H 38 3.610 3.753 -0.143 1
1 499 . 3 1 1 A 38 38 GLY HA3 H 38 3.970 3.772 0.198 1
1 500 . 3 1 1 A 38 38 GLY C C 38 179.800 175.662 4.138 1
1 501 . 3 1 1 A 38 38 GLY CA C 38 47.900 47.770 0.130 1
1 502 . 3 1 1 A 38 38 GLY N N 38 106.600 105.802 0.798 1
1 503 . 3 1 1 A 39 39 ASN H H 39 7.790 7.618 0.172 1
1 504 . 3 1 1 A 39 39 ASN HA H 39 4.440 4.461 -0.021 1
1 509 . 3 1 1 A 39 39 ASN C C 39 178.000 178.000 0.000 1
1 510 . 3 1 1 A 39 39 ASN CA C 39 56.300 56.135 0.165 1
1 511 . 3 1 1 A 39 39 ASN CB C 39 39.500 37.904 1.596 1
1 513 . 3 1 1 A 39 39 ASN N N 39 120.900 120.054 0.846 1
1 515 . 3 1 1 A 40 40 ALA H H 40 8.260 7.948 0.312 1
1 516 . 3 1 1 A 40 40 ALA HA H 40 3.970 4.090 -0.120 1
1 520 . 3 1 1 A 40 40 ALA C C 40 178.200 179.720 -1.520 1
1 521 . 3 1 1 A 40 40 ALA CA C 40 55.900 55.164 0.736 1
1 522 . 3 1 1 A 40 40 ALA CB C 40 17.200 18.380 -1.180 1
1 523 . 3 1 1 A 40 40 ALA N N 40 123.900 123.386 0.514 1
1 524 . 3 1 1 A 41 41 VAL H H 41 8.410 8.353 0.057 1
1 525 . 3 1 1 A 41 41 VAL HA H 41 3.180 3.368 -0.188 1
1 533 . 3 1 1 A 41 41 VAL C C 41 177.800 178.240 -0.440 1
1 534 . 3 1 1 A 41 41 VAL CA C 41 67.000 67.471 -0.471 1
1 535 . 3 1 1 A 41 41 VAL CB C 41 30.900 31.629 -0.729 1
1 538 . 3 1 1 A 41 41 VAL N N 41 116.900 117.879 -0.979 1
1 539 . 3 1 1 A 42 42 THR H H 42 8.210 8.283 -0.073 1
1 540 . 3 1 1 A 42 42 THR HA H 42 3.430 3.901 -0.471 1
1 545 . 3 1 1 A 42 42 THR C C 42 175.900 176.425 -0.525 1
1 546 . 3 1 1 A 42 42 THR CA C 42 67.500 66.382 1.118 1
1 547 . 3 1 1 A 42 42 THR CB C 42 68.000 68.084 -0.084 1
1 549 . 3 1 1 A 42 42 THR N N 42 114.800 115.986 -1.186 1
1 550 . 3 1 1 A 43 43 ASN H H 43 7.600 8.091 -0.491 1
1 551 . 3 1 1 A 43 43 ASN HA H 43 4.170 4.473 -0.303 1
1 556 . 3 1 1 A 43 43 ASN C C 43 177.300 177.797 -0.497 1
1 557 . 3 1 1 A 43 43 ASN CA C 43 57.000 56.600 0.400 1
1 558 . 3 1 1 A 43 43 ASN CB C 43 39.400 38.821 0.579 1
1 560 . 3 1 1 A 43 43 ASN N N 43 120.300 118.854 1.446 1
1 562 . 3 1 1 A 44 44 ILE H H 44 7.630 7.598 0.032 1
1 563 . 3 1 1 A 44 44 ILE HA H 44 3.770 3.660 0.110 1
1 573 . 3 1 1 A 44 44 ILE C C 44 179.200 178.473 0.727 1
1 574 . 3 1 1 A 44 44 ILE CA C 44 62.100 65.144 -3.044 1
1 575 . 3 1 1 A 44 44 ILE CB C 44 35.700 37.925 -2.225 1
1 579 . 3 1 1 A 44 44 ILE N N 44 119.700 118.999 0.701 1
1 580 . 3 1 1 A 45 45 ILE H H 45 8.460 8.128 0.332 1
1 581 . 3 1 1 A 45 45 ILE HA H 45 3.550 3.869 -0.319 1
1 591 . 3 1 1 A 45 45 ILE C C 45 177.100 177.027 0.073 1
1 592 . 3 1 1 A 45 45 ILE CA C 45 65.100 63.786 1.314 1
1 593 . 3 1 1 A 45 45 ILE CB C 45 36.600 37.224 -0.624 1
1 597 . 3 1 1 A 45 45 ILE N N 45 120.300 120.423 -0.123 1
1 598 . 3 1 1 A 46 46 ALA H H 46 7.750 7.771 -0.021 1
1 599 . 3 1 1 A 46 46 ALA HA H 46 3.950 4.180 -0.230 1
1 603 . 3 1 1 A 46 46 ALA C C 46 178.000 178.092 -0.092 1
1 604 . 3 1 1 A 46 46 ALA CA C 46 54.000 53.000 1.000 1
1 605 . 3 1 1 A 46 46 ALA CB C 46 17.900 18.933 -1.033 1
1 606 . 3 1 1 A 46 46 ALA N N 46 120.000 123.380 -3.380 1
1 607 . 3 1 1 A 47 47 GLN H H 47 7.610 7.633 -0.023 1
1 608 . 3 1 1 A 47 47 GLN HA H 47 4.190 4.383 -0.193 1
1 615 . 3 1 1 A 47 47 GLN C C 47 177.100 175.650 1.450 1
1 616 . 3 1 1 A 47 47 GLN CA C 47 56.000 56.267 -0.267 1
1 617 . 3 1 1 A 47 47 GLN CB C 47 29.000 29.597 -0.597 1
1 620 . 3 1 1 A 47 47 GLN N N 47 114.000 115.722 -1.722 1
1 622 . 3 1 1 A 48 48 VAL H H 48 7.740 7.239 0.501 1
1 623 . 3 1 1 A 48 48 VAL HA H 48 4.390 4.612 -0.222 1
1 631 . 3 1 1 A 48 48 VAL CA C 48 59.900 58.491 1.409 1
1 632 . 3 1 1 A 48 48 VAL CB C 48 31.900 33.534 -1.634 1
1 635 . 3 1 1 A 48 48 VAL N N 48 122.400 114.563 7.837 1
1 636 . 3 1 1 A 49 49 PRO HA H 49 4.340 4.503 -0.163 1
1 643 . 3 1 1 A 49 49 PRO C C 49 177.700 177.571 0.129 1
1 644 . 3 1 1 A 49 49 PRO CA C 49 63.700 63.186 0.514 1
1 645 . 3 1 1 A 49 49 PRO CB C 49 32.300 32.599 -0.299 1
1 648 . 3 1 1 A 50 50 GLU H H 50 8.960 8.661 0.299 1
1 649 . 3 1 1 A 50 50 GLU HA H 50 3.580 3.967 -0.387 1
1 654 . 3 1 1 A 50 50 GLU C C 50 178.300 178.586 -0.286 1
1 655 . 3 1 1 A 50 50 GLU CA C 50 60.800 58.805 1.995 1
1 656 . 3 1 1 A 50 50 GLU CB C 50 29.900 29.137 0.763 1
1 658 . 3 1 1 A 50 50 GLU N N 50 124.400 122.895 1.505 1
1 659 . 3 1 1 A 51 51 SER H H 51 8.640 8.018 0.622 1
1 660 . 3 1 1 A 51 51 SER HA H 51 4.240 4.159 0.081 1
1 663 . 3 1 1 A 51 51 SER C C 51 175.200 176.131 -0.931 1
1 664 . 3 1 1 A 51 51 SER CA C 51 60.600 61.512 -0.912 1
1 665 . 3 1 1 A 51 51 SER CB C 51 62.600 62.989 -0.389 1
1 666 . 3 1 1 A 51 51 SER N N 51 112.000 116.310 -4.310 1
1 667 . 3 1 1 A 52 52 LYS H H 52 7.950 7.746 0.204 1
1 668 . 3 1 1 A 52 52 LYS HA H 52 4.650 4.237 0.413 1
1 677 . 3 1 1 A 52 52 LYS C C 52 176.700 178.724 -2.024 1
1 678 . 3 1 1 A 52 52 LYS CA C 52 55.500 57.767 -2.267 1
1 679 . 3 1 1 A 52 52 LYS CB C 52 34.000 32.875 1.125 1
1 683 . 3 1 1 A 52 52 LYS N N 52 119.600 121.006 -1.406 1
1 684 . 3 1 1 A 53 53 ARG H H 53 7.290 8.093 -0.803 1
1 685 . 3 1 1 A 53 53 ARG HA H 53 3.530 4.091 -0.561 1
1 695 . 3 1 1 A 53 53 ARG C C 53 177.300 178.775 -1.475 1
1 696 . 3 1 1 A 53 53 ARG CA C 53 61.700 58.709 2.991 1
1 697 . 3 1 1 A 53 53 ARG CB C 53 30.800 29.744 1.056 1
1 700 . 3 1 1 A 53 53 ARG N N 53 119.000 120.652 -1.652 1
1 702 . 3 1 1 A 54 54 VAL H H 54 8.440 7.739 0.701 1
1 703 . 3 1 1 A 54 54 VAL HA H 54 3.460 3.624 -0.164 1
1 711 . 3 1 1 A 54 54 VAL C C 54 177.400 178.007 -0.607 1
1 712 . 3 1 1 A 54 54 VAL CA C 54 67.200 66.393 0.807 1
1 713 . 3 1 1 A 54 54 VAL CB C 54 31.000 31.692 -0.692 1
1 716 . 3 1 1 A 54 54 VAL N N 54 118.400 119.626 -1.226 1
1 717 . 3 1 1 A 55 55 ALA H H 55 8.120 8.049 0.071 1
1 718 . 3 1 1 A 55 55 ALA HA H 55 4.180 4.049 0.131 1
1 722 . 3 1 1 A 55 55 ALA C C 55 180.700 180.057 0.643 1
1 723 . 3 1 1 A 55 55 ALA CA C 55 55.000 55.330 -0.330 1
1 724 . 3 1 1 A 55 55 ALA CB C 55 17.900 18.292 -0.392 1
1 725 . 3 1 1 A 55 55 ALA N N 55 122.300 122.202 0.098 1
1 726 . 3 1 1 A 56 56 VAL H H 56 8.040 8.487 -0.447 1
1 727 . 3 1 1 A 56 56 VAL HA H 56 3.780 3.579 0.201 1
1 735 . 3 1 1 A 56 56 VAL C C 56 179.400 178.094 1.306 1
1 736 . 3 1 1 A 56 56 VAL CA C 56 66.700 66.931 -0.231 1
1 737 . 3 1 1 A 56 56 VAL CB C 56 31.400 31.420 -0.020 1
1 740 . 3 1 1 A 56 56 VAL N N 56 117.900 118.870 -0.970 1
1 741 . 3 1 1 A 57 57 VAL H H 57 8.510 8.026 0.484 1
1 742 . 3 1 1 A 57 57 VAL HA H 57 3.760 3.792 -0.032 1
1 750 . 3 1 1 A 57 57 VAL C C 57 177.900 177.394 0.506 1
1 751 . 3 1 1 A 57 57 VAL CA C 57 66.700 65.182 1.518 1
1 752 . 3 1 1 A 57 57 VAL CB C 57 31.400 31.127 0.273 1
1 755 . 3 1 1 A 57 57 VAL N N 57 121.600 120.112 1.488 1
1 756 . 3 1 1 A 58 58 ASP H H 58 8.800 8.072 0.728 1
1 757 . 3 1 1 A 58 58 ASP HA H 58 4.420 4.683 -0.263 1
1 760 . 3 1 1 A 58 58 ASP C C 58 178.500 178.736 -0.236 1
1 761 . 3 1 1 A 58 58 ASP CA C 58 57.800 57.713 0.087 1
1 762 . 3 1 1 A 58 58 ASP CB C 58 40.000 41.184 -1.184 1
1 763 . 3 1 1 A 58 58 ASP N N 58 124.800 121.219 3.581 1
1 764 . 3 1 1 A 59 59 ASN H H 59 8.500 8.200 0.300 1
1 765 . 3 1 1 A 59 59 ASN HA H 59 4.460 4.476 -0.016 1
1 770 . 3 1 1 A 59 59 ASN C C 59 177.700 177.822 -0.122 1
1 771 . 3 1 1 A 59 59 ASN CA C 59 56.500 56.348 0.152 1
1 772 . 3 1 1 A 59 59 ASN CB C 59 38.300 37.819 0.481 1
1 774 . 3 1 1 A 59 59 ASN N N 59 118.800 117.115 1.685 1
1 776 . 3 1 1 A 60 60 PHE H H 60 8.540 8.266 0.274 1
1 777 . 3 1 1 A 60 60 PHE HA H 60 4.210 4.166 0.044 1
1 785 . 3 1 1 A 60 60 PHE C C 60 177.700 177.298 0.402 1
1 786 . 3 1 1 A 60 60 PHE CA C 60 61.600 61.512 0.088 1
1 787 . 3 1 1 A 60 60 PHE CB C 60 39.800 39.193 0.607 1
1 793 . 3 1 1 A 60 60 PHE N N 60 121.800 122.686 -0.886 1
1 794 . 3 1 1 A 61 61 THR H H 61 8.820 8.706 0.114 1
1 795 . 3 1 1 A 61 61 THR HA H 61 3.820 3.978 -0.158 1
1 801 . 3 1 1 A 61 61 THR C C 61 176.700 176.696 0.004 1
1 802 . 3 1 1 A 61 61 THR CA C 61 66.200 66.233 -0.033 1
1 803 . 3 1 1 A 61 61 THR CB C 61 68.400 68.609 -0.209 1
1 805 . 3 1 1 A 61 61 THR N N 61 112.200 110.897 1.303 1
1 806 . 3 1 1 A 62 62 LYS H H 62 8.190 8.370 -0.180 1
1 807 . 3 1 1 A 62 62 LYS HA H 62 4.010 3.931 0.079 1
1 816 . 3 1 1 A 62 62 LYS C C 62 179.100 178.611 0.489 1
1 817 . 3 1 1 A 62 62 LYS CA C 62 60.100 59.318 0.782 1
1 818 . 3 1 1 A 62 62 LYS CB C 62 32.500 32.286 0.214 1
1 822 . 3 1 1 A 62 62 LYS N N 62 124.000 121.943 2.057 1
1 823 . 3 1 1 A 63 63 ALA H H 63 7.800 7.910 -0.110 1
1 824 . 3 1 1 A 63 63 ALA HA H 63 4.070 4.048 0.022 1
1 828 . 3 1 1 A 63 63 ALA C C 63 180.400 180.119 0.281 1
1 829 . 3 1 1 A 63 63 ALA CA C 63 54.700 54.898 -0.198 1
1 830 . 3 1 1 A 63 63 ALA CB C 63 17.800 18.360 -0.560 1
1 831 . 3 1 1 A 63 63 ALA N N 63 121.500 120.826 0.674 1
1 832 . 3 1 1 A 64 64 LEU H H 64 7.850 8.091 -0.241 1
1 833 . 3 1 1 A 64 64 LEU HA H 64 3.900 3.717 0.183 1
1 843 . 3 1 1 A 64 64 LEU C C 64 178.600 178.804 -0.204 1
1 844 . 3 1 1 A 64 64 LEU CA C 64 57.300 58.067 -0.767 1
1 845 . 3 1 1 A 64 64 LEU CB C 64 41.900 41.668 0.232 1
1 849 . 3 1 1 A 64 64 LEU N N 64 120.100 118.991 1.109 1
1 850 . 3 1 1 A 65 65 LYS H H 65 7.970 7.794 0.176 1
1 851 . 3 1 1 A 65 65 LYS HA H 65 3.730 3.925 -0.195 1
1 860 . 3 1 1 A 65 65 LYS C C 65 178.300 179.996 -1.696 1
1 861 . 3 1 1 A 65 65 LYS CA C 65 60.400 60.141 0.259 1
1 862 . 3 1 1 A 65 65 LYS CB C 65 31.900 31.975 -0.075 1
1 866 . 3 1 1 A 65 65 LYS N N 65 118.100 117.520 0.580 1
1 867 . 3 1 1 A 66 66 GLN H H 66 7.820 7.698 0.122 1
1 868 . 3 1 1 A 66 66 GLN HA H 66 3.950 4.022 -0.072 1
1 875 . 3 1 1 A 66 66 GLN C C 66 178.000 178.928 -0.928 1
1 876 . 3 1 1 A 66 66 GLN CA C 66 58.700 58.952 -0.252 1
1 877 . 3 1 1 A 66 66 GLN CB C 66 28.200 28.659 -0.459 1
1 880 . 3 1 1 A 66 66 GLN N N 66 116.800 119.535 -2.735 1
1 882 . 3 1 1 A 67 67 SER H H 67 8.060 8.675 -0.615 1
1 883 . 3 1 1 A 67 67 SER HA H 67 4.150 4.233 -0.083 1
1 886 . 3 1 1 A 67 67 SER C C 67 176.900 177.350 -0.450 1
1 887 . 3 1 1 A 67 67 SER CA C 67 61.500 61.283 0.217 1
1 888 . 3 1 1 A 67 67 SER CB C 67 63.000 62.654 0.346 1
1 889 . 3 1 1 A 67 67 SER N N 67 114.200 114.739 -0.539 1
1 890 . 3 1 1 A 68 68 VAL H H 68 7.860 7.663 0.197 1
1 891 . 3 1 1 A 68 68 VAL HA H 68 3.850 3.554 0.296 1
1 899 . 3 1 1 A 68 68 VAL C C 68 177.600 178.267 -0.667 1
1 900 . 3 1 1 A 68 68 VAL CA C 68 64.900 66.891 -1.991 1
1 901 . 3 1 1 A 68 68 VAL CB C 68 32.000 31.480 0.520 1
1 904 . 3 1 1 A 68 68 VAL N N 68 119.300 122.595 -3.295 1
1 905 . 3 1 1 A 69 69 LEU H H 69 7.880 7.796 0.084 1
1 906 . 3 1 1 A 69 69 LEU HA H 69 4.150 4.034 0.116 1
1 916 . 3 1 1 A 69 69 LEU C C 69 178.400 177.908 0.492 1
1 917 . 3 1 1 A 69 69 LEU CA C 69 56.500 57.956 -1.456 1
1 918 . 3 1 1 A 69 69 LEU CB C 69 41.800 41.522 0.278 1
1 922 . 3 1 1 A 69 69 LEU N N 69 119.800 118.851 0.949 1
1 923 . 3 1 1 A 70 70 GLU H H 70 7.820 7.811 0.009 1
1 924 . 3 1 1 A 70 70 GLU HA H 70 4.130 4.493 -0.363 1
1 929 . 3 1 1 A 70 70 GLU C C 70 176.700 175.956 0.744 1
1 930 . 3 1 1 A 70 70 GLU CA C 70 56.900 55.925 0.975 1
1 931 . 3 1 1 A 70 70 GLU CB C 70 29.800 29.866 -0.066 1
1 933 . 3 1 1 A 70 70 GLU N N 70 118.000 115.789 2.211 1
1 934 . 3 1 1 A 71 71 HIS H H 71 7.950 7.864 0.086 1
1 935 . 3 1 1 A 71 71 HIS HA H 71 4.460 4.680 -0.220 1
1 938 . 3 1 1 A 71 71 HIS C C 71 174.700 174.692 0.008 1
1 939 . 3 1 1 A 71 71 HIS CA C 71 56.300 55.010 1.290 1
1 940 . 3 1 1 A 71 71 HIS CB C 71 28.800 30.346 -1.546 1
1 941 . 3 1 1 A 71 71 HIS N N 71 117.800 121.895 -4.095 1
1 942 . 3 1 1 A 72 72 HIS H H 72 8.260 8.382 -0.122 1
1 943 . 3 1 1 A 72 72 HIS HA H 72 4.590 4.325 0.265 1
1 946 . 3 1 1 A 72 72 HIS C C 72 174.500 174.237 0.263 1
1 947 . 3 1 1 A 72 72 HIS CA C 72 55.700 56.150 -0.450 1
1 948 . 3 1 1 A 72 72 HIS CB C 72 29.600 29.886 -0.286 1
1 949 . 3 1 1 A 72 72 HIS N N 72 119.100 124.165 -5.065 1
1 950 . 3 1 1 A 73 73 HIS H H 73 8.420 8.640 -0.220 1
1 951 . 3 1 1 A 73 73 HIS HA H 73 4.580 5.204 -0.624 1
1 954 . 3 1 1 A 73 73 HIS C C 73 174.400 173.802 0.598 1
1 955 . 3 1 1 A 73 73 HIS CA C 73 55.500 54.813 0.687 1
1 956 . 3 1 1 A 73 73 HIS CB C 73 29.600 33.703 -4.103 1
1 957 . 3 1 1 A 73 73 HIS N N 73 119.700 122.213 -2.513 1
1 958 . 3 1 1 A 74 74 HIS H H 74 8.470 8.811 -0.341 1
1 959 . 3 1 1 A 74 74 HIS HA H 74 4.570 4.595 -0.025 1
1 962 . 3 1 1 A 74 74 HIS C C 74 173.600 174.194 -0.594 1
1 963 . 3 1 1 A 74 74 HIS CA C 74 55.600 55.197 0.403 1
1 964 . 3 1 1 A 74 74 HIS CB C 74 29.500 28.418 1.082 1
1 965 . 3 1 1 A 74 74 HIS N N 74 120.500 123.328 -2.828 1
1 966 . 3 1 1 A 75 75 HIS H H 75 8.290 8.790 -0.500 1
1 967 . 3 1 1 A 75 75 HIS HA H 75 4.400 4.742 -0.342 1
1 970 . 3 1 1 A 75 75 HIS CA C 75 57.100 55.377 1.723 1
1 971 . 3 1 1 A 75 75 HIS CB C 75 29.700 29.588 0.112 1
1 1 . 4 1 1 A 2 2 PRO HA H 2 4.400 4.624 -0.224 1
1 8 . 4 1 1 A 2 2 PRO C C 2 172.300 176.552 -4.252 1
1 9 . 4 1 1 A 2 2 PRO CA C 2 62.200 62.138 0.062 1
1 10 . 4 1 1 A 2 2 PRO CB C 2 32.600 33.019 -0.419 1
1 13 . 4 1 1 A 3 3 ILE H H 3 8.630 8.354 0.276 1
1 14 . 4 1 1 A 3 3 ILE HA H 3 4.190 4.249 -0.059 1
1 24 . 4 1 1 A 3 3 ILE C C 3 176.100 175.220 0.880 1
1 25 . 4 1 1 A 3 3 ILE CA C 3 61.500 60.170 1.330 1
1 26 . 4 1 1 A 3 3 ILE CB C 3 38.600 38.314 0.286 1
1 30 . 4 1 1 A 3 3 ILE N N 3 120.700 117.956 2.744 1
1 31 . 4 1 1 A 4 4 VAL H H 4 8.380 8.449 -0.069 1
1 32 . 4 1 1 A 4 4 VAL HA H 4 4.140 4.380 -0.240 1
1 40 . 4 1 1 A 4 4 VAL C C 4 175.800 175.526 0.274 1
1 41 . 4 1 1 A 4 4 VAL CA C 4 62.100 62.147 -0.047 1
1 42 . 4 1 1 A 4 4 VAL CB C 4 32.800 32.069 0.731 1
1 45 . 4 1 1 A 4 4 VAL N N 4 125.500 125.414 0.086 1
1 46 . 4 1 1 A 5 5 SER H H 5 8.450 9.024 -0.574 1
1 47 . 4 1 1 A 5 5 SER HA H 5 4.420 3.557 0.863 1
1 50 . 4 1 1 A 5 5 SER C C 5 174.300 173.631 0.669 1
1 51 . 4 1 1 A 5 5 SER CA C 5 57.900 60.218 -2.318 1
1 52 . 4 1 1 A 5 5 SER CB C 5 64.000 61.790 2.210 1
1 53 . 4 1 1 A 5 5 SER N N 5 120.500 118.404 2.096 1
1 54 . 4 1 1 A 6 6 LYS H H 6 8.330 8.492 -0.162 1
1 55 . 4 1 1 A 6 6 LYS HA H 6 4.150 3.813 0.337 1
1 64 . 4 1 1 A 6 6 LYS C C 6 176.000 174.836 1.164 1
1 65 . 4 1 1 A 6 6 LYS CA C 6 56.800 56.873 -0.073 1
1 66 . 4 1 1 A 6 6 LYS CB C 6 33.000 30.873 2.127 1
1 70 . 4 1 1 A 6 6 LYS N N 6 123.400 122.881 0.519 1
1 71 . 4 1 1 A 7 7 TYR H H 7 8.150 7.860 0.290 1
1 72 . 4 1 1 A 7 7 TYR HA H 7 4.640 4.678 -0.038 1
1 79 . 4 1 1 A 7 7 TYR C C 7 175.400 175.886 -0.486 1
1 80 . 4 1 1 A 7 7 TYR CA C 7 56.700 58.048 -1.348 1
1 81 . 4 1 1 A 7 7 TYR CB C 7 39.300 40.075 -0.775 1
1 86 . 4 1 1 A 7 7 TYR N N 7 120.000 121.615 -1.615 1
1 87 . 4 1 1 A 8 8 SER H H 8 8.360 8.974 -0.614 1
1 88 . 4 1 1 A 8 8 SER HA H 8 4.400 4.551 -0.151 1
1 91 . 4 1 1 A 8 8 SER C C 8 174.700 176.125 -1.425 1
1 92 . 4 1 1 A 8 8 SER CA C 8 57.600 59.878 -2.278 1
1 93 . 4 1 1 A 8 8 SER CB C 8 64.000 63.386 0.614 1
1 94 . 4 1 1 A 8 8 SER N N 8 118.100 119.456 -1.356 1
1 95 . 4 1 1 A 9 9 ASN H H 9 8.900 8.987 -0.087 1
1 96 . 4 1 1 A 9 9 ASN HA H 9 4.400 4.395 0.005 1
1 101 . 4 1 1 A 9 9 ASN C C 9 176.800 177.680 -0.880 1
1 102 . 4 1 1 A 9 9 ASN CA C 9 55.900 55.870 0.030 1
1 103 . 4 1 1 A 9 9 ASN CB C 9 38.300 37.486 0.814 1
1 105 . 4 1 1 A 9 9 ASN N N 9 122.300 123.252 -0.952 1
1 107 . 4 1 1 A 10 10 GLU H H 10 8.740 8.257 0.483 1
1 108 . 4 1 1 A 10 10 GLU HA H 10 4.000 4.038 -0.038 1
1 113 . 4 1 1 A 10 10 GLU C C 10 178.500 179.361 -0.861 1
1 114 . 4 1 1 A 10 10 GLU CA C 10 59.900 59.434 0.466 1
1 115 . 4 1 1 A 10 10 GLU CB C 10 29.000 29.611 -0.611 1
1 117 . 4 1 1 A 10 10 GLU N N 10 119.000 120.237 -1.237 1
1 118 . 4 1 1 A 11 11 ARG H H 11 7.750 7.568 0.182 1
1 119 . 4 1 1 A 11 11 ARG HA H 11 4.070 4.195 -0.125 1
1 127 . 4 1 1 A 11 11 ARG C C 11 178.000 178.800 -0.800 1
1 128 . 4 1 1 A 11 11 ARG CA C 11 58.800 58.621 0.179 1
1 129 . 4 1 1 A 11 11 ARG CB C 11 30.100 29.933 0.167 1
1 132 . 4 1 1 A 11 11 ARG N N 11 121.500 120.398 1.102 1
1 134 . 4 1 1 A 12 12 VAL H H 12 7.830 8.251 -0.421 1
1 135 . 4 1 1 A 12 12 VAL HA H 12 3.420 3.488 -0.068 1
1 143 . 4 1 1 A 12 12 VAL C C 12 177.400 177.656 -0.256 1
1 144 . 4 1 1 A 12 12 VAL CA C 12 67.000 66.794 0.206 1
1 145 . 4 1 1 A 12 12 VAL CB C 12 32.100 31.443 0.657 1
1 148 . 4 1 1 A 12 12 VAL N N 12 118.800 120.168 -1.368 1
1 149 . 4 1 1 A 13 13 GLU H H 13 8.220 8.380 -0.160 1
1 150 . 4 1 1 A 13 13 GLU HA H 13 3.890 4.056 -0.166 1
1 155 . 4 1 1 A 13 13 GLU C C 13 178.900 179.402 -0.502 1
1 156 . 4 1 1 A 13 13 GLU CA C 13 59.500 59.218 0.282 1
1 157 . 4 1 1 A 13 13 GLU CB C 13 29.000 29.047 -0.047 1
1 159 . 4 1 1 A 13 13 GLU N N 13 116.800 118.678 -1.878 1
1 160 . 4 1 1 A 14 14 LYS H H 14 7.600 7.984 -0.384 1
1 161 . 4 1 1 A 14 14 LYS HA H 14 4.030 4.102 -0.072 1
1 170 . 4 1 1 A 14 14 LYS C C 14 177.700 178.866 -1.166 1
1 171 . 4 1 1 A 14 14 LYS CA C 14 59.100 59.309 -0.209 1
1 172 . 4 1 1 A 14 14 LYS CB C 14 32.100 32.298 -0.198 1
1 176 . 4 1 1 A 14 14 LYS N N 14 120.400 120.755 -0.355 1
1 177 . 4 1 1 A 15 15 ILE H H 15 7.830 7.939 -0.109 1
1 178 . 4 1 1 A 15 15 ILE HA H 15 3.630 3.636 -0.006 1
1 188 . 4 1 1 A 15 15 ILE C C 15 178.200 178.051 0.149 1
1 189 . 4 1 1 A 15 15 ILE CA C 15 65.700 65.597 0.103 1
1 190 . 4 1 1 A 15 15 ILE CB C 15 37.500 37.786 -0.286 1
1 194 . 4 1 1 A 15 15 ILE N N 15 119.700 118.857 0.843 1
1 195 . 4 1 1 A 16 16 ILE H H 16 8.080 8.155 -0.075 1
1 196 . 4 1 1 A 16 16 ILE HA H 16 3.360 3.506 -0.146 1
1 206 . 4 1 1 A 16 16 ILE C C 16 177.500 178.251 -0.751 1
1 207 . 4 1 1 A 16 16 ILE CA C 16 66.600 65.568 1.032 1
1 208 . 4 1 1 A 16 16 ILE CB C 16 38.300 37.822 0.478 1
1 212 . 4 1 1 A 16 16 ILE N N 16 117.900 121.111 -3.211 1
1 213 . 4 1 1 A 17 17 GLN H H 17 8.010 8.378 -0.368 1
1 214 . 4 1 1 A 17 17 GLN HA H 17 3.830 3.926 -0.096 1
1 221 . 4 1 1 A 17 17 GLN C C 17 178.000 177.314 0.686 1
1 222 . 4 1 1 A 17 17 GLN CA C 17 58.400 58.969 -0.569 1
1 223 . 4 1 1 A 17 17 GLN CB C 17 28.100 28.278 -0.178 1
1 225 . 4 1 1 A 17 17 GLN N N 17 117.900 120.235 -2.335 1
1 227 . 4 1 1 A 18 18 ASP H H 18 8.710 8.310 0.400 1
1 228 . 4 1 1 A 18 18 ASP HA H 18 4.400 4.402 -0.002 1
1 231 . 4 1 1 A 18 18 ASP C C 18 179.800 178.906 0.894 1
1 232 . 4 1 1 A 18 18 ASP CA C 18 57.400 57.194 0.206 1
1 233 . 4 1 1 A 18 18 ASP CB C 18 39.900 41.145 -1.245 1
1 234 . 4 1 1 A 18 18 ASP N N 18 121.000 120.189 0.811 1
1 235 . 4 1 1 A 19 19 LEU H H 19 8.260 8.105 0.155 1
1 236 . 4 1 1 A 19 19 LEU HA H 19 4.010 4.046 -0.036 1
1 246 . 4 1 1 A 19 19 LEU C C 19 178.200 179.900 -1.700 1
1 247 . 4 1 1 A 19 19 LEU CA C 19 58.100 58.285 -0.185 1
1 248 . 4 1 1 A 19 19 LEU CB C 19 42.400 41.788 0.612 1
1 252 . 4 1 1 A 19 19 LEU N N 19 120.800 119.804 0.996 1
1 253 . 4 1 1 A 20 20 LEU H H 20 8.160 8.380 -0.220 1
1 254 . 4 1 1 A 20 20 LEU HA H 20 3.940 3.923 0.017 1
1 264 . 4 1 1 A 20 20 LEU C C 20 180.100 179.001 1.099 1
1 265 . 4 1 1 A 20 20 LEU CA C 20 57.900 57.892 0.008 1
1 266 . 4 1 1 A 20 20 LEU CB C 20 40.800 40.696 0.104 1
1 270 . 4 1 1 A 20 20 LEU N N 20 117.300 118.511 -1.211 1
1 271 . 4 1 1 A 21 21 ASP H H 21 9.000 8.560 0.440 1
1 272 . 4 1 1 A 21 21 ASP HA H 21 4.420 4.299 0.121 1
1 275 . 4 1 1 A 21 21 ASP C C 21 179.000 178.639 0.361 1
1 276 . 4 1 1 A 21 21 ASP CA C 21 57.300 57.783 -0.483 1
1 277 . 4 1 1 A 21 21 ASP CB C 21 40.500 40.926 -0.426 1
1 278 . 4 1 1 A 21 21 ASP N N 21 120.000 120.265 -0.265 1
1 279 . 4 1 1 A 22 22 VAL H H 22 7.370 7.809 -0.439 1
1 280 . 4 1 1 A 22 22 VAL HA H 22 3.600 3.565 0.035 1
1 288 . 4 1 1 A 22 22 VAL C C 22 177.700 178.187 -0.487 1
1 289 . 4 1 1 A 22 22 VAL CA C 22 66.300 66.889 -0.589 1
1 290 . 4 1 1 A 22 22 VAL CB C 22 32.000 31.263 0.737 1
1 293 . 4 1 1 A 22 22 VAL N N 22 119.800 119.913 -0.113 1
1 294 . 4 1 1 A 23 23 LEU H H 23 6.880 7.861 -0.981 1
1 295 . 4 1 1 A 23 23 LEU HA H 23 3.880 3.888 -0.008 1
1 305 . 4 1 1 A 23 23 LEU C C 23 179.100 179.246 -0.146 1
1 306 . 4 1 1 A 23 23 LEU CA C 23 57.100 58.243 -1.143 1
1 307 . 4 1 1 A 23 23 LEU CB C 23 40.600 42.096 -1.496 1
1 311 . 4 1 1 A 23 23 LEU N N 23 116.500 119.590 -3.090 1
1 312 . 4 1 1 A 24 24 VAL H H 24 8.430 8.325 0.105 1
1 313 . 4 1 1 A 24 24 VAL HA H 24 3.780 3.564 0.216 1
1 321 . 4 1 1 A 24 24 VAL C C 24 180.800 178.236 2.564 1
1 322 . 4 1 1 A 24 24 VAL CA C 24 65.900 66.961 -1.061 1
1 323 . 4 1 1 A 24 24 VAL CB C 24 32.200 31.455 0.745 1
1 326 . 4 1 1 A 24 24 VAL N N 24 120.300 118.998 1.302 1
1 327 . 4 1 1 A 25 25 LYS H H 25 8.380 8.408 -0.028 1
1 328 . 4 1 1 A 25 25 LYS HA H 25 4.030 3.988 0.042 1
1 337 . 4 1 1 A 25 25 LYS C C 25 178.500 178.363 0.137 1
1 338 . 4 1 1 A 25 25 LYS CA C 25 59.400 59.237 0.163 1
1 339 . 4 1 1 A 25 25 LYS CB C 25 32.300 32.234 0.066 1
1 343 . 4 1 1 A 25 25 LYS N N 25 121.900 119.758 2.142 1
1 344 . 4 1 1 A 26 26 GLU H H 26 7.360 7.819 -0.459 1
1 345 . 4 1 1 A 26 26 GLU HA H 26 4.330 4.405 -0.075 1
1 350 . 4 1 1 A 26 26 GLU C C 26 175.000 175.799 -0.799 1
1 351 . 4 1 1 A 26 26 GLU CA C 26 56.000 56.481 -0.481 1
1 352 . 4 1 1 A 26 26 GLU CB C 26 29.800 29.840 -0.040 1
1 354 . 4 1 1 A 26 26 GLU N N 26 115.000 115.723 -0.723 1
1 355 . 4 1 1 A 27 27 GLU H H 27 7.980 7.862 0.118 1
1 356 . 4 1 1 A 27 27 GLU HA H 27 3.950 3.835 0.115 1
1 361 . 4 1 1 A 27 27 GLU C C 27 175.900 175.030 0.870 1
1 362 . 4 1 1 A 27 27 GLU CA C 27 56.900 57.501 -0.601 1
1 363 . 4 1 1 A 27 27 GLU CB C 27 27.100 27.405 -0.305 1
1 365 . 4 1 1 A 27 27 GLU N N 27 116.300 117.210 -0.910 1
1 366 . 4 1 1 A 28 28 VAL H H 28 7.370 7.490 -0.120 1
1 367 . 4 1 1 A 28 28 VAL HA H 28 4.200 4.214 -0.014 1
1 375 . 4 1 1 A 28 28 VAL C C 28 176.700 175.811 0.889 1
1 376 . 4 1 1 A 28 28 VAL CA C 28 61.600 61.656 -0.056 1
1 377 . 4 1 1 A 28 28 VAL CB C 28 32.600 32.786 -0.186 1
1 380 . 4 1 1 A 28 28 VAL N N 28 112.200 115.377 -3.177 1
1 381 . 4 1 1 A 29 29 THR H H 29 7.400 8.868 -1.468 1
1 382 . 4 1 1 A 29 29 THR HA H 29 4.640 4.821 -0.181 1
1 387 . 4 1 1 A 29 29 THR CA C 29 59.900 60.226 -0.326 1
1 388 . 4 1 1 A 29 29 THR CB C 29 67.900 68.936 -1.036 1
1 390 . 4 1 1 A 29 29 THR N N 29 113.900 114.653 -0.753 1
1 391 . 4 1 1 A 30 30 PRO HA H 30 4.130 4.214 -0.084 1
1 398 . 4 1 1 A 30 30 PRO C C 30 177.600 177.540 0.060 1
1 399 . 4 1 1 A 30 30 PRO CA C 30 66.300 65.743 0.557 1
1 400 . 4 1 1 A 30 30 PRO CB C 30 31.500 31.761 -0.261 1
1 403 . 4 1 1 A 31 31 ASP H H 31 8.390 8.268 0.122 1
1 404 . 4 1 1 A 31 31 ASP HA H 31 4.240 4.410 -0.170 1
1 407 . 4 1 1 A 31 31 ASP C C 31 178.900 178.597 0.303 1
1 408 . 4 1 1 A 31 31 ASP CA C 31 57.000 57.035 -0.035 1
1 409 . 4 1 1 A 31 31 ASP CB C 31 40.000 41.687 -1.687 1
1 410 . 4 1 1 A 31 31 ASP N N 31 113.200 117.550 -4.350 1
1 411 . 4 1 1 A 32 32 LEU H H 32 7.460 7.854 -0.394 1
1 412 . 4 1 1 A 32 32 LEU HA H 32 4.190 4.089 0.101 1
1 422 . 4 1 1 A 32 32 LEU C C 32 178.900 178.298 0.602 1
1 423 . 4 1 1 A 32 32 LEU CA C 32 57.000 57.811 -0.811 1
1 424 . 4 1 1 A 32 32 LEU CB C 32 41.300 41.393 -0.093 1
1 428 . 4 1 1 A 32 32 LEU N N 32 123.000 120.603 2.397 1
1 429 . 4 1 1 A 33 33 ALA H H 33 8.930 8.541 0.389 1
1 430 . 4 1 1 A 33 33 ALA HA H 33 3.730 4.077 -0.347 1
1 434 . 4 1 1 A 33 33 ALA C C 33 179.800 180.335 -0.535 1
1 435 . 4 1 1 A 33 33 ALA CA C 33 55.900 55.204 0.696 1
1 436 . 4 1 1 A 33 33 ALA CB C 33 19.100 18.040 1.060 1
1 437 . 4 1 1 A 33 33 ALA N N 33 122.700 120.796 1.904 1
1 438 . 4 1 1 A 34 34 LEU H H 34 8.420 8.320 0.100 1
1 439 . 4 1 1 A 34 34 LEU HA H 34 4.010 3.906 0.104 1
1 449 . 4 1 1 A 34 34 LEU C C 34 179.700 178.750 0.950 1
1 450 . 4 1 1 A 34 34 LEU CA C 34 58.200 57.986 0.214 1
1 451 . 4 1 1 A 34 34 LEU CB C 34 41.200 41.588 -0.388 1
1 455 . 4 1 1 A 34 34 LEU N N 34 115.800 118.784 -2.984 1
1 456 . 4 1 1 A 35 35 MET H H 35 7.730 8.197 -0.467 1
1 457 . 4 1 1 A 35 35 MET HA H 35 4.240 4.230 0.010 1
1 465 . 4 1 1 A 35 35 MET C C 35 179.500 178.302 1.198 1
1 466 . 4 1 1 A 35 35 MET CA C 35 59.300 58.553 0.747 1
1 467 . 4 1 1 A 35 35 MET CB C 35 32.900 32.348 0.552 1
1 470 . 4 1 1 A 35 35 MET N N 35 121.400 118.154 3.246 1
1 471 . 4 1 1 A 36 36 CYS H H 36 8.420 8.097 0.323 1
1 472 . 4 1 1 A 36 36 CYS HA H 36 3.950 4.343 -0.393 1
1 475 . 4 1 1 A 36 36 CYS C C 36 177.000 177.099 -0.099 1
1 476 . 4 1 1 A 36 36 CYS CA C 36 64.200 63.559 0.641 1
1 477 . 4 1 1 A 36 36 CYS CB C 36 27.200 28.037 -0.837 1
1 478 . 4 1 1 A 36 36 CYS N N 36 118.600 117.579 1.021 1
1 479 . 4 1 1 A 37 37 LEU H H 37 9.020 8.847 0.173 1
1 480 . 4 1 1 A 37 37 LEU HA H 37 3.940 3.992 -0.052 1
1 490 . 4 1 1 A 37 37 LEU C C 37 179.100 179.278 -0.178 1
1 491 . 4 1 1 A 37 37 LEU CA C 37 58.300 58.460 -0.160 1
1 492 . 4 1 1 A 37 37 LEU CB C 37 42.200 41.977 0.223 1
1 496 . 4 1 1 A 37 37 LEU N N 37 119.600 120.708 -1.108 1
1 497 . 4 1 1 A 38 38 GLY H H 38 8.940 8.419 0.521 1
1 498 . 4 1 1 A 38 38 GLY HA2 H 38 3.610 3.798 -0.188 1
1 499 . 4 1 1 A 38 38 GLY HA3 H 38 3.970 3.816 0.154 1
1 500 . 4 1 1 A 38 38 GLY C C 38 179.800 175.812 3.988 1
1 501 . 4 1 1 A 38 38 GLY CA C 38 47.900 47.295 0.605 1
1 502 . 4 1 1 A 38 38 GLY N N 38 106.600 105.100 1.500 1
1 503 . 4 1 1 A 39 39 ASN H H 39 7.790 8.382 -0.592 1
1 504 . 4 1 1 A 39 39 ASN HA H 39 4.440 4.433 0.007 1
1 509 . 4 1 1 A 39 39 ASN C C 39 178.000 177.548 0.452 1
1 510 . 4 1 1 A 39 39 ASN CA C 39 56.300 56.547 -0.247 1
1 511 . 4 1 1 A 39 39 ASN CB C 39 39.500 39.011 0.489 1
1 513 . 4 1 1 A 39 39 ASN N N 39 120.900 119.793 1.107 1
1 515 . 4 1 1 A 40 40 ALA H H 40 8.260 7.639 0.621 1
1 516 . 4 1 1 A 40 40 ALA HA H 40 3.970 4.088 -0.118 1
1 520 . 4 1 1 A 40 40 ALA C C 40 178.200 179.610 -1.410 1
1 521 . 4 1 1 A 40 40 ALA CA C 40 55.900 55.116 0.784 1
1 522 . 4 1 1 A 40 40 ALA CB C 40 17.200 18.446 -1.246 1
1 523 . 4 1 1 A 40 40 ALA N N 40 123.900 121.767 2.133 1
1 524 . 4 1 1 A 41 41 VAL H H 41 8.410 8.224 0.186 1
1 525 . 4 1 1 A 41 41 VAL HA H 41 3.180 3.355 -0.175 1
1 533 . 4 1 1 A 41 41 VAL C C 41 177.800 178.588 -0.788 1
1 534 . 4 1 1 A 41 41 VAL CA C 41 67.000 67.192 -0.192 1
1 535 . 4 1 1 A 41 41 VAL CB C 41 30.900 31.449 -0.549 1
1 538 . 4 1 1 A 41 41 VAL N N 41 116.900 117.982 -1.082 1
1 539 . 4 1 1 A 42 42 THR H H 42 8.210 8.239 -0.029 1
1 540 . 4 1 1 A 42 42 THR HA H 42 3.430 3.763 -0.333 1
1 545 . 4 1 1 A 42 42 THR C C 42 175.900 176.215 -0.315 1
1 546 . 4 1 1 A 42 42 THR CA C 42 67.500 67.255 0.245 1
1 547 . 4 1 1 A 42 42 THR CB C 42 68.000 68.289 -0.289 1
1 549 . 4 1 1 A 42 42 THR N N 42 114.800 117.053 -2.253 1
1 550 . 4 1 1 A 43 43 ASN H H 43 7.600 7.983 -0.383 1
1 551 . 4 1 1 A 43 43 ASN HA H 43 4.170 4.352 -0.182 1
1 556 . 4 1 1 A 43 43 ASN C C 43 177.300 177.864 -0.564 1
1 557 . 4 1 1 A 43 43 ASN CA C 43 57.000 56.738 0.262 1
1 558 . 4 1 1 A 43 43 ASN CB C 43 39.400 39.141 0.259 1
1 560 . 4 1 1 A 43 43 ASN N N 43 120.300 119.246 1.054 1
1 562 . 4 1 1 A 44 44 ILE H H 44 7.630 7.461 0.169 1
1 563 . 4 1 1 A 44 44 ILE HA H 44 3.770 3.613 0.157 1
1 573 . 4 1 1 A 44 44 ILE C C 44 179.200 178.472 0.728 1
1 574 . 4 1 1 A 44 44 ILE CA C 44 62.100 65.260 -3.160 1
1 575 . 4 1 1 A 44 44 ILE CB C 44 35.700 37.766 -2.066 1
1 579 . 4 1 1 A 44 44 ILE N N 44 119.700 118.937 0.763 1
1 580 . 4 1 1 A 45 45 ILE H H 45 8.460 8.163 0.297 1
1 581 . 4 1 1 A 45 45 ILE HA H 45 3.550 3.779 -0.229 1
1 591 . 4 1 1 A 45 45 ILE C C 45 177.100 178.293 -1.193 1
1 592 . 4 1 1 A 45 45 ILE CA C 45 65.100 64.436 0.664 1
1 593 . 4 1 1 A 45 45 ILE CB C 45 36.600 36.544 0.056 1
1 597 . 4 1 1 A 45 45 ILE N N 45 120.300 119.203 1.097 1
1 598 . 4 1 1 A 46 46 ALA H H 46 7.750 7.900 -0.150 1
1 599 . 4 1 1 A 46 46 ALA HA H 46 3.950 4.093 -0.143 1
1 603 . 4 1 1 A 46 46 ALA C C 46 178.000 178.288 -0.288 1
1 604 . 4 1 1 A 46 46 ALA CA C 46 54.000 54.274 -0.274 1
1 605 . 4 1 1 A 46 46 ALA CB C 46 17.900 18.143 -0.243 1
1 606 . 4 1 1 A 46 46 ALA N N 46 120.000 123.312 -3.312 1
1 607 . 4 1 1 A 47 47 GLN H H 47 7.610 7.424 0.186 1
1 608 . 4 1 1 A 47 47 GLN HA H 47 4.190 4.404 -0.214 1
1 615 . 4 1 1 A 47 47 GLN C C 47 177.100 175.630 1.470 1
1 616 . 4 1 1 A 47 47 GLN CA C 47 56.000 55.675 0.325 1
1 617 . 4 1 1 A 47 47 GLN CB C 47 29.000 29.673 -0.673 1
1 620 . 4 1 1 A 47 47 GLN N N 47 114.000 115.016 -1.016 1
1 622 . 4 1 1 A 48 48 VAL H H 48 7.740 7.624 0.116 1
1 623 . 4 1 1 A 48 48 VAL HA H 48 4.390 4.177 0.213 1
1 631 . 4 1 1 A 48 48 VAL CA C 48 59.900 59.714 0.186 1
1 632 . 4 1 1 A 48 48 VAL CB C 48 31.900 32.173 -0.273 1
1 635 . 4 1 1 A 48 48 VAL N N 48 122.400 122.204 0.196 1
1 636 . 4 1 1 A 49 49 PRO HA H 49 4.340 4.586 -0.246 1
1 643 . 4 1 1 A 49 49 PRO C C 49 177.700 177.885 -0.185 1
1 644 . 4 1 1 A 49 49 PRO CA C 49 63.700 62.788 0.912 1
1 645 . 4 1 1 A 49 49 PRO CB C 49 32.300 32.523 -0.223 1
1 648 . 4 1 1 A 50 50 GLU H H 50 8.960 9.020 -0.060 1
1 649 . 4 1 1 A 50 50 GLU HA H 50 3.580 4.006 -0.426 1
1 654 . 4 1 1 A 50 50 GLU C C 50 178.300 178.228 0.072 1
1 655 . 4 1 1 A 50 50 GLU CA C 50 60.800 59.510 1.290 1
1 656 . 4 1 1 A 50 50 GLU CB C 50 29.900 29.296 0.604 1
1 658 . 4 1 1 A 50 50 GLU N N 50 124.400 124.695 -0.295 1
1 659 . 4 1 1 A 51 51 SER H H 51 8.640 8.151 0.489 1
1 660 . 4 1 1 A 51 51 SER HA H 51 4.240 4.216 0.024 1
1 663 . 4 1 1 A 51 51 SER C C 51 175.200 175.311 -0.111 1
1 664 . 4 1 1 A 51 51 SER CA C 51 60.600 61.805 -1.205 1
1 665 . 4 1 1 A 51 51 SER CB C 51 62.600 62.984 -0.384 1
1 666 . 4 1 1 A 51 51 SER N N 51 112.000 117.321 -5.321 1
1 667 . 4 1 1 A 52 52 LYS H H 52 7.950 7.970 -0.020 1
1 668 . 4 1 1 A 52 52 LYS HA H 52 4.650 4.563 0.087 1
1 677 . 4 1 1 A 52 52 LYS C C 52 176.700 178.121 -1.421 1
1 678 . 4 1 1 A 52 52 LYS CA C 52 55.500 56.195 -0.695 1
1 679 . 4 1 1 A 52 52 LYS CB C 52 34.000 33.600 0.400 1
1 683 . 4 1 1 A 52 52 LYS N N 52 119.600 116.885 2.715 1
1 684 . 4 1 1 A 53 53 ARG H H 53 7.290 7.821 -0.531 1
1 685 . 4 1 1 A 53 53 ARG HA H 53 3.530 4.059 -0.529 1
1 695 . 4 1 1 A 53 53 ARG C C 53 177.300 178.882 -1.582 1
1 696 . 4 1 1 A 53 53 ARG CA C 53 61.700 59.095 2.605 1
1 697 . 4 1 1 A 53 53 ARG CB C 53 30.800 29.762 1.038 1
1 700 . 4 1 1 A 53 53 ARG N N 53 119.000 120.772 -1.772 1
1 702 . 4 1 1 A 54 54 VAL H H 54 8.440 8.237 0.203 1
1 703 . 4 1 1 A 54 54 VAL HA H 54 3.460 3.622 -0.162 1
1 711 . 4 1 1 A 54 54 VAL C C 54 177.400 178.022 -0.622 1
1 712 . 4 1 1 A 54 54 VAL CA C 54 67.200 66.224 0.976 1
1 713 . 4 1 1 A 54 54 VAL CB C 54 31.000 31.376 -0.376 1
1 716 . 4 1 1 A 54 54 VAL N N 54 118.400 119.601 -1.201 1
1 717 . 4 1 1 A 55 55 ALA H H 55 8.120 8.115 0.005 1
1 718 . 4 1 1 A 55 55 ALA HA H 55 4.180 4.080 0.100 1
1 722 . 4 1 1 A 55 55 ALA C C 55 180.700 179.672 1.028 1
1 723 . 4 1 1 A 55 55 ALA CA C 55 55.000 55.430 -0.430 1
1 724 . 4 1 1 A 55 55 ALA CB C 55 17.900 18.396 -0.496 1
1 725 . 4 1 1 A 55 55 ALA N N 55 122.300 122.299 0.001 1
1 726 . 4 1 1 A 56 56 VAL H H 56 8.040 8.392 -0.352 1
1 727 . 4 1 1 A 56 56 VAL HA H 56 3.780 3.775 0.005 1
1 735 . 4 1 1 A 56 56 VAL C C 56 179.400 178.083 1.317 1
1 736 . 4 1 1 A 56 56 VAL CA C 56 66.700 65.522 1.178 1
1 737 . 4 1 1 A 56 56 VAL CB C 56 31.400 31.666 -0.266 1
1 740 . 4 1 1 A 56 56 VAL N N 56 117.900 116.473 1.427 1
1 741 . 4 1 1 A 57 57 VAL H H 57 8.510 7.814 0.696 1
1 742 . 4 1 1 A 57 57 VAL HA H 57 3.760 3.897 -0.137 1
1 750 . 4 1 1 A 57 57 VAL C C 57 177.900 177.154 0.746 1
1 751 . 4 1 1 A 57 57 VAL CA C 57 66.700 64.853 1.847 1
1 752 . 4 1 1 A 57 57 VAL CB C 57 31.400 31.595 -0.195 1
1 755 . 4 1 1 A 57 57 VAL N N 57 121.600 122.182 -0.582 1
1 756 . 4 1 1 A 58 58 ASP H H 58 8.800 8.033 0.767 1
1 757 . 4 1 1 A 58 58 ASP HA H 58 4.420 4.449 -0.029 1
1 760 . 4 1 1 A 58 58 ASP C C 58 178.500 178.770 -0.270 1
1 761 . 4 1 1 A 58 58 ASP CA C 58 57.800 57.491 0.309 1
1 762 . 4 1 1 A 58 58 ASP CB C 58 40.000 41.277 -1.277 1
1 763 . 4 1 1 A 58 58 ASP N N 58 124.800 121.711 3.089 1
1 764 . 4 1 1 A 59 59 ASN H H 59 8.500 8.543 -0.043 1
1 765 . 4 1 1 A 59 59 ASN HA H 59 4.460 4.436 0.024 1
1 770 . 4 1 1 A 59 59 ASN C C 59 177.700 177.921 -0.221 1
1 771 . 4 1 1 A 59 59 ASN CA C 59 56.500 56.456 0.044 1
1 772 . 4 1 1 A 59 59 ASN CB C 59 38.300 38.064 0.236 1
1 774 . 4 1 1 A 59 59 ASN N N 59 118.800 118.195 0.605 1
1 776 . 4 1 1 A 60 60 PHE H H 60 8.540 8.361 0.179 1
1 777 . 4 1 1 A 60 60 PHE HA H 60 4.210 4.113 0.097 1
1 785 . 4 1 1 A 60 60 PHE C C 60 177.700 177.622 0.078 1
1 786 . 4 1 1 A 60 60 PHE CA C 60 61.600 61.770 -0.170 1
1 787 . 4 1 1 A 60 60 PHE CB C 60 39.800 39.253 0.547 1
1 793 . 4 1 1 A 60 60 PHE N N 60 121.800 122.311 -0.511 1
1 794 . 4 1 1 A 61 61 THR H H 61 8.820 8.284 0.536 1
1 795 . 4 1 1 A 61 61 THR HA H 61 3.820 3.982 -0.162 1
1 801 . 4 1 1 A 61 61 THR C C 61 176.700 176.654 0.046 1
1 802 . 4 1 1 A 61 61 THR CA C 61 66.200 66.148 0.052 1
1 803 . 4 1 1 A 61 61 THR CB C 61 68.400 68.555 -0.155 1
1 805 . 4 1 1 A 61 61 THR N N 61 112.200 111.726 0.474 1
1 806 . 4 1 1 A 62 62 LYS H H 62 8.190 8.280 -0.090 1
1 807 . 4 1 1 A 62 62 LYS HA H 62 4.010 3.950 0.060 1
1 816 . 4 1 1 A 62 62 LYS C C 62 179.100 178.486 0.614 1
1 817 . 4 1 1 A 62 62 LYS CA C 62 60.100 59.364 0.736 1
1 818 . 4 1 1 A 62 62 LYS CB C 62 32.500 32.352 0.148 1
1 822 . 4 1 1 A 62 62 LYS N N 62 124.000 121.974 2.026 1
1 823 . 4 1 1 A 63 63 ALA H H 63 7.800 8.269 -0.469 1
1 824 . 4 1 1 A 63 63 ALA HA H 63 4.070 4.067 0.003 1
1 828 . 4 1 1 A 63 63 ALA C C 63 180.400 180.158 0.242 1
1 829 . 4 1 1 A 63 63 ALA CA C 63 54.700 54.943 -0.243 1
1 830 . 4 1 1 A 63 63 ALA CB C 63 17.800 18.216 -0.416 1
1 831 . 4 1 1 A 63 63 ALA N N 63 121.500 120.779 0.721 1
1 832 . 4 1 1 A 64 64 LEU H H 64 7.850 7.965 -0.115 1
1 833 . 4 1 1 A 64 64 LEU HA H 64 3.900 3.738 0.162 1
1 843 . 4 1 1 A 64 64 LEU C C 64 178.600 179.035 -0.435 1
1 844 . 4 1 1 A 64 64 LEU CA C 64 57.300 58.106 -0.806 1
1 845 . 4 1 1 A 64 64 LEU CB C 64 41.900 41.615 0.285 1
1 849 . 4 1 1 A 64 64 LEU N N 64 120.100 118.453 1.647 1
1 850 . 4 1 1 A 65 65 LYS H H 65 7.970 7.918 0.052 1
1 851 . 4 1 1 A 65 65 LYS HA H 65 3.730 3.780 -0.050 1
1 860 . 4 1 1 A 65 65 LYS C C 65 178.300 179.825 -1.525 1
1 861 . 4 1 1 A 65 65 LYS CA C 65 60.400 60.291 0.109 1
1 862 . 4 1 1 A 65 65 LYS CB C 65 31.900 31.961 -0.061 1
1 866 . 4 1 1 A 65 65 LYS N N 65 118.100 117.359 0.741 1
1 867 . 4 1 1 A 66 66 GLN H H 66 7.820 7.797 0.023 1
1 868 . 4 1 1 A 66 66 GLN HA H 66 3.950 4.051 -0.101 1
1 875 . 4 1 1 A 66 66 GLN C C 66 178.000 178.766 -0.766 1
1 876 . 4 1 1 A 66 66 GLN CA C 66 58.700 58.908 -0.208 1
1 877 . 4 1 1 A 66 66 GLN CB C 66 28.200 28.442 -0.242 1
1 880 . 4 1 1 A 66 66 GLN N N 66 116.800 118.758 -1.958 1
1 882 . 4 1 1 A 67 67 SER H H 67 8.060 8.104 -0.044 1
1 883 . 4 1 1 A 67 67 SER HA H 67 4.150 4.258 -0.108 1
1 886 . 4 1 1 A 67 67 SER C C 67 176.900 177.354 -0.454 1
1 887 . 4 1 1 A 67 67 SER CA C 67 61.500 61.271 0.229 1
1 888 . 4 1 1 A 67 67 SER CB C 67 63.000 62.804 0.196 1
1 889 . 4 1 1 A 67 67 SER N N 67 114.200 115.317 -1.117 1
1 890 . 4 1 1 A 68 68 VAL H H 68 7.860 8.241 -0.381 1
1 891 . 4 1 1 A 68 68 VAL HA H 68 3.850 3.608 0.242 1
1 899 . 4 1 1 A 68 68 VAL C C 68 177.600 178.028 -0.428 1
1 900 . 4 1 1 A 68 68 VAL CA C 68 64.900 66.848 -1.948 1
1 901 . 4 1 1 A 68 68 VAL CB C 68 32.000 31.696 0.304 1
1 904 . 4 1 1 A 68 68 VAL N N 68 119.300 121.480 -2.180 1
1 905 . 4 1 1 A 69 69 LEU H H 69 7.880 8.115 -0.235 1
1 906 . 4 1 1 A 69 69 LEU HA H 69 4.150 3.920 0.230 1
1 916 . 4 1 1 A 69 69 LEU C C 69 178.400 177.370 1.030 1
1 917 . 4 1 1 A 69 69 LEU CA C 69 56.500 58.044 -1.544 1
1 918 . 4 1 1 A 69 69 LEU CB C 69 41.800 41.140 0.660 1
1 922 . 4 1 1 A 69 69 LEU N N 69 119.800 118.686 1.114 1
1 923 . 4 1 1 A 70 70 GLU H H 70 7.820 8.089 -0.269 1
1 924 . 4 1 1 A 70 70 GLU HA H 70 4.130 3.903 0.227 1
1 929 . 4 1 1 A 70 70 GLU C C 70 176.700 177.374 -0.674 1
1 930 . 4 1 1 A 70 70 GLU CA C 70 56.900 57.302 -0.402 1
1 931 . 4 1 1 A 70 70 GLU CB C 70 29.800 29.387 0.413 1
1 933 . 4 1 1 A 70 70 GLU N N 70 118.000 118.187 -0.187 1
1 934 . 4 1 1 A 71 71 HIS H H 71 7.950 7.787 0.163 1
1 935 . 4 1 1 A 71 71 HIS HA H 71 4.460 4.319 0.141 1
1 938 . 4 1 1 A 71 71 HIS C C 71 174.700 174.535 0.165 1
1 939 . 4 1 1 A 71 71 HIS CA C 71 56.300 57.684 -1.384 1
1 940 . 4 1 1 A 71 71 HIS CB C 71 28.800 30.342 -1.542 1
1 941 . 4 1 1 A 71 71 HIS N N 71 117.800 119.267 -1.467 1
1 942 . 4 1 1 A 72 72 HIS H H 72 8.260 6.872 1.388 1
1 943 . 4 1 1 A 72 72 HIS HA H 72 4.590 4.853 -0.263 1
1 946 . 4 1 1 A 72 72 HIS C C 72 174.500 173.611 0.889 1
1 947 . 4 1 1 A 72 72 HIS CA C 72 55.700 53.740 1.960 1
1 948 . 4 1 1 A 72 72 HIS CB C 72 29.600 31.626 -2.026 1
1 949 . 4 1 1 A 72 72 HIS N N 72 119.100 114.127 4.973 1
1 950 . 4 1 1 A 73 73 HIS H H 73 8.420 9.047 -0.627 1
1 951 . 4 1 1 A 73 73 HIS HA H 73 4.580 4.778 -0.198 1
1 954 . 4 1 1 A 73 73 HIS C C 73 174.400 174.971 -0.571 1
1 955 . 4 1 1 A 73 73 HIS CA C 73 55.500 54.948 0.552 1
1 956 . 4 1 1 A 73 73 HIS CB C 73 29.600 30.678 -1.078 1
1 957 . 4 1 1 A 73 73 HIS N N 73 119.700 123.792 -4.092 1
1 958 . 4 1 1 A 74 74 HIS H H 74 8.470 8.799 -0.329 1
1 959 . 4 1 1 A 74 74 HIS HA H 74 4.570 4.437 0.133 1
1 962 . 4 1 1 A 74 74 HIS C C 74 173.600 175.737 -2.137 1
1 963 . 4 1 1 A 74 74 HIS CA C 74 55.600 55.958 -0.358 1
1 964 . 4 1 1 A 74 74 HIS CB C 74 29.500 30.018 -0.518 1
1 965 . 4 1 1 A 74 74 HIS N N 74 120.500 122.237 -1.737 1
1 966 . 4 1 1 A 75 75 HIS H H 75 8.290 8.626 -0.336 1
1 967 . 4 1 1 A 75 75 HIS HA H 75 4.400 4.388 0.012 1
1 970 . 4 1 1 A 75 75 HIS CA C 75 57.100 57.061 0.039 1
1 971 . 4 1 1 A 75 75 HIS CB C 75 29.700 29.902 -0.202 1
1 1 . 5 1 1 A 2 2 PRO HA H 2 4.400 4.539 -0.139 1
1 8 . 5 1 1 A 2 2 PRO C C 2 172.300 175.356 -3.056 1
1 9 . 5 1 1 A 2 2 PRO CA C 2 62.200 63.113 -0.913 1
1 10 . 5 1 1 A 2 2 PRO CB C 2 32.600 32.038 0.562 1
1 13 . 5 1 1 A 3 3 ILE H H 3 8.630 8.467 0.163 1
1 14 . 5 1 1 A 3 3 ILE HA H 3 4.190 4.827 -0.637 1
1 24 . 5 1 1 A 3 3 ILE C C 3 176.100 175.953 0.147 1
1 25 . 5 1 1 A 3 3 ILE CA C 3 61.500 58.828 2.672 1
1 26 . 5 1 1 A 3 3 ILE CB C 3 38.600 41.468 -2.868 1
1 30 . 5 1 1 A 3 3 ILE N N 3 120.700 122.972 -2.272 1
1 31 . 5 1 1 A 4 4 VAL H H 4 8.380 8.961 -0.581 1
1 32 . 5 1 1 A 4 4 VAL HA H 4 4.140 3.830 0.310 1
1 40 . 5 1 1 A 4 4 VAL C C 4 175.800 176.427 -0.627 1
1 41 . 5 1 1 A 4 4 VAL CA C 4 62.100 65.849 -3.749 1
1 42 . 5 1 1 A 4 4 VAL CB C 4 32.800 31.803 0.997 1
1 45 . 5 1 1 A 4 4 VAL N N 4 125.500 125.282 0.218 1
1 46 . 5 1 1 A 5 5 SER H H 5 8.450 7.836 0.614 1
1 47 . 5 1 1 A 5 5 SER HA H 5 4.420 3.664 0.756 1
1 50 . 5 1 1 A 5 5 SER C C 5 174.300 173.772 0.528 1
1 51 . 5 1 1 A 5 5 SER CA C 5 57.900 56.840 1.060 1
1 52 . 5 1 1 A 5 5 SER CB C 5 64.000 60.841 3.159 1
1 53 . 5 1 1 A 5 5 SER N N 5 120.500 116.275 4.225 1
1 54 . 5 1 1 A 6 6 LYS H H 6 8.330 8.278 0.052 1
1 55 . 5 1 1 A 6 6 LYS HA H 6 4.150 4.175 -0.025 1
1 64 . 5 1 1 A 6 6 LYS C C 6 176.000 175.743 0.257 1
1 65 . 5 1 1 A 6 6 LYS CA C 6 56.800 57.837 -1.037 1
1 66 . 5 1 1 A 6 6 LYS CB C 6 33.000 32.532 0.468 1
1 70 . 5 1 1 A 6 6 LYS N N 6 123.400 127.023 -3.623 1
1 71 . 5 1 1 A 7 7 TYR H H 7 8.150 6.809 1.341 1
1 72 . 5 1 1 A 7 7 TYR HA H 7 4.640 4.574 0.066 1
1 79 . 5 1 1 A 7 7 TYR C C 7 175.400 175.534 -0.134 1
1 80 . 5 1 1 A 7 7 TYR CA C 7 56.700 57.890 -1.190 1
1 81 . 5 1 1 A 7 7 TYR CB C 7 39.300 39.462 -0.162 1
1 86 . 5 1 1 A 7 7 TYR N N 7 120.000 117.364 2.636 1
1 87 . 5 1 1 A 8 8 SER H H 8 8.360 9.099 -0.739 1
1 88 . 5 1 1 A 8 8 SER HA H 8 4.400 4.806 -0.406 1
1 91 . 5 1 1 A 8 8 SER C C 8 174.700 175.884 -1.184 1
1 92 . 5 1 1 A 8 8 SER CA C 8 57.600 57.410 0.190 1
1 93 . 5 1 1 A 8 8 SER CB C 8 64.000 64.989 -0.989 1
1 94 . 5 1 1 A 8 8 SER N N 8 118.100 115.933 2.167 1
1 95 . 5 1 1 A 9 9 ASN H H 9 8.900 9.169 -0.269 1
1 96 . 5 1 1 A 9 9 ASN HA H 9 4.400 4.444 -0.044 1
1 101 . 5 1 1 A 9 9 ASN C C 9 176.800 177.737 -0.937 1
1 102 . 5 1 1 A 9 9 ASN CA C 9 55.900 55.875 0.025 1
1 103 . 5 1 1 A 9 9 ASN CB C 9 38.300 37.427 0.873 1
1 105 . 5 1 1 A 9 9 ASN N N 9 122.300 120.237 2.063 1
1 107 . 5 1 1 A 10 10 GLU H H 10 8.740 8.165 0.575 1
1 108 . 5 1 1 A 10 10 GLU HA H 10 4.000 4.033 -0.033 1
1 113 . 5 1 1 A 10 10 GLU C C 10 178.500 179.364 -0.864 1
1 114 . 5 1 1 A 10 10 GLU CA C 10 59.900 59.262 0.638 1
1 115 . 5 1 1 A 10 10 GLU CB C 10 29.000 29.756 -0.756 1
1 117 . 5 1 1 A 10 10 GLU N N 10 119.000 120.132 -1.132 1
1 118 . 5 1 1 A 11 11 ARG H H 11 7.750 7.653 0.097 1
1 119 . 5 1 1 A 11 11 ARG HA H 11 4.070 4.126 -0.056 1
1 127 . 5 1 1 A 11 11 ARG C C 11 178.000 178.567 -0.567 1
1 128 . 5 1 1 A 11 11 ARG CA C 11 58.800 58.827 -0.027 1
1 129 . 5 1 1 A 11 11 ARG CB C 11 30.100 29.742 0.358 1
1 132 . 5 1 1 A 11 11 ARG N N 11 121.500 120.532 0.968 1
1 134 . 5 1 1 A 12 12 VAL H H 12 7.830 8.141 -0.311 1
1 135 . 5 1 1 A 12 12 VAL HA H 12 3.420 3.475 -0.055 1
1 143 . 5 1 1 A 12 12 VAL C C 12 177.400 177.666 -0.266 1
1 144 . 5 1 1 A 12 12 VAL CA C 12 67.000 66.975 0.025 1
1 145 . 5 1 1 A 12 12 VAL CB C 12 32.100 31.460 0.640 1
1 148 . 5 1 1 A 12 12 VAL N N 12 118.800 119.710 -0.910 1
1 149 . 5 1 1 A 13 13 GLU H H 13 8.220 8.477 -0.257 1
1 150 . 5 1 1 A 13 13 GLU HA H 13 3.890 3.975 -0.085 1
1 155 . 5 1 1 A 13 13 GLU C C 13 178.900 178.922 -0.022 1
1 156 . 5 1 1 A 13 13 GLU CA C 13 59.500 59.606 -0.106 1
1 157 . 5 1 1 A 13 13 GLU CB C 13 29.000 29.352 -0.352 1
1 159 . 5 1 1 A 13 13 GLU N N 13 116.800 118.629 -1.829 1
1 160 . 5 1 1 A 14 14 LYS H H 14 7.600 7.842 -0.242 1
1 161 . 5 1 1 A 14 14 LYS HA H 14 4.030 4.175 -0.145 1
1 170 . 5 1 1 A 14 14 LYS C C 14 177.700 179.113 -1.413 1
1 171 . 5 1 1 A 14 14 LYS CA C 14 59.100 58.138 0.962 1
1 172 . 5 1 1 A 14 14 LYS CB C 14 32.100 32.418 -0.318 1
1 176 . 5 1 1 A 14 14 LYS N N 14 120.400 118.880 1.520 1
1 177 . 5 1 1 A 15 15 ILE H H 15 7.830 8.246 -0.416 1
1 178 . 5 1 1 A 15 15 ILE HA H 15 3.630 3.654 -0.024 1
1 188 . 5 1 1 A 15 15 ILE C C 15 178.200 178.197 0.003 1
1 189 . 5 1 1 A 15 15 ILE CA C 15 65.700 65.552 0.148 1
1 190 . 5 1 1 A 15 15 ILE CB C 15 37.500 37.670 -0.170 1
1 194 . 5 1 1 A 15 15 ILE N N 15 119.700 120.307 -0.607 1
1 195 . 5 1 1 A 16 16 ILE H H 16 8.080 8.090 -0.010 1
1 196 . 5 1 1 A 16 16 ILE HA H 16 3.360 3.494 -0.134 1
1 206 . 5 1 1 A 16 16 ILE C C 16 177.500 178.120 -0.620 1
1 207 . 5 1 1 A 16 16 ILE CA C 16 66.600 65.419 1.181 1
1 208 . 5 1 1 A 16 16 ILE CB C 16 38.300 37.741 0.559 1
1 212 . 5 1 1 A 16 16 ILE N N 16 117.900 120.738 -2.838 1
1 213 . 5 1 1 A 17 17 GLN H H 17 8.010 8.403 -0.393 1
1 214 . 5 1 1 A 17 17 GLN HA H 17 3.830 3.894 -0.064 1
1 221 . 5 1 1 A 17 17 GLN C C 17 178.000 177.882 0.118 1
1 222 . 5 1 1 A 17 17 GLN CA C 17 58.400 59.451 -1.051 1
1 223 . 5 1 1 A 17 17 GLN CB C 17 28.100 28.198 -0.098 1
1 225 . 5 1 1 A 17 17 GLN N N 17 117.900 120.091 -2.191 1
1 227 . 5 1 1 A 18 18 ASP H H 18 8.710 8.480 0.230 1
1 228 . 5 1 1 A 18 18 ASP HA H 18 4.400 4.347 0.053 1
1 231 . 5 1 1 A 18 18 ASP C C 18 179.800 178.903 0.897 1
1 232 . 5 1 1 A 18 18 ASP CA C 18 57.400 57.813 -0.413 1
1 233 . 5 1 1 A 18 18 ASP CB C 18 39.900 41.787 -1.887 1
1 234 . 5 1 1 A 18 18 ASP N N 18 121.000 120.290 0.710 1
1 235 . 5 1 1 A 19 19 LEU H H 19 8.260 8.088 0.172 1
1 236 . 5 1 1 A 19 19 LEU HA H 19 4.010 3.976 0.034 1
1 246 . 5 1 1 A 19 19 LEU C C 19 178.200 179.243 -1.043 1
1 247 . 5 1 1 A 19 19 LEU CA C 19 58.100 58.008 0.092 1
1 248 . 5 1 1 A 19 19 LEU CB C 19 42.400 41.799 0.601 1
1 252 . 5 1 1 A 19 19 LEU N N 19 120.800 120.000 0.800 1
1 253 . 5 1 1 A 20 20 LEU H H 20 8.160 8.421 -0.261 1
1 254 . 5 1 1 A 20 20 LEU HA H 20 3.940 3.924 0.016 1
1 264 . 5 1 1 A 20 20 LEU C C 20 180.100 178.887 1.213 1
1 265 . 5 1 1 A 20 20 LEU CA C 20 57.900 57.787 0.113 1
1 266 . 5 1 1 A 20 20 LEU CB C 20 40.800 40.976 -0.176 1
1 270 . 5 1 1 A 20 20 LEU N N 20 117.300 118.445 -1.145 1
1 271 . 5 1 1 A 21 21 ASP H H 21 9.000 8.661 0.339 1
1 272 . 5 1 1 A 21 21 ASP HA H 21 4.420 4.296 0.124 1
1 275 . 5 1 1 A 21 21 ASP C C 21 179.000 178.720 0.280 1
1 276 . 5 1 1 A 21 21 ASP CA C 21 57.300 57.795 -0.495 1
1 277 . 5 1 1 A 21 21 ASP CB C 21 40.500 40.924 -0.424 1
1 278 . 5 1 1 A 21 21 ASP N N 21 120.000 119.837 0.163 1
1 279 . 5 1 1 A 22 22 VAL H H 22 7.370 7.714 -0.344 1
1 280 . 5 1 1 A 22 22 VAL HA H 22 3.600 3.548 0.052 1
1 288 . 5 1 1 A 22 22 VAL C C 22 177.700 178.217 -0.517 1
1 289 . 5 1 1 A 22 22 VAL CA C 22 66.300 66.651 -0.351 1
1 290 . 5 1 1 A 22 22 VAL CB C 22 32.000 31.374 0.626 1
1 293 . 5 1 1 A 22 22 VAL N N 22 119.800 119.745 0.055 1
1 294 . 5 1 1 A 23 23 LEU H H 23 6.880 7.988 -1.108 1
1 295 . 5 1 1 A 23 23 LEU HA H 23 3.880 3.919 -0.039 1
1 305 . 5 1 1 A 23 23 LEU C C 23 179.100 179.158 -0.058 1
1 306 . 5 1 1 A 23 23 LEU CA C 23 57.100 58.240 -1.140 1
1 307 . 5 1 1 A 23 23 LEU CB C 23 40.600 41.739 -1.139 1
1 311 . 5 1 1 A 23 23 LEU N N 23 116.500 119.231 -2.731 1
1 312 . 5 1 1 A 24 24 VAL H H 24 8.430 8.438 -0.008 1
1 313 . 5 1 1 A 24 24 VAL HA H 24 3.780 3.634 0.146 1
1 321 . 5 1 1 A 24 24 VAL C C 24 180.800 177.802 2.998 1
1 322 . 5 1 1 A 24 24 VAL CA C 24 65.900 66.924 -1.024 1
1 323 . 5 1 1 A 24 24 VAL CB C 24 32.200 31.443 0.757 1
1 326 . 5 1 1 A 24 24 VAL N N 24 120.300 119.603 0.697 1
1 327 . 5 1 1 A 25 25 LYS H H 25 8.380 8.347 0.033 1
1 328 . 5 1 1 A 25 25 LYS HA H 25 4.030 3.976 0.054 1
1 337 . 5 1 1 A 25 25 LYS C C 25 178.500 179.007 -0.507 1
1 338 . 5 1 1 A 25 25 LYS CA C 25 59.400 59.456 -0.056 1
1 339 . 5 1 1 A 25 25 LYS CB C 25 32.300 32.400 -0.100 1
1 343 . 5 1 1 A 25 25 LYS N N 25 121.900 119.944 1.956 1
1 344 . 5 1 1 A 26 26 GLU H H 26 7.360 7.938 -0.578 1
1 345 . 5 1 1 A 26 26 GLU HA H 26 4.330 4.354 -0.024 1
1 350 . 5 1 1 A 26 26 GLU C C 26 175.000 175.911 -0.911 1
1 351 . 5 1 1 A 26 26 GLU CA C 26 56.000 56.487 -0.487 1
1 352 . 5 1 1 A 26 26 GLU CB C 26 29.800 30.104 -0.304 1
1 354 . 5 1 1 A 26 26 GLU N N 26 115.000 116.108 -1.108 1
1 355 . 5 1 1 A 27 27 GLU H H 27 7.980 7.989 -0.009 1
1 356 . 5 1 1 A 27 27 GLU HA H 27 3.950 3.827 0.123 1
1 361 . 5 1 1 A 27 27 GLU C C 27 175.900 175.178 0.722 1
1 362 . 5 1 1 A 27 27 GLU CA C 27 56.900 57.375 -0.475 1
1 363 . 5 1 1 A 27 27 GLU CB C 27 27.100 27.188 -0.088 1
1 365 . 5 1 1 A 27 27 GLU N N 27 116.300 117.004 -0.704 1
1 366 . 5 1 1 A 28 28 VAL H H 28 7.370 7.622 -0.252 1
1 367 . 5 1 1 A 28 28 VAL HA H 28 4.200 4.165 0.035 1
1 375 . 5 1 1 A 28 28 VAL C C 28 176.700 175.888 0.812 1
1 376 . 5 1 1 A 28 28 VAL CA C 28 61.600 61.920 -0.320 1
1 377 . 5 1 1 A 28 28 VAL CB C 28 32.600 32.597 0.003 1
1 380 . 5 1 1 A 28 28 VAL N N 28 112.200 115.629 -3.429 1
1 381 . 5 1 1 A 29 29 THR H H 29 7.400 8.731 -1.331 1
1 382 . 5 1 1 A 29 29 THR HA H 29 4.640 4.805 -0.165 1
1 387 . 5 1 1 A 29 29 THR CA C 29 59.900 60.308 -0.408 1
1 388 . 5 1 1 A 29 29 THR CB C 29 67.900 68.843 -0.943 1
1 390 . 5 1 1 A 29 29 THR N N 29 113.900 115.402 -1.502 1
1 391 . 5 1 1 A 30 30 PRO HA H 30 4.130 4.221 -0.091 1
1 398 . 5 1 1 A 30 30 PRO C C 30 177.600 177.837 -0.237 1
1 399 . 5 1 1 A 30 30 PRO CA C 30 66.300 65.818 0.482 1
1 400 . 5 1 1 A 30 30 PRO CB C 30 31.500 31.705 -0.205 1
1 403 . 5 1 1 A 31 31 ASP H H 31 8.390 8.753 -0.363 1
1 404 . 5 1 1 A 31 31 ASP HA H 31 4.240 4.391 -0.151 1
1 407 . 5 1 1 A 31 31 ASP C C 31 178.900 179.011 -0.111 1
1 408 . 5 1 1 A 31 31 ASP CA C 31 57.000 56.539 0.461 1
1 409 . 5 1 1 A 31 31 ASP CB C 31 40.000 39.563 0.437 1
1 410 . 5 1 1 A 31 31 ASP N N 31 113.200 116.978 -3.778 1
1 411 . 5 1 1 A 32 32 LEU H H 32 7.460 7.517 -0.057 1
1 412 . 5 1 1 A 32 32 LEU HA H 32 4.190 4.074 0.116 1
1 422 . 5 1 1 A 32 32 LEU C C 32 178.900 178.398 0.502 1
1 423 . 5 1 1 A 32 32 LEU CA C 32 57.000 57.664 -0.664 1
1 424 . 5 1 1 A 32 32 LEU CB C 32 41.300 41.461 -0.161 1
1 428 . 5 1 1 A 32 32 LEU N N 32 123.000 122.822 0.178 1
1 429 . 5 1 1 A 33 33 ALA H H 33 8.930 8.632 0.298 1
1 430 . 5 1 1 A 33 33 ALA HA H 33 3.730 4.111 -0.381 1
1 434 . 5 1 1 A 33 33 ALA C C 33 179.800 179.933 -0.133 1
1 435 . 5 1 1 A 33 33 ALA CA C 33 55.900 55.235 0.665 1
1 436 . 5 1 1 A 33 33 ALA CB C 33 19.100 18.189 0.911 1
1 437 . 5 1 1 A 33 33 ALA N N 33 122.700 120.770 1.930 1
1 438 . 5 1 1 A 34 34 LEU H H 34 8.420 8.022 0.398 1
1 439 . 5 1 1 A 34 34 LEU HA H 34 4.010 3.906 0.104 1
1 449 . 5 1 1 A 34 34 LEU C C 34 179.700 178.531 1.169 1
1 450 . 5 1 1 A 34 34 LEU CA C 34 58.200 58.136 0.064 1
1 451 . 5 1 1 A 34 34 LEU CB C 34 41.200 41.901 -0.701 1
1 455 . 5 1 1 A 34 34 LEU N N 34 115.800 118.588 -2.788 1
1 456 . 5 1 1 A 35 35 MET H H 35 7.730 8.345 -0.615 1
1 457 . 5 1 1 A 35 35 MET HA H 35 4.240 4.120 0.120 1
1 465 . 5 1 1 A 35 35 MET C C 35 179.500 178.200 1.300 1
1 466 . 5 1 1 A 35 35 MET CA C 35 59.300 58.645 0.655 1
1 467 . 5 1 1 A 35 35 MET CB C 35 32.900 31.954 0.946 1
1 470 . 5 1 1 A 35 35 MET N N 35 121.400 118.206 3.194 1
1 471 . 5 1 1 A 36 36 CYS H H 36 8.420 8.303 0.117 1
1 472 . 5 1 1 A 36 36 CYS HA H 36 3.950 4.157 -0.207 1
1 475 . 5 1 1 A 36 36 CYS C C 36 177.000 177.193 -0.193 1
1 476 . 5 1 1 A 36 36 CYS CA C 36 64.200 63.525 0.675 1
1 477 . 5 1 1 A 36 36 CYS CB C 36 27.200 28.018 -0.818 1
1 478 . 5 1 1 A 36 36 CYS N N 36 118.600 117.722 0.878 1
1 479 . 5 1 1 A 37 37 LEU H H 37 9.020 8.559 0.461 1
1 480 . 5 1 1 A 37 37 LEU HA H 37 3.940 3.997 -0.057 1
1 490 . 5 1 1 A 37 37 LEU C C 37 179.100 179.321 -0.221 1
1 491 . 5 1 1 A 37 37 LEU CA C 37 58.300 58.538 -0.238 1
1 492 . 5 1 1 A 37 37 LEU CB C 37 42.200 41.894 0.306 1
1 496 . 5 1 1 A 37 37 LEU N N 37 119.600 120.991 -1.391 1
1 497 . 5 1 1 A 38 38 GLY H H 38 8.940 8.534 0.406 1
1 498 . 5 1 1 A 38 38 GLY HA2 H 38 3.610 3.767 -0.157 1
1 499 . 5 1 1 A 38 38 GLY HA3 H 38 3.970 3.781 0.189 1
1 500 . 5 1 1 A 38 38 GLY C C 38 179.800 175.801 3.999 1
1 501 . 5 1 1 A 38 38 GLY CA C 38 47.900 47.136 0.764 1
1 502 . 5 1 1 A 38 38 GLY N N 38 106.600 105.175 1.425 1
1 503 . 5 1 1 A 39 39 ASN H H 39 7.790 7.921 -0.131 1
1 504 . 5 1 1 A 39 39 ASN HA H 39 4.440 4.427 0.013 1
1 509 . 5 1 1 A 39 39 ASN C C 39 178.000 177.391 0.609 1
1 510 . 5 1 1 A 39 39 ASN CA C 39 56.300 56.450 -0.150 1
1 511 . 5 1 1 A 39 39 ASN CB C 39 39.500 38.991 0.509 1
1 513 . 5 1 1 A 39 39 ASN N N 39 120.900 119.834 1.066 1
1 515 . 5 1 1 A 40 40 ALA H H 40 8.260 7.698 0.562 1
1 516 . 5 1 1 A 40 40 ALA HA H 40 3.970 4.013 -0.043 1
1 520 . 5 1 1 A 40 40 ALA C C 40 178.200 180.330 -2.130 1
1 521 . 5 1 1 A 40 40 ALA CA C 40 55.900 55.231 0.669 1
1 522 . 5 1 1 A 40 40 ALA CB C 40 17.200 18.244 -1.044 1
1 523 . 5 1 1 A 40 40 ALA N N 40 123.900 121.796 2.104 1
1 524 . 5 1 1 A 41 41 VAL H H 41 8.410 7.911 0.499 1
1 525 . 5 1 1 A 41 41 VAL HA H 41 3.180 3.310 -0.130 1
1 533 . 5 1 1 A 41 41 VAL C C 41 177.800 178.179 -0.379 1
1 534 . 5 1 1 A 41 41 VAL CA C 41 67.000 67.126 -0.126 1
1 535 . 5 1 1 A 41 41 VAL CB C 41 30.900 31.397 -0.497 1
1 538 . 5 1 1 A 41 41 VAL N N 41 116.900 119.114 -2.214 1
1 539 . 5 1 1 A 42 42 THR H H 42 8.210 7.548 0.662 1
1 540 . 5 1 1 A 42 42 THR HA H 42 3.430 3.958 -0.528 1
1 545 . 5 1 1 A 42 42 THR C C 42 175.900 176.319 -0.419 1
1 546 . 5 1 1 A 42 42 THR CA C 42 67.500 64.335 3.165 1
1 547 . 5 1 1 A 42 42 THR CB C 42 68.000 68.907 -0.907 1
1 549 . 5 1 1 A 42 42 THR N N 42 114.800 113.658 1.142 1
1 550 . 5 1 1 A 43 43 ASN H H 43 7.600 7.668 -0.068 1
1 551 . 5 1 1 A 43 43 ASN HA H 43 4.170 4.539 -0.369 1
1 556 . 5 1 1 A 43 43 ASN C C 43 177.300 178.262 -0.962 1
1 557 . 5 1 1 A 43 43 ASN CA C 43 57.000 56.196 0.804 1
1 558 . 5 1 1 A 43 43 ASN CB C 43 39.400 38.651 0.749 1
1 560 . 5 1 1 A 43 43 ASN N N 43 120.300 118.959 1.341 1
1 562 . 5 1 1 A 44 44 ILE H H 44 7.630 7.520 0.110 1
1 563 . 5 1 1 A 44 44 ILE HA H 44 3.770 3.692 0.078 1
1 573 . 5 1 1 A 44 44 ILE C C 44 179.200 178.187 1.013 1
1 574 . 5 1 1 A 44 44 ILE CA C 44 62.100 64.567 -2.467 1
1 575 . 5 1 1 A 44 44 ILE CB C 44 35.700 37.356 -1.656 1
1 579 . 5 1 1 A 44 44 ILE N N 44 119.700 120.285 -0.585 1
1 580 . 5 1 1 A 45 45 ILE H H 45 8.460 8.009 0.451 1
1 581 . 5 1 1 A 45 45 ILE HA H 45 3.550 3.716 -0.166 1
1 591 . 5 1 1 A 45 45 ILE C C 45 177.100 176.789 0.311 1
1 592 . 5 1 1 A 45 45 ILE CA C 45 65.100 65.227 -0.127 1
1 593 . 5 1 1 A 45 45 ILE CB C 45 36.600 37.182 -0.582 1
1 597 . 5 1 1 A 45 45 ILE N N 45 120.300 120.859 -0.559 1
1 598 . 5 1 1 A 46 46 ALA H H 46 7.750 7.702 0.048 1
1 599 . 5 1 1 A 46 46 ALA HA H 46 3.950 4.211 -0.261 1
1 603 . 5 1 1 A 46 46 ALA C C 46 178.000 177.984 0.016 1
1 604 . 5 1 1 A 46 46 ALA CA C 46 54.000 53.615 0.385 1
1 605 . 5 1 1 A 46 46 ALA CB C 46 17.900 18.315 -0.415 1
1 606 . 5 1 1 A 46 46 ALA N N 46 120.000 122.322 -2.322 1
1 607 . 5 1 1 A 47 47 GLN H H 47 7.610 7.697 -0.087 1
1 608 . 5 1 1 A 47 47 GLN HA H 47 4.190 4.323 -0.133 1
1 615 . 5 1 1 A 47 47 GLN C C 47 177.100 175.665 1.435 1
1 616 . 5 1 1 A 47 47 GLN CA C 47 56.000 56.600 -0.600 1
1 617 . 5 1 1 A 47 47 GLN CB C 47 29.000 29.910 -0.910 1
1 620 . 5 1 1 A 47 47 GLN N N 47 114.000 115.460 -1.460 1
1 622 . 5 1 1 A 48 48 VAL H H 48 7.740 7.301 0.439 1
1 623 . 5 1 1 A 48 48 VAL HA H 48 4.390 4.367 0.023 1
1 631 . 5 1 1 A 48 48 VAL CA C 48 59.900 59.765 0.135 1
1 632 . 5 1 1 A 48 48 VAL CB C 48 31.900 32.756 -0.856 1
1 635 . 5 1 1 A 48 48 VAL N N 48 122.400 116.054 6.346 1
1 636 . 5 1 1 A 49 49 PRO HA H 49 4.340 4.561 -0.221 1
1 643 . 5 1 1 A 49 49 PRO C C 49 177.700 177.582 0.118 1
1 644 . 5 1 1 A 49 49 PRO CA C 49 63.700 62.770 0.930 1
1 645 . 5 1 1 A 49 49 PRO CB C 49 32.300 32.657 -0.357 1
1 648 . 5 1 1 A 50 50 GLU H H 50 8.960 8.661 0.299 1
1 649 . 5 1 1 A 50 50 GLU HA H 50 3.580 3.972 -0.392 1
1 654 . 5 1 1 A 50 50 GLU C C 50 178.300 178.939 -0.639 1
1 655 . 5 1 1 A 50 50 GLU CA C 50 60.800 59.578 1.222 1
1 656 . 5 1 1 A 50 50 GLU CB C 50 29.900 29.393 0.507 1
1 658 . 5 1 1 A 50 50 GLU N N 50 124.400 122.887 1.513 1
1 659 . 5 1 1 A 51 51 SER H H 51 8.640 8.315 0.325 1
1 660 . 5 1 1 A 51 51 SER HA H 51 4.240 4.115 0.125 1
1 663 . 5 1 1 A 51 51 SER C C 51 175.200 175.049 0.151 1
1 664 . 5 1 1 A 51 51 SER CA C 51 60.600 61.334 -0.734 1
1 665 . 5 1 1 A 51 51 SER CB C 51 62.600 63.077 -0.477 1
1 666 . 5 1 1 A 51 51 SER N N 51 112.000 115.743 -3.743 1
1 667 . 5 1 1 A 52 52 LYS H H 52 7.950 8.056 -0.106 1
1 668 . 5 1 1 A 52 52 LYS HA H 52 4.650 4.544 0.106 1
1 677 . 5 1 1 A 52 52 LYS C C 52 176.700 177.547 -0.847 1
1 678 . 5 1 1 A 52 52 LYS CA C 52 55.500 56.518 -1.018 1
1 679 . 5 1 1 A 52 52 LYS CB C 52 34.000 32.987 1.013 1
1 683 . 5 1 1 A 52 52 LYS N N 52 119.600 117.951 1.649 1
1 684 . 5 1 1 A 53 53 ARG H H 53 7.290 7.517 -0.227 1
1 685 . 5 1 1 A 53 53 ARG HA H 53 3.530 4.062 -0.532 1
1 695 . 5 1 1 A 53 53 ARG C C 53 177.300 178.997 -1.697 1
1 696 . 5 1 1 A 53 53 ARG CA C 53 61.700 59.437 2.263 1
1 697 . 5 1 1 A 53 53 ARG CB C 53 30.800 30.042 0.758 1
1 700 . 5 1 1 A 53 53 ARG N N 53 119.000 119.416 -0.416 1
1 702 . 5 1 1 A 54 54 VAL H H 54 8.440 8.110 0.330 1
1 703 . 5 1 1 A 54 54 VAL HA H 54 3.460 3.619 -0.159 1
1 711 . 5 1 1 A 54 54 VAL C C 54 177.400 177.835 -0.435 1
1 712 . 5 1 1 A 54 54 VAL CA C 54 67.200 66.160 1.040 1
1 713 . 5 1 1 A 54 54 VAL CB C 54 31.000 31.338 -0.338 1
1 716 . 5 1 1 A 54 54 VAL N N 54 118.400 119.655 -1.255 1
1 717 . 5 1 1 A 55 55 ALA H H 55 8.120 8.019 0.101 1
1 718 . 5 1 1 A 55 55 ALA HA H 55 4.180 4.065 0.115 1
1 722 . 5 1 1 A 55 55 ALA C C 55 180.700 179.741 0.959 1
1 723 . 5 1 1 A 55 55 ALA CA C 55 55.000 55.273 -0.273 1
1 724 . 5 1 1 A 55 55 ALA CB C 55 17.900 18.330 -0.430 1
1 725 . 5 1 1 A 55 55 ALA N N 55 122.300 122.543 -0.243 1
1 726 . 5 1 1 A 56 56 VAL H H 56 8.040 8.419 -0.379 1
1 727 . 5 1 1 A 56 56 VAL HA H 56 3.780 3.792 -0.012 1
1 735 . 5 1 1 A 56 56 VAL C C 56 179.400 178.100 1.300 1
1 736 . 5 1 1 A 56 56 VAL CA C 56 66.700 65.466 1.234 1
1 737 . 5 1 1 A 56 56 VAL CB C 56 31.400 31.588 -0.188 1
1 740 . 5 1 1 A 56 56 VAL N N 56 117.900 116.460 1.440 1
1 741 . 5 1 1 A 57 57 VAL H H 57 8.510 7.508 1.002 1
1 742 . 5 1 1 A 57 57 VAL HA H 57 3.760 3.812 -0.052 1
1 750 . 5 1 1 A 57 57 VAL C C 57 177.900 177.415 0.485 1
1 751 . 5 1 1 A 57 57 VAL CA C 57 66.700 65.493 1.207 1
1 752 . 5 1 1 A 57 57 VAL CB C 57 31.400 31.556 -0.156 1
1 755 . 5 1 1 A 57 57 VAL N N 57 121.600 122.537 -0.937 1
1 756 . 5 1 1 A 58 58 ASP H H 58 8.800 8.088 0.712 1
1 757 . 5 1 1 A 58 58 ASP HA H 58 4.420 4.469 -0.049 1
1 760 . 5 1 1 A 58 58 ASP C C 58 178.500 178.590 -0.090 1
1 761 . 5 1 1 A 58 58 ASP CA C 58 57.800 57.713 0.087 1
1 762 . 5 1 1 A 58 58 ASP CB C 58 40.000 40.974 -0.974 1
1 763 . 5 1 1 A 58 58 ASP N N 58 124.800 121.393 3.407 1
1 764 . 5 1 1 A 59 59 ASN H H 59 8.500 8.234 0.266 1
1 765 . 5 1 1 A 59 59 ASN HA H 59 4.460 4.558 -0.098 1
1 770 . 5 1 1 A 59 59 ASN C C 59 177.700 177.610 0.090 1
1 771 . 5 1 1 A 59 59 ASN CA C 59 56.500 56.223 0.277 1
1 772 . 5 1 1 A 59 59 ASN CB C 59 38.300 38.518 -0.218 1
1 774 . 5 1 1 A 59 59 ASN N N 59 118.800 116.598 2.202 1
1 776 . 5 1 1 A 60 60 PHE H H 60 8.540 8.070 0.470 1
1 777 . 5 1 1 A 60 60 PHE HA H 60 4.210 4.145 0.065 1
1 785 . 5 1 1 A 60 60 PHE C C 60 177.700 177.444 0.256 1
1 786 . 5 1 1 A 60 60 PHE CA C 60 61.600 61.564 0.036 1
1 787 . 5 1 1 A 60 60 PHE CB C 60 39.800 39.044 0.756 1
1 793 . 5 1 1 A 60 60 PHE N N 60 121.800 123.078 -1.278 1
1 794 . 5 1 1 A 61 61 THR H H 61 8.820 8.672 0.148 1
1 795 . 5 1 1 A 61 61 THR HA H 61 3.820 4.029 -0.209 1
1 801 . 5 1 1 A 61 61 THR C C 61 176.700 176.673 0.027 1
1 802 . 5 1 1 A 61 61 THR CA C 61 66.200 66.302 -0.102 1
1 803 . 5 1 1 A 61 61 THR CB C 61 68.400 68.653 -0.253 1
1 805 . 5 1 1 A 61 61 THR N N 61 112.200 111.207 0.993 1
1 806 . 5 1 1 A 62 62 LYS H H 62 8.190 8.333 -0.143 1
1 807 . 5 1 1 A 62 62 LYS HA H 62 4.010 3.922 0.088 1
1 816 . 5 1 1 A 62 62 LYS C C 62 179.100 178.749 0.351 1
1 817 . 5 1 1 A 62 62 LYS CA C 62 60.100 59.362 0.738 1
1 818 . 5 1 1 A 62 62 LYS CB C 62 32.500 32.391 0.109 1
1 822 . 5 1 1 A 62 62 LYS N N 62 124.000 122.004 1.996 1
1 823 . 5 1 1 A 63 63 ALA H H 63 7.800 8.132 -0.332 1
1 824 . 5 1 1 A 63 63 ALA HA H 63 4.070 4.044 0.026 1
1 828 . 5 1 1 A 63 63 ALA C C 63 180.400 180.010 0.390 1
1 829 . 5 1 1 A 63 63 ALA CA C 63 54.700 54.915 -0.215 1
1 830 . 5 1 1 A 63 63 ALA CB C 63 17.800 18.256 -0.456 1
1 831 . 5 1 1 A 63 63 ALA N N 63 121.500 120.485 1.015 1
1 832 . 5 1 1 A 64 64 LEU H H 64 7.850 8.181 -0.331 1
1 833 . 5 1 1 A 64 64 LEU HA H 64 3.900 3.752 0.148 1
1 843 . 5 1 1 A 64 64 LEU C C 64 178.600 178.859 -0.259 1
1 844 . 5 1 1 A 64 64 LEU CA C 64 57.300 58.086 -0.786 1
1 845 . 5 1 1 A 64 64 LEU CB C 64 41.900 41.762 0.138 1
1 849 . 5 1 1 A 64 64 LEU N N 64 120.100 118.939 1.161 1
1 850 . 5 1 1 A 65 65 LYS H H 65 7.970 7.782 0.188 1
1 851 . 5 1 1 A 65 65 LYS HA H 65 3.730 4.004 -0.274 1
1 860 . 5 1 1 A 65 65 LYS C C 65 178.300 179.411 -1.111 1
1 861 . 5 1 1 A 65 65 LYS CA C 65 60.400 59.822 0.578 1
1 862 . 5 1 1 A 65 65 LYS CB C 65 31.900 31.998 -0.098 1
1 866 . 5 1 1 A 65 65 LYS N N 65 118.100 117.277 0.823 1
1 867 . 5 1 1 A 66 66 GLN H H 66 7.820 8.034 -0.214 1
1 868 . 5 1 1 A 66 66 GLN HA H 66 3.950 4.110 -0.160 1
1 875 . 5 1 1 A 66 66 GLN C C 66 178.000 177.792 0.208 1
1 876 . 5 1 1 A 66 66 GLN CA C 66 58.700 58.807 -0.107 1
1 877 . 5 1 1 A 66 66 GLN CB C 66 28.200 28.105 0.095 1
1 880 . 5 1 1 A 66 66 GLN N N 66 116.800 119.660 -2.860 1
1 882 . 5 1 1 A 67 67 SER H H 67 8.060 7.793 0.267 1
1 883 . 5 1 1 A 67 67 SER HA H 67 4.150 4.317 -0.167 1
1 886 . 5 1 1 A 67 67 SER C C 67 176.900 176.361 0.539 1
1 887 . 5 1 1 A 67 67 SER CA C 67 61.500 62.131 -0.631 1
1 888 . 5 1 1 A 67 67 SER CB C 67 63.000 63.416 -0.416 1
1 889 . 5 1 1 A 67 67 SER N N 67 114.200 116.774 -2.574 1
1 890 . 5 1 1 A 68 68 VAL H H 68 7.860 8.493 -0.633 1
1 891 . 5 1 1 A 68 68 VAL HA H 68 3.850 3.612 0.238 1
1 899 . 5 1 1 A 68 68 VAL C C 68 177.600 177.922 -0.322 1
1 900 . 5 1 1 A 68 68 VAL CA C 68 64.900 66.857 -1.957 1
1 901 . 5 1 1 A 68 68 VAL CB C 68 32.000 31.700 0.300 1
1 904 . 5 1 1 A 68 68 VAL N N 68 119.300 121.597 -2.297 1
1 905 . 5 1 1 A 69 69 LEU H H 69 7.880 8.142 -0.262 1
1 906 . 5 1 1 A 69 69 LEU HA H 69 4.150 4.050 0.100 1
1 916 . 5 1 1 A 69 69 LEU C C 69 178.400 177.406 0.994 1
1 917 . 5 1 1 A 69 69 LEU CA C 69 56.500 57.108 -0.608 1
1 918 . 5 1 1 A 69 69 LEU CB C 69 41.800 41.687 0.113 1
1 922 . 5 1 1 A 69 69 LEU N N 69 119.800 118.698 1.102 1
1 923 . 5 1 1 A 70 70 GLU H H 70 7.820 8.018 -0.198 1
1 924 . 5 1 1 A 70 70 GLU HA H 70 4.130 4.307 -0.177 1
1 929 . 5 1 1 A 70 70 GLU C C 70 176.700 177.630 -0.930 1
1 930 . 5 1 1 A 70 70 GLU CA C 70 56.900 57.506 -0.606 1
1 931 . 5 1 1 A 70 70 GLU CB C 70 29.800 29.778 0.022 1
1 933 . 5 1 1 A 70 70 GLU N N 70 118.000 119.725 -1.725 1
1 934 . 5 1 1 A 71 71 HIS H H 71 7.950 7.775 0.175 1
1 935 . 5 1 1 A 71 71 HIS HA H 71 4.460 4.576 -0.116 1
1 938 . 5 1 1 A 71 71 HIS C C 71 174.700 174.986 -0.286 1
1 939 . 5 1 1 A 71 71 HIS CA C 71 56.300 56.765 -0.465 1
1 940 . 5 1 1 A 71 71 HIS CB C 71 28.800 29.856 -1.056 1
1 941 . 5 1 1 A 71 71 HIS N N 71 117.800 119.382 -1.582 1
1 942 . 5 1 1 A 72 72 HIS H H 72 8.260 7.707 0.553 1
1 943 . 5 1 1 A 72 72 HIS HA H 72 4.590 4.669 -0.079 1
1 946 . 5 1 1 A 72 72 HIS C C 72 174.500 173.797 0.703 1
1 947 . 5 1 1 A 72 72 HIS CA C 72 55.700 55.367 0.333 1
1 948 . 5 1 1 A 72 72 HIS CB C 72 29.600 29.618 -0.018 1
1 949 . 5 1 1 A 72 72 HIS N N 72 119.100 120.515 -1.415 1
1 950 . 5 1 1 A 73 73 HIS H H 73 8.420 8.682 -0.262 1
1 951 . 5 1 1 A 73 73 HIS HA H 73 4.580 5.136 -0.556 1
1 954 . 5 1 1 A 73 73 HIS C C 73 174.400 173.510 0.890 1
1 955 . 5 1 1 A 73 73 HIS CA C 73 55.500 54.442 1.058 1
1 956 . 5 1 1 A 73 73 HIS CB C 73 29.600 32.441 -2.841 1
1 957 . 5 1 1 A 73 73 HIS N N 73 119.700 127.903 -8.203 1
1 958 . 5 1 1 A 74 74 HIS H H 74 8.470 8.587 -0.117 1
1 959 . 5 1 1 A 74 74 HIS HA H 74 4.570 4.420 0.150 1
1 962 . 5 1 1 A 74 74 HIS C C 74 173.600 174.587 -0.987 1
1 963 . 5 1 1 A 74 74 HIS CA C 74 55.600 55.967 -0.367 1
1 964 . 5 1 1 A 74 74 HIS CB C 74 29.500 30.920 -1.420 1
1 965 . 5 1 1 A 74 74 HIS N N 74 120.500 126.631 -6.131 1
1 966 . 5 1 1 A 75 75 HIS H H 75 8.290 8.213 0.077 1
1 967 . 5 1 1 A 75 75 HIS HA H 75 4.400 4.270 0.130 1
1 970 . 5 1 1 A 75 75 HIS CA C 75 57.100 58.653 -1.553 1
1 971 . 5 1 1 A 75 75 HIS CB C 75 29.700 29.794 -0.094 1
1 1 . 6 1 1 A 2 2 PRO HA H 2 4.400 4.550 -0.150 1
1 8 . 6 1 1 A 2 2 PRO C C 2 172.300 176.362 -4.062 1
1 9 . 6 1 1 A 2 2 PRO CA C 2 62.200 63.937 -1.737 1
1 10 . 6 1 1 A 2 2 PRO CB C 2 32.600 31.677 0.923 1
1 13 . 6 1 1 A 3 3 ILE H H 3 8.630 7.742 0.888 1
1 14 . 6 1 1 A 3 3 ILE HA H 3 4.190 4.257 -0.067 1
1 24 . 6 1 1 A 3 3 ILE C C 3 176.100 176.098 0.002 1
1 25 . 6 1 1 A 3 3 ILE CA C 3 61.500 60.617 0.883 1
1 26 . 6 1 1 A 3 3 ILE CB C 3 38.600 36.474 2.126 1
1 30 . 6 1 1 A 3 3 ILE N N 3 120.700 119.138 1.562 1
1 31 . 6 1 1 A 4 4 VAL H H 4 8.380 8.321 0.059 1
1 32 . 6 1 1 A 4 4 VAL HA H 4 4.140 3.697 0.443 1
1 40 . 6 1 1 A 4 4 VAL C C 4 175.800 175.772 0.028 1
1 41 . 6 1 1 A 4 4 VAL CA C 4 62.100 62.867 -0.767 1
1 42 . 6 1 1 A 4 4 VAL CB C 4 32.800 30.037 2.763 1
1 45 . 6 1 1 A 4 4 VAL N N 4 125.500 126.997 -1.497 1
1 46 . 6 1 1 A 5 5 SER H H 5 8.450 8.165 0.285 1
1 47 . 6 1 1 A 5 5 SER HA H 5 4.420 3.990 0.430 1
1 50 . 6 1 1 A 5 5 SER C C 5 174.300 174.641 -0.341 1
1 51 . 6 1 1 A 5 5 SER CA C 5 57.900 62.094 -4.194 1
1 52 . 6 1 1 A 5 5 SER CB C 5 64.000 63.157 0.843 1
1 53 . 6 1 1 A 5 5 SER N N 5 120.500 117.916 2.584 1
1 54 . 6 1 1 A 6 6 LYS H H 6 8.330 7.904 0.426 1
1 55 . 6 1 1 A 6 6 LYS HA H 6 4.150 4.030 0.120 1
1 64 . 6 1 1 A 6 6 LYS C C 6 176.000 175.770 0.230 1
1 65 . 6 1 1 A 6 6 LYS CA C 6 56.800 57.886 -1.086 1
1 66 . 6 1 1 A 6 6 LYS CB C 6 33.000 30.173 2.827 1
1 70 . 6 1 1 A 6 6 LYS N N 6 123.400 117.865 5.535 1
1 71 . 6 1 1 A 7 7 TYR H H 7 8.150 8.177 -0.027 1
1 72 . 6 1 1 A 7 7 TYR HA H 7 4.640 4.447 0.193 1
1 79 . 6 1 1 A 7 7 TYR C C 7 175.400 175.093 0.307 1
1 80 . 6 1 1 A 7 7 TYR CA C 7 56.700 60.212 -3.512 1
1 81 . 6 1 1 A 7 7 TYR CB C 7 39.300 37.079 2.221 1
1 86 . 6 1 1 A 7 7 TYR N N 7 120.000 115.264 4.736 1
1 87 . 6 1 1 A 8 8 SER H H 8 8.360 8.529 -0.169 1
1 88 . 6 1 1 A 8 8 SER HA H 8 4.400 4.867 -0.467 1
1 91 . 6 1 1 A 8 8 SER C C 8 174.700 175.758 -1.058 1
1 92 . 6 1 1 A 8 8 SER CA C 8 57.600 56.631 0.969 1
1 93 . 6 1 1 A 8 8 SER CB C 8 64.000 64.073 -0.073 1
1 94 . 6 1 1 A 8 8 SER N N 8 118.100 116.807 1.293 1
1 95 . 6 1 1 A 9 9 ASN H H 9 8.900 8.969 -0.069 1
1 96 . 6 1 1 A 9 9 ASN HA H 9 4.400 4.387 0.013 1
1 101 . 6 1 1 A 9 9 ASN C C 9 176.800 177.505 -0.705 1
1 102 . 6 1 1 A 9 9 ASN CA C 9 55.900 56.835 -0.935 1
1 103 . 6 1 1 A 9 9 ASN CB C 9 38.300 37.908 0.392 1
1 105 . 6 1 1 A 9 9 ASN N N 9 122.300 122.898 -0.598 1
1 107 . 6 1 1 A 10 10 GLU H H 10 8.740 8.463 0.277 1
1 108 . 6 1 1 A 10 10 GLU HA H 10 4.000 4.020 -0.020 1
1 113 . 6 1 1 A 10 10 GLU C C 10 178.500 178.840 -0.340 1
1 114 . 6 1 1 A 10 10 GLU CA C 10 59.900 59.774 0.126 1
1 115 . 6 1 1 A 10 10 GLU CB C 10 29.000 28.991 0.009 1
1 117 . 6 1 1 A 10 10 GLU N N 10 119.000 119.450 -0.450 1
1 118 . 6 1 1 A 11 11 ARG H H 11 7.750 7.755 -0.005 1
1 119 . 6 1 1 A 11 11 ARG HA H 11 4.070 4.106 -0.036 1
1 127 . 6 1 1 A 11 11 ARG C C 11 178.000 178.644 -0.644 1
1 128 . 6 1 1 A 11 11 ARG CA C 11 58.800 58.795 0.005 1
1 129 . 6 1 1 A 11 11 ARG CB C 11 30.100 29.484 0.616 1
1 132 . 6 1 1 A 11 11 ARG N N 11 121.500 119.542 1.958 1
1 134 . 6 1 1 A 12 12 VAL H H 12 7.830 8.096 -0.266 1
1 135 . 6 1 1 A 12 12 VAL HA H 12 3.420 3.536 -0.116 1
1 143 . 6 1 1 A 12 12 VAL C C 12 177.400 177.779 -0.379 1
1 144 . 6 1 1 A 12 12 VAL CA C 12 67.000 67.071 -0.071 1
1 145 . 6 1 1 A 12 12 VAL CB C 12 32.100 31.670 0.430 1
1 148 . 6 1 1 A 12 12 VAL N N 12 118.800 119.968 -1.168 1
1 149 . 6 1 1 A 13 13 GLU H H 13 8.220 7.838 0.382 1
1 150 . 6 1 1 A 13 13 GLU HA H 13 3.890 4.230 -0.340 1
1 155 . 6 1 1 A 13 13 GLU C C 13 178.900 179.135 -0.235 1
1 156 . 6 1 1 A 13 13 GLU CA C 13 59.500 58.566 0.934 1
1 157 . 6 1 1 A 13 13 GLU CB C 13 29.000 29.595 -0.595 1
1 159 . 6 1 1 A 13 13 GLU N N 13 116.800 118.070 -1.270 1
1 160 . 6 1 1 A 14 14 LYS H H 14 7.600 7.953 -0.353 1
1 161 . 6 1 1 A 14 14 LYS HA H 14 4.030 4.117 -0.087 1
1 170 . 6 1 1 A 14 14 LYS C C 14 177.700 178.721 -1.021 1
1 171 . 6 1 1 A 14 14 LYS CA C 14 59.100 59.172 -0.072 1
1 172 . 6 1 1 A 14 14 LYS CB C 14 32.100 32.289 -0.189 1
1 176 . 6 1 1 A 14 14 LYS N N 14 120.400 120.598 -0.198 1
1 177 . 6 1 1 A 15 15 ILE H H 15 7.830 8.058 -0.228 1
1 178 . 6 1 1 A 15 15 ILE HA H 15 3.630 3.629 0.001 1
1 188 . 6 1 1 A 15 15 ILE C C 15 178.200 177.908 0.292 1
1 189 . 6 1 1 A 15 15 ILE CA C 15 65.700 65.686 0.014 1
1 190 . 6 1 1 A 15 15 ILE CB C 15 37.500 38.054 -0.554 1
1 194 . 6 1 1 A 15 15 ILE N N 15 119.700 118.943 0.757 1
1 195 . 6 1 1 A 16 16 ILE H H 16 8.080 8.102 -0.022 1
1 196 . 6 1 1 A 16 16 ILE HA H 16 3.360 3.510 -0.150 1
1 206 . 6 1 1 A 16 16 ILE C C 16 177.500 178.229 -0.729 1
1 207 . 6 1 1 A 16 16 ILE CA C 16 66.600 65.840 0.760 1
1 208 . 6 1 1 A 16 16 ILE CB C 16 38.300 37.870 0.430 1
1 212 . 6 1 1 A 16 16 ILE N N 16 117.900 120.489 -2.589 1
1 213 . 6 1 1 A 17 17 GLN H H 17 8.010 8.241 -0.231 1
1 214 . 6 1 1 A 17 17 GLN HA H 17 3.830 3.933 -0.103 1
1 221 . 6 1 1 A 17 17 GLN C C 17 178.000 177.488 0.512 1
1 222 . 6 1 1 A 17 17 GLN CA C 17 58.400 59.127 -0.727 1
1 223 . 6 1 1 A 17 17 GLN CB C 17 28.100 28.253 -0.153 1
1 225 . 6 1 1 A 17 17 GLN N N 17 117.900 120.171 -2.271 1
1 227 . 6 1 1 A 18 18 ASP H H 18 8.710 8.383 0.327 1
1 228 . 6 1 1 A 18 18 ASP HA H 18 4.400 4.400 0.000 1
1 231 . 6 1 1 A 18 18 ASP C C 18 179.800 178.915 0.885 1
1 232 . 6 1 1 A 18 18 ASP CA C 18 57.400 57.206 0.194 1
1 233 . 6 1 1 A 18 18 ASP CB C 18 39.900 41.317 -1.417 1
1 234 . 6 1 1 A 18 18 ASP N N 18 121.000 120.291 0.709 1
1 235 . 6 1 1 A 19 19 LEU H H 19 8.260 8.291 -0.031 1
1 236 . 6 1 1 A 19 19 LEU HA H 19 4.010 4.040 -0.030 1
1 246 . 6 1 1 A 19 19 LEU C C 19 178.200 179.845 -1.645 1
1 247 . 6 1 1 A 19 19 LEU CA C 19 58.100 58.222 -0.122 1
1 248 . 6 1 1 A 19 19 LEU CB C 19 42.400 41.792 0.608 1
1 252 . 6 1 1 A 19 19 LEU N N 19 120.800 119.807 0.993 1
1 253 . 6 1 1 A 20 20 LEU H H 20 8.160 8.466 -0.306 1
1 254 . 6 1 1 A 20 20 LEU HA H 20 3.940 3.931 0.009 1
1 264 . 6 1 1 A 20 20 LEU C C 20 180.100 179.193 0.907 1
1 265 . 6 1 1 A 20 20 LEU CA C 20 57.900 57.847 0.053 1
1 266 . 6 1 1 A 20 20 LEU CB C 20 40.800 40.775 0.025 1
1 270 . 6 1 1 A 20 20 LEU N N 20 117.300 118.680 -1.380 1
1 271 . 6 1 1 A 21 21 ASP H H 21 9.000 8.408 0.592 1
1 272 . 6 1 1 A 21 21 ASP HA H 21 4.420 4.325 0.095 1
1 275 . 6 1 1 A 21 21 ASP C C 21 179.000 178.599 0.401 1
1 276 . 6 1 1 A 21 21 ASP CA C 21 57.300 57.764 -0.464 1
1 277 . 6 1 1 A 21 21 ASP CB C 21 40.500 41.161 -0.661 1
1 278 . 6 1 1 A 21 21 ASP N N 21 120.000 120.260 -0.260 1
1 279 . 6 1 1 A 22 22 VAL H H 22 7.370 7.803 -0.433 1
1 280 . 6 1 1 A 22 22 VAL HA H 22 3.600 3.565 0.035 1
1 288 . 6 1 1 A 22 22 VAL C C 22 177.700 178.179 -0.479 1
1 289 . 6 1 1 A 22 22 VAL CA C 22 66.300 66.871 -0.571 1
1 290 . 6 1 1 A 22 22 VAL CB C 22 32.000 31.316 0.684 1
1 293 . 6 1 1 A 22 22 VAL N N 22 119.800 119.749 0.051 1
1 294 . 6 1 1 A 23 23 LEU H H 23 6.880 7.992 -1.112 1
1 295 . 6 1 1 A 23 23 LEU HA H 23 3.880 3.911 -0.031 1
1 305 . 6 1 1 A 23 23 LEU C C 23 179.100 179.439 -0.339 1
1 306 . 6 1 1 A 23 23 LEU CA C 23 57.100 58.105 -1.005 1
1 307 . 6 1 1 A 23 23 LEU CB C 23 40.600 41.888 -1.288 1
1 311 . 6 1 1 A 23 23 LEU N N 23 116.500 119.673 -3.173 1
1 312 . 6 1 1 A 24 24 VAL H H 24 8.430 8.232 0.198 1
1 313 . 6 1 1 A 24 24 VAL HA H 24 3.780 3.882 -0.102 1
1 321 . 6 1 1 A 24 24 VAL C C 24 180.800 177.526 3.274 1
1 322 . 6 1 1 A 24 24 VAL CA C 24 65.900 64.859 1.041 1
1 323 . 6 1 1 A 24 24 VAL CB C 24 32.200 31.483 0.717 1
1 326 . 6 1 1 A 24 24 VAL N N 24 120.300 119.112 1.188 1
1 327 . 6 1 1 A 25 25 LYS H H 25 8.380 8.458 -0.078 1
1 328 . 6 1 1 A 25 25 LYS HA H 25 4.030 3.962 0.068 1
1 337 . 6 1 1 A 25 25 LYS C C 25 178.500 178.952 -0.452 1
1 338 . 6 1 1 A 25 25 LYS CA C 25 59.400 59.053 0.347 1
1 339 . 6 1 1 A 25 25 LYS CB C 25 32.300 32.061 0.239 1
1 343 . 6 1 1 A 25 25 LYS N N 25 121.900 121.323 0.577 1
1 344 . 6 1 1 A 26 26 GLU H H 26 7.360 8.119 -0.759 1
1 345 . 6 1 1 A 26 26 GLU HA H 26 4.330 4.339 -0.009 1
1 350 . 6 1 1 A 26 26 GLU C C 26 175.000 175.781 -0.781 1
1 351 . 6 1 1 A 26 26 GLU CA C 26 56.000 56.557 -0.557 1
1 352 . 6 1 1 A 26 26 GLU CB C 26 29.800 29.967 -0.167 1
1 354 . 6 1 1 A 26 26 GLU N N 26 115.000 115.906 -0.906 1
1 355 . 6 1 1 A 27 27 GLU H H 27 7.980 7.966 0.014 1
1 356 . 6 1 1 A 27 27 GLU HA H 27 3.950 3.867 0.083 1
1 361 . 6 1 1 A 27 27 GLU C C 27 175.900 175.040 0.860 1
1 362 . 6 1 1 A 27 27 GLU CA C 27 56.900 57.491 -0.591 1
1 363 . 6 1 1 A 27 27 GLU CB C 27 27.100 27.279 -0.179 1
1 365 . 6 1 1 A 27 27 GLU N N 27 116.300 116.728 -0.428 1
1 366 . 6 1 1 A 28 28 VAL H H 28 7.370 7.643 -0.273 1
1 367 . 6 1 1 A 28 28 VAL HA H 28 4.200 4.223 -0.023 1
1 375 . 6 1 1 A 28 28 VAL C C 28 176.700 175.605 1.095 1
1 376 . 6 1 1 A 28 28 VAL CA C 28 61.600 61.845 -0.245 1
1 377 . 6 1 1 A 28 28 VAL CB C 28 32.600 32.624 -0.024 1
1 380 . 6 1 1 A 28 28 VAL N N 28 112.200 115.826 -3.626 1
1 381 . 6 1 1 A 29 29 THR H H 29 7.400 8.533 -1.133 1
1 382 . 6 1 1 A 29 29 THR HA H 29 4.640 4.427 0.213 1
1 387 . 6 1 1 A 29 29 THR CA C 29 59.900 61.453 -1.553 1
1 388 . 6 1 1 A 29 29 THR CB C 29 67.900 68.747 -0.847 1
1 390 . 6 1 1 A 29 29 THR N N 29 113.900 120.043 -6.143 1
1 391 . 6 1 1 A 30 30 PRO HA H 30 4.130 4.206 -0.076 1
1 398 . 6 1 1 A 30 30 PRO C C 30 177.600 178.598 -0.998 1
1 399 . 6 1 1 A 30 30 PRO CA C 30 66.300 65.783 0.517 1
1 400 . 6 1 1 A 30 30 PRO CB C 30 31.500 31.785 -0.285 1
1 403 . 6 1 1 A 31 31 ASP H H 31 8.390 8.375 0.015 1
1 404 . 6 1 1 A 31 31 ASP HA H 31 4.240 4.341 -0.101 1
1 407 . 6 1 1 A 31 31 ASP C C 31 178.900 179.000 -0.100 1
1 408 . 6 1 1 A 31 31 ASP CA C 31 57.000 57.413 -0.413 1
1 409 . 6 1 1 A 31 31 ASP CB C 31 40.000 40.580 -0.580 1
1 410 . 6 1 1 A 31 31 ASP N N 31 113.200 117.344 -4.144 1
1 411 . 6 1 1 A 32 32 LEU H H 32 7.460 8.084 -0.624 1
1 412 . 6 1 1 A 32 32 LEU HA H 32 4.190 4.141 0.049 1
1 422 . 6 1 1 A 32 32 LEU C C 32 178.900 178.325 0.575 1
1 423 . 6 1 1 A 32 32 LEU CA C 32 57.000 57.862 -0.862 1
1 424 . 6 1 1 A 32 32 LEU CB C 32 41.300 41.279 0.021 1
1 428 . 6 1 1 A 32 32 LEU N N 32 123.000 121.291 1.709 1
1 429 . 6 1 1 A 33 33 ALA H H 33 8.930 8.498 0.432 1
1 430 . 6 1 1 A 33 33 ALA HA H 33 3.730 4.010 -0.280 1
1 434 . 6 1 1 A 33 33 ALA C C 33 179.800 180.205 -0.405 1
1 435 . 6 1 1 A 33 33 ALA CA C 33 55.900 55.256 0.644 1
1 436 . 6 1 1 A 33 33 ALA CB C 33 19.100 18.173 0.927 1
1 437 . 6 1 1 A 33 33 ALA N N 33 122.700 120.677 2.023 1
1 438 . 6 1 1 A 34 34 LEU H H 34 8.420 8.223 0.197 1
1 439 . 6 1 1 A 34 34 LEU HA H 34 4.010 3.907 0.103 1
1 449 . 6 1 1 A 34 34 LEU C C 34 179.700 178.602 1.098 1
1 450 . 6 1 1 A 34 34 LEU CA C 34 58.200 58.189 0.011 1
1 451 . 6 1 1 A 34 34 LEU CB C 34 41.200 41.673 -0.473 1
1 455 . 6 1 1 A 34 34 LEU N N 34 115.800 118.664 -2.864 1
1 456 . 6 1 1 A 35 35 MET H H 35 7.730 8.287 -0.557 1
1 457 . 6 1 1 A 35 35 MET HA H 35 4.240 4.151 0.089 1
1 465 . 6 1 1 A 35 35 MET C C 35 179.500 178.153 1.347 1
1 466 . 6 1 1 A 35 35 MET CA C 35 59.300 58.582 0.718 1
1 467 . 6 1 1 A 35 35 MET CB C 35 32.900 32.133 0.767 1
1 470 . 6 1 1 A 35 35 MET N N 35 121.400 118.216 3.184 1
1 471 . 6 1 1 A 36 36 CYS H H 36 8.420 8.429 -0.009 1
1 472 . 6 1 1 A 36 36 CYS HA H 36 3.950 4.147 -0.197 1
1 475 . 6 1 1 A 36 36 CYS C C 36 177.000 177.153 -0.153 1
1 476 . 6 1 1 A 36 36 CYS CA C 36 64.200 63.538 0.662 1
1 477 . 6 1 1 A 36 36 CYS CB C 36 27.200 28.041 -0.841 1
1 478 . 6 1 1 A 36 36 CYS N N 36 118.600 117.653 0.947 1
1 479 . 6 1 1 A 37 37 LEU H H 37 9.020 8.824 0.196 1
1 480 . 6 1 1 A 37 37 LEU HA H 37 3.940 4.003 -0.063 1
1 490 . 6 1 1 A 37 37 LEU C C 37 179.100 179.288 -0.188 1
1 491 . 6 1 1 A 37 37 LEU CA C 37 58.300 58.449 -0.149 1
1 492 . 6 1 1 A 37 37 LEU CB C 37 42.200 42.089 0.111 1
1 496 . 6 1 1 A 37 37 LEU N N 37 119.600 120.787 -1.187 1
1 497 . 6 1 1 A 38 38 GLY H H 38 8.940 8.379 0.561 1
1 498 . 6 1 1 A 38 38 GLY HA2 H 38 3.610 3.813 -0.203 1
1 499 . 6 1 1 A 38 38 GLY HA3 H 38 3.970 3.826 0.144 1
1 500 . 6 1 1 A 38 38 GLY C C 38 179.800 175.807 3.993 1
1 501 . 6 1 1 A 38 38 GLY CA C 38 47.900 47.243 0.657 1
1 502 . 6 1 1 A 38 38 GLY N N 38 106.600 104.977 1.623 1
1 503 . 6 1 1 A 39 39 ASN H H 39 7.790 7.970 -0.180 1
1 504 . 6 1 1 A 39 39 ASN HA H 39 4.440 4.435 0.005 1
1 509 . 6 1 1 A 39 39 ASN C C 39 178.000 177.574 0.426 1
1 510 . 6 1 1 A 39 39 ASN CA C 39 56.300 56.460 -0.160 1
1 511 . 6 1 1 A 39 39 ASN CB C 39 39.500 39.066 0.434 1
1 513 . 6 1 1 A 39 39 ASN N N 39 120.900 119.660 1.240 1
1 515 . 6 1 1 A 40 40 ALA H H 40 8.260 7.770 0.490 1
1 516 . 6 1 1 A 40 40 ALA HA H 40 3.970 4.079 -0.109 1
1 520 . 6 1 1 A 40 40 ALA C C 40 178.200 179.734 -1.534 1
1 521 . 6 1 1 A 40 40 ALA CA C 40 55.900 55.203 0.697 1
1 522 . 6 1 1 A 40 40 ALA CB C 40 17.200 18.348 -1.148 1
1 523 . 6 1 1 A 40 40 ALA N N 40 123.900 121.768 2.132 1
1 524 . 6 1 1 A 41 41 VAL H H 41 8.410 8.451 -0.041 1
1 525 . 6 1 1 A 41 41 VAL HA H 41 3.180 3.378 -0.198 1
1 533 . 6 1 1 A 41 41 VAL C C 41 177.800 178.543 -0.743 1
1 534 . 6 1 1 A 41 41 VAL CA C 41 67.000 67.128 -0.128 1
1 535 . 6 1 1 A 41 41 VAL CB C 41 30.900 31.446 -0.546 1
1 538 . 6 1 1 A 41 41 VAL N N 41 116.900 118.081 -1.181 1
1 539 . 6 1 1 A 42 42 THR H H 42 8.210 8.103 0.107 1
1 540 . 6 1 1 A 42 42 THR HA H 42 3.430 3.781 -0.351 1
1 545 . 6 1 1 A 42 42 THR C C 42 175.900 176.265 -0.365 1
1 546 . 6 1 1 A 42 42 THR CA C 42 67.500 67.221 0.279 1
1 547 . 6 1 1 A 42 42 THR CB C 42 68.000 68.728 -0.728 1
1 549 . 6 1 1 A 42 42 THR N N 42 114.800 116.749 -1.949 1
1 550 . 6 1 1 A 43 43 ASN H H 43 7.600 7.777 -0.177 1
1 551 . 6 1 1 A 43 43 ASN HA H 43 4.170 4.543 -0.373 1
1 556 . 6 1 1 A 43 43 ASN C C 43 177.300 178.152 -0.852 1
1 557 . 6 1 1 A 43 43 ASN CA C 43 57.000 56.272 0.728 1
1 558 . 6 1 1 A 43 43 ASN CB C 43 39.400 38.710 0.690 1
1 560 . 6 1 1 A 43 43 ASN N N 43 120.300 118.401 1.899 1
1 562 . 6 1 1 A 44 44 ILE H H 44 7.630 7.711 -0.081 1
1 563 . 6 1 1 A 44 44 ILE HA H 44 3.770 3.675 0.095 1
1 573 . 6 1 1 A 44 44 ILE C C 44 179.200 178.273 0.927 1
1 574 . 6 1 1 A 44 44 ILE CA C 44 62.100 65.004 -2.904 1
1 575 . 6 1 1 A 44 44 ILE CB C 44 35.700 37.886 -2.186 1
1 579 . 6 1 1 A 44 44 ILE N N 44 119.700 120.454 -0.754 1
1 580 . 6 1 1 A 45 45 ILE H H 45 8.460 8.508 -0.048 1
1 581 . 6 1 1 A 45 45 ILE HA H 45 3.550 3.725 -0.175 1
1 591 . 6 1 1 A 45 45 ILE C C 45 177.100 178.367 -1.267 1
1 592 . 6 1 1 A 45 45 ILE CA C 45 65.100 64.724 0.376 1
1 593 . 6 1 1 A 45 45 ILE CB C 45 36.600 36.713 -0.113 1
1 597 . 6 1 1 A 45 45 ILE N N 45 120.300 120.261 0.039 1
1 598 . 6 1 1 A 46 46 ALA H H 46 7.750 7.641 0.109 1
1 599 . 6 1 1 A 46 46 ALA HA H 46 3.950 4.086 -0.136 1
1 603 . 6 1 1 A 46 46 ALA C C 46 178.000 178.466 -0.466 1
1 604 . 6 1 1 A 46 46 ALA CA C 46 54.000 54.321 -0.321 1
1 605 . 6 1 1 A 46 46 ALA CB C 46 17.900 18.216 -0.316 1
1 606 . 6 1 1 A 46 46 ALA N N 46 120.000 123.596 -3.596 1
1 607 . 6 1 1 A 47 47 GLN H H 47 7.610 7.601 0.009 1
1 608 . 6 1 1 A 47 47 GLN HA H 47 4.190 4.392 -0.202 1
1 615 . 6 1 1 A 47 47 GLN C C 47 177.100 175.729 1.371 1
1 616 . 6 1 1 A 47 47 GLN CA C 47 56.000 56.020 -0.020 1
1 617 . 6 1 1 A 47 47 GLN CB C 47 29.000 29.362 -0.362 1
1 620 . 6 1 1 A 47 47 GLN N N 47 114.000 114.837 -0.837 1
1 622 . 6 1 1 A 48 48 VAL H H 48 7.740 7.687 0.053 1
1 623 . 6 1 1 A 48 48 VAL HA H 48 4.390 4.197 0.193 1
1 631 . 6 1 1 A 48 48 VAL CA C 48 59.900 59.251 0.649 1
1 632 . 6 1 1 A 48 48 VAL CB C 48 31.900 32.277 -0.377 1
1 635 . 6 1 1 A 48 48 VAL N N 48 122.400 122.017 0.383 1
1 636 . 6 1 1 A 49 49 PRO HA H 49 4.340 4.594 -0.254 1
1 643 . 6 1 1 A 49 49 PRO C C 49 177.700 177.829 -0.129 1
1 644 . 6 1 1 A 49 49 PRO CA C 49 63.700 62.775 0.925 1
1 645 . 6 1 1 A 49 49 PRO CB C 49 32.300 32.485 -0.185 1
1 648 . 6 1 1 A 50 50 GLU H H 50 8.960 9.013 -0.053 1
1 649 . 6 1 1 A 50 50 GLU HA H 50 3.580 3.972 -0.392 1
1 654 . 6 1 1 A 50 50 GLU C C 50 178.300 178.199 0.101 1
1 655 . 6 1 1 A 50 50 GLU CA C 50 60.800 59.573 1.227 1
1 656 . 6 1 1 A 50 50 GLU CB C 50 29.900 29.294 0.606 1
1 658 . 6 1 1 A 50 50 GLU N N 50 124.400 124.694 -0.294 1
1 659 . 6 1 1 A 51 51 SER H H 51 8.640 8.182 0.458 1
1 660 . 6 1 1 A 51 51 SER HA H 51 4.240 4.178 0.062 1
1 663 . 6 1 1 A 51 51 SER C C 51 175.200 175.034 0.166 1
1 664 . 6 1 1 A 51 51 SER CA C 51 60.600 61.144 -0.544 1
1 665 . 6 1 1 A 51 51 SER CB C 51 62.600 63.072 -0.472 1
1 666 . 6 1 1 A 51 51 SER N N 51 112.000 114.687 -2.687 1
1 667 . 6 1 1 A 52 52 LYS H H 52 7.950 7.975 -0.025 1
1 668 . 6 1 1 A 52 52 LYS HA H 52 4.650 4.514 0.136 1
1 677 . 6 1 1 A 52 52 LYS C C 52 176.700 178.260 -1.560 1
1 678 . 6 1 1 A 52 52 LYS CA C 52 55.500 56.429 -0.929 1
1 679 . 6 1 1 A 52 52 LYS CB C 52 34.000 33.172 0.828 1
1 683 . 6 1 1 A 52 52 LYS N N 52 119.600 117.637 1.963 1
1 684 . 6 1 1 A 53 53 ARG H H 53 7.290 7.483 -0.193 1
1 685 . 6 1 1 A 53 53 ARG HA H 53 3.530 4.114 -0.584 1
1 695 . 6 1 1 A 53 53 ARG C C 53 177.300 178.689 -1.389 1
1 696 . 6 1 1 A 53 53 ARG CA C 53 61.700 58.622 3.078 1
1 697 . 6 1 1 A 53 53 ARG CB C 53 30.800 29.956 0.844 1
1 700 . 6 1 1 A 53 53 ARG N N 53 119.000 120.784 -1.784 1
1 702 . 6 1 1 A 54 54 VAL H H 54 8.440 7.902 0.538 1
1 703 . 6 1 1 A 54 54 VAL HA H 54 3.460 3.686 -0.226 1
1 711 . 6 1 1 A 54 54 VAL C C 54 177.400 177.932 -0.532 1
1 712 . 6 1 1 A 54 54 VAL CA C 54 67.200 66.496 0.704 1
1 713 . 6 1 1 A 54 54 VAL CB C 54 31.000 31.488 -0.488 1
1 716 . 6 1 1 A 54 54 VAL N N 54 118.400 119.899 -1.499 1
1 717 . 6 1 1 A 55 55 ALA H H 55 8.120 8.069 0.051 1
1 718 . 6 1 1 A 55 55 ALA HA H 55 4.180 4.040 0.140 1
1 722 . 6 1 1 A 55 55 ALA C C 55 180.700 179.587 1.113 1
1 723 . 6 1 1 A 55 55 ALA CA C 55 55.000 55.302 -0.302 1
1 724 . 6 1 1 A 55 55 ALA CB C 55 17.900 18.076 -0.176 1
1 725 . 6 1 1 A 55 55 ALA N N 55 122.300 122.008 0.292 1
1 726 . 6 1 1 A 56 56 VAL H H 56 8.040 7.896 0.144 1
1 727 . 6 1 1 A 56 56 VAL HA H 56 3.780 3.741 0.039 1
1 735 . 6 1 1 A 56 56 VAL C C 56 179.400 178.098 1.302 1
1 736 . 6 1 1 A 56 56 VAL CA C 56 66.700 65.611 1.089 1
1 737 . 6 1 1 A 56 56 VAL CB C 56 31.400 31.753 -0.353 1
1 740 . 6 1 1 A 56 56 VAL N N 56 117.900 117.066 0.834 1
1 741 . 6 1 1 A 57 57 VAL H H 57 8.510 7.517 0.993 1
1 742 . 6 1 1 A 57 57 VAL HA H 57 3.760 3.827 -0.067 1
1 750 . 6 1 1 A 57 57 VAL C C 57 177.900 177.298 0.602 1
1 751 . 6 1 1 A 57 57 VAL CA C 57 66.700 64.959 1.741 1
1 752 . 6 1 1 A 57 57 VAL CB C 57 31.400 31.448 -0.048 1
1 755 . 6 1 1 A 57 57 VAL N N 57 121.600 122.634 -1.034 1
1 756 . 6 1 1 A 58 58 ASP H H 58 8.800 8.047 0.753 1
1 757 . 6 1 1 A 58 58 ASP HA H 58 4.420 4.382 0.038 1
1 760 . 6 1 1 A 58 58 ASP C C 58 178.500 178.691 -0.191 1
1 761 . 6 1 1 A 58 58 ASP CA C 58 57.800 57.557 0.243 1
1 762 . 6 1 1 A 58 58 ASP CB C 58 40.000 41.289 -1.289 1
1 763 . 6 1 1 A 58 58 ASP N N 58 124.800 121.609 3.191 1
1 764 . 6 1 1 A 59 59 ASN H H 59 8.500 8.206 0.294 1
1 765 . 6 1 1 A 59 59 ASN HA H 59 4.460 4.439 0.021 1
1 770 . 6 1 1 A 59 59 ASN C C 59 177.700 177.932 -0.232 1
1 771 . 6 1 1 A 59 59 ASN CA C 59 56.500 56.351 0.149 1
1 772 . 6 1 1 A 59 59 ASN CB C 59 38.300 37.809 0.491 1
1 774 . 6 1 1 A 59 59 ASN N N 59 118.800 117.713 1.087 1
1 776 . 6 1 1 A 60 60 PHE H H 60 8.540 8.511 0.029 1
1 777 . 6 1 1 A 60 60 PHE HA H 60 4.210 4.074 0.136 1
1 785 . 6 1 1 A 60 60 PHE C C 60 177.700 177.671 0.029 1
1 786 . 6 1 1 A 60 60 PHE CA C 60 61.600 61.636 -0.036 1
1 787 . 6 1 1 A 60 60 PHE CB C 60 39.800 39.078 0.722 1
1 793 . 6 1 1 A 60 60 PHE N N 60 121.800 122.059 -0.259 1
1 794 . 6 1 1 A 61 61 THR H H 61 8.820 8.161 0.659 1
1 795 . 6 1 1 A 61 61 THR HA H 61 3.820 4.038 -0.218 1
1 801 . 6 1 1 A 61 61 THR C C 61 176.700 176.590 0.110 1
1 802 . 6 1 1 A 61 61 THR CA C 61 66.200 65.975 0.225 1
1 803 . 6 1 1 A 61 61 THR CB C 61 68.400 68.547 -0.147 1
1 805 . 6 1 1 A 61 61 THR N N 61 112.200 112.194 0.006 1
1 806 . 6 1 1 A 62 62 LYS H H 62 8.190 8.670 -0.480 1
1 807 . 6 1 1 A 62 62 LYS HA H 62 4.010 3.915 0.095 1
1 816 . 6 1 1 A 62 62 LYS C C 62 179.100 178.783 0.317 1
1 817 . 6 1 1 A 62 62 LYS CA C 62 60.100 59.364 0.736 1
1 818 . 6 1 1 A 62 62 LYS CB C 62 32.500 32.360 0.140 1
1 822 . 6 1 1 A 62 62 LYS N N 62 124.000 122.152 1.848 1
1 823 . 6 1 1 A 63 63 ALA H H 63 7.800 7.839 -0.039 1
1 824 . 6 1 1 A 63 63 ALA HA H 63 4.070 4.029 0.041 1
1 828 . 6 1 1 A 63 63 ALA C C 63 180.400 180.335 0.065 1
1 829 . 6 1 1 A 63 63 ALA CA C 63 54.700 54.864 -0.164 1
1 830 . 6 1 1 A 63 63 ALA CB C 63 17.800 18.477 -0.677 1
1 831 . 6 1 1 A 63 63 ALA N N 63 121.500 120.460 1.040 1
1 832 . 6 1 1 A 64 64 LEU H H 64 7.850 7.829 0.021 1
1 833 . 6 1 1 A 64 64 LEU HA H 64 3.900 3.904 -0.004 1
1 843 . 6 1 1 A 64 64 LEU C C 64 178.600 179.170 -0.570 1
1 844 . 6 1 1 A 64 64 LEU CA C 64 57.300 57.777 -0.477 1
1 845 . 6 1 1 A 64 64 LEU CB C 64 41.900 41.623 0.277 1
1 849 . 6 1 1 A 64 64 LEU N N 64 120.100 120.153 -0.053 1
1 850 . 6 1 1 A 65 65 LYS H H 65 7.970 8.086 -0.116 1
1 851 . 6 1 1 A 65 65 LYS HA H 65 3.730 3.807 -0.077 1
1 860 . 6 1 1 A 65 65 LYS C C 65 178.300 179.122 -0.822 1
1 861 . 6 1 1 A 65 65 LYS CA C 65 60.400 60.386 0.014 1
1 862 . 6 1 1 A 65 65 LYS CB C 65 31.900 32.138 -0.238 1
1 866 . 6 1 1 A 65 65 LYS N N 65 118.100 117.275 0.825 1
1 867 . 6 1 1 A 66 66 GLN H H 66 7.820 7.719 0.101 1
1 868 . 6 1 1 A 66 66 GLN HA H 66 3.950 4.067 -0.117 1
1 875 . 6 1 1 A 66 66 GLN C C 66 178.000 178.419 -0.419 1
1 876 . 6 1 1 A 66 66 GLN CA C 66 58.700 58.897 -0.197 1
1 877 . 6 1 1 A 66 66 GLN CB C 66 28.200 28.746 -0.546 1
1 880 . 6 1 1 A 66 66 GLN N N 66 116.800 119.735 -2.935 1
1 882 . 6 1 1 A 67 67 SER H H 67 8.060 8.089 -0.029 1
1 883 . 6 1 1 A 67 67 SER HA H 67 4.150 4.163 -0.013 1
1 886 . 6 1 1 A 67 67 SER C C 67 176.900 176.459 0.441 1
1 887 . 6 1 1 A 67 67 SER CA C 67 61.500 62.734 -1.234 1
1 888 . 6 1 1 A 67 67 SER CB C 67 63.000 63.004 -0.004 1
1 889 . 6 1 1 A 67 67 SER N N 67 114.200 117.395 -3.195 1
1 890 . 6 1 1 A 68 68 VAL H H 68 7.860 8.013 -0.153 1
1 891 . 6 1 1 A 68 68 VAL HA H 68 3.850 3.752 0.098 1
1 899 . 6 1 1 A 68 68 VAL C C 68 177.600 178.036 -0.436 1
1 900 . 6 1 1 A 68 68 VAL CA C 68 64.900 66.618 -1.718 1
1 901 . 6 1 1 A 68 68 VAL CB C 68 32.000 31.526 0.474 1
1 904 . 6 1 1 A 68 68 VAL N N 68 119.300 121.734 -2.434 1
1 905 . 6 1 1 A 69 69 LEU H H 69 7.880 8.297 -0.417 1
1 906 . 6 1 1 A 69 69 LEU HA H 69 4.150 3.998 0.152 1
1 916 . 6 1 1 A 69 69 LEU C C 69 178.400 178.347 0.053 1
1 917 . 6 1 1 A 69 69 LEU CA C 69 56.500 58.757 -2.257 1
1 918 . 6 1 1 A 69 69 LEU CB C 69 41.800 41.688 0.112 1
1 922 . 6 1 1 A 69 69 LEU N N 69 119.800 120.997 -1.197 1
1 923 . 6 1 1 A 70 70 GLU H H 70 7.820 8.907 -1.087 1
1 924 . 6 1 1 A 70 70 GLU HA H 70 4.130 4.152 -0.022 1
1 929 . 6 1 1 A 70 70 GLU C C 70 176.700 176.888 -0.188 1
1 930 . 6 1 1 A 70 70 GLU CA C 70 56.900 59.146 -2.246 1
1 931 . 6 1 1 A 70 70 GLU CB C 70 29.800 29.142 0.658 1
1 933 . 6 1 1 A 70 70 GLU N N 70 118.000 116.976 1.024 1
1 934 . 6 1 1 A 71 71 HIS H H 71 7.950 7.927 0.023 1
1 935 . 6 1 1 A 71 71 HIS HA H 71 4.460 4.647 -0.187 1
1 938 . 6 1 1 A 71 71 HIS C C 71 174.700 175.262 -0.562 1
1 939 . 6 1 1 A 71 71 HIS CA C 71 56.300 53.722 2.578 1
1 940 . 6 1 1 A 71 71 HIS CB C 71 28.800 28.195 0.605 1
1 941 . 6 1 1 A 71 71 HIS N N 71 117.800 120.001 -2.201 1
1 942 . 6 1 1 A 72 72 HIS H H 72 8.260 8.007 0.253 1
1 943 . 6 1 1 A 72 72 HIS HA H 72 4.590 4.248 0.342 1
1 946 . 6 1 1 A 72 72 HIS C C 72 174.500 175.748 -1.248 1
1 947 . 6 1 1 A 72 72 HIS CA C 72 55.700 58.270 -2.570 1
1 948 . 6 1 1 A 72 72 HIS CB C 72 29.600 29.225 0.375 1
1 949 . 6 1 1 A 72 72 HIS N N 72 119.100 121.655 -2.555 1
1 950 . 6 1 1 A 73 73 HIS H H 73 8.420 7.045 1.375 1
1 951 . 6 1 1 A 73 73 HIS HA H 73 4.580 4.377 0.203 1
1 954 . 6 1 1 A 73 73 HIS C C 73 174.400 175.018 -0.618 1
1 955 . 6 1 1 A 73 73 HIS CA C 73 55.500 57.100 -1.600 1
1 956 . 6 1 1 A 73 73 HIS CB C 73 29.600 30.921 -1.321 1
1 957 . 6 1 1 A 73 73 HIS N N 73 119.700 115.381 4.319 1
1 958 . 6 1 1 A 74 74 HIS H H 74 8.470 8.016 0.454 1
1 959 . 6 1 1 A 74 74 HIS HA H 74 4.570 4.107 0.463 1
1 962 . 6 1 1 A 74 74 HIS C C 74 173.600 175.271 -1.671 1
1 963 . 6 1 1 A 74 74 HIS CA C 74 55.600 56.567 -0.967 1
1 964 . 6 1 1 A 74 74 HIS CB C 74 29.500 27.950 1.550 1
1 965 . 6 1 1 A 74 74 HIS N N 74 120.500 116.767 3.733 1
1 966 . 6 1 1 A 75 75 HIS H H 75 8.290 8.071 0.219 1
1 967 . 6 1 1 A 75 75 HIS HA H 75 4.400 4.512 -0.112 1
1 970 . 6 1 1 A 75 75 HIS CA C 75 57.100 57.186 -0.086 1
1 971 . 6 1 1 A 75 75 HIS CB C 75 29.700 31.257 -1.557 1
1 1 . 7 1 1 A 2 2 PRO HA H 2 4.400 4.593 -0.193 1
1 8 . 7 1 1 A 2 2 PRO C C 2 172.300 175.942 -3.642 1
1 9 . 7 1 1 A 2 2 PRO CA C 2 62.200 62.741 -0.541 1
1 10 . 7 1 1 A 2 2 PRO CB C 2 32.600 31.318 1.282 1
1 13 . 7 1 1 A 3 3 ILE H H 3 8.630 8.593 0.037 1
1 14 . 7 1 1 A 3 3 ILE HA H 3 4.190 4.484 -0.294 1
1 24 . 7 1 1 A 3 3 ILE C C 3 176.100 175.458 0.642 1
1 25 . 7 1 1 A 3 3 ILE CA C 3 61.500 60.379 1.121 1
1 26 . 7 1 1 A 3 3 ILE CB C 3 38.600 38.297 0.303 1
1 30 . 7 1 1 A 3 3 ILE N N 3 120.700 124.852 -4.152 1
1 31 . 7 1 1 A 4 4 VAL H H 4 8.380 8.610 -0.230 1
1 32 . 7 1 1 A 4 4 VAL HA H 4 4.140 4.207 -0.067 1
1 40 . 7 1 1 A 4 4 VAL C C 4 175.800 175.106 0.694 1
1 41 . 7 1 1 A 4 4 VAL CA C 4 62.100 62.878 -0.778 1
1 42 . 7 1 1 A 4 4 VAL CB C 4 32.800 30.919 1.881 1
1 45 . 7 1 1 A 4 4 VAL N N 4 125.500 128.236 -2.736 1
1 46 . 7 1 1 A 5 5 SER H H 5 8.450 8.394 0.056 1
1 47 . 7 1 1 A 5 5 SER HA H 5 4.420 4.688 -0.268 1
1 50 . 7 1 1 A 5 5 SER C C 5 174.300 174.100 0.200 1
1 51 . 7 1 1 A 5 5 SER CA C 5 57.900 55.820 2.080 1
1 52 . 7 1 1 A 5 5 SER CB C 5 64.000 65.401 -1.401 1
1 53 . 7 1 1 A 5 5 SER N N 5 120.500 122.471 -1.971 1
1 54 . 7 1 1 A 6 6 LYS H H 6 8.330 8.509 -0.179 1
1 55 . 7 1 1 A 6 6 LYS HA H 6 4.150 4.187 -0.037 1
1 64 . 7 1 1 A 6 6 LYS C C 6 176.000 175.964 0.036 1
1 65 . 7 1 1 A 6 6 LYS CA C 6 56.800 57.976 -1.176 1
1 66 . 7 1 1 A 6 6 LYS CB C 6 33.000 33.047 -0.047 1
1 70 . 7 1 1 A 6 6 LYS N N 6 123.400 124.547 -1.147 1
1 71 . 7 1 1 A 7 7 TYR H H 7 8.150 6.729 1.421 1
1 72 . 7 1 1 A 7 7 TYR HA H 7 4.640 4.697 -0.057 1
1 79 . 7 1 1 A 7 7 TYR C C 7 175.400 175.540 -0.140 1
1 80 . 7 1 1 A 7 7 TYR CA C 7 56.700 56.210 0.490 1
1 81 . 7 1 1 A 7 7 TYR CB C 7 39.300 40.272 -0.972 1
1 86 . 7 1 1 A 7 7 TYR N N 7 120.000 116.649 3.351 1
1 87 . 7 1 1 A 8 8 SER H H 8 8.360 9.018 -0.658 1
1 88 . 7 1 1 A 8 8 SER HA H 8 4.400 5.171 -0.771 1
1 91 . 7 1 1 A 8 8 SER C C 8 174.700 176.004 -1.304 1
1 92 . 7 1 1 A 8 8 SER CA C 8 57.600 56.026 1.574 1
1 93 . 7 1 1 A 8 8 SER CB C 8 64.000 66.588 -2.588 1
1 94 . 7 1 1 A 8 8 SER N N 8 118.100 116.649 1.451 1
1 95 . 7 1 1 A 9 9 ASN H H 9 8.900 8.971 -0.071 1
1 96 . 7 1 1 A 9 9 ASN HA H 9 4.400 4.449 -0.049 1
1 101 . 7 1 1 A 9 9 ASN C C 9 176.800 177.578 -0.778 1
1 102 . 7 1 1 A 9 9 ASN CA C 9 55.900 56.677 -0.777 1
1 103 . 7 1 1 A 9 9 ASN CB C 9 38.300 37.976 0.324 1
1 105 . 7 1 1 A 9 9 ASN N N 9 122.300 119.199 3.101 1
1 107 . 7 1 1 A 10 10 GLU H H 10 8.740 8.161 0.579 1
1 108 . 7 1 1 A 10 10 GLU HA H 10 4.000 4.026 -0.026 1
1 113 . 7 1 1 A 10 10 GLU C C 10 178.500 179.229 -0.729 1
1 114 . 7 1 1 A 10 10 GLU CA C 10 59.900 59.221 0.679 1
1 115 . 7 1 1 A 10 10 GLU CB C 10 29.000 29.544 -0.544 1
1 117 . 7 1 1 A 10 10 GLU N N 10 119.000 120.798 -1.798 1
1 118 . 7 1 1 A 11 11 ARG H H 11 7.750 7.989 -0.239 1
1 119 . 7 1 1 A 11 11 ARG HA H 11 4.070 4.170 -0.100 1
1 127 . 7 1 1 A 11 11 ARG C C 11 178.000 178.825 -0.825 1
1 128 . 7 1 1 A 11 11 ARG CA C 11 58.800 58.558 0.242 1
1 129 . 7 1 1 A 11 11 ARG CB C 11 30.100 29.884 0.216 1
1 132 . 7 1 1 A 11 11 ARG N N 11 121.500 120.965 0.535 1
1 134 . 7 1 1 A 12 12 VAL H H 12 7.830 7.859 -0.029 1
1 135 . 7 1 1 A 12 12 VAL HA H 12 3.420 3.455 -0.035 1
1 143 . 7 1 1 A 12 12 VAL C C 12 177.400 177.866 -0.466 1
1 144 . 7 1 1 A 12 12 VAL CA C 12 67.000 66.501 0.499 1
1 145 . 7 1 1 A 12 12 VAL CB C 12 32.100 31.506 0.594 1
1 148 . 7 1 1 A 12 12 VAL N N 12 118.800 120.224 -1.424 1
1 149 . 7 1 1 A 13 13 GLU H H 13 8.220 8.650 -0.430 1
1 150 . 7 1 1 A 13 13 GLU HA H 13 3.890 3.978 -0.088 1
1 155 . 7 1 1 A 13 13 GLU C C 13 178.900 179.220 -0.320 1
1 156 . 7 1 1 A 13 13 GLU CA C 13 59.500 59.859 -0.359 1
1 157 . 7 1 1 A 13 13 GLU CB C 13 29.000 29.305 -0.305 1
1 159 . 7 1 1 A 13 13 GLU N N 13 116.800 118.435 -1.635 1
1 160 . 7 1 1 A 14 14 LYS H H 14 7.600 7.784 -0.184 1
1 161 . 7 1 1 A 14 14 LYS HA H 14 4.030 4.057 -0.027 1
1 170 . 7 1 1 A 14 14 LYS C C 14 177.700 178.903 -1.203 1
1 171 . 7 1 1 A 14 14 LYS CA C 14 59.100 59.457 -0.357 1
1 172 . 7 1 1 A 14 14 LYS CB C 14 32.100 32.325 -0.225 1
1 176 . 7 1 1 A 14 14 LYS N N 14 120.400 120.826 -0.426 1
1 177 . 7 1 1 A 15 15 ILE H H 15 7.830 7.894 -0.064 1
1 178 . 7 1 1 A 15 15 ILE HA H 15 3.630 3.648 -0.018 1
1 188 . 7 1 1 A 15 15 ILE C C 15 178.200 178.371 -0.171 1
1 189 . 7 1 1 A 15 15 ILE CA C 15 65.700 65.606 0.094 1
1 190 . 7 1 1 A 15 15 ILE CB C 15 37.500 37.740 -0.240 1
1 194 . 7 1 1 A 15 15 ILE N N 15 119.700 118.895 0.805 1
1 195 . 7 1 1 A 16 16 ILE H H 16 8.080 8.351 -0.271 1
1 196 . 7 1 1 A 16 16 ILE HA H 16 3.360 3.557 -0.197 1
1 206 . 7 1 1 A 16 16 ILE C C 16 177.500 178.138 -0.638 1
1 207 . 7 1 1 A 16 16 ILE CA C 16 66.600 64.937 1.663 1
1 208 . 7 1 1 A 16 16 ILE CB C 16 38.300 37.565 0.735 1
1 212 . 7 1 1 A 16 16 ILE N N 16 117.900 121.233 -3.333 1
1 213 . 7 1 1 A 17 17 GLN H H 17 8.010 8.461 -0.451 1
1 214 . 7 1 1 A 17 17 GLN HA H 17 3.830 3.921 -0.091 1
1 221 . 7 1 1 A 17 17 GLN C C 17 178.000 177.490 0.510 1
1 222 . 7 1 1 A 17 17 GLN CA C 17 58.400 59.181 -0.781 1
1 223 . 7 1 1 A 17 17 GLN CB C 17 28.100 28.273 -0.173 1
1 225 . 7 1 1 A 17 17 GLN N N 17 117.900 121.546 -3.646 1
1 227 . 7 1 1 A 18 18 ASP H H 18 8.710 8.235 0.475 1
1 228 . 7 1 1 A 18 18 ASP HA H 18 4.400 4.398 0.002 1
1 231 . 7 1 1 A 18 18 ASP C C 18 179.800 178.916 0.884 1
1 232 . 7 1 1 A 18 18 ASP CA C 18 57.400 57.179 0.221 1
1 233 . 7 1 1 A 18 18 ASP CB C 18 39.900 41.146 -1.246 1
1 234 . 7 1 1 A 18 18 ASP N N 18 121.000 120.417 0.583 1
1 235 . 7 1 1 A 19 19 LEU H H 19 8.260 8.396 -0.136 1
1 236 . 7 1 1 A 19 19 LEU HA H 19 4.010 3.982 0.028 1
1 246 . 7 1 1 A 19 19 LEU C C 19 178.200 178.959 -0.759 1
1 247 . 7 1 1 A 19 19 LEU CA C 19 58.100 57.957 0.143 1
1 248 . 7 1 1 A 19 19 LEU CB C 19 42.400 41.854 0.546 1
1 252 . 7 1 1 A 19 19 LEU N N 19 120.800 120.332 0.468 1
1 253 . 7 1 1 A 20 20 LEU H H 20 8.160 8.576 -0.416 1
1 254 . 7 1 1 A 20 20 LEU HA H 20 3.940 4.022 -0.082 1
1 264 . 7 1 1 A 20 20 LEU C C 20 180.100 179.393 0.707 1
1 265 . 7 1 1 A 20 20 LEU CA C 20 57.900 57.476 0.424 1
1 266 . 7 1 1 A 20 20 LEU CB C 20 40.800 40.705 0.095 1
1 270 . 7 1 1 A 20 20 LEU N N 20 117.300 117.512 -0.212 1
1 271 . 7 1 1 A 21 21 ASP H H 21 9.000 8.359 0.641 1
1 272 . 7 1 1 A 21 21 ASP HA H 21 4.420 4.365 0.055 1
1 275 . 7 1 1 A 21 21 ASP C C 21 179.000 178.516 0.484 1
1 276 . 7 1 1 A 21 21 ASP CA C 21 57.300 57.454 -0.154 1
1 277 . 7 1 1 A 21 21 ASP CB C 21 40.500 40.934 -0.434 1
1 278 . 7 1 1 A 21 21 ASP N N 21 120.000 121.044 -1.044 1
1 279 . 7 1 1 A 22 22 VAL H H 22 7.370 7.767 -0.397 1
1 280 . 7 1 1 A 22 22 VAL HA H 22 3.600 3.577 0.023 1
1 288 . 7 1 1 A 22 22 VAL C C 22 177.700 178.170 -0.470 1
1 289 . 7 1 1 A 22 22 VAL CA C 22 66.300 66.776 -0.476 1
1 290 . 7 1 1 A 22 22 VAL CB C 22 32.000 31.281 0.719 1
1 293 . 7 1 1 A 22 22 VAL N N 22 119.800 119.896 -0.096 1
1 294 . 7 1 1 A 23 23 LEU H H 23 6.880 7.832 -0.952 1
1 295 . 7 1 1 A 23 23 LEU HA H 23 3.880 3.920 -0.040 1
1 305 . 7 1 1 A 23 23 LEU C C 23 179.100 179.479 -0.379 1
1 306 . 7 1 1 A 23 23 LEU CA C 23 57.100 58.222 -1.122 1
1 307 . 7 1 1 A 23 23 LEU CB C 23 40.600 41.585 -0.985 1
1 311 . 7 1 1 A 23 23 LEU N N 23 116.500 119.088 -2.588 1
1 312 . 7 1 1 A 24 24 VAL H H 24 8.430 7.977 0.453 1
1 313 . 7 1 1 A 24 24 VAL HA H 24 3.780 3.688 0.092 1
1 321 . 7 1 1 A 24 24 VAL C C 24 180.800 177.619 3.181 1
1 322 . 7 1 1 A 24 24 VAL CA C 24 65.900 66.258 -0.358 1
1 323 . 7 1 1 A 24 24 VAL CB C 24 32.200 31.519 0.681 1
1 326 . 7 1 1 A 24 24 VAL N N 24 120.300 119.727 0.573 1
1 327 . 7 1 1 A 25 25 LYS H H 25 8.380 8.502 -0.122 1
1 328 . 7 1 1 A 25 25 LYS HA H 25 4.030 3.957 0.073 1
1 337 . 7 1 1 A 25 25 LYS C C 25 178.500 178.638 -0.138 1
1 338 . 7 1 1 A 25 25 LYS CA C 25 59.400 59.636 -0.236 1
1 339 . 7 1 1 A 25 25 LYS CB C 25 32.300 32.316 -0.016 1
1 343 . 7 1 1 A 25 25 LYS N N 25 121.900 120.093 1.807 1
1 344 . 7 1 1 A 26 26 GLU H H 26 7.360 7.954 -0.594 1
1 345 . 7 1 1 A 26 26 GLU HA H 26 4.330 4.420 -0.090 1
1 350 . 7 1 1 A 26 26 GLU C C 26 175.000 176.106 -1.106 1
1 351 . 7 1 1 A 26 26 GLU CA C 26 56.000 56.526 -0.526 1
1 352 . 7 1 1 A 26 26 GLU CB C 26 29.800 29.729 0.071 1
1 354 . 7 1 1 A 26 26 GLU N N 26 115.000 116.310 -1.310 1
1 355 . 7 1 1 A 27 27 GLU H H 27 7.980 8.119 -0.139 1
1 356 . 7 1 1 A 27 27 GLU HA H 27 3.950 4.028 -0.078 1
1 361 . 7 1 1 A 27 27 GLU C C 27 175.900 176.278 -0.378 1
1 362 . 7 1 1 A 27 27 GLU CA C 27 56.900 57.188 -0.288 1
1 363 . 7 1 1 A 27 27 GLU CB C 27 27.100 27.411 -0.311 1
1 365 . 7 1 1 A 27 27 GLU N N 27 116.300 118.560 -2.260 1
1 366 . 7 1 1 A 28 28 VAL H H 28 7.370 7.393 -0.023 1
1 367 . 7 1 1 A 28 28 VAL HA H 28 4.200 4.188 0.012 1
1 375 . 7 1 1 A 28 28 VAL C C 28 176.700 175.793 0.907 1
1 376 . 7 1 1 A 28 28 VAL CA C 28 61.600 61.291 0.309 1
1 377 . 7 1 1 A 28 28 VAL CB C 28 32.600 32.755 -0.155 1
1 380 . 7 1 1 A 28 28 VAL N N 28 112.200 117.959 -5.759 1
1 381 . 7 1 1 A 29 29 THR H H 29 7.400 8.763 -1.363 1
1 382 . 7 1 1 A 29 29 THR HA H 29 4.640 4.903 -0.263 1
1 387 . 7 1 1 A 29 29 THR CA C 29 59.900 60.091 -0.191 1
1 388 . 7 1 1 A 29 29 THR CB C 29 67.900 69.072 -1.172 1
1 390 . 7 1 1 A 29 29 THR N N 29 113.900 114.339 -0.439 1
1 391 . 7 1 1 A 30 30 PRO HA H 30 4.130 4.217 -0.087 1
1 398 . 7 1 1 A 30 30 PRO C C 30 177.600 178.385 -0.785 1
1 399 . 7 1 1 A 30 30 PRO CA C 30 66.300 65.808 0.492 1
1 400 . 7 1 1 A 30 30 PRO CB C 30 31.500 31.650 -0.150 1
1 403 . 7 1 1 A 31 31 ASP H H 31 8.390 8.422 -0.032 1
1 404 . 7 1 1 A 31 31 ASP HA H 31 4.240 4.328 -0.088 1
1 407 . 7 1 1 A 31 31 ASP C C 31 178.900 178.948 -0.048 1
1 408 . 7 1 1 A 31 31 ASP CA C 31 57.000 57.438 -0.438 1
1 409 . 7 1 1 A 31 31 ASP CB C 31 40.000 40.461 -0.461 1
1 410 . 7 1 1 A 31 31 ASP N N 31 113.200 117.344 -4.144 1
1 411 . 7 1 1 A 32 32 LEU H H 32 7.460 8.014 -0.554 1
1 412 . 7 1 1 A 32 32 LEU HA H 32 4.190 4.175 0.015 1
1 422 . 7 1 1 A 32 32 LEU C C 32 178.900 178.469 0.431 1
1 423 . 7 1 1 A 32 32 LEU CA C 32 57.000 57.835 -0.835 1
1 424 . 7 1 1 A 32 32 LEU CB C 32 41.300 41.374 -0.074 1
1 428 . 7 1 1 A 32 32 LEU N N 32 123.000 121.167 1.833 1
1 429 . 7 1 1 A 33 33 ALA H H 33 8.930 8.656 0.274 1
1 430 . 7 1 1 A 33 33 ALA HA H 33 3.730 4.170 -0.440 1
1 434 . 7 1 1 A 33 33 ALA C C 33 179.800 179.910 -0.110 1
1 435 . 7 1 1 A 33 33 ALA CA C 33 55.900 55.337 0.563 1
1 436 . 7 1 1 A 33 33 ALA CB C 33 19.100 18.409 0.691 1
1 437 . 7 1 1 A 33 33 ALA N N 33 122.700 121.140 1.560 1
1 438 . 7 1 1 A 34 34 LEU H H 34 8.420 8.312 0.108 1
1 439 . 7 1 1 A 34 34 LEU HA H 34 4.010 3.885 0.125 1
1 449 . 7 1 1 A 34 34 LEU C C 34 179.700 178.657 1.043 1
1 450 . 7 1 1 A 34 34 LEU CA C 34 58.200 58.100 0.100 1
1 451 . 7 1 1 A 34 34 LEU CB C 34 41.200 41.636 -0.436 1
1 455 . 7 1 1 A 34 34 LEU N N 34 115.800 117.891 -2.091 1
1 456 . 7 1 1 A 35 35 MET H H 35 7.730 8.447 -0.717 1
1 457 . 7 1 1 A 35 35 MET HA H 35 4.240 4.153 0.087 1
1 465 . 7 1 1 A 35 35 MET C C 35 179.500 178.129 1.371 1
1 466 . 7 1 1 A 35 35 MET CA C 35 59.300 58.535 0.765 1
1 467 . 7 1 1 A 35 35 MET CB C 35 32.900 32.149 0.751 1
1 470 . 7 1 1 A 35 35 MET N N 35 121.400 118.485 2.915 1
1 471 . 7 1 1 A 36 36 CYS H H 36 8.420 8.267 0.153 1
1 472 . 7 1 1 A 36 36 CYS HA H 36 3.950 4.145 -0.195 1
1 475 . 7 1 1 A 36 36 CYS C C 36 177.000 177.213 -0.213 1
1 476 . 7 1 1 A 36 36 CYS CA C 36 64.200 63.450 0.750 1
1 477 . 7 1 1 A 36 36 CYS CB C 36 27.200 27.700 -0.500 1
1 478 . 7 1 1 A 36 36 CYS N N 36 118.600 117.705 0.895 1
1 479 . 7 1 1 A 37 37 LEU H H 37 9.020 8.549 0.471 1
1 480 . 7 1 1 A 37 37 LEU HA H 37 3.940 3.981 -0.041 1
1 490 . 7 1 1 A 37 37 LEU C C 37 179.100 179.280 -0.180 1
1 491 . 7 1 1 A 37 37 LEU CA C 37 58.300 58.670 -0.370 1
1 492 . 7 1 1 A 37 37 LEU CB C 37 42.200 41.977 0.223 1
1 496 . 7 1 1 A 37 37 LEU N N 37 119.600 120.874 -1.274 1
1 497 . 7 1 1 A 38 38 GLY H H 38 8.940 8.811 0.129 1
1 498 . 7 1 1 A 38 38 GLY HA2 H 38 3.610 3.782 -0.172 1
1 499 . 7 1 1 A 38 38 GLY HA3 H 38 3.970 3.795 0.175 1
1 500 . 7 1 1 A 38 38 GLY C C 38 179.800 176.137 3.663 1
1 501 . 7 1 1 A 38 38 GLY CA C 38 47.900 47.469 0.431 1
1 502 . 7 1 1 A 38 38 GLY N N 38 106.600 105.830 0.770 1
1 503 . 7 1 1 A 39 39 ASN H H 39 7.790 7.625 0.165 1
1 504 . 7 1 1 A 39 39 ASN HA H 39 4.440 4.456 -0.016 1
1 509 . 7 1 1 A 39 39 ASN C C 39 178.000 177.818 0.182 1
1 510 . 7 1 1 A 39 39 ASN CA C 39 56.300 56.215 0.085 1
1 511 . 7 1 1 A 39 39 ASN CB C 39 39.500 38.129 1.371 1
1 513 . 7 1 1 A 39 39 ASN N N 39 120.900 120.345 0.555 1
1 515 . 7 1 1 A 40 40 ALA H H 40 8.260 7.754 0.506 1
1 516 . 7 1 1 A 40 40 ALA HA H 40 3.970 4.082 -0.112 1
1 520 . 7 1 1 A 40 40 ALA C C 40 178.200 179.758 -1.558 1
1 521 . 7 1 1 A 40 40 ALA CA C 40 55.900 55.164 0.736 1
1 522 . 7 1 1 A 40 40 ALA CB C 40 17.200 18.347 -1.147 1
1 523 . 7 1 1 A 40 40 ALA N N 40 123.900 123.108 0.792 1
1 524 . 7 1 1 A 41 41 VAL H H 41 8.410 8.330 0.080 1
1 525 . 7 1 1 A 41 41 VAL HA H 41 3.180 3.358 -0.178 1
1 533 . 7 1 1 A 41 41 VAL C C 41 177.800 178.360 -0.560 1
1 534 . 7 1 1 A 41 41 VAL CA C 41 67.000 66.970 0.030 1
1 535 . 7 1 1 A 41 41 VAL CB C 41 30.900 31.535 -0.635 1
1 538 . 7 1 1 A 41 41 VAL N N 41 116.900 117.895 -0.995 1
1 539 . 7 1 1 A 42 42 THR H H 42 8.210 8.214 -0.004 1
1 540 . 7 1 1 A 42 42 THR HA H 42 3.430 3.785 -0.355 1
1 545 . 7 1 1 A 42 42 THR C C 42 175.900 176.325 -0.425 1
1 546 . 7 1 1 A 42 42 THR CA C 42 67.500 66.890 0.610 1
1 547 . 7 1 1 A 42 42 THR CB C 42 68.000 68.509 -0.509 1
1 549 . 7 1 1 A 42 42 THR N N 42 114.800 115.248 -0.448 1
1 550 . 7 1 1 A 43 43 ASN H H 43 7.600 8.257 -0.657 1
1 551 . 7 1 1 A 43 43 ASN HA H 43 4.170 4.439 -0.269 1
1 556 . 7 1 1 A 43 43 ASN C C 43 177.300 177.487 -0.187 1
1 557 . 7 1 1 A 43 43 ASN CA C 43 57.000 56.480 0.520 1
1 558 . 7 1 1 A 43 43 ASN CB C 43 39.400 38.936 0.464 1
1 560 . 7 1 1 A 43 43 ASN N N 43 120.300 118.630 1.670 1
1 562 . 7 1 1 A 44 44 ILE H H 44 7.630 7.385 0.245 1
1 563 . 7 1 1 A 44 44 ILE HA H 44 3.770 3.914 -0.144 1
1 573 . 7 1 1 A 44 44 ILE C C 44 179.200 178.064 1.136 1
1 574 . 7 1 1 A 44 44 ILE CA C 44 62.100 62.942 -0.842 1
1 575 . 7 1 1 A 44 44 ILE CB C 44 35.700 37.943 -2.243 1
1 579 . 7 1 1 A 44 44 ILE N N 44 119.700 118.518 1.182 1
1 580 . 7 1 1 A 45 45 ILE H H 45 8.460 7.975 0.485 1
1 581 . 7 1 1 A 45 45 ILE HA H 45 3.550 3.695 -0.145 1
1 591 . 7 1 1 A 45 45 ILE C C 45 177.100 177.142 -0.042 1
1 592 . 7 1 1 A 45 45 ILE CA C 45 65.100 65.287 -0.187 1
1 593 . 7 1 1 A 45 45 ILE CB C 45 36.600 37.309 -0.709 1
1 597 . 7 1 1 A 45 45 ILE N N 45 120.300 121.231 -0.931 1
1 598 . 7 1 1 A 46 46 ALA H H 46 7.750 7.720 0.030 1
1 599 . 7 1 1 A 46 46 ALA HA H 46 3.950 4.127 -0.177 1
1 603 . 7 1 1 A 46 46 ALA C C 46 178.000 178.175 -0.175 1
1 604 . 7 1 1 A 46 46 ALA CA C 46 54.000 54.368 -0.368 1
1 605 . 7 1 1 A 46 46 ALA CB C 46 17.900 18.226 -0.326 1
1 606 . 7 1 1 A 46 46 ALA N N 46 120.000 122.968 -2.968 1
1 607 . 7 1 1 A 47 47 GLN H H 47 7.610 7.497 0.113 1
1 608 . 7 1 1 A 47 47 GLN HA H 47 4.190 4.355 -0.165 1
1 615 . 7 1 1 A 47 47 GLN C C 47 177.100 176.286 0.814 1
1 616 . 7 1 1 A 47 47 GLN CA C 47 56.000 56.665 -0.665 1
1 617 . 7 1 1 A 47 47 GLN CB C 47 29.000 29.491 -0.491 1
1 620 . 7 1 1 A 47 47 GLN N N 47 114.000 115.372 -1.372 1
1 622 . 7 1 1 A 48 48 VAL H H 48 7.740 7.477 0.263 1
1 623 . 7 1 1 A 48 48 VAL HA H 48 4.390 4.145 0.245 1
1 631 . 7 1 1 A 48 48 VAL CA C 48 59.900 60.600 -0.700 1
1 632 . 7 1 1 A 48 48 VAL CB C 48 31.900 32.272 -0.372 1
1 635 . 7 1 1 A 48 48 VAL N N 48 122.400 122.194 0.206 1
1 636 . 7 1 1 A 49 49 PRO HA H 49 4.340 4.482 -0.142 1
1 643 . 7 1 1 A 49 49 PRO C C 49 177.700 177.837 -0.137 1
1 644 . 7 1 1 A 49 49 PRO CA C 49 63.700 63.438 0.262 1
1 645 . 7 1 1 A 49 49 PRO CB C 49 32.300 32.349 -0.049 1
1 648 . 7 1 1 A 50 50 GLU H H 50 8.960 8.964 -0.004 1
1 649 . 7 1 1 A 50 50 GLU HA H 50 3.580 3.974 -0.394 1
1 654 . 7 1 1 A 50 50 GLU C C 50 178.300 178.305 -0.005 1
1 655 . 7 1 1 A 50 50 GLU CA C 50 60.800 59.598 1.202 1
1 656 . 7 1 1 A 50 50 GLU CB C 50 29.900 29.493 0.407 1
1 658 . 7 1 1 A 50 50 GLU N N 50 124.400 125.221 -0.821 1
1 659 . 7 1 1 A 51 51 SER H H 51 8.640 8.184 0.456 1
1 660 . 7 1 1 A 51 51 SER HA H 51 4.240 4.150 0.090 1
1 663 . 7 1 1 A 51 51 SER C C 51 175.200 175.027 0.173 1
1 664 . 7 1 1 A 51 51 SER CA C 51 60.600 61.057 -0.457 1
1 665 . 7 1 1 A 51 51 SER CB C 51 62.600 63.221 -0.621 1
1 666 . 7 1 1 A 51 51 SER N N 51 112.000 115.229 -3.229 1
1 667 . 7 1 1 A 52 52 LYS H H 52 7.950 8.395 -0.445 1
1 668 . 7 1 1 A 52 52 LYS HA H 52 4.650 4.516 0.134 1
1 677 . 7 1 1 A 52 52 LYS C C 52 176.700 178.034 -1.334 1
1 678 . 7 1 1 A 52 52 LYS CA C 52 55.500 56.246 -0.746 1
1 679 . 7 1 1 A 52 52 LYS CB C 52 34.000 33.033 0.967 1
1 683 . 7 1 1 A 52 52 LYS N N 52 119.600 117.521 2.079 1
1 684 . 7 1 1 A 53 53 ARG H H 53 7.290 7.774 -0.484 1
1 685 . 7 1 1 A 53 53 ARG HA H 53 3.530 4.129 -0.599 1
1 695 . 7 1 1 A 53 53 ARG C C 53 177.300 178.841 -1.541 1
1 696 . 7 1 1 A 53 53 ARG CA C 53 61.700 58.725 2.975 1
1 697 . 7 1 1 A 53 53 ARG CB C 53 30.800 29.936 0.864 1
1 700 . 7 1 1 A 53 53 ARG N N 53 119.000 120.883 -1.883 1
1 702 . 7 1 1 A 54 54 VAL H H 54 8.440 7.514 0.926 1
1 703 . 7 1 1 A 54 54 VAL HA H 54 3.460 3.660 -0.200 1
1 711 . 7 1 1 A 54 54 VAL C C 54 177.400 177.825 -0.425 1
1 712 . 7 1 1 A 54 54 VAL CA C 54 67.200 66.437 0.763 1
1 713 . 7 1 1 A 54 54 VAL CB C 54 31.000 31.573 -0.573 1
1 716 . 7 1 1 A 54 54 VAL N N 54 118.400 119.693 -1.293 1
1 717 . 7 1 1 A 55 55 ALA H H 55 8.120 8.080 0.040 1
1 718 . 7 1 1 A 55 55 ALA HA H 55 4.180 4.058 0.122 1
1 722 . 7 1 1 A 55 55 ALA C C 55 180.700 179.640 1.060 1
1 723 . 7 1 1 A 55 55 ALA CA C 55 55.000 55.404 -0.404 1
1 724 . 7 1 1 A 55 55 ALA CB C 55 17.900 18.463 -0.563 1
1 725 . 7 1 1 A 55 55 ALA N N 55 122.300 121.965 0.335 1
1 726 . 7 1 1 A 56 56 VAL H H 56 8.040 8.215 -0.175 1
1 727 . 7 1 1 A 56 56 VAL HA H 56 3.780 3.786 -0.006 1
1 735 . 7 1 1 A 56 56 VAL C C 56 179.400 178.109 1.291 1
1 736 . 7 1 1 A 56 56 VAL CA C 56 66.700 65.457 1.243 1
1 737 . 7 1 1 A 56 56 VAL CB C 56 31.400 31.574 -0.174 1
1 740 . 7 1 1 A 56 56 VAL N N 56 117.900 116.255 1.645 1
1 741 . 7 1 1 A 57 57 VAL H H 57 8.510 7.430 1.080 1
1 742 . 7 1 1 A 57 57 VAL HA H 57 3.760 3.860 -0.100 1
1 750 . 7 1 1 A 57 57 VAL C C 57 177.900 177.325 0.575 1
1 751 . 7 1 1 A 57 57 VAL CA C 57 66.700 65.163 1.537 1
1 752 . 7 1 1 A 57 57 VAL CB C 57 31.400 31.577 -0.177 1
1 755 . 7 1 1 A 57 57 VAL N N 57 121.600 122.379 -0.779 1
1 756 . 7 1 1 A 58 58 ASP H H 58 8.800 7.972 0.828 1
1 757 . 7 1 1 A 58 58 ASP HA H 58 4.420 4.701 -0.281 1
1 760 . 7 1 1 A 58 58 ASP C C 58 178.500 179.265 -0.765 1
1 761 . 7 1 1 A 58 58 ASP CA C 58 57.800 57.100 0.700 1
1 762 . 7 1 1 A 58 58 ASP CB C 58 40.000 40.418 -0.418 1
1 763 . 7 1 1 A 58 58 ASP N N 58 124.800 121.974 2.826 1
1 764 . 7 1 1 A 59 59 ASN H H 59 8.500 8.428 0.072 1
1 765 . 7 1 1 A 59 59 ASN HA H 59 4.460 4.424 0.036 1
1 770 . 7 1 1 A 59 59 ASN C C 59 177.700 178.045 -0.345 1
1 771 . 7 1 1 A 59 59 ASN CA C 59 56.500 55.956 0.544 1
1 772 . 7 1 1 A 59 59 ASN CB C 59 38.300 38.771 -0.471 1
1 774 . 7 1 1 A 59 59 ASN N N 59 118.800 118.602 0.198 1
1 776 . 7 1 1 A 60 60 PHE H H 60 8.540 8.428 0.112 1
1 777 . 7 1 1 A 60 60 PHE HA H 60 4.210 4.105 0.105 1
1 785 . 7 1 1 A 60 60 PHE C C 60 177.700 177.462 0.238 1
1 786 . 7 1 1 A 60 60 PHE CA C 60 61.600 61.642 -0.042 1
1 787 . 7 1 1 A 60 60 PHE CB C 60 39.800 39.188 0.612 1
1 793 . 7 1 1 A 60 60 PHE N N 60 121.800 122.292 -0.492 1
1 794 . 7 1 1 A 61 61 THR H H 61 8.820 8.555 0.265 1
1 795 . 7 1 1 A 61 61 THR HA H 61 3.820 3.982 -0.162 1
1 801 . 7 1 1 A 61 61 THR C C 61 176.700 176.610 0.090 1
1 802 . 7 1 1 A 61 61 THR CA C 61 66.200 66.278 -0.078 1
1 803 . 7 1 1 A 61 61 THR CB C 61 68.400 68.592 -0.192 1
1 805 . 7 1 1 A 61 61 THR N N 61 112.200 111.667 0.533 1
1 806 . 7 1 1 A 62 62 LYS H H 62 8.190 8.091 0.099 1
1 807 . 7 1 1 A 62 62 LYS HA H 62 4.010 3.970 0.040 1
1 816 . 7 1 1 A 62 62 LYS C C 62 179.100 178.431 0.669 1
1 817 . 7 1 1 A 62 62 LYS CA C 62 60.100 59.400 0.700 1
1 818 . 7 1 1 A 62 62 LYS CB C 62 32.500 32.324 0.176 1
1 822 . 7 1 1 A 62 62 LYS N N 62 124.000 122.136 1.864 1
1 823 . 7 1 1 A 63 63 ALA H H 63 7.800 8.108 -0.308 1
1 824 . 7 1 1 A 63 63 ALA HA H 63 4.070 4.087 -0.017 1
1 828 . 7 1 1 A 63 63 ALA C C 63 180.400 179.877 0.523 1
1 829 . 7 1 1 A 63 63 ALA CA C 63 54.700 55.109 -0.409 1
1 830 . 7 1 1 A 63 63 ALA CB C 63 17.800 17.829 -0.029 1
1 831 . 7 1 1 A 63 63 ALA N N 63 121.500 120.824 0.676 1
1 832 . 7 1 1 A 64 64 LEU H H 64 7.850 8.265 -0.415 1
1 833 . 7 1 1 A 64 64 LEU HA H 64 3.900 3.818 0.082 1
1 843 . 7 1 1 A 64 64 LEU C C 64 178.600 178.808 -0.208 1
1 844 . 7 1 1 A 64 64 LEU CA C 64 57.300 57.801 -0.501 1
1 845 . 7 1 1 A 64 64 LEU CB C 64 41.900 41.642 0.258 1
1 849 . 7 1 1 A 64 64 LEU N N 64 120.100 118.700 1.400 1
1 850 . 7 1 1 A 65 65 LYS H H 65 7.970 7.766 0.204 1
1 851 . 7 1 1 A 65 65 LYS HA H 65 3.730 4.000 -0.270 1
1 860 . 7 1 1 A 65 65 LYS C C 65 178.300 179.088 -0.788 1
1 861 . 7 1 1 A 65 65 LYS CA C 65 60.400 59.515 0.885 1
1 862 . 7 1 1 A 65 65 LYS CB C 65 31.900 31.906 -0.006 1
1 866 . 7 1 1 A 65 65 LYS N N 65 118.100 117.352 0.748 1
1 867 . 7 1 1 A 66 66 GLN H H 66 7.820 7.813 0.007 1
1 868 . 7 1 1 A 66 66 GLN HA H 66 3.950 4.048 -0.098 1
1 875 . 7 1 1 A 66 66 GLN C C 66 178.000 177.857 0.143 1
1 876 . 7 1 1 A 66 66 GLN CA C 66 58.700 58.687 0.013 1
1 877 . 7 1 1 A 66 66 GLN CB C 66 28.200 28.596 -0.396 1
1 880 . 7 1 1 A 66 66 GLN N N 66 116.800 120.120 -3.320 1
1 882 . 7 1 1 A 67 67 SER H H 67 8.060 8.412 -0.352 1
1 883 . 7 1 1 A 67 67 SER HA H 67 4.150 4.478 -0.328 1
1 886 . 7 1 1 A 67 67 SER C C 67 176.900 176.247 0.653 1
1 887 . 7 1 1 A 67 67 SER CA C 67 61.500 60.670 0.830 1
1 888 . 7 1 1 A 67 67 SER CB C 67 63.000 63.208 -0.208 1
1 889 . 7 1 1 A 67 67 SER N N 67 114.200 115.782 -1.582 1
1 890 . 7 1 1 A 68 68 VAL H H 68 7.860 7.401 0.459 1
1 891 . 7 1 1 A 68 68 VAL HA H 68 3.850 3.736 0.114 1
1 899 . 7 1 1 A 68 68 VAL C C 68 177.600 178.219 -0.619 1
1 900 . 7 1 1 A 68 68 VAL CA C 68 64.900 65.804 -0.904 1
1 901 . 7 1 1 A 68 68 VAL CB C 68 32.000 31.844 0.156 1
1 904 . 7 1 1 A 68 68 VAL N N 68 119.300 121.795 -2.495 1
1 905 . 7 1 1 A 69 69 LEU H H 69 7.880 7.703 0.177 1
1 906 . 7 1 1 A 69 69 LEU HA H 69 4.150 4.101 0.049 1
1 916 . 7 1 1 A 69 69 LEU C C 69 178.400 177.422 0.978 1
1 917 . 7 1 1 A 69 69 LEU CA C 69 56.500 57.815 -1.315 1
1 918 . 7 1 1 A 69 69 LEU CB C 69 41.800 41.762 0.038 1
1 922 . 7 1 1 A 69 69 LEU N N 69 119.800 119.212 0.588 1
1 923 . 7 1 1 A 70 70 GLU H H 70 7.820 7.694 0.126 1
1 924 . 7 1 1 A 70 70 GLU HA H 70 4.130 4.833 -0.703 1
1 929 . 7 1 1 A 70 70 GLU C C 70 176.700 175.327 1.373 1
1 930 . 7 1 1 A 70 70 GLU CA C 70 56.900 55.387 1.513 1
1 931 . 7 1 1 A 70 70 GLU CB C 70 29.800 30.637 -0.837 1
1 933 . 7 1 1 A 70 70 GLU N N 70 118.000 118.159 -0.159 1
1 934 . 7 1 1 A 71 71 HIS H H 71 7.950 8.834 -0.884 1
1 935 . 7 1 1 A 71 71 HIS HA H 71 4.460 4.828 -0.368 1
1 938 . 7 1 1 A 71 71 HIS C C 71 174.700 174.720 -0.020 1
1 939 . 7 1 1 A 71 71 HIS CA C 71 56.300 54.789 1.511 1
1 940 . 7 1 1 A 71 71 HIS CB C 71 28.800 29.896 -1.096 1
1 941 . 7 1 1 A 71 71 HIS N N 71 117.800 128.243 -10.443 1
1 942 . 7 1 1 A 72 72 HIS H H 72 8.260 8.038 0.222 1
1 943 . 7 1 1 A 72 72 HIS HA H 72 4.590 4.124 0.466 1
1 946 . 7 1 1 A 72 72 HIS C C 72 174.500 174.374 0.126 1
1 947 . 7 1 1 A 72 72 HIS CA C 72 55.700 56.644 -0.944 1
1 948 . 7 1 1 A 72 72 HIS CB C 72 29.600 28.035 1.565 1
1 949 . 7 1 1 A 72 72 HIS N N 72 119.100 118.831 0.269 1
1 950 . 7 1 1 A 73 73 HIS H H 73 8.420 8.313 0.107 1
1 951 . 7 1 1 A 73 73 HIS HA H 73 4.580 4.538 0.042 1
1 954 . 7 1 1 A 73 73 HIS C C 73 174.400 173.920 0.480 1
1 955 . 7 1 1 A 73 73 HIS CA C 73 55.500 54.722 0.778 1
1 956 . 7 1 1 A 73 73 HIS CB C 73 29.600 27.611 1.989 1
1 957 . 7 1 1 A 73 73 HIS N N 73 119.700 124.570 -4.870 1
1 958 . 7 1 1 A 74 74 HIS H H 74 8.470 8.706 -0.236 1
1 959 . 7 1 1 A 74 74 HIS HA H 74 4.570 4.688 -0.118 1
1 962 . 7 1 1 A 74 74 HIS C C 74 173.600 173.970 -0.370 1
1 963 . 7 1 1 A 74 74 HIS CA C 74 55.600 54.688 0.912 1
1 964 . 7 1 1 A 74 74 HIS CB C 74 29.500 29.879 -0.379 1
1 965 . 7 1 1 A 74 74 HIS N N 74 120.500 123.785 -3.285 1
1 966 . 7 1 1 A 75 75 HIS H H 75 8.290 8.707 -0.417 1
1 967 . 7 1 1 A 75 75 HIS HA H 75 4.400 4.166 0.234 1
1 970 . 7 1 1 A 75 75 HIS CA C 75 57.100 58.974 -1.874 1
1 971 . 7 1 1 A 75 75 HIS CB C 75 29.700 29.844 -0.144 1
1 1 . 8 1 1 A 2 2 PRO HA H 2 4.400 4.821 -0.421 1
1 8 . 8 1 1 A 2 2 PRO C C 2 172.300 176.213 -3.913 1
1 9 . 8 1 1 A 2 2 PRO CA C 2 62.200 62.462 -0.262 1
1 10 . 8 1 1 A 2 2 PRO CB C 2 32.600 31.817 0.783 1
1 13 . 8 1 1 A 3 3 ILE H H 3 8.630 8.503 0.127 1
1 14 . 8 1 1 A 3 3 ILE HA H 3 4.190 4.424 -0.234 1
1 24 . 8 1 1 A 3 3 ILE C C 3 176.100 176.036 0.064 1
1 25 . 8 1 1 A 3 3 ILE CA C 3 61.500 60.371 1.129 1
1 26 . 8 1 1 A 3 3 ILE CB C 3 38.600 37.104 1.496 1
1 30 . 8 1 1 A 3 3 ILE N N 3 120.700 124.124 -3.424 1
1 31 . 8 1 1 A 4 4 VAL H H 4 8.380 8.364 0.016 1
1 32 . 8 1 1 A 4 4 VAL HA H 4 4.140 4.081 0.059 1
1 40 . 8 1 1 A 4 4 VAL C C 4 175.800 174.443 1.357 1
1 41 . 8 1 1 A 4 4 VAL CA C 4 62.100 63.325 -1.225 1
1 42 . 8 1 1 A 4 4 VAL CB C 4 32.800 30.743 2.057 1
1 45 . 8 1 1 A 4 4 VAL N N 4 125.500 122.228 3.272 1
1 46 . 8 1 1 A 5 5 SER H H 5 8.450 8.493 -0.043 1
1 47 . 8 1 1 A 5 5 SER HA H 5 4.420 4.459 -0.039 1
1 50 . 8 1 1 A 5 5 SER C C 5 174.300 174.468 -0.168 1
1 51 . 8 1 1 A 5 5 SER CA C 5 57.900 56.506 1.394 1
1 52 . 8 1 1 A 5 5 SER CB C 5 64.000 64.528 -0.528 1
1 53 . 8 1 1 A 5 5 SER N N 5 120.500 120.498 0.002 1
1 54 . 8 1 1 A 6 6 LYS H H 6 8.330 8.592 -0.262 1
1 55 . 8 1 1 A 6 6 LYS HA H 6 4.150 4.039 0.111 1
1 64 . 8 1 1 A 6 6 LYS C C 6 176.000 176.074 -0.074 1
1 65 . 8 1 1 A 6 6 LYS CA C 6 56.800 58.258 -1.458 1
1 66 . 8 1 1 A 6 6 LYS CB C 6 33.000 32.508 0.492 1
1 70 . 8 1 1 A 6 6 LYS N N 6 123.400 124.682 -1.282 1
1 71 . 8 1 1 A 7 7 TYR H H 7 8.150 7.188 0.962 1
1 72 . 8 1 1 A 7 7 TYR HA H 7 4.640 4.692 -0.052 1
1 79 . 8 1 1 A 7 7 TYR C C 7 175.400 174.979 0.421 1
1 80 . 8 1 1 A 7 7 TYR CA C 7 56.700 57.191 -0.491 1
1 81 . 8 1 1 A 7 7 TYR CB C 7 39.300 38.674 0.626 1
1 86 . 8 1 1 A 7 7 TYR N N 7 120.000 117.078 2.922 1
1 87 . 8 1 1 A 8 8 SER H H 8 8.360 8.861 -0.501 1
1 88 . 8 1 1 A 8 8 SER HA H 8 4.400 4.560 -0.160 1
1 91 . 8 1 1 A 8 8 SER C C 8 174.700 175.357 -0.657 1
1 92 . 8 1 1 A 8 8 SER CA C 8 57.600 58.386 -0.786 1
1 93 . 8 1 1 A 8 8 SER CB C 8 64.000 63.729 0.271 1
1 94 . 8 1 1 A 8 8 SER N N 8 118.100 121.612 -3.512 1
1 95 . 8 1 1 A 9 9 ASN H H 9 8.900 9.055 -0.155 1
1 96 . 8 1 1 A 9 9 ASN HA H 9 4.400 4.369 0.031 1
1 101 . 8 1 1 A 9 9 ASN C C 9 176.800 177.264 -0.464 1
1 102 . 8 1 1 A 9 9 ASN CA C 9 55.900 57.075 -1.175 1
1 103 . 8 1 1 A 9 9 ASN CB C 9 38.300 38.908 -0.608 1
1 105 . 8 1 1 A 9 9 ASN N N 9 122.300 125.599 -3.299 1
1 107 . 8 1 1 A 10 10 GLU H H 10 8.740 8.326 0.414 1
1 108 . 8 1 1 A 10 10 GLU HA H 10 4.000 4.060 -0.060 1
1 113 . 8 1 1 A 10 10 GLU C C 10 178.500 179.358 -0.858 1
1 114 . 8 1 1 A 10 10 GLU CA C 10 59.900 59.177 0.723 1
1 115 . 8 1 1 A 10 10 GLU CB C 10 29.000 29.262 -0.262 1
1 117 . 8 1 1 A 10 10 GLU N N 10 119.000 117.800 1.200 1
1 118 . 8 1 1 A 11 11 ARG H H 11 7.750 7.985 -0.235 1
1 119 . 8 1 1 A 11 11 ARG HA H 11 4.070 4.175 -0.105 1
1 127 . 8 1 1 A 11 11 ARG C C 11 178.000 178.731 -0.731 1
1 128 . 8 1 1 A 11 11 ARG CA C 11 58.800 58.752 0.048 1
1 129 . 8 1 1 A 11 11 ARG CB C 11 30.100 29.991 0.109 1
1 132 . 8 1 1 A 11 11 ARG N N 11 121.500 121.070 0.430 1
1 134 . 8 1 1 A 12 12 VAL H H 12 7.830 8.419 -0.589 1
1 135 . 8 1 1 A 12 12 VAL HA H 12 3.420 3.547 -0.127 1
1 143 . 8 1 1 A 12 12 VAL C C 12 177.400 177.936 -0.536 1
1 144 . 8 1 1 A 12 12 VAL CA C 12 67.000 66.781 0.219 1
1 145 . 8 1 1 A 12 12 VAL CB C 12 32.100 31.460 0.640 1
1 148 . 8 1 1 A 12 12 VAL N N 12 118.800 119.918 -1.118 1
1 149 . 8 1 1 A 13 13 GLU H H 13 8.220 8.112 0.108 1
1 150 . 8 1 1 A 13 13 GLU HA H 13 3.890 3.944 -0.054 1
1 155 . 8 1 1 A 13 13 GLU C C 13 178.900 178.982 -0.082 1
1 156 . 8 1 1 A 13 13 GLU CA C 13 59.500 59.784 -0.284 1
1 157 . 8 1 1 A 13 13 GLU CB C 13 29.000 29.139 -0.139 1
1 159 . 8 1 1 A 13 13 GLU N N 13 116.800 120.151 -3.351 1
1 160 . 8 1 1 A 14 14 LYS H H 14 7.600 7.704 -0.104 1
1 161 . 8 1 1 A 14 14 LYS HA H 14 4.030 4.155 -0.125 1
1 170 . 8 1 1 A 14 14 LYS C C 14 177.700 179.090 -1.390 1
1 171 . 8 1 1 A 14 14 LYS CA C 14 59.100 58.357 0.743 1
1 172 . 8 1 1 A 14 14 LYS CB C 14 32.100 32.052 0.048 1
1 176 . 8 1 1 A 14 14 LYS N N 14 120.400 118.751 1.649 1
1 177 . 8 1 1 A 15 15 ILE H H 15 7.830 8.261 -0.431 1
1 178 . 8 1 1 A 15 15 ILE HA H 15 3.630 3.659 -0.029 1
1 188 . 8 1 1 A 15 15 ILE C C 15 178.200 178.237 -0.037 1
1 189 . 8 1 1 A 15 15 ILE CA C 15 65.700 65.578 0.122 1
1 190 . 8 1 1 A 15 15 ILE CB C 15 37.500 37.655 -0.155 1
1 194 . 8 1 1 A 15 15 ILE N N 15 119.700 120.354 -0.654 1
1 195 . 8 1 1 A 16 16 ILE H H 16 8.080 8.291 -0.211 1
1 196 . 8 1 1 A 16 16 ILE HA H 16 3.360 3.493 -0.133 1
1 206 . 8 1 1 A 16 16 ILE C C 16 177.500 178.103 -0.603 1
1 207 . 8 1 1 A 16 16 ILE CA C 16 66.600 65.330 1.270 1
1 208 . 8 1 1 A 16 16 ILE CB C 16 38.300 37.510 0.790 1
1 212 . 8 1 1 A 16 16 ILE N N 16 117.900 120.837 -2.937 1
1 213 . 8 1 1 A 17 17 GLN H H 17 8.010 8.317 -0.307 1
1 214 . 8 1 1 A 17 17 GLN HA H 17 3.830 3.905 -0.075 1
1 221 . 8 1 1 A 17 17 GLN C C 17 178.000 177.884 0.116 1
1 222 . 8 1 1 A 17 17 GLN CA C 17 58.400 59.424 -1.024 1
1 223 . 8 1 1 A 17 17 GLN CB C 17 28.100 28.174 -0.074 1
1 225 . 8 1 1 A 17 17 GLN N N 17 117.900 120.575 -2.675 1
1 227 . 8 1 1 A 18 18 ASP H H 18 8.710 8.811 -0.101 1
1 228 . 8 1 1 A 18 18 ASP HA H 18 4.400 4.344 0.056 1
1 231 . 8 1 1 A 18 18 ASP C C 18 179.800 178.657 1.143 1
1 232 . 8 1 1 A 18 18 ASP CA C 18 57.400 57.493 -0.093 1
1 233 . 8 1 1 A 18 18 ASP CB C 18 39.900 42.413 -2.513 1
1 234 . 8 1 1 A 18 18 ASP N N 18 121.000 120.041 0.959 1
1 235 . 8 1 1 A 19 19 LEU H H 19 8.260 7.971 0.289 1
1 236 . 8 1 1 A 19 19 LEU HA H 19 4.010 4.052 -0.042 1
1 246 . 8 1 1 A 19 19 LEU C C 19 178.200 179.339 -1.139 1
1 247 . 8 1 1 A 19 19 LEU CA C 19 58.100 58.002 0.098 1
1 248 . 8 1 1 A 19 19 LEU CB C 19 42.400 41.731 0.669 1
1 252 . 8 1 1 A 19 19 LEU N N 19 120.800 119.854 0.946 1
1 253 . 8 1 1 A 20 20 LEU H H 20 8.160 8.170 -0.010 1
1 254 . 8 1 1 A 20 20 LEU HA H 20 3.940 3.941 -0.001 1
1 264 . 8 1 1 A 20 20 LEU C C 20 180.100 179.118 0.982 1
1 265 . 8 1 1 A 20 20 LEU CA C 20 57.900 58.008 -0.108 1
1 266 . 8 1 1 A 20 20 LEU CB C 20 40.800 40.622 0.178 1
1 270 . 8 1 1 A 20 20 LEU N N 20 117.300 119.098 -1.798 1
1 271 . 8 1 1 A 21 21 ASP H H 21 9.000 8.555 0.445 1
1 272 . 8 1 1 A 21 21 ASP HA H 21 4.420 4.412 0.008 1
1 275 . 8 1 1 A 21 21 ASP C C 21 179.000 178.930 0.070 1
1 276 . 8 1 1 A 21 21 ASP CA C 21 57.300 57.518 -0.218 1
1 277 . 8 1 1 A 21 21 ASP CB C 21 40.500 40.774 -0.274 1
1 278 . 8 1 1 A 21 21 ASP N N 21 120.000 120.312 -0.312 1
1 279 . 8 1 1 A 22 22 VAL H H 22 7.370 7.746 -0.376 1
1 280 . 8 1 1 A 22 22 VAL HA H 22 3.600 3.564 0.036 1
1 288 . 8 1 1 A 22 22 VAL C C 22 177.700 178.153 -0.453 1
1 289 . 8 1 1 A 22 22 VAL CA C 22 66.300 66.545 -0.245 1
1 290 . 8 1 1 A 22 22 VAL CB C 22 32.000 31.523 0.477 1
1 293 . 8 1 1 A 22 22 VAL N N 22 119.800 120.149 -0.349 1
1 294 . 8 1 1 A 23 23 LEU H H 23 6.880 8.152 -1.272 1
1 295 . 8 1 1 A 23 23 LEU HA H 23 3.880 4.006 -0.126 1
1 305 . 8 1 1 A 23 23 LEU C C 23 179.100 179.501 -0.401 1
1 306 . 8 1 1 A 23 23 LEU CA C 23 57.100 58.115 -1.015 1
1 307 . 8 1 1 A 23 23 LEU CB C 23 40.600 41.791 -1.191 1
1 311 . 8 1 1 A 23 23 LEU N N 23 116.500 119.262 -2.762 1
1 312 . 8 1 1 A 24 24 VAL H H 24 8.430 8.178 0.252 1
1 313 . 8 1 1 A 24 24 VAL HA H 24 3.780 3.864 -0.084 1
1 321 . 8 1 1 A 24 24 VAL C C 24 180.800 177.869 2.931 1
1 322 . 8 1 1 A 24 24 VAL CA C 24 65.900 64.863 1.037 1
1 323 . 8 1 1 A 24 24 VAL CB C 24 32.200 31.567 0.633 1
1 326 . 8 1 1 A 24 24 VAL N N 24 120.300 119.062 1.238 1
1 327 . 8 1 1 A 25 25 LYS H H 25 8.380 7.815 0.565 1
1 328 . 8 1 1 A 25 25 LYS HA H 25 4.030 3.917 0.113 1
1 337 . 8 1 1 A 25 25 LYS C C 25 178.500 178.805 -0.305 1
1 338 . 8 1 1 A 25 25 LYS CA C 25 59.400 60.016 -0.616 1
1 339 . 8 1 1 A 25 25 LYS CB C 25 32.300 31.942 0.358 1
1 343 . 8 1 1 A 25 25 LYS N N 25 121.900 122.355 -0.455 1
1 344 . 8 1 1 A 26 26 GLU H H 26 7.360 7.946 -0.586 1
1 345 . 8 1 1 A 26 26 GLU HA H 26 4.330 4.349 -0.019 1
1 350 . 8 1 1 A 26 26 GLU C C 26 175.000 176.040 -1.040 1
1 351 . 8 1 1 A 26 26 GLU CA C 26 56.000 56.527 -0.527 1
1 352 . 8 1 1 A 26 26 GLU CB C 26 29.800 30.179 -0.379 1
1 354 . 8 1 1 A 26 26 GLU N N 26 115.000 116.531 -1.531 1
1 355 . 8 1 1 A 27 27 GLU H H 27 7.980 7.985 -0.005 1
1 356 . 8 1 1 A 27 27 GLU HA H 27 3.950 3.831 0.119 1
1 361 . 8 1 1 A 27 27 GLU C C 27 175.900 175.099 0.801 1
1 362 . 8 1 1 A 27 27 GLU CA C 27 56.900 57.500 -0.600 1
1 363 . 8 1 1 A 27 27 GLU CB C 27 27.100 27.470 -0.370 1
1 365 . 8 1 1 A 27 27 GLU N N 27 116.300 117.377 -1.077 1
1 366 . 8 1 1 A 28 28 VAL H H 28 7.370 7.372 -0.002 1
1 367 . 8 1 1 A 28 28 VAL HA H 28 4.200 4.193 0.007 1
1 375 . 8 1 1 A 28 28 VAL C C 28 176.700 175.970 0.730 1
1 376 . 8 1 1 A 28 28 VAL CA C 28 61.600 61.910 -0.310 1
1 377 . 8 1 1 A 28 28 VAL CB C 28 32.600 32.638 -0.038 1
1 380 . 8 1 1 A 28 28 VAL N N 28 112.200 115.619 -3.419 1
1 381 . 8 1 1 A 29 29 THR H H 29 7.400 8.898 -1.498 1
1 382 . 8 1 1 A 29 29 THR HA H 29 4.640 5.058 -0.418 1
1 387 . 8 1 1 A 29 29 THR CA C 29 59.900 59.801 0.099 1
1 388 . 8 1 1 A 29 29 THR CB C 29 67.900 69.265 -1.365 1
1 390 . 8 1 1 A 29 29 THR N N 29 113.900 114.791 -0.891 1
1 391 . 8 1 1 A 30 30 PRO HA H 30 4.130 4.203 -0.073 1
1 398 . 8 1 1 A 30 30 PRO C C 30 177.600 178.681 -1.081 1
1 399 . 8 1 1 A 30 30 PRO CA C 30 66.300 66.100 0.200 1
1 400 . 8 1 1 A 30 30 PRO CB C 30 31.500 31.476 0.024 1
1 403 . 8 1 1 A 31 31 ASP H H 31 8.390 8.450 -0.060 1
1 404 . 8 1 1 A 31 31 ASP HA H 31 4.240 4.329 -0.089 1
1 407 . 8 1 1 A 31 31 ASP C C 31 178.900 178.894 0.006 1
1 408 . 8 1 1 A 31 31 ASP CA C 31 57.000 57.192 -0.192 1
1 409 . 8 1 1 A 31 31 ASP CB C 31 40.000 40.377 -0.377 1
1 410 . 8 1 1 A 31 31 ASP N N 31 113.200 117.358 -4.158 1
1 411 . 8 1 1 A 32 32 LEU H H 32 7.460 8.096 -0.636 1
1 412 . 8 1 1 A 32 32 LEU HA H 32 4.190 4.146 0.044 1
1 422 . 8 1 1 A 32 32 LEU C C 32 178.900 178.435 0.465 1
1 423 . 8 1 1 A 32 32 LEU CA C 32 57.000 57.794 -0.794 1
1 424 . 8 1 1 A 32 32 LEU CB C 32 41.300 41.323 -0.023 1
1 428 . 8 1 1 A 32 32 LEU N N 32 123.000 121.898 1.102 1
1 429 . 8 1 1 A 33 33 ALA H H 33 8.930 8.818 0.112 1
1 430 . 8 1 1 A 33 33 ALA HA H 33 3.730 4.141 -0.411 1
1 434 . 8 1 1 A 33 33 ALA C C 33 179.800 179.954 -0.154 1
1 435 . 8 1 1 A 33 33 ALA CA C 33 55.900 55.366 0.534 1
1 436 . 8 1 1 A 33 33 ALA CB C 33 19.100 18.414 0.686 1
1 437 . 8 1 1 A 33 33 ALA N N 33 122.700 121.183 1.517 1
1 438 . 8 1 1 A 34 34 LEU H H 34 8.420 8.376 0.044 1
1 439 . 8 1 1 A 34 34 LEU HA H 34 4.010 3.923 0.087 1
1 449 . 8 1 1 A 34 34 LEU C C 34 179.700 179.168 0.532 1
1 450 . 8 1 1 A 34 34 LEU CA C 34 58.200 57.959 0.241 1
1 451 . 8 1 1 A 34 34 LEU CB C 34 41.200 41.550 -0.350 1
1 455 . 8 1 1 A 34 34 LEU N N 34 115.800 118.233 -2.433 1
1 456 . 8 1 1 A 35 35 MET H H 35 7.730 8.360 -0.630 1
1 457 . 8 1 1 A 35 35 MET HA H 35 4.240 4.167 0.073 1
1 465 . 8 1 1 A 35 35 MET C C 35 179.500 178.125 1.375 1
1 466 . 8 1 1 A 35 35 MET CA C 35 59.300 58.535 0.765 1
1 467 . 8 1 1 A 35 35 MET CB C 35 32.900 32.369 0.531 1
1 470 . 8 1 1 A 35 35 MET N N 35 121.400 118.309 3.091 1
1 471 . 8 1 1 A 36 36 CYS H H 36 8.420 8.401 0.019 1
1 472 . 8 1 1 A 36 36 CYS HA H 36 3.950 4.139 -0.189 1
1 475 . 8 1 1 A 36 36 CYS C C 36 177.000 177.154 -0.154 1
1 476 . 8 1 1 A 36 36 CYS CA C 36 64.200 63.575 0.625 1
1 477 . 8 1 1 A 36 36 CYS CB C 36 27.200 27.787 -0.587 1
1 478 . 8 1 1 A 36 36 CYS N N 36 118.600 117.760 0.840 1
1 479 . 8 1 1 A 37 37 LEU H H 37 9.020 8.858 0.162 1
1 480 . 8 1 1 A 37 37 LEU HA H 37 3.940 3.991 -0.051 1
1 490 . 8 1 1 A 37 37 LEU C C 37 179.100 179.197 -0.097 1
1 491 . 8 1 1 A 37 37 LEU CA C 37 58.300 58.619 -0.319 1
1 492 . 8 1 1 A 37 37 LEU CB C 37 42.200 41.891 0.309 1
1 496 . 8 1 1 A 37 37 LEU N N 37 119.600 120.888 -1.288 1
1 497 . 8 1 1 A 38 38 GLY H H 38 8.940 8.678 0.262 1
1 498 . 8 1 1 A 38 38 GLY HA2 H 38 3.610 3.760 -0.150 1
1 499 . 8 1 1 A 38 38 GLY HA3 H 38 3.970 3.772 0.198 1
1 500 . 8 1 1 A 38 38 GLY C C 38 179.800 175.946 3.854 1
1 501 . 8 1 1 A 38 38 GLY CA C 38 47.900 47.474 0.426 1
1 502 . 8 1 1 A 38 38 GLY N N 38 106.600 105.788 0.812 1
1 503 . 8 1 1 A 39 39 ASN H H 39 7.790 7.651 0.139 1
1 504 . 8 1 1 A 39 39 ASN HA H 39 4.440 4.474 -0.034 1
1 509 . 8 1 1 A 39 39 ASN C C 39 178.000 177.837 0.163 1
1 510 . 8 1 1 A 39 39 ASN CA C 39 56.300 56.254 0.046 1
1 511 . 8 1 1 A 39 39 ASN CB C 39 39.500 38.292 1.208 1
1 513 . 8 1 1 A 39 39 ASN N N 39 120.900 120.064 0.836 1
1 515 . 8 1 1 A 40 40 ALA H H 40 8.260 7.620 0.640 1
1 516 . 8 1 1 A 40 40 ALA HA H 40 3.970 4.073 -0.103 1
1 520 . 8 1 1 A 40 40 ALA C C 40 178.200 179.737 -1.537 1
1 521 . 8 1 1 A 40 40 ALA CA C 40 55.900 55.128 0.772 1
1 522 . 8 1 1 A 40 40 ALA CB C 40 17.200 18.408 -1.208 1
1 523 . 8 1 1 A 40 40 ALA N N 40 123.900 123.594 0.306 1
1 524 . 8 1 1 A 41 41 VAL H H 41 8.410 8.449 -0.039 1
1 525 . 8 1 1 A 41 41 VAL HA H 41 3.180 3.334 -0.154 1
1 533 . 8 1 1 A 41 41 VAL C C 41 177.800 178.608 -0.808 1
1 534 . 8 1 1 A 41 41 VAL CA C 41 67.000 66.985 0.015 1
1 535 . 8 1 1 A 41 41 VAL CB C 41 30.900 31.435 -0.535 1
1 538 . 8 1 1 A 41 41 VAL N N 41 116.900 118.295 -1.395 1
1 539 . 8 1 1 A 42 42 THR H H 42 8.210 8.109 0.101 1
1 540 . 8 1 1 A 42 42 THR HA H 42 3.430 3.789 -0.359 1
1 545 . 8 1 1 A 42 42 THR C C 42 175.900 176.217 -0.317 1
1 546 . 8 1 1 A 42 42 THR CA C 42 67.500 67.239 0.261 1
1 547 . 8 1 1 A 42 42 THR CB C 42 68.000 68.439 -0.439 1
1 549 . 8 1 1 A 42 42 THR N N 42 114.800 117.043 -2.243 1
1 550 . 8 1 1 A 43 43 ASN H H 43 7.600 7.989 -0.389 1
1 551 . 8 1 1 A 43 43 ASN HA H 43 4.170 4.350 -0.180 1
1 556 . 8 1 1 A 43 43 ASN C C 43 177.300 177.795 -0.495 1
1 557 . 8 1 1 A 43 43 ASN CA C 43 57.000 56.735 0.265 1
1 558 . 8 1 1 A 43 43 ASN CB C 43 39.400 39.154 0.246 1
1 560 . 8 1 1 A 43 43 ASN N N 43 120.300 119.297 1.003 1
1 562 . 8 1 1 A 44 44 ILE H H 44 7.630 7.433 0.197 1
1 563 . 8 1 1 A 44 44 ILE HA H 44 3.770 3.628 0.142 1
1 573 . 8 1 1 A 44 44 ILE C C 44 179.200 178.460 0.740 1
1 574 . 8 1 1 A 44 44 ILE CA C 44 62.100 65.273 -3.173 1
1 575 . 8 1 1 A 44 44 ILE CB C 44 35.700 37.636 -1.936 1
1 579 . 8 1 1 A 44 44 ILE N N 44 119.700 119.036 0.664 1
1 580 . 8 1 1 A 45 45 ILE H H 45 8.460 8.355 0.105 1
1 581 . 8 1 1 A 45 45 ILE HA H 45 3.550 3.717 -0.167 1
1 591 . 8 1 1 A 45 45 ILE C C 45 177.100 178.698 -1.598 1
1 592 . 8 1 1 A 45 45 ILE CA C 45 65.100 65.015 0.085 1
1 593 . 8 1 1 A 45 45 ILE CB C 45 36.600 36.659 -0.059 1
1 597 . 8 1 1 A 45 45 ILE N N 45 120.300 119.206 1.094 1
1 598 . 8 1 1 A 46 46 ALA H H 46 7.750 8.081 -0.331 1
1 599 . 8 1 1 A 46 46 ALA HA H 46 3.950 4.014 -0.064 1
1 603 . 8 1 1 A 46 46 ALA C C 46 178.000 178.744 -0.744 1
1 604 . 8 1 1 A 46 46 ALA CA C 46 54.000 54.566 -0.566 1
1 605 . 8 1 1 A 46 46 ALA CB C 46 17.900 18.081 -0.181 1
1 606 . 8 1 1 A 46 46 ALA N N 46 120.000 122.855 -2.855 1
1 607 . 8 1 1 A 47 47 GLN H H 47 7.610 7.383 0.227 1
1 608 . 8 1 1 A 47 47 GLN HA H 47 4.190 4.354 -0.164 1
1 615 . 8 1 1 A 47 47 GLN C C 47 177.100 176.239 0.861 1
1 616 . 8 1 1 A 47 47 GLN CA C 47 56.000 56.384 -0.384 1
1 617 . 8 1 1 A 47 47 GLN CB C 47 29.000 29.417 -0.417 1
1 620 . 8 1 1 A 47 47 GLN N N 47 114.000 114.819 -0.819 1
1 622 . 8 1 1 A 48 48 VAL H H 48 7.740 7.592 0.148 1
1 623 . 8 1 1 A 48 48 VAL HA H 48 4.390 4.143 0.247 1
1 631 . 8 1 1 A 48 48 VAL CA C 48 59.900 60.770 -0.870 1
1 632 . 8 1 1 A 48 48 VAL CB C 48 31.900 32.282 -0.382 1
1 635 . 8 1 1 A 48 48 VAL N N 48 122.400 122.451 -0.051 1
1 636 . 8 1 1 A 49 49 PRO HA H 49 4.340 4.518 -0.178 1
1 643 . 8 1 1 A 49 49 PRO C C 49 177.700 177.785 -0.085 1
1 644 . 8 1 1 A 49 49 PRO CA C 49 63.700 62.755 0.945 1
1 645 . 8 1 1 A 49 49 PRO CB C 49 32.300 32.493 -0.193 1
1 648 . 8 1 1 A 50 50 GLU H H 50 8.960 9.027 -0.067 1
1 649 . 8 1 1 A 50 50 GLU HA H 50 3.580 3.966 -0.386 1
1 654 . 8 1 1 A 50 50 GLU C C 50 178.300 178.281 0.019 1
1 655 . 8 1 1 A 50 50 GLU CA C 50 60.800 59.582 1.218 1
1 656 . 8 1 1 A 50 50 GLU CB C 50 29.900 29.427 0.473 1
1 658 . 8 1 1 A 50 50 GLU N N 50 124.400 124.503 -0.103 1
1 659 . 8 1 1 A 51 51 SER H H 51 8.640 8.208 0.432 1
1 660 . 8 1 1 A 51 51 SER HA H 51 4.240 4.153 0.087 1
1 663 . 8 1 1 A 51 51 SER C C 51 175.200 175.233 -0.033 1
1 664 . 8 1 1 A 51 51 SER CA C 51 60.600 61.376 -0.776 1
1 665 . 8 1 1 A 51 51 SER CB C 51 62.600 63.082 -0.482 1
1 666 . 8 1 1 A 51 51 SER N N 51 112.000 114.805 -2.805 1
1 667 . 8 1 1 A 52 52 LYS H H 52 7.950 7.929 0.021 1
1 668 . 8 1 1 A 52 52 LYS HA H 52 4.650 4.510 0.140 1
1 677 . 8 1 1 A 52 52 LYS C C 52 176.700 178.221 -1.521 1
1 678 . 8 1 1 A 52 52 LYS CA C 52 55.500 56.266 -0.766 1
1 679 . 8 1 1 A 52 52 LYS CB C 52 34.000 33.226 0.774 1
1 683 . 8 1 1 A 52 52 LYS N N 52 119.600 117.895 1.705 1
1 684 . 8 1 1 A 53 53 ARG H H 53 7.290 7.714 -0.424 1
1 685 . 8 1 1 A 53 53 ARG HA H 53 3.530 4.100 -0.570 1
1 695 . 8 1 1 A 53 53 ARG C C 53 177.300 178.661 -1.361 1
1 696 . 8 1 1 A 53 53 ARG CA C 53 61.700 58.543 3.157 1
1 697 . 8 1 1 A 53 53 ARG CB C 53 30.800 29.990 0.810 1
1 700 . 8 1 1 A 53 53 ARG N N 53 119.000 120.903 -1.903 1
1 702 . 8 1 1 A 54 54 VAL H H 54 8.440 7.694 0.746 1
1 703 . 8 1 1 A 54 54 VAL HA H 54 3.460 3.805 -0.345 1
1 711 . 8 1 1 A 54 54 VAL C C 54 177.400 177.828 -0.428 1
1 712 . 8 1 1 A 54 54 VAL CA C 54 67.200 65.499 1.701 1
1 713 . 8 1 1 A 54 54 VAL CB C 54 31.000 31.066 -0.066 1
1 716 . 8 1 1 A 54 54 VAL N N 54 118.400 119.946 -1.546 1
1 717 . 8 1 1 A 55 55 ALA H H 55 8.120 8.037 0.083 1
1 718 . 8 1 1 A 55 55 ALA HA H 55 4.180 4.103 0.077 1
1 722 . 8 1 1 A 55 55 ALA C C 55 180.700 179.655 1.045 1
1 723 . 8 1 1 A 55 55 ALA CA C 55 55.000 55.146 -0.146 1
1 724 . 8 1 1 A 55 55 ALA CB C 55 17.900 18.216 -0.316 1
1 725 . 8 1 1 A 55 55 ALA N N 55 122.300 122.665 -0.365 1
1 726 . 8 1 1 A 56 56 VAL H H 56 8.040 8.061 -0.021 1
1 727 . 8 1 1 A 56 56 VAL HA H 56 3.780 3.752 0.028 1
1 735 . 8 1 1 A 56 56 VAL C C 56 179.400 178.063 1.337 1
1 736 . 8 1 1 A 56 56 VAL CA C 56 66.700 65.513 1.187 1
1 737 . 8 1 1 A 56 56 VAL CB C 56 31.400 31.686 -0.286 1
1 740 . 8 1 1 A 56 56 VAL N N 56 117.900 117.110 0.790 1
1 741 . 8 1 1 A 57 57 VAL H H 57 8.510 7.486 1.024 1
1 742 . 8 1 1 A 57 57 VAL HA H 57 3.760 3.848 -0.088 1
1 750 . 8 1 1 A 57 57 VAL C C 57 177.900 177.333 0.567 1
1 751 . 8 1 1 A 57 57 VAL CA C 57 66.700 65.085 1.615 1
1 752 . 8 1 1 A 57 57 VAL CB C 57 31.400 31.355 0.045 1
1 755 . 8 1 1 A 57 57 VAL N N 57 121.600 122.902 -1.302 1
1 756 . 8 1 1 A 58 58 ASP H H 58 8.800 8.107 0.693 1
1 757 . 8 1 1 A 58 58 ASP HA H 58 4.420 4.383 0.037 1
1 760 . 8 1 1 A 58 58 ASP C C 58 178.500 178.445 0.055 1
1 761 . 8 1 1 A 58 58 ASP CA C 58 57.800 57.765 0.035 1
1 762 . 8 1 1 A 58 58 ASP CB C 58 40.000 41.287 -1.287 1
1 763 . 8 1 1 A 58 58 ASP N N 58 124.800 123.555 1.245 1
1 764 . 8 1 1 A 59 59 ASN H H 59 8.500 8.361 0.139 1
1 765 . 8 1 1 A 59 59 ASN HA H 59 4.460 4.430 0.030 1
1 770 . 8 1 1 A 59 59 ASN C C 59 177.700 178.014 -0.314 1
1 771 . 8 1 1 A 59 59 ASN CA C 59 56.500 56.426 0.074 1
1 772 . 8 1 1 A 59 59 ASN CB C 59 38.300 37.816 0.484 1
1 774 . 8 1 1 A 59 59 ASN N N 59 118.800 118.138 0.662 1
1 776 . 8 1 1 A 60 60 PHE H H 60 8.540 8.311 0.229 1
1 777 . 8 1 1 A 60 60 PHE HA H 60 4.210 4.099 0.111 1
1 785 . 8 1 1 A 60 60 PHE C C 60 177.700 177.568 0.132 1
1 786 . 8 1 1 A 60 60 PHE CA C 60 61.600 61.636 -0.036 1
1 787 . 8 1 1 A 60 60 PHE CB C 60 39.800 39.159 0.641 1
1 793 . 8 1 1 A 60 60 PHE N N 60 121.800 122.509 -0.709 1
1 794 . 8 1 1 A 61 61 THR H H 61 8.820 8.645 0.175 1
1 795 . 8 1 1 A 61 61 THR HA H 61 3.820 4.000 -0.180 1
1 801 . 8 1 1 A 61 61 THR C C 61 176.700 176.650 0.050 1
1 802 . 8 1 1 A 61 61 THR CA C 61 66.200 66.230 -0.030 1
1 803 . 8 1 1 A 61 61 THR CB C 61 68.400 68.645 -0.245 1
1 805 . 8 1 1 A 61 61 THR N N 61 112.200 111.628 0.572 1
1 806 . 8 1 1 A 62 62 LYS H H 62 8.190 8.137 0.053 1
1 807 . 8 1 1 A 62 62 LYS HA H 62 4.010 3.950 0.060 1
1 816 . 8 1 1 A 62 62 LYS C C 62 179.100 178.522 0.578 1
1 817 . 8 1 1 A 62 62 LYS CA C 62 60.100 59.358 0.742 1
1 818 . 8 1 1 A 62 62 LYS CB C 62 32.500 32.329 0.171 1
1 822 . 8 1 1 A 62 62 LYS N N 62 124.000 121.934 2.066 1
1 823 . 8 1 1 A 63 63 ALA H H 63 7.800 8.157 -0.357 1
1 824 . 8 1 1 A 63 63 ALA HA H 63 4.070 4.030 0.040 1
1 828 . 8 1 1 A 63 63 ALA C C 63 180.400 179.932 0.468 1
1 829 . 8 1 1 A 63 63 ALA CA C 63 54.700 55.011 -0.311 1
1 830 . 8 1 1 A 63 63 ALA CB C 63 17.800 18.051 -0.251 1
1 831 . 8 1 1 A 63 63 ALA N N 63 121.500 120.723 0.777 1
1 832 . 8 1 1 A 64 64 LEU H H 64 7.850 8.103 -0.253 1
1 833 . 8 1 1 A 64 64 LEU HA H 64 3.900 3.762 0.138 1
1 843 . 8 1 1 A 64 64 LEU C C 64 178.600 178.894 -0.294 1
1 844 . 8 1 1 A 64 64 LEU CA C 64 57.300 58.063 -0.763 1
1 845 . 8 1 1 A 64 64 LEU CB C 64 41.900 41.795 0.105 1
1 849 . 8 1 1 A 64 64 LEU N N 64 120.100 118.554 1.546 1
1 850 . 8 1 1 A 65 65 LYS H H 65 7.970 7.764 0.206 1
1 851 . 8 1 1 A 65 65 LYS HA H 65 3.730 3.884 -0.154 1
1 860 . 8 1 1 A 65 65 LYS C C 65 178.300 179.157 -0.857 1
1 861 . 8 1 1 A 65 65 LYS CA C 65 60.400 60.217 0.183 1
1 862 . 8 1 1 A 65 65 LYS CB C 65 31.900 31.941 -0.041 1
1 866 . 8 1 1 A 65 65 LYS N N 65 118.100 117.357 0.743 1
1 867 . 8 1 1 A 66 66 GLN H H 66 7.820 7.997 -0.177 1
1 868 . 8 1 1 A 66 66 GLN HA H 66 3.950 4.094 -0.144 1
1 875 . 8 1 1 A 66 66 GLN C C 66 178.000 178.029 -0.029 1
1 876 . 8 1 1 A 66 66 GLN CA C 66 58.700 58.857 -0.157 1
1 877 . 8 1 1 A 66 66 GLN CB C 66 28.200 28.758 -0.558 1
1 880 . 8 1 1 A 66 66 GLN N N 66 116.800 120.195 -3.395 1
1 882 . 8 1 1 A 67 67 SER H H 67 8.060 8.106 -0.046 1
1 883 . 8 1 1 A 67 67 SER HA H 67 4.150 4.269 -0.119 1
1 886 . 8 1 1 A 67 67 SER C C 67 176.900 176.482 0.418 1
1 887 . 8 1 1 A 67 67 SER CA C 67 61.500 61.962 -0.462 1
1 888 . 8 1 1 A 67 67 SER CB C 67 63.000 63.220 -0.220 1
1 889 . 8 1 1 A 67 67 SER N N 67 114.200 117.340 -3.140 1
1 890 . 8 1 1 A 68 68 VAL H H 68 7.860 7.803 0.057 1
1 891 . 8 1 1 A 68 68 VAL HA H 68 3.850 3.657 0.193 1
1 899 . 8 1 1 A 68 68 VAL C C 68 177.600 178.255 -0.655 1
1 900 . 8 1 1 A 68 68 VAL CA C 68 64.900 66.717 -1.817 1
1 901 . 8 1 1 A 68 68 VAL CB C 68 32.000 31.540 0.460 1
1 904 . 8 1 1 A 68 68 VAL N N 68 119.300 122.196 -2.896 1
1 905 . 8 1 1 A 69 69 LEU H H 69 7.880 8.411 -0.531 1
1 906 . 8 1 1 A 69 69 LEU HA H 69 4.150 3.913 0.237 1
1 916 . 8 1 1 A 69 69 LEU C C 69 178.400 179.972 -1.572 1
1 917 . 8 1 1 A 69 69 LEU CA C 69 56.500 58.061 -1.561 1
1 918 . 8 1 1 A 69 69 LEU CB C 69 41.800 40.763 1.037 1
1 922 . 8 1 1 A 69 69 LEU N N 69 119.800 119.460 0.340 1
1 923 . 8 1 1 A 70 70 GLU H H 70 7.820 7.791 0.029 1
1 924 . 8 1 1 A 70 70 GLU HA H 70 4.130 4.137 -0.007 1
1 929 . 8 1 1 A 70 70 GLU C C 70 176.700 178.342 -1.642 1
1 930 . 8 1 1 A 70 70 GLU CA C 70 56.900 59.129 -2.229 1
1 931 . 8 1 1 A 70 70 GLU CB C 70 29.800 29.541 0.259 1
1 933 . 8 1 1 A 70 70 GLU N N 70 118.000 120.039 -2.039 1
1 934 . 8 1 1 A 71 71 HIS H H 71 7.950 7.701 0.249 1
1 935 . 8 1 1 A 71 71 HIS HA H 71 4.460 4.387 0.073 1
1 938 . 8 1 1 A 71 71 HIS C C 71 174.700 175.713 -1.013 1
1 939 . 8 1 1 A 71 71 HIS CA C 71 56.300 59.288 -2.988 1
1 940 . 8 1 1 A 71 71 HIS CB C 71 28.800 29.602 -0.802 1
1 941 . 8 1 1 A 71 71 HIS N N 71 117.800 119.823 -2.023 1
1 942 . 8 1 1 A 72 72 HIS H H 72 8.260 8.120 0.140 1
1 943 . 8 1 1 A 72 72 HIS HA H 72 4.590 3.934 0.656 1
1 946 . 8 1 1 A 72 72 HIS C C 72 174.500 173.551 0.949 1
1 947 . 8 1 1 A 72 72 HIS CA C 72 55.700 58.246 -2.546 1
1 948 . 8 1 1 A 72 72 HIS CB C 72 29.600 28.225 1.375 1
1 949 . 8 1 1 A 72 72 HIS N N 72 119.100 117.065 2.035 1
1 950 . 8 1 1 A 73 73 HIS H H 73 8.420 8.406 0.014 1
1 951 . 8 1 1 A 73 73 HIS HA H 73 4.580 5.034 -0.454 1
1 954 . 8 1 1 A 73 73 HIS C C 73 174.400 174.394 0.006 1
1 955 . 8 1 1 A 73 73 HIS CA C 73 55.500 54.379 1.121 1
1 956 . 8 1 1 A 73 73 HIS CB C 73 29.600 32.319 -2.719 1
1 957 . 8 1 1 A 73 73 HIS N N 73 119.700 116.671 3.029 1
1 958 . 8 1 1 A 74 74 HIS H H 74 8.470 9.101 -0.631 1
1 959 . 8 1 1 A 74 74 HIS HA H 74 4.570 4.768 -0.198 1
1 962 . 8 1 1 A 74 74 HIS C C 74 173.600 174.143 -0.543 1
1 963 . 8 1 1 A 74 74 HIS CA C 74 55.600 55.203 0.397 1
1 964 . 8 1 1 A 74 74 HIS CB C 74 29.500 28.675 0.825 1
1 965 . 8 1 1 A 74 74 HIS N N 74 120.500 122.913 -2.413 1
1 966 . 8 1 1 A 75 75 HIS H H 75 8.290 8.669 -0.379 1
1 967 . 8 1 1 A 75 75 HIS HA H 75 4.400 5.306 -0.906 1
1 970 . 8 1 1 A 75 75 HIS CA C 75 57.100 54.876 2.224 1
1 971 . 8 1 1 A 75 75 HIS CB C 75 29.700 33.199 -3.499 1
1 1 . 9 1 1 A 2 2 PRO HA H 2 4.400 4.633 -0.233 1
1 8 . 9 1 1 A 2 2 PRO C C 2 172.300 176.022 -3.722 1
1 9 . 9 1 1 A 2 2 PRO CA C 2 62.200 62.556 -0.356 1
1 10 . 9 1 1 A 2 2 PRO CB C 2 32.600 32.377 0.223 1
1 13 . 9 1 1 A 3 3 ILE H H 3 8.630 8.385 0.245 1
1 14 . 9 1 1 A 3 3 ILE HA H 3 4.190 4.295 -0.105 1
1 24 . 9 1 1 A 3 3 ILE C C 3 176.100 177.317 -1.217 1
1 25 . 9 1 1 A 3 3 ILE CA C 3 61.500 60.694 0.806 1
1 26 . 9 1 1 A 3 3 ILE CB C 3 38.600 39.768 -1.168 1
1 30 . 9 1 1 A 3 3 ILE N N 3 120.700 121.733 -1.033 1
1 31 . 9 1 1 A 4 4 VAL H H 4 8.380 8.674 -0.294 1
1 32 . 9 1 1 A 4 4 VAL HA H 4 4.140 4.018 0.122 1
1 40 . 9 1 1 A 4 4 VAL C C 4 175.800 176.678 -0.878 1
1 41 . 9 1 1 A 4 4 VAL CA C 4 62.100 62.870 -0.770 1
1 42 . 9 1 1 A 4 4 VAL CB C 4 32.800 31.438 1.362 1
1 45 . 9 1 1 A 4 4 VAL N N 4 125.500 125.405 0.095 1
1 46 . 9 1 1 A 5 5 SER H H 5 8.450 7.929 0.521 1
1 47 . 9 1 1 A 5 5 SER HA H 5 4.420 4.149 0.271 1
1 50 . 9 1 1 A 5 5 SER C C 5 174.300 174.982 -0.682 1
1 51 . 9 1 1 A 5 5 SER CA C 5 57.900 61.281 -3.381 1
1 52 . 9 1 1 A 5 5 SER CB C 5 64.000 63.183 0.817 1
1 53 . 9 1 1 A 5 5 SER N N 5 120.500 118.844 1.656 1
1 54 . 9 1 1 A 6 6 LYS H H 6 8.330 7.273 1.057 1
1 55 . 9 1 1 A 6 6 LYS HA H 6 4.150 4.133 0.017 1
1 64 . 9 1 1 A 6 6 LYS C C 6 176.000 175.756 0.244 1
1 65 . 9 1 1 A 6 6 LYS CA C 6 56.800 55.396 1.404 1
1 66 . 9 1 1 A 6 6 LYS CB C 6 33.000 32.357 0.643 1
1 70 . 9 1 1 A 6 6 LYS N N 6 123.400 120.982 2.418 1
1 71 . 9 1 1 A 7 7 TYR H H 7 8.150 7.622 0.528 1
1 72 . 9 1 1 A 7 7 TYR HA H 7 4.640 4.235 0.405 1
1 79 . 9 1 1 A 7 7 TYR C C 7 175.400 174.534 0.866 1
1 80 . 9 1 1 A 7 7 TYR CA C 7 56.700 60.800 -4.100 1
1 81 . 9 1 1 A 7 7 TYR CB C 7 39.300 36.978 2.322 1
1 86 . 9 1 1 A 7 7 TYR N N 7 120.000 115.846 4.154 1
1 87 . 9 1 1 A 8 8 SER H H 8 8.360 8.444 -0.084 1
1 88 . 9 1 1 A 8 8 SER HA H 8 4.400 4.792 -0.392 1
1 91 . 9 1 1 A 8 8 SER C C 8 174.700 174.663 0.037 1
1 92 . 9 1 1 A 8 8 SER CA C 8 57.600 57.336 0.264 1
1 93 . 9 1 1 A 8 8 SER CB C 8 64.000 66.323 -2.323 1
1 94 . 9 1 1 A 8 8 SER N N 8 118.100 115.212 2.888 1
1 95 . 9 1 1 A 9 9 ASN H H 9 8.900 9.022 -0.122 1
1 96 . 9 1 1 A 9 9 ASN HA H 9 4.400 4.354 0.046 1
1 101 . 9 1 1 A 9 9 ASN C C 9 176.800 176.938 -0.138 1
1 102 . 9 1 1 A 9 9 ASN CA C 9 55.900 56.849 -0.949 1
1 103 . 9 1 1 A 9 9 ASN CB C 9 38.300 38.245 0.055 1
1 105 . 9 1 1 A 9 9 ASN N N 9 122.300 122.520 -0.220 1
1 107 . 9 1 1 A 10 10 GLU H H 10 8.740 8.423 0.317 1
1 108 . 9 1 1 A 10 10 GLU HA H 10 4.000 3.982 0.018 1
1 113 . 9 1 1 A 10 10 GLU C C 10 178.500 178.874 -0.374 1
1 114 . 9 1 1 A 10 10 GLU CA C 10 59.900 59.540 0.360 1
1 115 . 9 1 1 A 10 10 GLU CB C 10 29.000 29.335 -0.335 1
1 117 . 9 1 1 A 10 10 GLU N N 10 119.000 118.659 0.341 1
1 118 . 9 1 1 A 11 11 ARG H H 11 7.750 7.788 -0.038 1
1 119 . 9 1 1 A 11 11 ARG HA H 11 4.070 4.235 -0.165 1
1 127 . 9 1 1 A 11 11 ARG C C 11 178.000 178.648 -0.648 1
1 128 . 9 1 1 A 11 11 ARG CA C 11 58.800 58.619 0.181 1
1 129 . 9 1 1 A 11 11 ARG CB C 11 30.100 29.949 0.151 1
1 132 . 9 1 1 A 11 11 ARG N N 11 121.500 120.907 0.593 1
1 134 . 9 1 1 A 12 12 VAL H H 12 7.830 8.065 -0.235 1
1 135 . 9 1 1 A 12 12 VAL HA H 12 3.420 3.542 -0.122 1
1 143 . 9 1 1 A 12 12 VAL C C 12 177.400 177.711 -0.311 1
1 144 . 9 1 1 A 12 12 VAL CA C 12 67.000 67.006 -0.006 1
1 145 . 9 1 1 A 12 12 VAL CB C 12 32.100 31.555 0.545 1
1 148 . 9 1 1 A 12 12 VAL N N 12 118.800 120.132 -1.332 1
1 149 . 9 1 1 A 13 13 GLU H H 13 8.220 8.501 -0.281 1
1 150 . 9 1 1 A 13 13 GLU HA H 13 3.890 3.940 -0.050 1
1 155 . 9 1 1 A 13 13 GLU C C 13 178.900 179.251 -0.351 1
1 156 . 9 1 1 A 13 13 GLU CA C 13 59.500 59.649 -0.149 1
1 157 . 9 1 1 A 13 13 GLU CB C 13 29.000 29.206 -0.206 1
1 159 . 9 1 1 A 13 13 GLU N N 13 116.800 118.481 -1.681 1
1 160 . 9 1 1 A 14 14 LYS H H 14 7.600 7.497 0.103 1
1 161 . 9 1 1 A 14 14 LYS HA H 14 4.030 4.134 -0.104 1
1 170 . 9 1 1 A 14 14 LYS C C 14 177.700 178.951 -1.251 1
1 171 . 9 1 1 A 14 14 LYS CA C 14 59.100 59.163 -0.063 1
1 172 . 9 1 1 A 14 14 LYS CB C 14 32.100 32.280 -0.180 1
1 176 . 9 1 1 A 14 14 LYS N N 14 120.400 121.125 -0.725 1
1 177 . 9 1 1 A 15 15 ILE H H 15 7.830 8.404 -0.574 1
1 178 . 9 1 1 A 15 15 ILE HA H 15 3.630 3.641 -0.011 1
1 188 . 9 1 1 A 15 15 ILE C C 15 178.200 178.343 -0.143 1
1 189 . 9 1 1 A 15 15 ILE CA C 15 65.700 65.567 0.133 1
1 190 . 9 1 1 A 15 15 ILE CB C 15 37.500 37.699 -0.199 1
1 194 . 9 1 1 A 15 15 ILE N N 15 119.700 118.876 0.824 1
1 195 . 9 1 1 A 16 16 ILE H H 16 8.080 8.226 -0.146 1
1 196 . 9 1 1 A 16 16 ILE HA H 16 3.360 3.509 -0.149 1
1 206 . 9 1 1 A 16 16 ILE C C 16 177.500 178.164 -0.664 1
1 207 . 9 1 1 A 16 16 ILE CA C 16 66.600 65.556 1.044 1
1 208 . 9 1 1 A 16 16 ILE CB C 16 38.300 37.835 0.465 1
1 212 . 9 1 1 A 16 16 ILE N N 16 117.900 121.369 -3.469 1
1 213 . 9 1 1 A 17 17 GLN H H 17 8.010 8.024 -0.014 1
1 214 . 9 1 1 A 17 17 GLN HA H 17 3.830 3.928 -0.098 1
1 221 . 9 1 1 A 17 17 GLN C C 17 178.000 177.925 0.075 1
1 222 . 9 1 1 A 17 17 GLN CA C 17 58.400 59.145 -0.745 1
1 223 . 9 1 1 A 17 17 GLN CB C 17 28.100 28.228 -0.128 1
1 225 . 9 1 1 A 17 17 GLN N N 17 117.900 120.190 -2.290 1
1 227 . 9 1 1 A 18 18 ASP H H 18 8.710 8.581 0.129 1
1 228 . 9 1 1 A 18 18 ASP HA H 18 4.400 4.434 -0.034 1
1 231 . 9 1 1 A 18 18 ASP C C 18 179.800 178.835 0.965 1
1 232 . 9 1 1 A 18 18 ASP CA C 18 57.400 57.206 0.194 1
1 233 . 9 1 1 A 18 18 ASP CB C 18 39.900 40.886 -0.986 1
1 234 . 9 1 1 A 18 18 ASP N N 18 121.000 119.941 1.059 1
1 235 . 9 1 1 A 19 19 LEU H H 19 8.260 8.296 -0.036 1
1 236 . 9 1 1 A 19 19 LEU HA H 19 4.010 4.062 -0.052 1
1 246 . 9 1 1 A 19 19 LEU C C 19 178.200 179.064 -0.864 1
1 247 . 9 1 1 A 19 19 LEU CA C 19 58.100 58.006 0.094 1
1 248 . 9 1 1 A 19 19 LEU CB C 19 42.400 41.703 0.697 1
1 252 . 9 1 1 A 19 19 LEU N N 19 120.800 120.870 -0.070 1
1 253 . 9 1 1 A 20 20 LEU H H 20 8.160 8.167 -0.007 1
1 254 . 9 1 1 A 20 20 LEU HA H 20 3.940 3.945 -0.005 1
1 264 . 9 1 1 A 20 20 LEU C C 20 180.100 179.097 1.003 1
1 265 . 9 1 1 A 20 20 LEU CA C 20 57.900 58.050 -0.150 1
1 266 . 9 1 1 A 20 20 LEU CB C 20 40.800 40.842 -0.042 1
1 270 . 9 1 1 A 20 20 LEU N N 20 117.300 119.151 -1.851 1
1 271 . 9 1 1 A 21 21 ASP H H 21 9.000 8.509 0.491 1
1 272 . 9 1 1 A 21 21 ASP HA H 21 4.420 4.408 0.012 1
1 275 . 9 1 1 A 21 21 ASP C C 21 179.000 178.892 0.108 1
1 276 . 9 1 1 A 21 21 ASP CA C 21 57.300 57.430 -0.130 1
1 277 . 9 1 1 A 21 21 ASP CB C 21 40.500 40.245 0.255 1
1 278 . 9 1 1 A 21 21 ASP N N 21 120.000 120.468 -0.468 1
1 279 . 9 1 1 A 22 22 VAL H H 22 7.370 7.793 -0.423 1
1 280 . 9 1 1 A 22 22 VAL HA H 22 3.600 3.541 0.059 1
1 288 . 9 1 1 A 22 22 VAL C C 22 177.700 178.070 -0.370 1
1 289 . 9 1 1 A 22 22 VAL CA C 22 66.300 66.641 -0.341 1
1 290 . 9 1 1 A 22 22 VAL CB C 22 32.000 31.322 0.678 1
1 293 . 9 1 1 A 22 22 VAL N N 22 119.800 121.081 -1.281 1
1 294 . 9 1 1 A 23 23 LEU H H 23 6.880 7.909 -1.029 1
1 295 . 9 1 1 A 23 23 LEU HA H 23 3.880 3.983 -0.103 1
1 305 . 9 1 1 A 23 23 LEU C C 23 179.100 179.595 -0.495 1
1 306 . 9 1 1 A 23 23 LEU CA C 23 57.100 58.079 -0.979 1
1 307 . 9 1 1 A 23 23 LEU CB C 23 40.600 41.817 -1.217 1
1 311 . 9 1 1 A 23 23 LEU N N 23 116.500 118.671 -2.171 1
1 312 . 9 1 1 A 24 24 VAL H H 24 8.430 8.248 0.182 1
1 313 . 9 1 1 A 24 24 VAL HA H 24 3.780 3.626 0.154 1
1 321 . 9 1 1 A 24 24 VAL C C 24 180.800 178.205 2.595 1
1 322 . 9 1 1 A 24 24 VAL CA C 24 65.900 66.934 -1.034 1
1 323 . 9 1 1 A 24 24 VAL CB C 24 32.200 31.448 0.752 1
1 326 . 9 1 1 A 24 24 VAL N N 24 120.300 120.107 0.193 1
1 327 . 9 1 1 A 25 25 LYS H H 25 8.380 8.247 0.133 1
1 328 . 9 1 1 A 25 25 LYS HA H 25 4.030 3.970 0.060 1
1 337 . 9 1 1 A 25 25 LYS C C 25 178.500 178.768 -0.268 1
1 338 . 9 1 1 A 25 25 LYS CA C 25 59.400 58.988 0.412 1
1 339 . 9 1 1 A 25 25 LYS CB C 25 32.300 32.020 0.280 1
1 343 . 9 1 1 A 25 25 LYS N N 25 121.900 119.768 2.132 1
1 344 . 9 1 1 A 26 26 GLU H H 26 7.360 7.992 -0.632 1
1 345 . 9 1 1 A 26 26 GLU HA H 26 4.330 4.335 -0.005 1
1 350 . 9 1 1 A 26 26 GLU C C 26 175.000 175.992 -0.992 1
1 351 . 9 1 1 A 26 26 GLU CA C 26 56.000 56.643 -0.643 1
1 352 . 9 1 1 A 26 26 GLU CB C 26 29.800 30.059 -0.259 1
1 354 . 9 1 1 A 26 26 GLU N N 26 115.000 115.865 -0.865 1
1 355 . 9 1 1 A 27 27 GLU H H 27 7.980 7.724 0.256 1
1 356 . 9 1 1 A 27 27 GLU HA H 27 3.950 3.823 0.127 1
1 361 . 9 1 1 A 27 27 GLU C C 27 175.900 174.952 0.948 1
1 362 . 9 1 1 A 27 27 GLU CA C 27 56.900 57.291 -0.391 1
1 363 . 9 1 1 A 27 27 GLU CB C 27 27.100 27.274 -0.174 1
1 365 . 9 1 1 A 27 27 GLU N N 27 116.300 117.363 -1.063 1
1 366 . 9 1 1 A 28 28 VAL H H 28 7.370 7.523 -0.153 1
1 367 . 9 1 1 A 28 28 VAL HA H 28 4.200 4.258 -0.058 1
1 375 . 9 1 1 A 28 28 VAL C C 28 176.700 176.006 0.694 1
1 376 . 9 1 1 A 28 28 VAL CA C 28 61.600 61.041 0.559 1
1 377 . 9 1 1 A 28 28 VAL CB C 28 32.600 32.619 -0.019 1
1 380 . 9 1 1 A 28 28 VAL N N 28 112.200 115.298 -3.098 1
1 381 . 9 1 1 A 29 29 THR H H 29 7.400 8.890 -1.490 1
1 382 . 9 1 1 A 29 29 THR HA H 29 4.640 5.013 -0.373 1
1 387 . 9 1 1 A 29 29 THR CA C 29 59.900 59.852 0.048 1
1 388 . 9 1 1 A 29 29 THR CB C 29 67.900 69.073 -1.173 1
1 390 . 9 1 1 A 29 29 THR N N 29 113.900 114.202 -0.302 1
1 391 . 9 1 1 A 30 30 PRO HA H 30 4.130 4.215 -0.085 1
1 398 . 9 1 1 A 30 30 PRO C C 30 177.600 178.619 -1.019 1
1 399 . 9 1 1 A 30 30 PRO CA C 30 66.300 65.755 0.545 1
1 400 . 9 1 1 A 30 30 PRO CB C 30 31.500 31.704 -0.204 1
1 403 . 9 1 1 A 31 31 ASP H H 31 8.390 8.323 0.067 1
1 404 . 9 1 1 A 31 31 ASP HA H 31 4.240 4.329 -0.089 1
1 407 . 9 1 1 A 31 31 ASP C C 31 178.900 178.876 0.024 1
1 408 . 9 1 1 A 31 31 ASP CA C 31 57.000 57.278 -0.278 1
1 409 . 9 1 1 A 31 31 ASP CB C 31 40.000 40.477 -0.477 1
1 410 . 9 1 1 A 31 31 ASP N N 31 113.200 117.508 -4.308 1
1 411 . 9 1 1 A 32 32 LEU H H 32 7.460 8.084 -0.624 1
1 412 . 9 1 1 A 32 32 LEU HA H 32 4.190 4.063 0.127 1
1 422 . 9 1 1 A 32 32 LEU C C 32 178.900 178.454 0.446 1
1 423 . 9 1 1 A 32 32 LEU CA C 32 57.000 57.744 -0.744 1
1 424 . 9 1 1 A 32 32 LEU CB C 32 41.300 41.424 -0.124 1
1 428 . 9 1 1 A 32 32 LEU N N 32 123.000 121.072 1.928 1
1 429 . 9 1 1 A 33 33 ALA H H 33 8.930 8.483 0.447 1
1 430 . 9 1 1 A 33 33 ALA HA H 33 3.730 4.144 -0.414 1
1 434 . 9 1 1 A 33 33 ALA C C 33 179.800 179.934 -0.134 1
1 435 . 9 1 1 A 33 33 ALA CA C 33 55.900 55.316 0.584 1
1 436 . 9 1 1 A 33 33 ALA CB C 33 19.100 18.372 0.728 1
1 437 . 9 1 1 A 33 33 ALA N N 33 122.700 120.990 1.710 1
1 438 . 9 1 1 A 34 34 LEU H H 34 8.420 8.151 0.269 1
1 439 . 9 1 1 A 34 34 LEU HA H 34 4.010 3.890 0.120 1
1 449 . 9 1 1 A 34 34 LEU C C 34 179.700 178.685 1.015 1
1 450 . 9 1 1 A 34 34 LEU CA C 34 58.200 58.057 0.143 1
1 451 . 9 1 1 A 34 34 LEU CB C 34 41.200 41.627 -0.427 1
1 455 . 9 1 1 A 34 34 LEU N N 34 115.800 117.888 -2.088 1
1 456 . 9 1 1 A 35 35 MET H H 35 7.730 8.388 -0.658 1
1 457 . 9 1 1 A 35 35 MET HA H 35 4.240 4.140 0.100 1
1 465 . 9 1 1 A 35 35 MET C C 35 179.500 178.140 1.360 1
1 466 . 9 1 1 A 35 35 MET CA C 35 59.300 58.622 0.678 1
1 467 . 9 1 1 A 35 35 MET CB C 35 32.900 32.124 0.776 1
1 470 . 9 1 1 A 35 35 MET N N 35 121.400 118.545 2.855 1
1 471 . 9 1 1 A 36 36 CYS H H 36 8.420 8.325 0.095 1
1 472 . 9 1 1 A 36 36 CYS HA H 36 3.950 4.138 -0.188 1
1 475 . 9 1 1 A 36 36 CYS C C 36 177.000 177.206 -0.206 1
1 476 . 9 1 1 A 36 36 CYS CA C 36 64.200 63.583 0.617 1
1 477 . 9 1 1 A 36 36 CYS CB C 36 27.200 27.824 -0.624 1
1 478 . 9 1 1 A 36 36 CYS N N 36 118.600 117.768 0.832 1
1 479 . 9 1 1 A 37 37 LEU H H 37 9.020 8.729 0.291 1
1 480 . 9 1 1 A 37 37 LEU HA H 37 3.940 3.986 -0.046 1
1 490 . 9 1 1 A 37 37 LEU C C 37 179.100 179.285 -0.185 1
1 491 . 9 1 1 A 37 37 LEU CA C 37 58.300 58.675 -0.375 1
1 492 . 9 1 1 A 37 37 LEU CB C 37 42.200 41.983 0.217 1
1 496 . 9 1 1 A 37 37 LEU N N 37 119.600 120.887 -1.287 1
1 497 . 9 1 1 A 38 38 GLY H H 38 8.940 8.810 0.130 1
1 498 . 9 1 1 A 38 38 GLY HA2 H 38 3.610 3.764 -0.154 1
1 499 . 9 1 1 A 38 38 GLY HA3 H 38 3.970 3.783 0.187 1
1 500 . 9 1 1 A 38 38 GLY C C 38 179.800 175.797 4.003 1
1 501 . 9 1 1 A 38 38 GLY CA C 38 47.900 47.533 0.367 1
1 502 . 9 1 1 A 38 38 GLY N N 38 106.600 105.787 0.813 1
1 503 . 9 1 1 A 39 39 ASN H H 39 7.790 7.631 0.159 1
1 504 . 9 1 1 A 39 39 ASN HA H 39 4.440 4.473 -0.033 1
1 509 . 9 1 1 A 39 39 ASN C C 39 178.000 177.835 0.165 1
1 510 . 9 1 1 A 39 39 ASN CA C 39 56.300 56.178 0.122 1
1 511 . 9 1 1 A 39 39 ASN CB C 39 39.500 38.059 1.441 1
1 513 . 9 1 1 A 39 39 ASN N N 39 120.900 120.081 0.819 1
1 515 . 9 1 1 A 40 40 ALA H H 40 8.260 7.876 0.384 1
1 516 . 9 1 1 A 40 40 ALA HA H 40 3.970 4.045 -0.075 1
1 520 . 9 1 1 A 40 40 ALA C C 40 178.200 179.724 -1.524 1
1 521 . 9 1 1 A 40 40 ALA CA C 40 55.900 55.208 0.692 1
1 522 . 9 1 1 A 40 40 ALA CB C 40 17.200 18.327 -1.127 1
1 523 . 9 1 1 A 40 40 ALA N N 40 123.900 123.539 0.361 1
1 524 . 9 1 1 A 41 41 VAL H H 41 8.410 8.103 0.307 1
1 525 . 9 1 1 A 41 41 VAL HA H 41 3.180 3.338 -0.158 1
1 533 . 9 1 1 A 41 41 VAL C C 41 177.800 178.132 -0.332 1
1 534 . 9 1 1 A 41 41 VAL CA C 41 67.000 67.083 -0.083 1
1 535 . 9 1 1 A 41 41 VAL CB C 41 30.900 31.511 -0.611 1
1 538 . 9 1 1 A 41 41 VAL N N 41 116.900 118.580 -1.680 1
1 539 . 9 1 1 A 42 42 THR H H 42 8.210 8.091 0.119 1
1 540 . 9 1 1 A 42 42 THR HA H 42 3.430 3.949 -0.519 1
1 545 . 9 1 1 A 42 42 THR C C 42 175.900 176.190 -0.290 1
1 546 . 9 1 1 A 42 42 THR CA C 42 67.500 64.930 2.570 1
1 547 . 9 1 1 A 42 42 THR CB C 42 68.000 68.873 -0.873 1
1 549 . 9 1 1 A 42 42 THR N N 42 114.800 113.036 1.764 1
1 550 . 9 1 1 A 43 43 ASN H H 43 7.600 7.919 -0.319 1
1 551 . 9 1 1 A 43 43 ASN HA H 43 4.170 4.656 -0.486 1
1 556 . 9 1 1 A 43 43 ASN C C 43 177.300 177.023 0.277 1
1 557 . 9 1 1 A 43 43 ASN CA C 43 57.000 55.842 1.158 1
1 558 . 9 1 1 A 43 43 ASN CB C 43 39.400 38.281 1.119 1
1 560 . 9 1 1 A 43 43 ASN N N 43 120.300 118.738 1.562 1
1 562 . 9 1 1 A 44 44 ILE H H 44 7.630 7.527 0.103 1
1 563 . 9 1 1 A 44 44 ILE HA H 44 3.770 3.917 -0.147 1
1 573 . 9 1 1 A 44 44 ILE C C 44 179.200 178.350 0.850 1
1 574 . 9 1 1 A 44 44 ILE CA C 44 62.100 63.903 -1.803 1
1 575 . 9 1 1 A 44 44 ILE CB C 44 35.700 38.051 -2.351 1
1 579 . 9 1 1 A 44 44 ILE N N 44 119.700 119.003 0.697 1
1 580 . 9 1 1 A 45 45 ILE H H 45 8.460 8.066 0.394 1
1 581 . 9 1 1 A 45 45 ILE HA H 45 3.550 3.818 -0.268 1
1 591 . 9 1 1 A 45 45 ILE C C 45 177.100 177.434 -0.334 1
1 592 . 9 1 1 A 45 45 ILE CA C 45 65.100 64.037 1.063 1
1 593 . 9 1 1 A 45 45 ILE CB C 45 36.600 36.910 -0.310 1
1 597 . 9 1 1 A 45 45 ILE N N 45 120.300 120.218 0.082 1
1 598 . 9 1 1 A 46 46 ALA H H 46 7.750 7.565 0.185 1
1 599 . 9 1 1 A 46 46 ALA HA H 46 3.950 4.157 -0.207 1
1 603 . 9 1 1 A 46 46 ALA C C 46 178.000 178.130 -0.130 1
1 604 . 9 1 1 A 46 46 ALA CA C 46 54.000 53.640 0.360 1
1 605 . 9 1 1 A 46 46 ALA CB C 46 17.900 18.311 -0.411 1
1 606 . 9 1 1 A 46 46 ALA N N 46 120.000 123.866 -3.866 1
1 607 . 9 1 1 A 47 47 GLN H H 47 7.610 7.736 -0.126 1
1 608 . 9 1 1 A 47 47 GLN HA H 47 4.190 4.382 -0.192 1
1 615 . 9 1 1 A 47 47 GLN C C 47 177.100 175.641 1.459 1
1 616 . 9 1 1 A 47 47 GLN CA C 47 56.000 56.621 -0.621 1
1 617 . 9 1 1 A 47 47 GLN CB C 47 29.000 29.661 -0.661 1
1 620 . 9 1 1 A 47 47 GLN N N 47 114.000 115.643 -1.643 1
1 622 . 9 1 1 A 48 48 VAL H H 48 7.740 7.242 0.498 1
1 623 . 9 1 1 A 48 48 VAL HA H 48 4.390 4.552 -0.162 1
1 631 . 9 1 1 A 48 48 VAL CA C 48 59.900 58.754 1.146 1
1 632 . 9 1 1 A 48 48 VAL CB C 48 31.900 33.132 -1.232 1
1 635 . 9 1 1 A 48 48 VAL N N 48 122.400 114.710 7.690 1
1 636 . 9 1 1 A 49 49 PRO HA H 49 4.340 4.509 -0.169 1
1 643 . 9 1 1 A 49 49 PRO C C 49 177.700 177.875 -0.175 1
1 644 . 9 1 1 A 49 49 PRO CA C 49 63.700 62.866 0.834 1
1 645 . 9 1 1 A 49 49 PRO CB C 49 32.300 32.599 -0.299 1
1 648 . 9 1 1 A 50 50 GLU H H 50 8.960 9.019 -0.059 1
1 649 . 9 1 1 A 50 50 GLU HA H 50 3.580 3.960 -0.380 1
1 654 . 9 1 1 A 50 50 GLU C C 50 178.300 178.224 0.076 1
1 655 . 9 1 1 A 50 50 GLU CA C 50 60.800 59.614 1.186 1
1 656 . 9 1 1 A 50 50 GLU CB C 50 29.900 29.481 0.419 1
1 658 . 9 1 1 A 50 50 GLU N N 50 124.400 124.626 -0.226 1
1 659 . 9 1 1 A 51 51 SER H H 51 8.640 8.065 0.575 1
1 660 . 9 1 1 A 51 51 SER HA H 51 4.240 4.141 0.099 1
1 663 . 9 1 1 A 51 51 SER C C 51 175.200 176.434 -1.234 1
1 664 . 9 1 1 A 51 51 SER CA C 51 60.600 62.131 -1.531 1
1 665 . 9 1 1 A 51 51 SER CB C 51 62.600 62.948 -0.348 1
1 666 . 9 1 1 A 51 51 SER N N 51 112.000 117.419 -5.419 1
1 667 . 9 1 1 A 52 52 LYS H H 52 7.950 7.867 0.083 1
1 668 . 9 1 1 A 52 52 LYS HA H 52 4.650 4.106 0.544 1
1 677 . 9 1 1 A 52 52 LYS C C 52 176.700 178.845 -2.145 1
1 678 . 9 1 1 A 52 52 LYS CA C 52 55.500 59.528 -4.028 1
1 679 . 9 1 1 A 52 52 LYS CB C 52 34.000 32.337 1.663 1
1 683 . 9 1 1 A 52 52 LYS N N 52 119.600 121.230 -1.630 1
1 684 . 9 1 1 A 53 53 ARG H H 53 7.290 8.255 -0.965 1
1 685 . 9 1 1 A 53 53 ARG HA H 53 3.530 4.100 -0.570 1
1 695 . 9 1 1 A 53 53 ARG C C 53 177.300 178.854 -1.554 1
1 696 . 9 1 1 A 53 53 ARG CA C 53 61.700 58.707 2.993 1
1 697 . 9 1 1 A 53 53 ARG CB C 53 30.800 29.662 1.138 1
1 700 . 9 1 1 A 53 53 ARG N N 53 119.000 120.332 -1.332 1
1 702 . 9 1 1 A 54 54 VAL H H 54 8.440 7.825 0.615 1
1 703 . 9 1 1 A 54 54 VAL HA H 54 3.460 3.613 -0.153 1
1 711 . 9 1 1 A 54 54 VAL C C 54 177.400 178.156 -0.756 1
1 712 . 9 1 1 A 54 54 VAL CA C 54 67.200 66.386 0.814 1
1 713 . 9 1 1 A 54 54 VAL CB C 54 31.000 31.664 -0.664 1
1 716 . 9 1 1 A 54 54 VAL N N 54 118.400 119.627 -1.227 1
1 717 . 9 1 1 A 55 55 ALA H H 55 8.120 8.164 -0.044 1
1 718 . 9 1 1 A 55 55 ALA HA H 55 4.180 4.017 0.163 1
1 722 . 9 1 1 A 55 55 ALA C C 55 180.700 180.711 -0.011 1
1 723 . 9 1 1 A 55 55 ALA CA C 55 55.000 55.312 -0.312 1
1 724 . 9 1 1 A 55 55 ALA CB C 55 17.900 18.143 -0.243 1
1 725 . 9 1 1 A 55 55 ALA N N 55 122.300 122.214 0.086 1
1 726 . 9 1 1 A 56 56 VAL H H 56 8.040 8.377 -0.337 1
1 727 . 9 1 1 A 56 56 VAL HA H 56 3.780 3.595 0.185 1
1 735 . 9 1 1 A 56 56 VAL C C 56 179.400 178.161 1.239 1
1 736 . 9 1 1 A 56 56 VAL CA C 56 66.700 66.882 -0.182 1
1 737 . 9 1 1 A 56 56 VAL CB C 56 31.400 31.517 -0.117 1
1 740 . 9 1 1 A 56 56 VAL N N 56 117.900 119.310 -1.410 1
1 741 . 9 1 1 A 57 57 VAL H H 57 8.510 7.891 0.619 1
1 742 . 9 1 1 A 57 57 VAL HA H 57 3.760 3.867 -0.107 1
1 750 . 9 1 1 A 57 57 VAL C C 57 177.900 177.355 0.545 1
1 751 . 9 1 1 A 57 57 VAL CA C 57 66.700 65.084 1.616 1
1 752 . 9 1 1 A 57 57 VAL CB C 57 31.400 31.296 0.104 1
1 755 . 9 1 1 A 57 57 VAL N N 57 121.600 120.304 1.296 1
1 756 . 9 1 1 A 58 58 ASP H H 58 8.800 8.176 0.624 1
1 757 . 9 1 1 A 58 58 ASP HA H 58 4.420 4.572 -0.152 1
1 760 . 9 1 1 A 58 58 ASP C C 58 178.500 179.514 -1.014 1
1 761 . 9 1 1 A 58 58 ASP CA C 58 57.800 57.434 0.366 1
1 762 . 9 1 1 A 58 58 ASP CB C 58 40.000 39.973 0.027 1
1 763 . 9 1 1 A 58 58 ASP N N 58 124.800 122.463 2.337 1
1 764 . 9 1 1 A 59 59 ASN H H 59 8.500 7.751 0.749 1
1 765 . 9 1 1 A 59 59 ASN HA H 59 4.460 4.522 -0.062 1
1 770 . 9 1 1 A 59 59 ASN C C 59 177.700 177.696 0.004 1
1 771 . 9 1 1 A 59 59 ASN CA C 59 56.500 56.470 0.030 1
1 772 . 9 1 1 A 59 59 ASN CB C 59 38.300 38.584 -0.284 1
1 774 . 9 1 1 A 59 59 ASN N N 59 118.800 118.333 0.467 1
1 776 . 9 1 1 A 60 60 PHE H H 60 8.540 8.115 0.425 1
1 777 . 9 1 1 A 60 60 PHE HA H 60 4.210 4.099 0.111 1
1 785 . 9 1 1 A 60 60 PHE C C 60 177.700 177.694 0.006 1
1 786 . 9 1 1 A 60 60 PHE CA C 60 61.600 61.694 -0.094 1
1 787 . 9 1 1 A 60 60 PHE CB C 60 39.800 39.132 0.668 1
1 793 . 9 1 1 A 60 60 PHE N N 60 121.800 122.648 -0.848 1
1 794 . 9 1 1 A 61 61 THR H H 61 8.820 8.734 0.086 1
1 795 . 9 1 1 A 61 61 THR HA H 61 3.820 3.977 -0.157 1
1 801 . 9 1 1 A 61 61 THR C C 61 176.700 176.644 0.056 1
1 802 . 9 1 1 A 61 61 THR CA C 61 66.200 66.131 0.069 1
1 803 . 9 1 1 A 61 61 THR CB C 61 68.400 68.613 -0.213 1
1 805 . 9 1 1 A 61 61 THR N N 61 112.200 112.010 0.190 1
1 806 . 9 1 1 A 62 62 LYS H H 62 8.190 7.644 0.546 1
1 807 . 9 1 1 A 62 62 LYS HA H 62 4.010 3.941 0.069 1
1 816 . 9 1 1 A 62 62 LYS C C 62 179.100 178.421 0.679 1
1 817 . 9 1 1 A 62 62 LYS CA C 62 60.100 59.353 0.747 1
1 818 . 9 1 1 A 62 62 LYS CB C 62 32.500 32.413 0.087 1
1 822 . 9 1 1 A 62 62 LYS N N 62 124.000 121.887 2.113 1
1 823 . 9 1 1 A 63 63 ALA H H 63 7.800 7.963 -0.163 1
1 824 . 9 1 1 A 63 63 ALA HA H 63 4.070 4.054 0.016 1
1 828 . 9 1 1 A 63 63 ALA C C 63 180.400 180.066 0.334 1
1 829 . 9 1 1 A 63 63 ALA CA C 63 54.700 54.943 -0.243 1
1 830 . 9 1 1 A 63 63 ALA CB C 63 17.800 18.357 -0.557 1
1 831 . 9 1 1 A 63 63 ALA N N 63 121.500 120.837 0.663 1
1 832 . 9 1 1 A 64 64 LEU H H 64 7.850 7.910 -0.060 1
1 833 . 9 1 1 A 64 64 LEU HA H 64 3.900 3.750 0.150 1
1 843 . 9 1 1 A 64 64 LEU C C 64 178.600 179.187 -0.587 1
1 844 . 9 1 1 A 64 64 LEU CA C 64 57.300 58.045 -0.745 1
1 845 . 9 1 1 A 64 64 LEU CB C 64 41.900 41.736 0.164 1
1 849 . 9 1 1 A 64 64 LEU N N 64 120.100 119.068 1.032 1
1 850 . 9 1 1 A 65 65 LYS H H 65 7.970 7.857 0.113 1
1 851 . 9 1 1 A 65 65 LYS HA H 65 3.730 3.932 -0.202 1
1 860 . 9 1 1 A 65 65 LYS C C 65 178.300 179.047 -0.747 1
1 861 . 9 1 1 A 65 65 LYS CA C 65 60.400 60.194 0.206 1
1 862 . 9 1 1 A 65 65 LYS CB C 65 31.900 31.992 -0.092 1
1 866 . 9 1 1 A 65 65 LYS N N 65 118.100 117.298 0.802 1
1 867 . 9 1 1 A 66 66 GLN H H 66 7.820 8.185 -0.365 1
1 868 . 9 1 1 A 66 66 GLN HA H 66 3.950 4.050 -0.100 1
1 875 . 9 1 1 A 66 66 GLN C C 66 178.000 178.316 -0.316 1
1 876 . 9 1 1 A 66 66 GLN CA C 66 58.700 58.892 -0.192 1
1 877 . 9 1 1 A 66 66 GLN CB C 66 28.200 28.780 -0.580 1
1 880 . 9 1 1 A 66 66 GLN N N 66 116.800 120.194 -3.394 1
1 882 . 9 1 1 A 67 67 SER H H 67 8.060 8.446 -0.386 1
1 883 . 9 1 1 A 67 67 SER HA H 67 4.150 4.172 -0.022 1
1 886 . 9 1 1 A 67 67 SER C C 67 176.900 177.566 -0.666 1
1 887 . 9 1 1 A 67 67 SER CA C 67 61.500 61.336 0.164 1
1 888 . 9 1 1 A 67 67 SER CB C 67 63.000 62.486 0.514 1
1 889 . 9 1 1 A 67 67 SER N N 67 114.200 116.491 -2.291 1
1 890 . 9 1 1 A 68 68 VAL H H 68 7.860 8.155 -0.295 1
1 891 . 9 1 1 A 68 68 VAL HA H 68 3.850 3.723 0.127 1
1 899 . 9 1 1 A 68 68 VAL C C 68 177.600 178.319 -0.719 1
1 900 . 9 1 1 A 68 68 VAL CA C 68 64.900 66.934 -2.034 1
1 901 . 9 1 1 A 68 68 VAL CB C 68 32.000 31.570 0.430 1
1 904 . 9 1 1 A 68 68 VAL N N 68 119.300 122.869 -3.569 1
1 905 . 9 1 1 A 69 69 LEU H H 69 7.880 8.480 -0.600 1
1 906 . 9 1 1 A 69 69 LEU HA H 69 4.150 4.029 0.121 1
1 916 . 9 1 1 A 69 69 LEU C C 69 178.400 177.633 0.767 1
1 917 . 9 1 1 A 69 69 LEU CA C 69 56.500 57.856 -1.356 1
1 918 . 9 1 1 A 69 69 LEU CB C 69 41.800 40.969 0.831 1
1 922 . 9 1 1 A 69 69 LEU N N 69 119.800 118.847 0.953 1
1 923 . 9 1 1 A 70 70 GLU H H 70 7.820 7.882 -0.062 1
1 924 . 9 1 1 A 70 70 GLU HA H 70 4.130 4.278 -0.148 1
1 929 . 9 1 1 A 70 70 GLU C C 70 176.700 177.720 -1.020 1
1 930 . 9 1 1 A 70 70 GLU CA C 70 56.900 57.535 -0.635 1
1 931 . 9 1 1 A 70 70 GLU CB C 70 29.800 29.643 0.157 1
1 933 . 9 1 1 A 70 70 GLU N N 70 118.000 119.122 -1.122 1
1 934 . 9 1 1 A 71 71 HIS H H 71 7.950 7.671 0.279 1
1 935 . 9 1 1 A 71 71 HIS HA H 71 4.460 4.503 -0.043 1
1 938 . 9 1 1 A 71 71 HIS C C 71 174.700 175.538 -0.838 1
1 939 . 9 1 1 A 71 71 HIS CA C 71 56.300 57.502 -1.202 1
1 940 . 9 1 1 A 71 71 HIS CB C 71 28.800 29.988 -1.188 1
1 941 . 9 1 1 A 71 71 HIS N N 71 117.800 118.686 -0.886 1
1 942 . 9 1 1 A 72 72 HIS H H 72 8.260 7.600 0.660 1
1 943 . 9 1 1 A 72 72 HIS HA H 72 4.590 4.544 0.046 1
1 946 . 9 1 1 A 72 72 HIS C C 72 174.500 175.636 -1.136 1
1 947 . 9 1 1 A 72 72 HIS CA C 72 55.700 55.605 0.095 1
1 948 . 9 1 1 A 72 72 HIS CB C 72 29.600 30.442 -0.842 1
1 949 . 9 1 1 A 72 72 HIS N N 72 119.100 120.551 -1.451 1
1 950 . 9 1 1 A 73 73 HIS H H 73 8.420 8.873 -0.453 1
1 951 . 9 1 1 A 73 73 HIS HA H 73 4.580 4.080 0.500 1
1 954 . 9 1 1 A 73 73 HIS C C 73 174.400 174.611 -0.211 1
1 955 . 9 1 1 A 73 73 HIS CA C 73 55.500 56.706 -1.206 1
1 956 . 9 1 1 A 73 73 HIS CB C 73 29.600 28.032 1.568 1
1 957 . 9 1 1 A 73 73 HIS N N 73 119.700 125.154 -5.454 1
1 958 . 9 1 1 A 74 74 HIS H H 74 8.470 7.966 0.504 1
1 959 . 9 1 1 A 74 74 HIS HA H 74 4.570 4.598 -0.028 1
1 962 . 9 1 1 A 74 74 HIS C C 74 173.600 174.439 -0.839 1
1 963 . 9 1 1 A 74 74 HIS CA C 74 55.600 55.770 -0.170 1
1 964 . 9 1 1 A 74 74 HIS CB C 74 29.500 30.530 -1.030 1
1 965 . 9 1 1 A 74 74 HIS N N 74 120.500 116.457 4.043 1
1 966 . 9 1 1 A 75 75 HIS H H 75 8.290 8.872 -0.582 1
1 967 . 9 1 1 A 75 75 HIS HA H 75 4.400 5.180 -0.780 1
1 970 . 9 1 1 A 75 75 HIS CA C 75 57.100 53.547 3.553 1
1 971 . 9 1 1 A 75 75 HIS CB C 75 29.700 30.666 -0.966 1
1 1 . 10 1 1 A 2 2 PRO HA H 2 4.400 4.625 -0.225 1
1 8 . 10 1 1 A 2 2 PRO C C 2 172.300 175.515 -3.215 1
1 9 . 10 1 1 A 2 2 PRO CA C 2 62.200 62.186 0.014 1
1 10 . 10 1 1 A 2 2 PRO CB C 2 32.600 32.747 -0.147 1
1 13 . 10 1 1 A 3 3 ILE H H 3 8.630 8.405 0.225 1
1 14 . 10 1 1 A 3 3 ILE HA H 3 4.190 4.327 -0.137 1
1 24 . 10 1 1 A 3 3 ILE C C 3 176.100 176.075 0.025 1
1 25 . 10 1 1 A 3 3 ILE CA C 3 61.500 60.466 1.034 1
1 26 . 10 1 1 A 3 3 ILE CB C 3 38.600 38.250 0.350 1
1 30 . 10 1 1 A 3 3 ILE N N 3 120.700 121.657 -0.957 1
1 31 . 10 1 1 A 4 4 VAL H H 4 8.380 8.389 -0.009 1
1 32 . 10 1 1 A 4 4 VAL HA H 4 4.140 4.126 0.014 1
1 40 . 10 1 1 A 4 4 VAL C C 4 175.800 175.736 0.064 1
1 41 . 10 1 1 A 4 4 VAL CA C 4 62.100 61.626 0.474 1
1 42 . 10 1 1 A 4 4 VAL CB C 4 32.800 32.835 -0.035 1
1 45 . 10 1 1 A 4 4 VAL N N 4 125.500 127.613 -2.113 1
1 46 . 10 1 1 A 5 5 SER H H 5 8.450 8.740 -0.290 1
1 47 . 10 1 1 A 5 5 SER HA H 5 4.420 4.658 -0.238 1
1 50 . 10 1 1 A 5 5 SER C C 5 174.300 174.039 0.261 1
1 51 . 10 1 1 A 5 5 SER CA C 5 57.900 56.899 1.001 1
1 52 . 10 1 1 A 5 5 SER CB C 5 64.000 65.932 -1.932 1
1 53 . 10 1 1 A 5 5 SER N N 5 120.500 117.105 3.395 1
1 54 . 10 1 1 A 6 6 LYS H H 6 8.330 8.803 -0.473 1
1 55 . 10 1 1 A 6 6 LYS HA H 6 4.150 4.089 0.061 1
1 64 . 10 1 1 A 6 6 LYS C C 6 176.000 175.136 0.864 1
1 65 . 10 1 1 A 6 6 LYS CA C 6 56.800 57.539 -0.739 1
1 66 . 10 1 1 A 6 6 LYS CB C 6 33.000 31.843 1.157 1
1 70 . 10 1 1 A 6 6 LYS N N 6 123.400 122.876 0.524 1
1 71 . 10 1 1 A 7 7 TYR H H 7 8.150 8.054 0.096 1
1 72 . 10 1 1 A 7 7 TYR HA H 7 4.640 4.513 0.127 1
1 79 . 10 1 1 A 7 7 TYR C C 7 175.400 174.927 0.473 1
1 80 . 10 1 1 A 7 7 TYR CA C 7 56.700 60.453 -3.753 1
1 81 . 10 1 1 A 7 7 TYR CB C 7 39.300 37.169 2.131 1
1 86 . 10 1 1 A 7 7 TYR N N 7 120.000 117.831 2.169 1
1 87 . 10 1 1 A 8 8 SER H H 8 8.360 8.484 -0.124 1
1 88 . 10 1 1 A 8 8 SER HA H 8 4.400 4.545 -0.145 1
1 91 . 10 1 1 A 8 8 SER C C 8 174.700 175.457 -0.757 1
1 92 . 10 1 1 A 8 8 SER CA C 8 57.600 57.247 0.353 1
1 93 . 10 1 1 A 8 8 SER CB C 8 64.000 63.194 0.806 1
1 94 . 10 1 1 A 8 8 SER N N 8 118.100 118.118 -0.018 1
1 95 . 10 1 1 A 9 9 ASN H H 9 8.900 8.956 -0.056 1
1 96 . 10 1 1 A 9 9 ASN HA H 9 4.400 4.406 -0.006 1
1 101 . 10 1 1 A 9 9 ASN C C 9 176.800 177.355 -0.555 1
1 102 . 10 1 1 A 9 9 ASN CA C 9 55.900 57.176 -1.276 1
1 103 . 10 1 1 A 9 9 ASN CB C 9 38.300 38.114 0.186 1
1 105 . 10 1 1 A 9 9 ASN N N 9 122.300 126.662 -4.362 1
1 107 . 10 1 1 A 10 10 GLU H H 10 8.740 8.214 0.526 1
1 108 . 10 1 1 A 10 10 GLU HA H 10 4.000 4.024 -0.024 1
1 113 . 10 1 1 A 10 10 GLU C C 10 178.500 179.302 -0.802 1
1 114 . 10 1 1 A 10 10 GLU CA C 10 59.900 59.505 0.395 1
1 115 . 10 1 1 A 10 10 GLU CB C 10 29.000 29.558 -0.558 1
1 117 . 10 1 1 A 10 10 GLU N N 10 119.000 120.019 -1.019 1
1 118 . 10 1 1 A 11 11 ARG H H 11 7.750 7.440 0.310 1
1 119 . 10 1 1 A 11 11 ARG HA H 11 4.070 4.164 -0.094 1
1 127 . 10 1 1 A 11 11 ARG C C 11 178.000 178.702 -0.702 1
1 128 . 10 1 1 A 11 11 ARG CA C 11 58.800 58.635 0.165 1
1 129 . 10 1 1 A 11 11 ARG CB C 11 30.100 29.937 0.163 1
1 132 . 10 1 1 A 11 11 ARG N N 11 121.500 120.378 1.122 1
1 134 . 10 1 1 A 12 12 VAL H H 12 7.830 8.649 -0.819 1
1 135 . 10 1 1 A 12 12 VAL HA H 12 3.420 3.513 -0.093 1
1 143 . 10 1 1 A 12 12 VAL C C 12 177.400 177.766 -0.366 1
1 144 . 10 1 1 A 12 12 VAL CA C 12 67.000 66.783 0.217 1
1 145 . 10 1 1 A 12 12 VAL CB C 12 32.100 31.540 0.560 1
1 148 . 10 1 1 A 12 12 VAL N N 12 118.800 119.873 -1.073 1
1 149 . 10 1 1 A 13 13 GLU H H 13 8.220 8.360 -0.140 1
1 150 . 10 1 1 A 13 13 GLU HA H 13 3.890 3.971 -0.081 1
1 155 . 10 1 1 A 13 13 GLU C C 13 178.900 179.343 -0.443 1
1 156 . 10 1 1 A 13 13 GLU CA C 13 59.500 59.586 -0.086 1
1 157 . 10 1 1 A 13 13 GLU CB C 13 29.000 29.216 -0.216 1
1 159 . 10 1 1 A 13 13 GLU N N 13 116.800 118.597 -1.797 1
1 160 . 10 1 1 A 14 14 LYS H H 14 7.600 7.732 -0.132 1
1 161 . 10 1 1 A 14 14 LYS HA H 14 4.030 4.145 -0.115 1
1 170 . 10 1 1 A 14 14 LYS C C 14 177.700 178.855 -1.155 1
1 171 . 10 1 1 A 14 14 LYS CA C 14 59.100 58.791 0.309 1
1 172 . 10 1 1 A 14 14 LYS CB C 14 32.100 32.557 -0.457 1
1 176 . 10 1 1 A 14 14 LYS N N 14 120.400 120.999 -0.599 1
1 177 . 10 1 1 A 15 15 ILE H H 15 7.830 8.160 -0.330 1
1 178 . 10 1 1 A 15 15 ILE HA H 15 3.630 3.637 -0.007 1
1 188 . 10 1 1 A 15 15 ILE C C 15 178.200 178.106 0.094 1
1 189 . 10 1 1 A 15 15 ILE CA C 15 65.700 65.623 0.077 1
1 190 . 10 1 1 A 15 15 ILE CB C 15 37.500 37.636 -0.136 1
1 194 . 10 1 1 A 15 15 ILE N N 15 119.700 119.516 0.184 1
1 195 . 10 1 1 A 16 16 ILE H H 16 8.080 8.364 -0.284 1
1 196 . 10 1 1 A 16 16 ILE HA H 16 3.360 3.510 -0.150 1
1 206 . 10 1 1 A 16 16 ILE C C 16 177.500 178.187 -0.687 1
1 207 . 10 1 1 A 16 16 ILE CA C 16 66.600 65.484 1.116 1
1 208 . 10 1 1 A 16 16 ILE CB C 16 38.300 37.856 0.444 1
1 212 . 10 1 1 A 16 16 ILE N N 16 117.900 120.828 -2.928 1
1 213 . 10 1 1 A 17 17 GLN H H 17 8.010 8.352 -0.342 1
1 214 . 10 1 1 A 17 17 GLN HA H 17 3.830 3.920 -0.090 1
1 221 . 10 1 1 A 17 17 GLN C C 17 178.000 177.470 0.530 1
1 222 . 10 1 1 A 17 17 GLN CA C 17 58.400 58.983 -0.583 1
1 223 . 10 1 1 A 17 17 GLN CB C 17 28.100 28.303 -0.203 1
1 225 . 10 1 1 A 17 17 GLN N N 17 117.900 120.319 -2.419 1
1 227 . 10 1 1 A 18 18 ASP H H 18 8.710 8.676 0.034 1
1 228 . 10 1 1 A 18 18 ASP HA H 18 4.400 4.448 -0.048 1
1 231 . 10 1 1 A 18 18 ASP C C 18 179.800 178.832 0.968 1
1 232 . 10 1 1 A 18 18 ASP CA C 18 57.400 57.587 -0.187 1
1 233 . 10 1 1 A 18 18 ASP CB C 18 39.900 41.542 -1.642 1
1 234 . 10 1 1 A 18 18 ASP N N 18 121.000 119.830 1.170 1
1 235 . 10 1 1 A 19 19 LEU H H 19 8.260 8.282 -0.022 1
1 236 . 10 1 1 A 19 19 LEU HA H 19 4.010 4.062 -0.052 1
1 246 . 10 1 1 A 19 19 LEU C C 19 178.200 179.652 -1.452 1
1 247 . 10 1 1 A 19 19 LEU CA C 19 58.100 58.084 0.016 1
1 248 . 10 1 1 A 19 19 LEU CB C 19 42.400 41.768 0.632 1
1 252 . 10 1 1 A 19 19 LEU N N 19 120.800 119.978 0.822 1
1 253 . 10 1 1 A 20 20 LEU H H 20 8.160 8.437 -0.277 1
1 254 . 10 1 1 A 20 20 LEU HA H 20 3.940 3.942 -0.002 1
1 264 . 10 1 1 A 20 20 LEU C C 20 180.100 179.172 0.928 1
1 265 . 10 1 1 A 20 20 LEU CA C 20 57.900 57.752 0.148 1
1 266 . 10 1 1 A 20 20 LEU CB C 20 40.800 41.008 -0.208 1
1 270 . 10 1 1 A 20 20 LEU N N 20 117.300 119.341 -2.041 1
1 271 . 10 1 1 A 21 21 ASP H H 21 9.000 8.367 0.633 1
1 272 . 10 1 1 A 21 21 ASP HA H 21 4.420 4.409 0.011 1
1 275 . 10 1 1 A 21 21 ASP C C 21 179.000 178.748 0.252 1
1 276 . 10 1 1 A 21 21 ASP CA C 21 57.300 57.513 -0.213 1
1 277 . 10 1 1 A 21 21 ASP CB C 21 40.500 40.793 -0.293 1
1 278 . 10 1 1 A 21 21 ASP N N 21 120.000 120.173 -0.173 1
1 279 . 10 1 1 A 22 22 VAL H H 22 7.370 7.857 -0.487 1
1 280 . 10 1 1 A 22 22 VAL HA H 22 3.600 3.585 0.015 1
1 288 . 10 1 1 A 22 22 VAL C C 22 177.700 178.118 -0.418 1
1 289 . 10 1 1 A 22 22 VAL CA C 22 66.300 66.773 -0.473 1
1 290 . 10 1 1 A 22 22 VAL CB C 22 32.000 31.396 0.604 1
1 293 . 10 1 1 A 22 22 VAL N N 22 119.800 120.050 -0.250 1
1 294 . 10 1 1 A 23 23 LEU H H 23 6.880 7.985 -1.105 1
1 295 . 10 1 1 A 23 23 LEU HA H 23 3.880 3.953 -0.073 1
1 305 . 10 1 1 A 23 23 LEU C C 23 179.100 179.329 -0.229 1
1 306 . 10 1 1 A 23 23 LEU CA C 23 57.100 58.085 -0.985 1
1 307 . 10 1 1 A 23 23 LEU CB C 23 40.600 41.694 -1.094 1
1 311 . 10 1 1 A 23 23 LEU N N 23 116.500 119.459 -2.959 1
1 312 . 10 1 1 A 24 24 VAL H H 24 8.430 8.182 0.248 1
1 313 . 10 1 1 A 24 24 VAL HA H 24 3.780 3.633 0.147 1
1 321 . 10 1 1 A 24 24 VAL C C 24 180.800 177.970 2.830 1
1 322 . 10 1 1 A 24 24 VAL CA C 24 65.900 66.950 -1.050 1
1 323 . 10 1 1 A 24 24 VAL CB C 24 32.200 31.437 0.763 1
1 326 . 10 1 1 A 24 24 VAL N N 24 120.300 119.689 0.611 1
1 327 . 10 1 1 A 25 25 LYS H H 25 8.380 8.365 0.015 1
1 328 . 10 1 1 A 25 25 LYS HA H 25 4.030 3.989 0.041 1
1 337 . 10 1 1 A 25 25 LYS C C 25 178.500 178.450 0.050 1
1 338 . 10 1 1 A 25 25 LYS CA C 25 59.400 59.200 0.200 1
1 339 . 10 1 1 A 25 25 LYS CB C 25 32.300 32.274 0.026 1
1 343 . 10 1 1 A 25 25 LYS N N 25 121.900 119.852 2.048 1
1 344 . 10 1 1 A 26 26 GLU H H 26 7.360 7.910 -0.550 1
1 345 . 10 1 1 A 26 26 GLU HA H 26 4.330 4.415 -0.085 1
1 350 . 10 1 1 A 26 26 GLU C C 26 175.000 175.675 -0.675 1
1 351 . 10 1 1 A 26 26 GLU CA C 26 56.000 56.500 -0.500 1
1 352 . 10 1 1 A 26 26 GLU CB C 26 29.800 29.805 -0.005 1
1 354 . 10 1 1 A 26 26 GLU N N 26 115.000 115.753 -0.753 1
1 355 . 10 1 1 A 27 27 GLU H H 27 7.980 7.866 0.114 1
1 356 . 10 1 1 A 27 27 GLU HA H 27 3.950 3.820 0.130 1
1 361 . 10 1 1 A 27 27 GLU C C 27 175.900 175.064 0.836 1
1 362 . 10 1 1 A 27 27 GLU CA C 27 56.900 57.323 -0.423 1
1 363 . 10 1 1 A 27 27 GLU CB C 27 27.100 27.277 -0.177 1
1 365 . 10 1 1 A 27 27 GLU N N 27 116.300 116.777 -0.477 1
1 366 . 10 1 1 A 28 28 VAL H H 28 7.370 7.643 -0.273 1
1 367 . 10 1 1 A 28 28 VAL HA H 28 4.200 4.187 0.013 1
1 375 . 10 1 1 A 28 28 VAL C C 28 176.700 175.863 0.837 1
1 376 . 10 1 1 A 28 28 VAL CA C 28 61.600 61.928 -0.328 1
1 377 . 10 1 1 A 28 28 VAL CB C 28 32.600 32.650 -0.050 1
1 380 . 10 1 1 A 28 28 VAL N N 28 112.200 115.947 -3.747 1
1 381 . 10 1 1 A 29 29 THR H H 29 7.400 8.397 -0.997 1
1 382 . 10 1 1 A 29 29 THR HA H 29 4.640 4.607 0.033 1
1 387 . 10 1 1 A 29 29 THR CA C 29 59.900 60.372 -0.472 1
1 388 . 10 1 1 A 29 29 THR CB C 29 67.900 68.886 -0.986 1
1 390 . 10 1 1 A 29 29 THR N N 29 113.900 120.005 -6.105 1
1 391 . 10 1 1 A 30 30 PRO HA H 30 4.130 4.300 -0.170 1
1 398 . 10 1 1 A 30 30 PRO C C 30 177.600 178.689 -1.089 1
1 399 . 10 1 1 A 30 30 PRO CA C 30 66.300 66.012 0.288 1
1 400 . 10 1 1 A 30 30 PRO CB C 30 31.500 31.536 -0.036 1
1 403 . 10 1 1 A 31 31 ASP H H 31 8.390 8.467 -0.077 1
1 404 . 10 1 1 A 31 31 ASP HA H 31 4.240 4.329 -0.089 1
1 407 . 10 1 1 A 31 31 ASP C C 31 178.900 178.939 -0.039 1
1 408 . 10 1 1 A 31 31 ASP CA C 31 57.000 57.543 -0.543 1
1 409 . 10 1 1 A 31 31 ASP CB C 31 40.000 40.358 -0.358 1
1 410 . 10 1 1 A 31 31 ASP N N 31 113.200 117.351 -4.151 1
1 411 . 10 1 1 A 32 32 LEU H H 32 7.460 8.054 -0.594 1
1 412 . 10 1 1 A 32 32 LEU HA H 32 4.190 4.154 0.036 1
1 422 . 10 1 1 A 32 32 LEU C C 32 178.900 178.454 0.446 1
1 423 . 10 1 1 A 32 32 LEU CA C 32 57.000 57.861 -0.861 1
1 424 . 10 1 1 A 32 32 LEU CB C 32 41.300 41.301 -0.001 1
1 428 . 10 1 1 A 32 32 LEU N N 32 123.000 121.297 1.703 1
1 429 . 10 1 1 A 33 33 ALA H H 33 8.930 8.703 0.227 1
1 430 . 10 1 1 A 33 33 ALA HA H 33 3.730 4.159 -0.429 1
1 434 . 10 1 1 A 33 33 ALA C C 33 179.800 179.958 -0.158 1
1 435 . 10 1 1 A 33 33 ALA CA C 33 55.900 55.343 0.557 1
1 436 . 10 1 1 A 33 33 ALA CB C 33 19.100 18.316 0.784 1
1 437 . 10 1 1 A 33 33 ALA N N 33 122.700 121.004 1.696 1
1 438 . 10 1 1 A 34 34 LEU H H 34 8.420 8.284 0.136 1
1 439 . 10 1 1 A 34 34 LEU HA H 34 4.010 3.884 0.126 1
1 449 . 10 1 1 A 34 34 LEU C C 34 179.700 178.761 0.939 1
1 450 . 10 1 1 A 34 34 LEU CA C 34 58.200 58.154 0.046 1
1 451 . 10 1 1 A 34 34 LEU CB C 34 41.200 41.643 -0.443 1
1 455 . 10 1 1 A 34 34 LEU N N 34 115.800 118.347 -2.547 1
1 456 . 10 1 1 A 35 35 MET H H 35 7.730 8.279 -0.549 1
1 457 . 10 1 1 A 35 35 MET HA H 35 4.240 4.117 0.123 1
1 465 . 10 1 1 A 35 35 MET C C 35 179.500 178.124 1.376 1
1 466 . 10 1 1 A 35 35 MET CA C 35 59.300 58.704 0.596 1
1 467 . 10 1 1 A 35 35 MET CB C 35 32.900 32.028 0.872 1
1 470 . 10 1 1 A 35 35 MET N N 35 121.400 118.548 2.852 1
1 471 . 10 1 1 A 36 36 CYS H H 36 8.420 8.322 0.098 1
1 472 . 10 1 1 A 36 36 CYS HA H 36 3.950 4.149 -0.199 1
1 475 . 10 1 1 A 36 36 CYS C C 36 177.000 177.186 -0.186 1
1 476 . 10 1 1 A 36 36 CYS CA C 36 64.200 63.446 0.754 1
1 477 . 10 1 1 A 36 36 CYS CB C 36 27.200 27.820 -0.620 1
1 478 . 10 1 1 A 36 36 CYS N N 36 118.600 117.779 0.821 1
1 479 . 10 1 1 A 37 37 LEU H H 37 9.020 8.636 0.384 1
1 480 . 10 1 1 A 37 37 LEU HA H 37 3.940 3.992 -0.052 1
1 490 . 10 1 1 A 37 37 LEU C C 37 179.100 179.318 -0.218 1
1 491 . 10 1 1 A 37 37 LEU CA C 37 58.300 58.688 -0.388 1
1 492 . 10 1 1 A 37 37 LEU CB C 37 42.200 42.043 0.157 1
1 496 . 10 1 1 A 37 37 LEU N N 37 119.600 120.706 -1.106 1
1 497 . 10 1 1 A 38 38 GLY H H 38 8.940 8.769 0.171 1
1 498 . 10 1 1 A 38 38 GLY HA2 H 38 3.610 3.748 -0.138 1
1 499 . 10 1 1 A 38 38 GLY HA3 H 38 3.970 3.758 0.212 1
1 500 . 10 1 1 A 38 38 GLY C C 38 179.800 176.092 3.708 1
1 501 . 10 1 1 A 38 38 GLY CA C 38 47.900 47.500 0.400 1
1 502 . 10 1 1 A 38 38 GLY N N 38 106.600 105.880 0.720 1
1 503 . 10 1 1 A 39 39 ASN H H 39 7.790 7.634 0.156 1
1 504 . 10 1 1 A 39 39 ASN HA H 39 4.440 4.478 -0.038 1
1 509 . 10 1 1 A 39 39 ASN C C 39 178.000 177.846 0.154 1
1 510 . 10 1 1 A 39 39 ASN CA C 39 56.300 56.255 0.045 1
1 511 . 10 1 1 A 39 39 ASN CB C 39 39.500 38.291 1.209 1
1 513 . 10 1 1 A 39 39 ASN N N 39 120.900 120.284 0.616 1
1 515 . 10 1 1 A 40 40 ALA H H 40 8.260 7.522 0.738 1
1 516 . 10 1 1 A 40 40 ALA HA H 40 3.970 4.077 -0.107 1
1 520 . 10 1 1 A 40 40 ALA C C 40 178.200 179.613 -1.413 1
1 521 . 10 1 1 A 40 40 ALA CA C 40 55.900 55.100 0.800 1
1 522 . 10 1 1 A 40 40 ALA CB C 40 17.200 18.344 -1.144 1
1 523 . 10 1 1 A 40 40 ALA N N 40 123.900 123.166 0.734 1
1 524 . 10 1 1 A 41 41 VAL H H 41 8.410 8.131 0.279 1
1 525 . 10 1 1 A 41 41 VAL HA H 41 3.180 3.372 -0.192 1
1 533 . 10 1 1 A 41 41 VAL C C 41 177.800 178.280 -0.480 1
1 534 . 10 1 1 A 41 41 VAL CA C 41 67.000 67.105 -0.105 1
1 535 . 10 1 1 A 41 41 VAL CB C 41 30.900 31.456 -0.556 1
1 538 . 10 1 1 A 41 41 VAL N N 41 116.900 117.724 -0.824 1
1 539 . 10 1 1 A 42 42 THR H H 42 8.210 8.210 0.000 1
1 540 . 10 1 1 A 42 42 THR HA H 42 3.430 3.914 -0.484 1
1 545 . 10 1 1 A 42 42 THR C C 42 175.900 176.589 -0.689 1
1 546 . 10 1 1 A 42 42 THR CA C 42 67.500 66.610 0.890 1
1 547 . 10 1 1 A 42 42 THR CB C 42 68.000 68.219 -0.219 1
1 549 . 10 1 1 A 42 42 THR N N 42 114.800 115.429 -0.629 1
1 550 . 10 1 1 A 43 43 ASN H H 43 7.600 7.968 -0.368 1
1 551 . 10 1 1 A 43 43 ASN HA H 43 4.170 4.460 -0.290 1
1 556 . 10 1 1 A 43 43 ASN C C 43 177.300 177.358 -0.058 1
1 557 . 10 1 1 A 43 43 ASN CA C 43 57.000 56.526 0.474 1
1 558 . 10 1 1 A 43 43 ASN CB C 43 39.400 38.779 0.621 1
1 560 . 10 1 1 A 43 43 ASN N N 43 120.300 118.498 1.802 1
1 562 . 10 1 1 A 44 44 ILE H H 44 7.630 7.485 0.145 1
1 563 . 10 1 1 A 44 44 ILE HA H 44 3.770 3.921 -0.151 1
1 573 . 10 1 1 A 44 44 ILE C C 44 179.200 178.013 1.187 1
1 574 . 10 1 1 A 44 44 ILE CA C 44 62.100 62.962 -0.862 1
1 575 . 10 1 1 A 44 44 ILE CB C 44 35.700 37.577 -1.877 1
1 579 . 10 1 1 A 44 44 ILE N N 44 119.700 119.378 0.322 1
1 580 . 10 1 1 A 45 45 ILE H H 45 8.460 8.036 0.424 1
1 581 . 10 1 1 A 45 45 ILE HA H 45 3.550 3.720 -0.170 1
1 591 . 10 1 1 A 45 45 ILE C C 45 177.100 178.470 -1.370 1
1 592 . 10 1 1 A 45 45 ILE CA C 45 65.100 65.031 0.069 1
1 593 . 10 1 1 A 45 45 ILE CB C 45 36.600 36.909 -0.309 1
1 597 . 10 1 1 A 45 45 ILE N N 45 120.300 121.156 -0.856 1
1 598 . 10 1 1 A 46 46 ALA H H 46 7.750 7.903 -0.153 1
1 599 . 10 1 1 A 46 46 ALA HA H 46 3.950 4.069 -0.119 1
1 603 . 10 1 1 A 46 46 ALA C C 46 178.000 178.501 -0.501 1
1 604 . 10 1 1 A 46 46 ALA CA C 46 54.000 54.689 -0.689 1
1 605 . 10 1 1 A 46 46 ALA CB C 46 17.900 18.136 -0.236 1
1 606 . 10 1 1 A 46 46 ALA N N 46 120.000 123.242 -3.242 1
1 607 . 10 1 1 A 47 47 GLN H H 47 7.610 7.589 0.021 1
1 608 . 10 1 1 A 47 47 GLN HA H 47 4.190 4.347 -0.157 1
1 615 . 10 1 1 A 47 47 GLN C C 47 177.100 176.738 0.362 1
1 616 . 10 1 1 A 47 47 GLN CA C 47 56.000 56.933 -0.933 1
1 617 . 10 1 1 A 47 47 GLN CB C 47 29.000 29.357 -0.357 1
1 620 . 10 1 1 A 47 47 GLN N N 47 114.000 115.255 -1.255 1
1 622 . 10 1 1 A 48 48 VAL H H 48 7.740 7.344 0.396 1
1 623 . 10 1 1 A 48 48 VAL HA H 48 4.390 4.104 0.286 1
1 631 . 10 1 1 A 48 48 VAL CA C 48 59.900 61.213 -1.313 1
1 632 . 10 1 1 A 48 48 VAL CB C 48 31.900 32.205 -0.305 1
1 635 . 10 1 1 A 48 48 VAL N N 48 122.400 121.853 0.547 1
1 636 . 10 1 1 A 49 49 PRO HA H 49 4.340 4.507 -0.167 1
1 643 . 10 1 1 A 49 49 PRO C C 49 177.700 177.795 -0.095 1
1 644 . 10 1 1 A 49 49 PRO CA C 49 63.700 63.218 0.482 1
1 645 . 10 1 1 A 49 49 PRO CB C 49 32.300 32.664 -0.364 1
1 648 . 10 1 1 A 50 50 GLU H H 50 8.960 8.645 0.315 1
1 649 . 10 1 1 A 50 50 GLU HA H 50 3.580 3.946 -0.366 1
1 654 . 10 1 1 A 50 50 GLU C C 50 178.300 178.791 -0.491 1
1 655 . 10 1 1 A 50 50 GLU CA C 50 60.800 60.020 0.780 1
1 656 . 10 1 1 A 50 50 GLU CB C 50 29.900 29.436 0.464 1
1 658 . 10 1 1 A 50 50 GLU N N 50 124.400 123.346 1.054 1
1 659 . 10 1 1 A 51 51 SER H H 51 8.640 8.261 0.379 1
1 660 . 10 1 1 A 51 51 SER HA H 51 4.240 4.220 0.020 1
1 663 . 10 1 1 A 51 51 SER C C 51 175.200 175.017 0.183 1
1 664 . 10 1 1 A 51 51 SER CA C 51 60.600 60.943 -0.343 1
1 665 . 10 1 1 A 51 51 SER CB C 51 62.600 63.331 -0.731 1
1 666 . 10 1 1 A 51 51 SER N N 51 112.000 116.034 -4.034 1
1 667 . 10 1 1 A 52 52 LYS H H 52 7.950 8.154 -0.204 1
1 668 . 10 1 1 A 52 52 LYS HA H 52 4.650 4.509 0.141 1
1 677 . 10 1 1 A 52 52 LYS C C 52 176.700 178.249 -1.549 1
1 678 . 10 1 1 A 52 52 LYS CA C 52 55.500 56.349 -0.849 1
1 679 . 10 1 1 A 52 52 LYS CB C 52 34.000 33.311 0.689 1
1 683 . 10 1 1 A 52 52 LYS N N 52 119.600 117.551 2.049 1
1 684 . 10 1 1 A 53 53 ARG H H 53 7.290 7.672 -0.382 1
1 685 . 10 1 1 A 53 53 ARG HA H 53 3.530 4.122 -0.592 1
1 695 . 10 1 1 A 53 53 ARG C C 53 177.300 178.648 -1.348 1
1 696 . 10 1 1 A 53 53 ARG CA C 53 61.700 58.655 3.045 1
1 697 . 10 1 1 A 53 53 ARG CB C 53 30.800 30.017 0.783 1
1 700 . 10 1 1 A 53 53 ARG N N 53 119.000 120.773 -1.773 1
1 702 . 10 1 1 A 54 54 VAL H H 54 8.440 7.784 0.656 1
1 703 . 10 1 1 A 54 54 VAL HA H 54 3.460 3.672 -0.212 1
1 711 . 10 1 1 A 54 54 VAL C C 54 177.400 177.863 -0.463 1
1 712 . 10 1 1 A 54 54 VAL CA C 54 67.200 66.364 0.836 1
1 713 . 10 1 1 A 54 54 VAL CB C 54 31.000 31.419 -0.419 1
1 716 . 10 1 1 A 54 54 VAL N N 54 118.400 120.065 -1.665 1
1 717 . 10 1 1 A 55 55 ALA H H 55 8.120 8.266 -0.146 1
1 718 . 10 1 1 A 55 55 ALA HA H 55 4.180 3.993 0.187 1
1 722 . 10 1 1 A 55 55 ALA C C 55 180.700 179.452 1.248 1
1 723 . 10 1 1 A 55 55 ALA CA C 55 55.000 55.462 -0.462 1
1 724 . 10 1 1 A 55 55 ALA CB C 55 17.900 18.110 -0.210 1
1 725 . 10 1 1 A 55 55 ALA N N 55 122.300 122.094 0.206 1
1 726 . 10 1 1 A 56 56 VAL H H 56 8.040 7.981 0.059 1
1 727 . 10 1 1 A 56 56 VAL HA H 56 3.780 3.757 0.023 1
1 735 . 10 1 1 A 56 56 VAL C C 56 179.400 178.100 1.300 1
1 736 . 10 1 1 A 56 56 VAL CA C 56 66.700 65.598 1.102 1
1 737 . 10 1 1 A 56 56 VAL CB C 56 31.400 31.687 -0.287 1
1 740 . 10 1 1 A 56 56 VAL N N 56 117.900 116.958 0.942 1
1 741 . 10 1 1 A 57 57 VAL H H 57 8.510 7.370 1.140 1
1 742 . 10 1 1 A 57 57 VAL HA H 57 3.760 3.859 -0.099 1
1 750 . 10 1 1 A 57 57 VAL C C 57 177.900 177.582 0.318 1
1 751 . 10 1 1 A 57 57 VAL CA C 57 66.700 65.171 1.529 1
1 752 . 10 1 1 A 57 57 VAL CB C 57 31.400 31.635 -0.235 1
1 755 . 10 1 1 A 57 57 VAL N N 57 121.600 122.572 -0.972 1
1 756 . 10 1 1 A 58 58 ASP H H 58 8.800 8.345 0.455 1
1 757 . 10 1 1 A 58 58 ASP HA H 58 4.420 4.369 0.051 1
1 760 . 10 1 1 A 58 58 ASP C C 58 178.500 179.355 -0.855 1
1 761 . 10 1 1 A 58 58 ASP CA C 58 57.800 57.615 0.185 1
1 762 . 10 1 1 A 58 58 ASP CB C 58 40.000 40.433 -0.433 1
1 763 . 10 1 1 A 58 58 ASP N N 58 124.800 122.526 2.274 1
1 764 . 10 1 1 A 59 59 ASN H H 59 8.500 8.517 -0.017 1
1 765 . 10 1 1 A 59 59 ASN HA H 59 4.460 4.530 -0.070 1
1 770 . 10 1 1 A 59 59 ASN C C 59 177.700 177.721 -0.021 1
1 771 . 10 1 1 A 59 59 ASN CA C 59 56.500 56.192 0.308 1
1 772 . 10 1 1 A 59 59 ASN CB C 59 38.300 38.360 -0.060 1
1 774 . 10 1 1 A 59 59 ASN N N 59 118.800 117.470 1.330 1
1 776 . 10 1 1 A 60 60 PHE H H 60 8.540 7.855 0.685 1
1 777 . 10 1 1 A 60 60 PHE HA H 60 4.210 4.161 0.049 1
1 785 . 10 1 1 A 60 60 PHE C C 60 177.700 177.660 0.040 1
1 786 . 10 1 1 A 60 60 PHE CA C 60 61.600 61.517 0.083 1
1 787 . 10 1 1 A 60 60 PHE CB C 60 39.800 39.048 0.752 1
1 793 . 10 1 1 A 60 60 PHE N N 60 121.800 123.181 -1.381 1
1 794 . 10 1 1 A 61 61 THR H H 61 8.820 8.589 0.231 1
1 795 . 10 1 1 A 61 61 THR HA H 61 3.820 4.052 -0.232 1
1 801 . 10 1 1 A 61 61 THR C C 61 176.700 176.743 -0.043 1
1 802 . 10 1 1 A 61 61 THR CA C 61 66.200 66.056 0.144 1
1 803 . 10 1 1 A 61 61 THR CB C 61 68.400 68.433 -0.033 1
1 805 . 10 1 1 A 61 61 THR N N 61 112.200 111.370 0.830 1
1 806 . 10 1 1 A 62 62 LYS H H 62 8.190 8.211 -0.021 1
1 807 . 10 1 1 A 62 62 LYS HA H 62 4.010 3.976 0.034 1
1 816 . 10 1 1 A 62 62 LYS C C 62 179.100 178.495 0.605 1
1 817 . 10 1 1 A 62 62 LYS CA C 62 60.100 59.438 0.662 1
1 818 . 10 1 1 A 62 62 LYS CB C 62 32.500 32.372 0.128 1
1 822 . 10 1 1 A 62 62 LYS N N 62 124.000 121.937 2.063 1
1 823 . 10 1 1 A 63 63 ALA H H 63 7.800 8.206 -0.406 1
1 824 . 10 1 1 A 63 63 ALA HA H 63 4.070 4.040 0.030 1
1 828 . 10 1 1 A 63 63 ALA C C 63 180.400 179.792 0.608 1
1 829 . 10 1 1 A 63 63 ALA CA C 63 54.700 54.948 -0.248 1
1 830 . 10 1 1 A 63 63 ALA CB C 63 17.800 17.849 -0.049 1
1 831 . 10 1 1 A 63 63 ALA N N 63 121.500 120.710 0.790 1
1 832 . 10 1 1 A 64 64 LEU H H 64 7.850 8.131 -0.281 1
1 833 . 10 1 1 A 64 64 LEU HA H 64 3.900 3.777 0.123 1
1 843 . 10 1 1 A 64 64 LEU C C 64 178.600 178.768 -0.168 1
1 844 . 10 1 1 A 64 64 LEU CA C 64 57.300 57.789 -0.489 1
1 845 . 10 1 1 A 64 64 LEU CB C 64 41.900 41.705 0.195 1
1 849 . 10 1 1 A 64 64 LEU N N 64 120.100 118.854 1.246 1
1 850 . 10 1 1 A 65 65 LYS H H 65 7.970 7.775 0.195 1
1 851 . 10 1 1 A 65 65 LYS HA H 65 3.730 3.939 -0.209 1
1 860 . 10 1 1 A 65 65 LYS C C 65 178.300 179.807 -1.507 1
1 861 . 10 1 1 A 65 65 LYS CA C 65 60.400 60.205 0.195 1
1 862 . 10 1 1 A 65 65 LYS CB C 65 31.900 32.000 -0.100 1
1 866 . 10 1 1 A 65 65 LYS N N 65 118.100 117.116 0.984 1
1 867 . 10 1 1 A 66 66 GLN H H 66 7.820 7.787 0.033 1
1 868 . 10 1 1 A 66 66 GLN HA H 66 3.950 4.018 -0.068 1
1 875 . 10 1 1 A 66 66 GLN C C 66 178.000 178.856 -0.856 1
1 876 . 10 1 1 A 66 66 GLN CA C 66 58.700 58.897 -0.197 1
1 877 . 10 1 1 A 66 66 GLN CB C 66 28.200 28.362 -0.162 1
1 880 . 10 1 1 A 66 66 GLN N N 66 116.800 119.428 -2.628 1
1 882 . 10 1 1 A 67 67 SER H H 67 8.060 7.875 0.185 1
1 883 . 10 1 1 A 67 67 SER HA H 67 4.150 4.248 -0.098 1
1 886 . 10 1 1 A 67 67 SER C C 67 176.900 177.467 -0.567 1
1 887 . 10 1 1 A 67 67 SER CA C 67 61.500 61.231 0.269 1
1 888 . 10 1 1 A 67 67 SER CB C 67 63.000 62.791 0.209 1
1 889 . 10 1 1 A 67 67 SER N N 67 114.200 115.651 -1.451 1
1 890 . 10 1 1 A 68 68 VAL H H 68 7.860 8.265 -0.405 1
1 891 . 10 1 1 A 68 68 VAL HA H 68 3.850 3.745 0.105 1
1 899 . 10 1 1 A 68 68 VAL C C 68 177.600 178.365 -0.765 1
1 900 . 10 1 1 A 68 68 VAL CA C 68 64.900 66.457 -1.557 1
1 901 . 10 1 1 A 68 68 VAL CB C 68 32.000 31.410 0.590 1
1 904 . 10 1 1 A 68 68 VAL N N 68 119.300 121.902 -2.602 1
1 905 . 10 1 1 A 69 69 LEU H H 69 7.880 8.000 -0.120 1
1 906 . 10 1 1 A 69 69 LEU HA H 69 4.150 4.034 0.116 1
1 916 . 10 1 1 A 69 69 LEU C C 69 178.400 179.247 -0.847 1
1 917 . 10 1 1 A 69 69 LEU CA C 69 56.500 57.920 -1.420 1
1 918 . 10 1 1 A 69 69 LEU CB C 69 41.800 41.199 0.601 1
1 922 . 10 1 1 A 69 69 LEU N N 69 119.800 120.198 -0.398 1
1 923 . 10 1 1 A 70 70 GLU H H 70 7.820 7.933 -0.113 1
1 924 . 10 1 1 A 70 70 GLU HA H 70 4.130 4.125 0.005 1
1 929 . 10 1 1 A 70 70 GLU C C 70 176.700 177.968 -1.268 1
1 930 . 10 1 1 A 70 70 GLU CA C 70 56.900 59.153 -2.253 1
1 931 . 10 1 1 A 70 70 GLU CB C 70 29.800 30.334 -0.534 1
1 933 . 10 1 1 A 70 70 GLU N N 70 118.000 118.849 -0.849 1
1 934 . 10 1 1 A 71 71 HIS H H 71 7.950 8.762 -0.812 1
1 935 . 10 1 1 A 71 71 HIS HA H 71 4.460 4.617 -0.157 1
1 938 . 10 1 1 A 71 71 HIS C C 71 174.700 176.064 -1.364 1
1 939 . 10 1 1 A 71 71 HIS CA C 71 56.300 56.637 -0.337 1
1 940 . 10 1 1 A 71 71 HIS CB C 71 28.800 29.564 -0.764 1
1 941 . 10 1 1 A 71 71 HIS N N 71 117.800 121.167 -3.367 1
1 942 . 10 1 1 A 72 72 HIS H H 72 8.260 8.049 0.211 1
1 943 . 10 1 1 A 72 72 HIS HA H 72 4.590 4.133 0.457 1
1 946 . 10 1 1 A 72 72 HIS C C 72 174.500 174.895 -0.395 1
1 947 . 10 1 1 A 72 72 HIS CA C 72 55.700 59.193 -3.493 1
1 948 . 10 1 1 A 72 72 HIS CB C 72 29.600 30.153 -0.553 1
1 949 . 10 1 1 A 72 72 HIS N N 72 119.100 119.192 -0.092 1
1 950 . 10 1 1 A 73 73 HIS H H 73 8.420 7.613 0.807 1
1 951 . 10 1 1 A 73 73 HIS HA H 73 4.580 4.627 -0.047 1
1 954 . 10 1 1 A 73 73 HIS C C 73 174.400 173.290 1.110 1
1 955 . 10 1 1 A 73 73 HIS CA C 73 55.500 55.639 -0.139 1
1 956 . 10 1 1 A 73 73 HIS CB C 73 29.600 32.220 -2.620 1
1 957 . 10 1 1 A 73 73 HIS N N 73 119.700 115.174 4.526 1
1 958 . 10 1 1 A 74 74 HIS H H 74 8.470 8.997 -0.527 1
1 959 . 10 1 1 A 74 74 HIS HA H 74 4.570 4.739 -0.169 1
1 962 . 10 1 1 A 74 74 HIS C C 74 173.600 174.448 -0.848 1
1 963 . 10 1 1 A 74 74 HIS CA C 74 55.600 54.181 1.419 1
1 964 . 10 1 1 A 74 74 HIS CB C 74 29.500 28.425 1.075 1
1 965 . 10 1 1 A 74 74 HIS N N 74 120.500 126.139 -5.639 1
1 966 . 10 1 1 A 75 75 HIS H H 75 8.290 9.091 -0.801 1
1 967 . 10 1 1 A 75 75 HIS HA H 75 4.400 4.301 0.099 1
1 970 . 10 1 1 A 75 75 HIS CA C 75 57.100 57.709 -0.609 1
1 971 . 10 1 1 A 75 75 HIS CB C 75 29.700 31.039 -1.339 1
1 1 . 11 1 1 A 2 2 PRO HA H 2 4.400 4.533 -0.133 1
1 8 . 11 1 1 A 2 2 PRO C C 2 172.300 176.118 -3.818 1
1 9 . 11 1 1 A 2 2 PRO CA C 2 62.200 62.224 -0.024 1
1 10 . 11 1 1 A 2 2 PRO CB C 2 32.600 32.861 -0.261 1
1 13 . 11 1 1 A 3 3 ILE H H 3 8.630 8.393 0.237 1
1 14 . 11 1 1 A 3 3 ILE HA H 3 4.190 4.310 -0.120 1
1 24 . 11 1 1 A 3 3 ILE C C 3 176.100 175.560 0.540 1
1 25 . 11 1 1 A 3 3 ILE CA C 3 61.500 60.937 0.563 1
1 26 . 11 1 1 A 3 3 ILE CB C 3 38.600 38.755 -0.155 1
1 30 . 11 1 1 A 3 3 ILE N N 3 120.700 121.581 -0.881 1
1 31 . 11 1 1 A 4 4 VAL H H 4 8.380 8.854 -0.474 1
1 32 . 11 1 1 A 4 4 VAL HA H 4 4.140 3.798 0.342 1
1 40 . 11 1 1 A 4 4 VAL C C 4 175.800 175.438 0.362 1
1 41 . 11 1 1 A 4 4 VAL CA C 4 62.100 64.899 -2.799 1
1 42 . 11 1 1 A 4 4 VAL CB C 4 32.800 32.274 0.526 1
1 45 . 11 1 1 A 4 4 VAL N N 4 125.500 129.583 -4.083 1
1 46 . 11 1 1 A 5 5 SER H H 5 8.450 7.895 0.555 1
1 47 . 11 1 1 A 5 5 SER HA H 5 4.420 3.781 0.639 1
1 50 . 11 1 1 A 5 5 SER C C 5 174.300 173.595 0.705 1
1 51 . 11 1 1 A 5 5 SER CA C 5 57.900 58.564 -0.664 1
1 52 . 11 1 1 A 5 5 SER CB C 5 64.000 60.707 3.293 1
1 53 . 11 1 1 A 5 5 SER N N 5 120.500 114.772 5.728 1
1 54 . 11 1 1 A 6 6 LYS H H 6 8.330 7.702 0.628 1
1 55 . 11 1 1 A 6 6 LYS HA H 6 4.150 4.136 0.014 1
1 64 . 11 1 1 A 6 6 LYS C C 6 176.000 175.711 0.289 1
1 65 . 11 1 1 A 6 6 LYS CA C 6 56.800 57.883 -1.083 1
1 66 . 11 1 1 A 6 6 LYS CB C 6 33.000 33.485 -0.485 1
1 70 . 11 1 1 A 6 6 LYS N N 6 123.400 120.327 3.073 1
1 71 . 11 1 1 A 7 7 TYR H H 7 8.150 7.845 0.305 1
1 72 . 11 1 1 A 7 7 TYR HA H 7 4.640 4.556 0.084 1
1 79 . 11 1 1 A 7 7 TYR C C 7 175.400 174.018 1.382 1
1 80 . 11 1 1 A 7 7 TYR CA C 7 56.700 60.219 -3.519 1
1 81 . 11 1 1 A 7 7 TYR CB C 7 39.300 37.189 2.111 1
1 86 . 11 1 1 A 7 7 TYR N N 7 120.000 118.693 1.307 1
1 87 . 11 1 1 A 8 8 SER H H 8 8.360 8.727 -0.367 1
1 88 . 11 1 1 A 8 8 SER HA H 8 4.400 5.044 -0.644 1
1 91 . 11 1 1 A 8 8 SER C C 8 174.700 174.547 0.153 1
1 92 . 11 1 1 A 8 8 SER CA C 8 57.600 57.883 -0.283 1
1 93 . 11 1 1 A 8 8 SER CB C 8 64.000 65.342 -1.342 1
1 94 . 11 1 1 A 8 8 SER N N 8 118.100 116.984 1.116 1
1 95 . 11 1 1 A 9 9 ASN H H 9 8.900 9.251 -0.351 1
1 96 . 11 1 1 A 9 9 ASN HA H 9 4.400 4.403 -0.003 1
1 101 . 11 1 1 A 9 9 ASN C C 9 176.800 177.594 -0.794 1
1 102 . 11 1 1 A 9 9 ASN CA C 9 55.900 57.038 -1.138 1
1 103 . 11 1 1 A 9 9 ASN CB C 9 38.300 37.840 0.460 1
1 105 . 11 1 1 A 9 9 ASN N N 9 122.300 124.309 -2.009 1
1 107 . 11 1 1 A 10 10 GLU H H 10 8.740 8.601 0.139 1
1 108 . 11 1 1 A 10 10 GLU HA H 10 4.000 4.043 -0.043 1
1 113 . 11 1 1 A 10 10 GLU C C 10 178.500 178.907 -0.407 1
1 114 . 11 1 1 A 10 10 GLU CA C 10 59.900 59.197 0.703 1
1 115 . 11 1 1 A 10 10 GLU CB C 10 29.000 28.877 0.123 1
1 117 . 11 1 1 A 10 10 GLU N N 10 119.000 117.746 1.254 1
1 118 . 11 1 1 A 11 11 ARG H H 11 7.750 7.964 -0.214 1
1 119 . 11 1 1 A 11 11 ARG HA H 11 4.070 4.131 -0.061 1
1 127 . 11 1 1 A 11 11 ARG C C 11 178.000 178.721 -0.721 1
1 128 . 11 1 1 A 11 11 ARG CA C 11 58.800 58.843 -0.043 1
1 129 . 11 1 1 A 11 11 ARG CB C 11 30.100 29.980 0.120 1
1 132 . 11 1 1 A 11 11 ARG N N 11 121.500 120.292 1.208 1
1 134 . 11 1 1 A 12 12 VAL H H 12 7.830 7.746 0.084 1
1 135 . 11 1 1 A 12 12 VAL HA H 12 3.420 3.619 -0.199 1
1 143 . 11 1 1 A 12 12 VAL C C 12 177.400 177.756 -0.356 1
1 144 . 11 1 1 A 12 12 VAL CA C 12 67.000 66.474 0.526 1
1 145 . 11 1 1 A 12 12 VAL CB C 12 32.100 31.507 0.593 1
1 148 . 11 1 1 A 12 12 VAL N N 12 118.800 119.507 -0.707 1
1 149 . 11 1 1 A 13 13 GLU H H 13 8.220 8.393 -0.173 1
1 150 . 11 1 1 A 13 13 GLU HA H 13 3.890 3.948 -0.058 1
1 155 . 11 1 1 A 13 13 GLU C C 13 178.900 178.913 -0.013 1
1 156 . 11 1 1 A 13 13 GLU CA C 13 59.500 60.057 -0.557 1
1 157 . 11 1 1 A 13 13 GLU CB C 13 29.000 29.299 -0.299 1
1 159 . 11 1 1 A 13 13 GLU N N 13 116.800 120.186 -3.386 1
1 160 . 11 1 1 A 14 14 LYS H H 14 7.600 7.583 0.017 1
1 161 . 11 1 1 A 14 14 LYS HA H 14 4.030 4.157 -0.127 1
1 170 . 11 1 1 A 14 14 LYS C C 14 177.700 178.683 -0.983 1
1 171 . 11 1 1 A 14 14 LYS CA C 14 59.100 58.972 0.128 1
1 172 . 11 1 1 A 14 14 LYS CB C 14 32.100 32.397 -0.297 1
1 176 . 11 1 1 A 14 14 LYS N N 14 120.400 119.711 0.689 1
1 177 . 11 1 1 A 15 15 ILE H H 15 7.830 8.196 -0.366 1
1 178 . 11 1 1 A 15 15 ILE HA H 15 3.630 3.575 0.055 1
1 188 . 11 1 1 A 15 15 ILE C C 15 178.200 178.564 -0.364 1
1 189 . 11 1 1 A 15 15 ILE CA C 15 65.700 65.872 -0.172 1
1 190 . 11 1 1 A 15 15 ILE CB C 15 37.500 37.936 -0.436 1
1 194 . 11 1 1 A 15 15 ILE N N 15 119.700 119.461 0.239 1
1 195 . 11 1 1 A 16 16 ILE H H 16 8.080 8.165 -0.085 1
1 196 . 11 1 1 A 16 16 ILE HA H 16 3.360 3.530 -0.170 1
1 206 . 11 1 1 A 16 16 ILE C C 16 177.500 178.121 -0.621 1
1 207 . 11 1 1 A 16 16 ILE CA C 16 66.600 64.996 1.604 1
1 208 . 11 1 1 A 16 16 ILE CB C 16 38.300 37.575 0.725 1
1 212 . 11 1 1 A 16 16 ILE N N 16 117.900 120.804 -2.904 1
1 213 . 11 1 1 A 17 17 GLN H H 17 8.010 8.240 -0.230 1
1 214 . 11 1 1 A 17 17 GLN HA H 17 3.830 3.894 -0.064 1
1 221 . 11 1 1 A 17 17 GLN C C 17 178.000 178.171 -0.171 1
1 222 . 11 1 1 A 17 17 GLN CA C 17 58.400 59.723 -1.323 1
1 223 . 11 1 1 A 17 17 GLN CB C 17 28.100 28.019 0.081 1
1 225 . 11 1 1 A 17 17 GLN N N 17 117.900 121.602 -3.702 1
1 227 . 11 1 1 A 18 18 ASP H H 18 8.710 8.600 0.110 1
1 228 . 11 1 1 A 18 18 ASP HA H 18 4.400 4.427 -0.027 1
1 231 . 11 1 1 A 18 18 ASP C C 18 179.800 179.002 0.798 1
1 232 . 11 1 1 A 18 18 ASP CA C 18 57.400 57.284 0.116 1
1 233 . 11 1 1 A 18 18 ASP CB C 18 39.900 40.536 -0.636 1
1 234 . 11 1 1 A 18 18 ASP N N 18 121.000 119.627 1.373 1
1 235 . 11 1 1 A 19 19 LEU H H 19 8.260 7.961 0.299 1
1 236 . 11 1 1 A 19 19 LEU HA H 19 4.010 3.959 0.051 1
1 246 . 11 1 1 A 19 19 LEU C C 19 178.200 178.894 -0.694 1
1 247 . 11 1 1 A 19 19 LEU CA C 19 58.100 57.900 0.200 1
1 248 . 11 1 1 A 19 19 LEU CB C 19 42.400 42.015 0.385 1
1 252 . 11 1 1 A 19 19 LEU N N 19 120.800 121.050 -0.250 1
1 253 . 11 1 1 A 20 20 LEU H H 20 8.160 8.337 -0.177 1
1 254 . 11 1 1 A 20 20 LEU HA H 20 3.940 3.977 -0.037 1
1 264 . 11 1 1 A 20 20 LEU C C 20 180.100 179.154 0.946 1
1 265 . 11 1 1 A 20 20 LEU CA C 20 57.900 58.020 -0.120 1
1 266 . 11 1 1 A 20 20 LEU CB C 20 40.800 40.584 0.216 1
1 270 . 11 1 1 A 20 20 LEU N N 20 117.300 117.351 -0.051 1
1 271 . 11 1 1 A 21 21 ASP H H 21 9.000 8.644 0.356 1
1 272 . 11 1 1 A 21 21 ASP HA H 21 4.420 4.263 0.157 1
1 275 . 11 1 1 A 21 21 ASP C C 21 179.000 178.603 0.397 1
1 276 . 11 1 1 A 21 21 ASP CA C 21 57.300 57.656 -0.356 1
1 277 . 11 1 1 A 21 21 ASP CB C 21 40.500 41.156 -0.656 1
1 278 . 11 1 1 A 21 21 ASP N N 21 120.000 120.347 -0.347 1
1 279 . 11 1 1 A 22 22 VAL H H 22 7.370 7.897 -0.527 1
1 280 . 11 1 1 A 22 22 VAL HA H 22 3.600 3.572 0.028 1
1 288 . 11 1 1 A 22 22 VAL C C 22 177.700 178.291 -0.591 1
1 289 . 11 1 1 A 22 22 VAL CA C 22 66.300 66.909 -0.609 1
1 290 . 11 1 1 A 22 22 VAL CB C 22 32.000 31.283 0.717 1
1 293 . 11 1 1 A 22 22 VAL N N 22 119.800 119.328 0.472 1
1 294 . 11 1 1 A 23 23 LEU H H 23 6.880 7.835 -0.955 1
1 295 . 11 1 1 A 23 23 LEU HA H 23 3.880 3.899 -0.019 1
1 305 . 11 1 1 A 23 23 LEU C C 23 179.100 179.121 -0.021 1
1 306 . 11 1 1 A 23 23 LEU CA C 23 57.100 58.241 -1.141 1
1 307 . 11 1 1 A 23 23 LEU CB C 23 40.600 42.167 -1.567 1
1 311 . 11 1 1 A 23 23 LEU N N 23 116.500 119.749 -3.249 1
1 312 . 11 1 1 A 24 24 VAL H H 24 8.430 8.612 -0.182 1
1 313 . 11 1 1 A 24 24 VAL HA H 24 3.780 3.556 0.224 1
1 321 . 11 1 1 A 24 24 VAL C C 24 180.800 177.973 2.827 1
1 322 . 11 1 1 A 24 24 VAL CA C 24 65.900 66.922 -1.022 1
1 323 . 11 1 1 A 24 24 VAL CB C 24 32.200 31.419 0.781 1
1 326 . 11 1 1 A 24 24 VAL N N 24 120.300 118.462 1.838 1
1 327 . 11 1 1 A 25 25 LYS H H 25 8.380 8.358 0.022 1
1 328 . 11 1 1 A 25 25 LYS HA H 25 4.030 3.990 0.040 1
1 337 . 11 1 1 A 25 25 LYS C C 25 178.500 178.784 -0.284 1
1 338 . 11 1 1 A 25 25 LYS CA C 25 59.400 59.424 -0.024 1
1 339 . 11 1 1 A 25 25 LYS CB C 25 32.300 32.438 -0.138 1
1 343 . 11 1 1 A 25 25 LYS N N 25 121.900 119.718 2.182 1
1 344 . 11 1 1 A 26 26 GLU H H 26 7.360 7.831 -0.471 1
1 345 . 11 1 1 A 26 26 GLU HA H 26 4.330 4.369 -0.039 1
1 350 . 11 1 1 A 26 26 GLU C C 26 175.000 175.780 -0.780 1
1 351 . 11 1 1 A 26 26 GLU CA C 26 56.000 56.598 -0.598 1
1 352 . 11 1 1 A 26 26 GLU CB C 26 29.800 29.822 -0.022 1
1 354 . 11 1 1 A 26 26 GLU N N 26 115.000 116.042 -1.042 1
1 355 . 11 1 1 A 27 27 GLU H H 27 7.980 7.930 0.050 1
1 356 . 11 1 1 A 27 27 GLU HA H 27 3.950 3.841 0.109 1
1 361 . 11 1 1 A 27 27 GLU C C 27 175.900 175.202 0.698 1
1 362 . 11 1 1 A 27 27 GLU CA C 27 56.900 57.549 -0.649 1
1 363 . 11 1 1 A 27 27 GLU CB C 27 27.100 27.274 -0.174 1
1 365 . 11 1 1 A 27 27 GLU N N 27 116.300 116.716 -0.416 1
1 366 . 11 1 1 A 28 28 VAL H H 28 7.370 7.434 -0.064 1
1 367 . 11 1 1 A 28 28 VAL HA H 28 4.200 4.171 0.029 1
1 375 . 11 1 1 A 28 28 VAL C C 28 176.700 175.898 0.802 1
1 376 . 11 1 1 A 28 28 VAL CA C 28 61.600 61.912 -0.312 1
1 377 . 11 1 1 A 28 28 VAL CB C 28 32.600 32.687 -0.087 1
1 380 . 11 1 1 A 28 28 VAL N N 28 112.200 115.820 -3.620 1
1 381 . 11 1 1 A 29 29 THR H H 29 7.400 8.731 -1.331 1
1 382 . 11 1 1 A 29 29 THR HA H 29 4.640 4.848 -0.208 1
1 387 . 11 1 1 A 29 29 THR CA C 29 59.900 60.266 -0.366 1
1 388 . 11 1 1 A 29 29 THR CB C 29 67.900 68.895 -0.995 1
1 390 . 11 1 1 A 29 29 THR N N 29 113.900 114.762 -0.862 1
1 391 . 11 1 1 A 30 30 PRO HA H 30 4.130 4.170 -0.040 1
1 398 . 11 1 1 A 30 30 PRO C C 30 177.600 177.535 0.065 1
1 399 . 11 1 1 A 30 30 PRO CA C 30 66.300 65.764 0.536 1
1 400 . 11 1 1 A 30 30 PRO CB C 30 31.500 31.602 -0.102 1
1 403 . 11 1 1 A 31 31 ASP H H 31 8.390 8.287 0.103 1
1 404 . 11 1 1 A 31 31 ASP HA H 31 4.240 4.413 -0.173 1
1 407 . 11 1 1 A 31 31 ASP C C 31 178.900 178.519 0.381 1
1 408 . 11 1 1 A 31 31 ASP CA C 31 57.000 57.026 -0.026 1
1 409 . 11 1 1 A 31 31 ASP CB C 31 40.000 41.570 -1.570 1
1 410 . 11 1 1 A 31 31 ASP N N 31 113.200 117.821 -4.621 1
1 411 . 11 1 1 A 32 32 LEU H H 32 7.460 8.000 -0.540 1
1 412 . 11 1 1 A 32 32 LEU HA H 32 4.190 4.080 0.110 1
1 422 . 11 1 1 A 32 32 LEU C C 32 178.900 178.336 0.564 1
1 423 . 11 1 1 A 32 32 LEU CA C 32 57.000 57.812 -0.812 1
1 424 . 11 1 1 A 32 32 LEU CB C 32 41.300 41.428 -0.128 1
1 428 . 11 1 1 A 32 32 LEU N N 32 123.000 120.460 2.540 1
1 429 . 11 1 1 A 33 33 ALA H H 33 8.930 8.453 0.477 1
1 430 . 11 1 1 A 33 33 ALA HA H 33 3.730 4.090 -0.360 1
1 434 . 11 1 1 A 33 33 ALA C C 33 179.800 180.456 -0.656 1
1 435 . 11 1 1 A 33 33 ALA CA C 33 55.900 55.208 0.692 1
1 436 . 11 1 1 A 33 33 ALA CB C 33 19.100 18.044 1.056 1
1 437 . 11 1 1 A 33 33 ALA N N 33 122.700 120.672 2.028 1
1 438 . 11 1 1 A 34 34 LEU H H 34 8.420 8.113 0.307 1
1 439 . 11 1 1 A 34 34 LEU HA H 34 4.010 3.948 0.062 1
1 449 . 11 1 1 A 34 34 LEU C C 34 179.700 178.899 0.801 1
1 450 . 11 1 1 A 34 34 LEU CA C 34 58.200 57.878 0.322 1
1 451 . 11 1 1 A 34 34 LEU CB C 34 41.200 41.323 -0.123 1
1 455 . 11 1 1 A 34 34 LEU N N 34 115.800 118.602 -2.802 1
1 456 . 11 1 1 A 35 35 MET H H 35 7.730 8.186 -0.456 1
1 457 . 11 1 1 A 35 35 MET HA H 35 4.240 4.233 0.007 1
1 465 . 11 1 1 A 35 35 MET C C 35 179.500 178.307 1.193 1
1 466 . 11 1 1 A 35 35 MET CA C 35 59.300 58.498 0.802 1
1 467 . 11 1 1 A 35 35 MET CB C 35 32.900 32.486 0.414 1
1 470 . 11 1 1 A 35 35 MET N N 35 121.400 118.316 3.084 1
1 471 . 11 1 1 A 36 36 CYS H H 36 8.420 8.034 0.386 1
1 472 . 11 1 1 A 36 36 CYS HA H 36 3.950 4.321 -0.371 1
1 475 . 11 1 1 A 36 36 CYS C C 36 177.000 177.107 -0.107 1
1 476 . 11 1 1 A 36 36 CYS CA C 36 64.200 63.676 0.524 1
1 477 . 11 1 1 A 36 36 CYS CB C 36 27.200 28.046 -0.846 1
1 478 . 11 1 1 A 36 36 CYS N N 36 118.600 117.574 1.026 1
1 479 . 11 1 1 A 37 37 LEU H H 37 9.020 8.734 0.286 1
1 480 . 11 1 1 A 37 37 LEU HA H 37 3.940 4.001 -0.061 1
1 490 . 11 1 1 A 37 37 LEU C C 37 179.100 179.304 -0.204 1
1 491 . 11 1 1 A 37 37 LEU CA C 37 58.300 58.470 -0.170 1
1 492 . 11 1 1 A 37 37 LEU CB C 37 42.200 42.073 0.127 1
1 496 . 11 1 1 A 37 37 LEU N N 37 119.600 121.018 -1.418 1
1 497 . 11 1 1 A 38 38 GLY H H 38 8.940 8.412 0.528 1
1 498 . 11 1 1 A 38 38 GLY HA2 H 38 3.610 3.779 -0.169 1
1 499 . 11 1 1 A 38 38 GLY HA3 H 38 3.970 3.794 0.176 1
1 500 . 11 1 1 A 38 38 GLY C C 38 179.800 175.952 3.848 1
1 501 . 11 1 1 A 38 38 GLY CA C 38 47.900 47.104 0.796 1
1 502 . 11 1 1 A 38 38 GLY N N 38 106.600 104.998 1.602 1
1 503 . 11 1 1 A 39 39 ASN H H 39 7.790 8.337 -0.547 1
1 504 . 11 1 1 A 39 39 ASN HA H 39 4.440 4.481 -0.041 1
1 509 . 11 1 1 A 39 39 ASN C C 39 178.000 177.468 0.532 1
1 510 . 11 1 1 A 39 39 ASN CA C 39 56.300 56.398 -0.098 1
1 511 . 11 1 1 A 39 39 ASN CB C 39 39.500 38.969 0.531 1
1 513 . 11 1 1 A 39 39 ASN N N 39 120.900 119.847 1.053 1
1 515 . 11 1 1 A 40 40 ALA H H 40 8.260 7.814 0.446 1
1 516 . 11 1 1 A 40 40 ALA HA H 40 3.970 4.070 -0.100 1
1 520 . 11 1 1 A 40 40 ALA C C 40 178.200 179.792 -1.592 1
1 521 . 11 1 1 A 40 40 ALA CA C 40 55.900 55.218 0.682 1
1 522 . 11 1 1 A 40 40 ALA CB C 40 17.200 18.200 -1.000 1
1 523 . 11 1 1 A 40 40 ALA N N 40 123.900 121.811 2.089 1
1 524 . 11 1 1 A 41 41 VAL H H 41 8.410 8.320 0.090 1
1 525 . 11 1 1 A 41 41 VAL HA H 41 3.180 3.385 -0.205 1
1 533 . 11 1 1 A 41 41 VAL C C 41 177.800 178.564 -0.764 1
1 534 . 11 1 1 A 41 41 VAL CA C 41 67.000 67.453 -0.453 1
1 535 . 11 1 1 A 41 41 VAL CB C 41 30.900 31.669 -0.769 1
1 538 . 11 1 1 A 41 41 VAL N N 41 116.900 118.316 -1.416 1
1 539 . 11 1 1 A 42 42 THR H H 42 8.210 8.078 0.132 1
1 540 . 11 1 1 A 42 42 THR HA H 42 3.430 3.809 -0.379 1
1 545 . 11 1 1 A 42 42 THR C C 42 175.900 176.006 -0.106 1
1 546 . 11 1 1 A 42 42 THR CA C 42 67.500 66.630 0.870 1
1 547 . 11 1 1 A 42 42 THR CB C 42 68.000 68.358 -0.358 1
1 549 . 11 1 1 A 42 42 THR N N 42 114.800 115.778 -0.978 1
1 550 . 11 1 1 A 43 43 ASN H H 43 7.600 8.079 -0.479 1
1 551 . 11 1 1 A 43 43 ASN HA H 43 4.170 4.454 -0.284 1
1 556 . 11 1 1 A 43 43 ASN C C 43 177.300 177.041 0.259 1
1 557 . 11 1 1 A 43 43 ASN CA C 43 57.000 55.810 1.190 1
1 558 . 11 1 1 A 43 43 ASN CB C 43 39.400 38.550 0.850 1
1 560 . 11 1 1 A 43 43 ASN N N 43 120.300 119.040 1.260 1
1 562 . 11 1 1 A 44 44 ILE H H 44 7.630 7.407 0.223 1
1 563 . 11 1 1 A 44 44 ILE HA H 44 3.770 3.862 -0.092 1
1 573 . 11 1 1 A 44 44 ILE C C 44 179.200 178.405 0.795 1
1 574 . 11 1 1 A 44 44 ILE CA C 44 62.100 63.885 -1.785 1
1 575 . 11 1 1 A 44 44 ILE CB C 44 35.700 38.181 -2.481 1
1 579 . 11 1 1 A 44 44 ILE N N 44 119.700 117.082 2.618 1
1 580 . 11 1 1 A 45 45 ILE H H 45 8.460 8.277 0.183 1
1 581 . 11 1 1 A 45 45 ILE HA H 45 3.550 3.761 -0.211 1
1 591 . 11 1 1 A 45 45 ILE C C 45 177.100 178.772 -1.672 1
1 592 . 11 1 1 A 45 45 ILE CA C 45 65.100 64.936 0.164 1
1 593 . 11 1 1 A 45 45 ILE CB C 45 36.600 36.929 -0.329 1
1 597 . 11 1 1 A 45 45 ILE N N 45 120.300 120.238 0.062 1
1 598 . 11 1 1 A 46 46 ALA H H 46 7.750 7.507 0.243 1
1 599 . 11 1 1 A 46 46 ALA HA H 46 3.950 4.053 -0.103 1
1 603 . 11 1 1 A 46 46 ALA C C 46 178.000 178.346 -0.346 1
1 604 . 11 1 1 A 46 46 ALA CA C 46 54.000 54.557 -0.557 1
1 605 . 11 1 1 A 46 46 ALA CB C 46 17.900 18.089 -0.189 1
1 606 . 11 1 1 A 46 46 ALA N N 46 120.000 123.414 -3.414 1
1 607 . 11 1 1 A 47 47 GLN H H 47 7.610 7.775 -0.165 1
1 608 . 11 1 1 A 47 47 GLN HA H 47 4.190 4.389 -0.199 1
1 615 . 11 1 1 A 47 47 GLN C C 47 177.100 175.943 1.157 1
1 616 . 11 1 1 A 47 47 GLN CA C 47 56.000 56.031 -0.031 1
1 617 . 11 1 1 A 47 47 GLN CB C 47 29.000 29.582 -0.582 1
1 620 . 11 1 1 A 47 47 GLN N N 47 114.000 114.664 -0.664 1
1 622 . 11 1 1 A 48 48 VAL H H 48 7.740 7.372 0.368 1
1 623 . 11 1 1 A 48 48 VAL HA H 48 4.390 4.145 0.245 1
1 631 . 11 1 1 A 48 48 VAL CA C 48 59.900 60.704 -0.804 1
1 632 . 11 1 1 A 48 48 VAL CB C 48 31.900 32.266 -0.366 1
1 635 . 11 1 1 A 48 48 VAL N N 48 122.400 122.362 0.038 1
1 636 . 11 1 1 A 49 49 PRO HA H 49 4.340 4.518 -0.178 1
1 643 . 11 1 1 A 49 49 PRO C C 49 177.700 177.935 -0.235 1
1 644 . 11 1 1 A 49 49 PRO CA C 49 63.700 62.980 0.720 1
1 645 . 11 1 1 A 49 49 PRO CB C 49 32.300 32.413 -0.113 1
1 648 . 11 1 1 A 50 50 GLU H H 50 8.960 8.652 0.308 1
1 649 . 11 1 1 A 50 50 GLU HA H 50 3.580 3.945 -0.365 1
1 654 . 11 1 1 A 50 50 GLU C C 50 178.300 178.815 -0.515 1
1 655 . 11 1 1 A 50 50 GLU CA C 50 60.800 59.942 0.858 1
1 656 . 11 1 1 A 50 50 GLU CB C 50 29.900 29.402 0.498 1
1 658 . 11 1 1 A 50 50 GLU N N 50 124.400 123.331 1.069 1
1 659 . 11 1 1 A 51 51 SER H H 51 8.640 8.194 0.446 1
1 660 . 11 1 1 A 51 51 SER HA H 51 4.240 4.209 0.031 1
1 663 . 11 1 1 A 51 51 SER C C 51 175.200 175.180 0.020 1
1 664 . 11 1 1 A 51 51 SER CA C 51 60.600 61.808 -1.208 1
1 665 . 11 1 1 A 51 51 SER CB C 51 62.600 62.865 -0.265 1
1 666 . 11 1 1 A 51 51 SER N N 51 112.000 117.080 -5.080 1
1 667 . 11 1 1 A 52 52 LYS H H 52 7.950 8.070 -0.120 1
1 668 . 11 1 1 A 52 52 LYS HA H 52 4.650 4.560 0.090 1
1 677 . 11 1 1 A 52 52 LYS C C 52 176.700 177.989 -1.289 1
1 678 . 11 1 1 A 52 52 LYS CA C 52 55.500 55.889 -0.389 1
1 679 . 11 1 1 A 52 52 LYS CB C 52 34.000 33.224 0.776 1
1 683 . 11 1 1 A 52 52 LYS N N 52 119.600 117.497 2.103 1
1 684 . 11 1 1 A 53 53 ARG H H 53 7.290 7.733 -0.443 1
1 685 . 11 1 1 A 53 53 ARG HA H 53 3.530 4.021 -0.491 1
1 695 . 11 1 1 A 53 53 ARG C C 53 177.300 178.937 -1.637 1
1 696 . 11 1 1 A 53 53 ARG CA C 53 61.700 58.925 2.775 1
1 697 . 11 1 1 A 53 53 ARG CB C 53 30.800 29.919 0.881 1
1 700 . 11 1 1 A 53 53 ARG N N 53 119.000 120.969 -1.969 1
1 702 . 11 1 1 A 54 54 VAL H H 54 8.440 7.979 0.461 1
1 703 . 11 1 1 A 54 54 VAL HA H 54 3.460 3.678 -0.218 1
1 711 . 11 1 1 A 54 54 VAL C C 54 177.400 177.856 -0.456 1
1 712 . 11 1 1 A 54 54 VAL CA C 54 67.200 66.285 0.915 1
1 713 . 11 1 1 A 54 54 VAL CB C 54 31.000 31.342 -0.342 1
1 716 . 11 1 1 A 54 54 VAL N N 54 118.400 119.231 -0.831 1
1 717 . 11 1 1 A 55 55 ALA H H 55 8.120 7.992 0.128 1
1 718 . 11 1 1 A 55 55 ALA HA H 55 4.180 4.105 0.075 1
1 722 . 11 1 1 A 55 55 ALA C C 55 180.700 179.428 1.272 1
1 723 . 11 1 1 A 55 55 ALA CA C 55 55.000 55.273 -0.273 1
1 724 . 11 1 1 A 55 55 ALA CB C 55 17.900 18.251 -0.351 1
1 725 . 11 1 1 A 55 55 ALA N N 55 122.300 122.329 -0.029 1
1 726 . 11 1 1 A 56 56 VAL H H 56 8.040 8.576 -0.536 1
1 727 . 11 1 1 A 56 56 VAL HA H 56 3.780 3.807 -0.027 1
1 735 . 11 1 1 A 56 56 VAL C C 56 179.400 178.089 1.311 1
1 736 . 11 1 1 A 56 56 VAL CA C 56 66.700 65.415 1.285 1
1 737 . 11 1 1 A 56 56 VAL CB C 56 31.400 31.580 -0.180 1
1 740 . 11 1 1 A 56 56 VAL N N 56 117.900 116.890 1.010 1
1 741 . 11 1 1 A 57 57 VAL H H 57 8.510 7.551 0.959 1
1 742 . 11 1 1 A 57 57 VAL HA H 57 3.760 3.831 -0.071 1
1 750 . 11 1 1 A 57 57 VAL C C 57 177.900 177.292 0.608 1
1 751 . 11 1 1 A 57 57 VAL CA C 57 66.700 65.285 1.415 1
1 752 . 11 1 1 A 57 57 VAL CB C 57 31.400 31.445 -0.045 1
1 755 . 11 1 1 A 57 57 VAL N N 57 121.600 122.742 -1.142 1
1 756 . 11 1 1 A 58 58 ASP H H 58 8.800 7.886 0.914 1
1 757 . 11 1 1 A 58 58 ASP HA H 58 4.420 4.540 -0.120 1
1 760 . 11 1 1 A 58 58 ASP C C 58 178.500 178.883 -0.383 1
1 761 . 11 1 1 A 58 58 ASP CA C 58 57.800 56.882 0.918 1
1 762 . 11 1 1 A 58 58 ASP CB C 58 40.000 40.717 -0.717 1
1 763 . 11 1 1 A 58 58 ASP N N 58 124.800 122.166 2.634 1
1 764 . 11 1 1 A 59 59 ASN H H 59 8.500 8.529 -0.029 1
1 765 . 11 1 1 A 59 59 ASN HA H 59 4.460 4.473 -0.013 1
1 770 . 11 1 1 A 59 59 ASN C C 59 177.700 177.879 -0.179 1
1 771 . 11 1 1 A 59 59 ASN CA C 59 56.500 56.399 0.101 1
1 772 . 11 1 1 A 59 59 ASN CB C 59 38.300 38.153 0.147 1
1 774 . 11 1 1 A 59 59 ASN N N 59 118.800 117.945 0.855 1
1 776 . 11 1 1 A 60 60 PHE H H 60 8.540 8.467 0.073 1
1 777 . 11 1 1 A 60 60 PHE HA H 60 4.210 4.161 0.049 1
1 785 . 11 1 1 A 60 60 PHE C C 60 177.700 177.253 0.447 1
1 786 . 11 1 1 A 60 60 PHE CA C 60 61.600 61.539 0.061 1
1 787 . 11 1 1 A 60 60 PHE CB C 60 39.800 39.278 0.522 1
1 793 . 11 1 1 A 60 60 PHE N N 60 121.800 122.331 -0.531 1
1 794 . 11 1 1 A 61 61 THR H H 61 8.820 8.441 0.379 1
1 795 . 11 1 1 A 61 61 THR HA H 61 3.820 3.981 -0.161 1
1 801 . 11 1 1 A 61 61 THR C C 61 176.700 176.567 0.133 1
1 802 . 11 1 1 A 61 61 THR CA C 61 66.200 66.272 -0.072 1
1 803 . 11 1 1 A 61 61 THR CB C 61 68.400 68.622 -0.222 1
1 805 . 11 1 1 A 61 61 THR N N 61 112.200 111.168 1.032 1
1 806 . 11 1 1 A 62 62 LYS H H 62 8.190 8.066 0.124 1
1 807 . 11 1 1 A 62 62 LYS HA H 62 4.010 3.993 0.017 1
1 816 . 11 1 1 A 62 62 LYS C C 62 179.100 178.638 0.462 1
1 817 . 11 1 1 A 62 62 LYS CA C 62 60.100 59.364 0.736 1
1 818 . 11 1 1 A 62 62 LYS CB C 62 32.500 32.359 0.141 1
1 822 . 11 1 1 A 62 62 LYS N N 62 124.000 122.056 1.944 1
1 823 . 11 1 1 A 63 63 ALA H H 63 7.800 8.066 -0.266 1
1 824 . 11 1 1 A 63 63 ALA HA H 63 4.070 4.048 0.022 1
1 828 . 11 1 1 A 63 63 ALA C C 63 180.400 180.384 0.016 1
1 829 . 11 1 1 A 63 63 ALA CA C 63 54.700 54.973 -0.273 1
1 830 . 11 1 1 A 63 63 ALA CB C 63 17.800 18.267 -0.467 1
1 831 . 11 1 1 A 63 63 ALA N N 63 121.500 120.662 0.838 1
1 832 . 11 1 1 A 64 64 LEU H H 64 7.850 8.135 -0.285 1
1 833 . 11 1 1 A 64 64 LEU HA H 64 3.900 3.923 -0.023 1
1 843 . 11 1 1 A 64 64 LEU C C 64 178.600 178.762 -0.162 1
1 844 . 11 1 1 A 64 64 LEU CA C 64 57.300 57.742 -0.442 1
1 845 . 11 1 1 A 64 64 LEU CB C 64 41.900 41.636 0.264 1
1 849 . 11 1 1 A 64 64 LEU N N 64 120.100 120.533 -0.433 1
1 850 . 11 1 1 A 65 65 LYS H H 65 7.970 7.969 0.001 1
1 851 . 11 1 1 A 65 65 LYS HA H 65 3.730 3.778 -0.048 1
1 860 . 11 1 1 A 65 65 LYS C C 65 178.300 179.602 -1.302 1
1 861 . 11 1 1 A 65 65 LYS CA C 65 60.400 60.389 0.011 1
1 862 . 11 1 1 A 65 65 LYS CB C 65 31.900 32.123 -0.223 1
1 866 . 11 1 1 A 65 65 LYS N N 65 118.100 118.845 -0.745 1
1 867 . 11 1 1 A 66 66 GLN H H 66 7.820 7.719 0.101 1
1 868 . 11 1 1 A 66 66 GLN HA H 66 3.950 4.134 -0.184 1
1 875 . 11 1 1 A 66 66 GLN C C 66 178.000 177.293 0.707 1
1 876 . 11 1 1 A 66 66 GLN CA C 66 58.700 58.299 0.401 1
1 877 . 11 1 1 A 66 66 GLN CB C 66 28.200 28.104 0.096 1
1 880 . 11 1 1 A 66 66 GLN N N 66 116.800 117.857 -1.057 1
1 882 . 11 1 1 A 67 67 SER H H 67 8.060 7.896 0.164 1
1 883 . 11 1 1 A 67 67 SER HA H 67 4.150 4.358 -0.208 1
1 886 . 11 1 1 A 67 67 SER C C 67 176.900 175.787 1.113 1
1 887 . 11 1 1 A 67 67 SER CA C 67 61.500 60.817 0.683 1
1 888 . 11 1 1 A 67 67 SER CB C 67 63.000 63.381 -0.381 1
1 889 . 11 1 1 A 67 67 SER N N 67 114.200 117.855 -3.655 1
1 890 . 11 1 1 A 68 68 VAL H H 68 7.860 7.473 0.387 1
1 891 . 11 1 1 A 68 68 VAL HA H 68 3.850 3.808 0.042 1
1 899 . 11 1 1 A 68 68 VAL C C 68 177.600 177.797 -0.197 1
1 900 . 11 1 1 A 68 68 VAL CA C 68 64.900 65.930 -1.030 1
1 901 . 11 1 1 A 68 68 VAL CB C 68 32.000 31.843 0.157 1
1 904 . 11 1 1 A 68 68 VAL N N 68 119.300 121.224 -1.924 1
1 905 . 11 1 1 A 69 69 LEU H H 69 7.880 8.136 -0.256 1
1 906 . 11 1 1 A 69 69 LEU HA H 69 4.150 4.016 0.134 1
1 916 . 11 1 1 A 69 69 LEU C C 69 178.400 177.643 0.757 1
1 917 . 11 1 1 A 69 69 LEU CA C 69 56.500 58.584 -2.084 1
1 918 . 11 1 1 A 69 69 LEU CB C 69 41.800 42.143 -0.343 1
1 922 . 11 1 1 A 69 69 LEU N N 69 119.800 120.456 -0.656 1
1 923 . 11 1 1 A 70 70 GLU H H 70 7.820 7.987 -0.167 1
1 924 . 11 1 1 A 70 70 GLU HA H 70 4.130 4.612 -0.482 1
1 929 . 11 1 1 A 70 70 GLU C C 70 176.700 176.354 0.346 1
1 930 . 11 1 1 A 70 70 GLU CA C 70 56.900 55.289 1.611 1
1 931 . 11 1 1 A 70 70 GLU CB C 70 29.800 27.535 2.265 1
1 933 . 11 1 1 A 70 70 GLU N N 70 118.000 118.485 -0.485 1
1 934 . 11 1 1 A 71 71 HIS H H 71 7.950 8.257 -0.307 1
1 935 . 11 1 1 A 71 71 HIS HA H 71 4.460 4.586 -0.126 1
1 938 . 11 1 1 A 71 71 HIS C C 71 174.700 174.098 0.602 1
1 939 . 11 1 1 A 71 71 HIS CA C 71 56.300 59.023 -2.723 1
1 940 . 11 1 1 A 71 71 HIS CB C 71 28.800 30.941 -2.141 1
1 941 . 11 1 1 A 71 71 HIS N N 71 117.800 120.346 -2.546 1
1 942 . 11 1 1 A 72 72 HIS H H 72 8.260 7.717 0.543 1
1 943 . 11 1 1 A 72 72 HIS HA H 72 4.590 4.617 -0.027 1
1 946 . 11 1 1 A 72 72 HIS C C 72 174.500 173.554 0.946 1
1 947 . 11 1 1 A 72 72 HIS CA C 72 55.700 55.052 0.648 1
1 948 . 11 1 1 A 72 72 HIS CB C 72 29.600 31.816 -2.216 1
1 949 . 11 1 1 A 72 72 HIS N N 72 119.100 113.533 5.567 1
1 950 . 11 1 1 A 73 73 HIS H H 73 8.420 8.729 -0.309 1
1 951 . 11 1 1 A 73 73 HIS HA H 73 4.580 4.241 0.339 1
1 954 . 11 1 1 A 73 73 HIS C C 73 174.400 174.370 0.030 1
1 955 . 11 1 1 A 73 73 HIS CA C 73 55.500 56.265 -0.765 1
1 956 . 11 1 1 A 73 73 HIS CB C 73 29.600 28.145 1.455 1
1 957 . 11 1 1 A 73 73 HIS N N 73 119.700 115.988 3.712 1
1 958 . 11 1 1 A 74 74 HIS H H 74 8.470 8.456 0.014 1
1 959 . 11 1 1 A 74 74 HIS HA H 74 4.570 4.689 -0.119 1
1 962 . 11 1 1 A 74 74 HIS C C 74 173.600 175.297 -1.697 1
1 963 . 11 1 1 A 74 74 HIS CA C 74 55.600 55.936 -0.336 1
1 964 . 11 1 1 A 74 74 HIS CB C 74 29.500 29.748 -0.248 1
1 965 . 11 1 1 A 74 74 HIS N N 74 120.500 122.749 -2.249 1
1 966 . 11 1 1 A 75 75 HIS H H 75 8.290 9.034 -0.744 1
1 967 . 11 1 1 A 75 75 HIS HA H 75 4.400 4.264 0.136 1
1 970 . 11 1 1 A 75 75 HIS CA C 75 57.100 57.929 -0.829 1
1 971 . 11 1 1 A 75 75 HIS CB C 75 29.700 30.409 -0.709 1
1 1 . 12 1 1 A 2 2 PRO HA H 2 4.400 4.465 -0.065 1
1 8 . 12 1 1 A 2 2 PRO C C 2 172.300 176.523 -4.223 1
1 9 . 12 1 1 A 2 2 PRO CA C 2 62.200 62.261 -0.061 1
1 10 . 12 1 1 A 2 2 PRO CB C 2 32.600 33.188 -0.588 1
1 13 . 12 1 1 A 3 3 ILE H H 3 8.630 8.271 0.359 1
1 14 . 12 1 1 A 3 3 ILE HA H 3 4.190 4.062 0.128 1
1 24 . 12 1 1 A 3 3 ILE C C 3 176.100 174.846 1.254 1
1 25 . 12 1 1 A 3 3 ILE CA C 3 61.500 62.616 -1.116 1
1 26 . 12 1 1 A 3 3 ILE CB C 3 38.600 38.127 0.473 1
1 30 . 12 1 1 A 3 3 ILE N N 3 120.700 121.506 -0.806 1
1 31 . 12 1 1 A 4 4 VAL H H 4 8.380 8.464 -0.084 1
1 32 . 12 1 1 A 4 4 VAL HA H 4 4.140 4.558 -0.418 1
1 40 . 12 1 1 A 4 4 VAL C C 4 175.800 176.690 -0.890 1
1 41 . 12 1 1 A 4 4 VAL CA C 4 62.100 60.303 1.797 1
1 42 . 12 1 1 A 4 4 VAL CB C 4 32.800 33.706 -0.906 1
1 45 . 12 1 1 A 4 4 VAL N N 4 125.500 130.471 -4.971 1
1 46 . 12 1 1 A 5 5 SER H H 5 8.450 8.469 -0.019 1
1 47 . 12 1 1 A 5 5 SER HA H 5 4.420 4.619 -0.199 1
1 50 . 12 1 1 A 5 5 SER C C 5 174.300 174.599 -0.299 1
1 51 . 12 1 1 A 5 5 SER CA C 5 57.900 58.007 -0.107 1
1 52 . 12 1 1 A 5 5 SER CB C 5 64.000 63.501 0.499 1
1 53 . 12 1 1 A 5 5 SER N N 5 120.500 122.455 -1.955 1
1 54 . 12 1 1 A 6 6 LYS H H 6 8.330 7.926 0.404 1
1 55 . 12 1 1 A 6 6 LYS HA H 6 4.150 3.818 0.332 1
1 64 . 12 1 1 A 6 6 LYS C C 6 176.000 175.599 0.401 1
1 65 . 12 1 1 A 6 6 LYS CA C 6 56.800 57.567 -0.767 1
1 66 . 12 1 1 A 6 6 LYS CB C 6 33.000 30.146 2.854 1
1 70 . 12 1 1 A 6 6 LYS N N 6 123.400 115.932 7.468 1
1 71 . 12 1 1 A 7 7 TYR H H 7 8.150 8.101 0.049 1
1 72 . 12 1 1 A 7 7 TYR HA H 7 4.640 4.533 0.107 1
1 79 . 12 1 1 A 7 7 TYR C C 7 175.400 174.789 0.611 1
1 80 . 12 1 1 A 7 7 TYR CA C 7 56.700 58.977 -2.277 1
1 81 . 12 1 1 A 7 7 TYR CB C 7 39.300 37.314 1.986 1
1 86 . 12 1 1 A 7 7 TYR N N 7 120.000 111.842 8.158 1
1 87 . 12 1 1 A 8 8 SER H H 8 8.360 8.863 -0.503 1
1 88 . 12 1 1 A 8 8 SER HA H 8 4.400 4.467 -0.067 1
1 91 . 12 1 1 A 8 8 SER C C 8 174.700 175.160 -0.460 1
1 92 . 12 1 1 A 8 8 SER CA C 8 57.600 59.235 -1.635 1
1 93 . 12 1 1 A 8 8 SER CB C 8 64.000 63.187 0.813 1
1 94 . 12 1 1 A 8 8 SER N N 8 118.100 120.469 -2.369 1
1 95 . 12 1 1 A 9 9 ASN H H 9 8.900 8.974 -0.074 1
1 96 . 12 1 1 A 9 9 ASN HA H 9 4.400 4.334 0.066 1
1 101 . 12 1 1 A 9 9 ASN C C 9 176.800 177.248 -0.448 1
1 102 . 12 1 1 A 9 9 ASN CA C 9 55.900 57.116 -1.216 1
1 103 . 12 1 1 A 9 9 ASN CB C 9 38.300 38.966 -0.666 1
1 105 . 12 1 1 A 9 9 ASN N N 9 122.300 126.390 -4.090 1
1 107 . 12 1 1 A 10 10 GLU H H 10 8.740 8.423 0.317 1
1 108 . 12 1 1 A 10 10 GLU HA H 10 4.000 4.006 -0.006 1
1 113 . 12 1 1 A 10 10 GLU C C 10 178.500 178.858 -0.358 1
1 114 . 12 1 1 A 10 10 GLU CA C 10 59.900 59.615 0.285 1
1 115 . 12 1 1 A 10 10 GLU CB C 10 29.000 29.295 -0.295 1
1 117 . 12 1 1 A 10 10 GLU N N 10 119.000 118.795 0.205 1
1 118 . 12 1 1 A 11 11 ARG H H 11 7.750 7.817 -0.067 1
1 119 . 12 1 1 A 11 11 ARG HA H 11 4.070 4.158 -0.088 1
1 127 . 12 1 1 A 11 11 ARG C C 11 178.000 178.839 -0.839 1
1 128 . 12 1 1 A 11 11 ARG CA C 11 58.800 58.765 0.035 1
1 129 . 12 1 1 A 11 11 ARG CB C 11 30.100 29.965 0.135 1
1 132 . 12 1 1 A 11 11 ARG N N 11 121.500 120.443 1.057 1
1 134 . 12 1 1 A 12 12 VAL H H 12 7.830 8.517 -0.687 1
1 135 . 12 1 1 A 12 12 VAL HA H 12 3.420 3.571 -0.151 1
1 143 . 12 1 1 A 12 12 VAL C C 12 177.400 177.845 -0.445 1
1 144 . 12 1 1 A 12 12 VAL CA C 12 67.000 66.476 0.524 1
1 145 . 12 1 1 A 12 12 VAL CB C 12 32.100 31.416 0.684 1
1 148 . 12 1 1 A 12 12 VAL N N 12 118.800 119.507 -0.707 1
1 149 . 12 1 1 A 13 13 GLU H H 13 8.220 8.570 -0.350 1
1 150 . 12 1 1 A 13 13 GLU HA H 13 3.890 3.958 -0.068 1
1 155 . 12 1 1 A 13 13 GLU C C 13 178.900 178.873 0.027 1
1 156 . 12 1 1 A 13 13 GLU CA C 13 59.500 59.885 -0.385 1
1 157 . 12 1 1 A 13 13 GLU CB C 13 29.000 29.155 -0.155 1
1 159 . 12 1 1 A 13 13 GLU N N 13 116.800 120.261 -3.461 1
1 160 . 12 1 1 A 14 14 LYS H H 14 7.600 7.857 -0.257 1
1 161 . 12 1 1 A 14 14 LYS HA H 14 4.030 4.137 -0.107 1
1 170 . 12 1 1 A 14 14 LYS C C 14 177.700 178.803 -1.103 1
1 171 . 12 1 1 A 14 14 LYS CA C 14 59.100 59.151 -0.051 1
1 172 . 12 1 1 A 14 14 LYS CB C 14 32.100 32.242 -0.142 1
1 176 . 12 1 1 A 14 14 LYS N N 14 120.400 119.432 0.968 1
1 177 . 12 1 1 A 15 15 ILE H H 15 7.830 8.435 -0.605 1
1 178 . 12 1 1 A 15 15 ILE HA H 15 3.630 3.610 0.020 1
1 188 . 12 1 1 A 15 15 ILE C C 15 178.200 178.557 -0.357 1
1 189 . 12 1 1 A 15 15 ILE CA C 15 65.700 65.870 -0.170 1
1 190 . 12 1 1 A 15 15 ILE CB C 15 37.500 37.917 -0.417 1
1 194 . 12 1 1 A 15 15 ILE N N 15 119.700 118.907 0.793 1
1 195 . 12 1 1 A 16 16 ILE H H 16 8.080 8.376 -0.296 1
1 196 . 12 1 1 A 16 16 ILE HA H 16 3.360 3.548 -0.188 1
1 206 . 12 1 1 A 16 16 ILE C C 16 177.500 178.209 -0.709 1
1 207 . 12 1 1 A 16 16 ILE CA C 16 66.600 65.106 1.494 1
1 208 . 12 1 1 A 16 16 ILE CB C 16 38.300 37.512 0.788 1
1 212 . 12 1 1 A 16 16 ILE N N 16 117.900 121.283 -3.383 1
1 213 . 12 1 1 A 17 17 GLN H H 17 8.010 8.164 -0.154 1
1 214 . 12 1 1 A 17 17 GLN HA H 17 3.830 3.884 -0.054 1
1 221 . 12 1 1 A 17 17 GLN C C 17 178.000 177.888 0.112 1
1 222 . 12 1 1 A 17 17 GLN CA C 17 58.400 59.804 -1.404 1
1 223 . 12 1 1 A 17 17 GLN CB C 17 28.100 27.947 0.153 1
1 225 . 12 1 1 A 17 17 GLN N N 17 117.900 121.814 -3.914 1
1 227 . 12 1 1 A 18 18 ASP H H 18 8.710 8.603 0.107 1
1 228 . 12 1 1 A 18 18 ASP HA H 18 4.400 4.410 -0.010 1
1 231 . 12 1 1 A 18 18 ASP C C 18 179.800 178.893 0.907 1
1 232 . 12 1 1 A 18 18 ASP CA C 18 57.400 57.265 0.135 1
1 233 . 12 1 1 A 18 18 ASP CB C 18 39.900 40.899 -0.999 1
1 234 . 12 1 1 A 18 18 ASP N N 18 121.000 119.787 1.213 1
1 235 . 12 1 1 A 19 19 LEU H H 19 8.260 8.106 0.154 1
1 236 . 12 1 1 A 19 19 LEU HA H 19 4.010 4.043 -0.033 1
1 246 . 12 1 1 A 19 19 LEU C C 19 178.200 179.467 -1.267 1
1 247 . 12 1 1 A 19 19 LEU CA C 19 58.100 58.108 -0.008 1
1 248 . 12 1 1 A 19 19 LEU CB C 19 42.400 41.714 0.686 1
1 252 . 12 1 1 A 19 19 LEU N N 19 120.800 120.948 -0.148 1
1 253 . 12 1 1 A 20 20 LEU H H 20 8.160 8.248 -0.088 1
1 254 . 12 1 1 A 20 20 LEU HA H 20 3.940 3.933 0.007 1
1 264 . 12 1 1 A 20 20 LEU C C 20 180.100 179.094 1.006 1
1 265 . 12 1 1 A 20 20 LEU CA C 20 57.900 57.605 0.295 1
1 266 . 12 1 1 A 20 20 LEU CB C 20 40.800 41.220 -0.420 1
1 270 . 12 1 1 A 20 20 LEU N N 20 117.300 119.135 -1.835 1
1 271 . 12 1 1 A 21 21 ASP H H 21 9.000 8.445 0.555 1
1 272 . 12 1 1 A 21 21 ASP HA H 21 4.420 4.408 0.012 1
1 275 . 12 1 1 A 21 21 ASP C C 21 179.000 178.715 0.285 1
1 276 . 12 1 1 A 21 21 ASP CA C 21 57.300 57.524 -0.224 1
1 277 . 12 1 1 A 21 21 ASP CB C 21 40.500 40.805 -0.305 1
1 278 . 12 1 1 A 21 21 ASP N N 21 120.000 120.321 -0.321 1
1 279 . 12 1 1 A 22 22 VAL H H 22 7.370 7.838 -0.468 1
1 280 . 12 1 1 A 22 22 VAL HA H 22 3.600 3.567 0.033 1
1 288 . 12 1 1 A 22 22 VAL C C 22 177.700 178.226 -0.526 1
1 289 . 12 1 1 A 22 22 VAL CA C 22 66.300 66.708 -0.408 1
1 290 . 12 1 1 A 22 22 VAL CB C 22 32.000 31.354 0.646 1
1 293 . 12 1 1 A 22 22 VAL N N 22 119.800 119.928 -0.128 1
1 294 . 12 1 1 A 23 23 LEU H H 23 6.880 7.894 -1.014 1
1 295 . 12 1 1 A 23 23 LEU HA H 23 3.880 3.906 -0.026 1
1 305 . 12 1 1 A 23 23 LEU C C 23 179.100 179.142 -0.042 1
1 306 . 12 1 1 A 23 23 LEU CA C 23 57.100 58.230 -1.130 1
1 307 . 12 1 1 A 23 23 LEU CB C 23 40.600 41.990 -1.390 1
1 311 . 12 1 1 A 23 23 LEU N N 23 116.500 119.884 -3.384 1
1 312 . 12 1 1 A 24 24 VAL H H 24 8.430 8.330 0.100 1
1 313 . 12 1 1 A 24 24 VAL HA H 24 3.780 3.573 0.207 1
1 321 . 12 1 1 A 24 24 VAL C C 24 180.800 178.206 2.594 1
1 322 . 12 1 1 A 24 24 VAL CA C 24 65.900 66.858 -0.958 1
1 323 . 12 1 1 A 24 24 VAL CB C 24 32.200 31.409 0.791 1
1 326 . 12 1 1 A 24 24 VAL N N 24 120.300 118.660 1.640 1
1 327 . 12 1 1 A 25 25 LYS H H 25 8.380 8.513 -0.133 1
1 328 . 12 1 1 A 25 25 LYS HA H 25 4.030 3.951 0.079 1
1 337 . 12 1 1 A 25 25 LYS C C 25 178.500 177.868 0.632 1
1 338 . 12 1 1 A 25 25 LYS CA C 25 59.400 59.054 0.346 1
1 339 . 12 1 1 A 25 25 LYS CB C 25 32.300 32.207 0.093 1
1 343 . 12 1 1 A 25 25 LYS N N 25 121.900 120.083 1.817 1
1 344 . 12 1 1 A 26 26 GLU H H 26 7.360 7.745 -0.385 1
1 345 . 12 1 1 A 26 26 GLU HA H 26 4.330 4.411 -0.081 1
1 350 . 12 1 1 A 26 26 GLU C C 26 175.000 175.868 -0.868 1
1 351 . 12 1 1 A 26 26 GLU CA C 26 56.000 56.236 -0.236 1
1 352 . 12 1 1 A 26 26 GLU CB C 26 29.800 30.380 -0.580 1
1 354 . 12 1 1 A 26 26 GLU N N 26 115.000 115.721 -0.721 1
1 355 . 12 1 1 A 27 27 GLU H H 27 7.980 7.799 0.181 1
1 356 . 12 1 1 A 27 27 GLU HA H 27 3.950 3.843 0.107 1
1 361 . 12 1 1 A 27 27 GLU C C 27 175.900 175.168 0.732 1
1 362 . 12 1 1 A 27 27 GLU CA C 27 56.900 57.482 -0.582 1
1 363 . 12 1 1 A 27 27 GLU CB C 27 27.100 27.339 -0.239 1
1 365 . 12 1 1 A 27 27 GLU N N 27 116.300 117.147 -0.847 1
1 366 . 12 1 1 A 28 28 VAL H H 28 7.370 7.371 -0.001 1
1 367 . 12 1 1 A 28 28 VAL HA H 28 4.200 4.173 0.027 1
1 375 . 12 1 1 A 28 28 VAL C C 28 176.700 175.232 1.468 1
1 376 . 12 1 1 A 28 28 VAL CA C 28 61.600 61.841 -0.241 1
1 377 . 12 1 1 A 28 28 VAL CB C 28 32.600 31.955 0.645 1
1 380 . 12 1 1 A 28 28 VAL N N 28 112.200 116.137 -3.937 1
1 381 . 12 1 1 A 29 29 THR H H 29 7.400 8.670 -1.270 1
1 382 . 12 1 1 A 29 29 THR HA H 29 4.640 4.555 0.085 1
1 387 . 12 1 1 A 29 29 THR CA C 29 59.900 59.383 0.517 1
1 388 . 12 1 1 A 29 29 THR CB C 29 67.900 69.156 -1.256 1
1 390 . 12 1 1 A 29 29 THR N N 29 113.900 121.112 -7.212 1
1 391 . 12 1 1 A 30 30 PRO HA H 30 4.130 4.171 -0.041 1
1 398 . 12 1 1 A 30 30 PRO C C 30 177.600 178.582 -0.982 1
1 399 . 12 1 1 A 30 30 PRO CA C 30 66.300 65.740 0.560 1
1 400 . 12 1 1 A 30 30 PRO CB C 30 31.500 31.848 -0.348 1
1 403 . 12 1 1 A 31 31 ASP H H 31 8.390 8.328 0.062 1
1 404 . 12 1 1 A 31 31 ASP HA H 31 4.240 4.329 -0.089 1
1 407 . 12 1 1 A 31 31 ASP C C 31 178.900 178.969 -0.069 1
1 408 . 12 1 1 A 31 31 ASP CA C 31 57.000 57.510 -0.510 1
1 409 . 12 1 1 A 31 31 ASP CB C 31 40.000 40.568 -0.568 1
1 410 . 12 1 1 A 31 31 ASP N N 31 113.200 117.296 -4.096 1
1 411 . 12 1 1 A 32 32 LEU H H 32 7.460 8.004 -0.544 1
1 412 . 12 1 1 A 32 32 LEU HA H 32 4.190 4.111 0.079 1
1 422 . 12 1 1 A 32 32 LEU C C 32 178.900 178.491 0.409 1
1 423 . 12 1 1 A 32 32 LEU CA C 32 57.000 57.774 -0.774 1
1 424 . 12 1 1 A 32 32 LEU CB C 32 41.300 41.375 -0.075 1
1 428 . 12 1 1 A 32 32 LEU N N 32 123.000 121.176 1.824 1
1 429 . 12 1 1 A 33 33 ALA H H 33 8.930 8.657 0.273 1
1 430 . 12 1 1 A 33 33 ALA HA H 33 3.730 4.149 -0.419 1
1 434 . 12 1 1 A 33 33 ALA C C 33 179.800 179.916 -0.116 1
1 435 . 12 1 1 A 33 33 ALA CA C 33 55.900 55.319 0.581 1
1 436 . 12 1 1 A 33 33 ALA CB C 33 19.100 18.546 0.554 1
1 437 . 12 1 1 A 33 33 ALA N N 33 122.700 121.170 1.530 1
1 438 . 12 1 1 A 34 34 LEU H H 34 8.420 8.251 0.169 1
1 439 . 12 1 1 A 34 34 LEU HA H 34 4.010 3.974 0.036 1
1 449 . 12 1 1 A 34 34 LEU C C 34 179.700 179.334 0.366 1
1 450 . 12 1 1 A 34 34 LEU CA C 34 58.200 57.757 0.443 1
1 451 . 12 1 1 A 34 34 LEU CB C 34 41.200 41.143 0.057 1
1 455 . 12 1 1 A 34 34 LEU N N 34 115.800 118.090 -2.290 1
1 456 . 12 1 1 A 35 35 MET H H 35 7.730 8.417 -0.687 1
1 457 . 12 1 1 A 35 35 MET HA H 35 4.240 4.164 0.076 1
1 465 . 12 1 1 A 35 35 MET C C 35 179.500 178.064 1.436 1
1 466 . 12 1 1 A 35 35 MET CA C 35 59.300 58.607 0.693 1
1 467 . 12 1 1 A 35 35 MET CB C 35 32.900 32.321 0.579 1
1 470 . 12 1 1 A 35 35 MET N N 35 121.400 118.474 2.926 1
1 471 . 12 1 1 A 36 36 CYS H H 36 8.420 8.478 -0.058 1
1 472 . 12 1 1 A 36 36 CYS HA H 36 3.950 4.122 -0.172 1
1 475 . 12 1 1 A 36 36 CYS C C 36 177.000 177.178 -0.178 1
1 476 . 12 1 1 A 36 36 CYS CA C 36 64.200 63.882 0.318 1
1 477 . 12 1 1 A 36 36 CYS CB C 36 27.200 27.445 -0.245 1
1 478 . 12 1 1 A 36 36 CYS N N 36 118.600 117.751 0.849 1
1 479 . 12 1 1 A 37 37 LEU H H 37 9.020 8.607 0.413 1
1 480 . 12 1 1 A 37 37 LEU HA H 37 3.940 3.986 -0.046 1
1 490 . 12 1 1 A 37 37 LEU C C 37 179.100 179.210 -0.110 1
1 491 . 12 1 1 A 37 37 LEU CA C 37 58.300 58.589 -0.289 1
1 492 . 12 1 1 A 37 37 LEU CB C 37 42.200 42.035 0.165 1
1 496 . 12 1 1 A 37 37 LEU N N 37 119.600 120.915 -1.315 1
1 497 . 12 1 1 A 38 38 GLY H H 38 8.940 8.702 0.238 1
1 498 . 12 1 1 A 38 38 GLY HA2 H 38 3.610 3.759 -0.149 1
1 499 . 12 1 1 A 38 38 GLY HA3 H 38 3.970 3.780 0.190 1
1 500 . 12 1 1 A 38 38 GLY C C 38 179.800 176.019 3.781 1
1 501 . 12 1 1 A 38 38 GLY CA C 38 47.900 47.591 0.309 1
1 502 . 12 1 1 A 38 38 GLY N N 38 106.600 105.627 0.973 1
1 503 . 12 1 1 A 39 39 ASN H H 39 7.790 7.714 0.076 1
1 504 . 12 1 1 A 39 39 ASN HA H 39 4.440 4.468 -0.028 1
1 509 . 12 1 1 A 39 39 ASN C C 39 178.000 177.945 0.055 1
1 510 . 12 1 1 A 39 39 ASN CA C 39 56.300 56.231 0.069 1
1 511 . 12 1 1 A 39 39 ASN CB C 39 39.500 38.181 1.319 1
1 513 . 12 1 1 A 39 39 ASN N N 39 120.900 120.074 0.826 1
1 515 . 12 1 1 A 40 40 ALA H H 40 8.260 8.175 0.085 1
1 516 . 12 1 1 A 40 40 ALA HA H 40 3.970 4.195 -0.225 1
1 520 . 12 1 1 A 40 40 ALA C C 40 178.200 179.687 -1.487 1
1 521 . 12 1 1 A 40 40 ALA CA C 40 55.900 55.214 0.686 1
1 522 . 12 1 1 A 40 40 ALA CB C 40 17.200 18.485 -1.285 1
1 523 . 12 1 1 A 40 40 ALA N N 40 123.900 123.137 0.763 1
1 524 . 12 1 1 A 41 41 VAL H H 41 8.410 8.326 0.084 1
1 525 . 12 1 1 A 41 41 VAL HA H 41 3.180 3.317 -0.137 1
1 533 . 12 1 1 A 41 41 VAL C C 41 177.800 178.605 -0.805 1
1 534 . 12 1 1 A 41 41 VAL CA C 41 67.000 66.993 0.007 1
1 535 . 12 1 1 A 41 41 VAL CB C 41 30.900 31.438 -0.538 1
1 538 . 12 1 1 A 41 41 VAL N N 41 116.900 117.288 -0.388 1
1 539 . 12 1 1 A 42 42 THR H H 42 8.210 8.114 0.096 1
1 540 . 12 1 1 A 42 42 THR HA H 42 3.430 3.798 -0.368 1
1 545 . 12 1 1 A 42 42 THR C C 42 175.900 176.389 -0.489 1
1 546 . 12 1 1 A 42 42 THR CA C 42 67.500 67.265 0.235 1
1 547 . 12 1 1 A 42 42 THR CB C 42 68.000 68.315 -0.315 1
1 549 . 12 1 1 A 42 42 THR N N 42 114.800 116.881 -2.081 1
1 550 . 12 1 1 A 43 43 ASN H H 43 7.600 8.267 -0.667 1
1 551 . 12 1 1 A 43 43 ASN HA H 43 4.170 4.429 -0.259 1
1 556 . 12 1 1 A 43 43 ASN C C 43 177.300 177.877 -0.577 1
1 557 . 12 1 1 A 43 43 ASN CA C 43 57.000 56.588 0.412 1
1 558 . 12 1 1 A 43 43 ASN CB C 43 39.400 38.790 0.610 1
1 560 . 12 1 1 A 43 43 ASN N N 43 120.300 119.310 0.990 1
1 562 . 12 1 1 A 44 44 ILE H H 44 7.630 7.619 0.011 1
1 563 . 12 1 1 A 44 44 ILE HA H 44 3.770 3.593 0.177 1
1 573 . 12 1 1 A 44 44 ILE C C 44 179.200 178.219 0.981 1
1 574 . 12 1 1 A 44 44 ILE CA C 44 62.100 65.342 -3.242 1
1 575 . 12 1 1 A 44 44 ILE CB C 44 35.700 38.001 -2.301 1
1 579 . 12 1 1 A 44 44 ILE N N 44 119.700 119.368 0.332 1
1 580 . 12 1 1 A 45 45 ILE H H 45 8.460 8.227 0.233 1
1 581 . 12 1 1 A 45 45 ILE HA H 45 3.550 3.818 -0.268 1
1 591 . 12 1 1 A 45 45 ILE C C 45 177.100 178.187 -1.087 1
1 592 . 12 1 1 A 45 45 ILE CA C 45 65.100 63.934 1.166 1
1 593 . 12 1 1 A 45 45 ILE CB C 45 36.600 36.953 -0.353 1
1 597 . 12 1 1 A 45 45 ILE N N 45 120.300 118.935 1.365 1
1 598 . 12 1 1 A 46 46 ALA H H 46 7.750 7.896 -0.146 1
1 599 . 12 1 1 A 46 46 ALA HA H 46 3.950 4.127 -0.177 1
1 603 . 12 1 1 A 46 46 ALA C C 46 178.000 178.542 -0.542 1
1 604 . 12 1 1 A 46 46 ALA CA C 46 54.000 54.584 -0.584 1
1 605 . 12 1 1 A 46 46 ALA CB C 46 17.900 18.192 -0.292 1
1 606 . 12 1 1 A 46 46 ALA N N 46 120.000 124.206 -4.206 1
1 607 . 12 1 1 A 47 47 GLN H H 47 7.610 7.597 0.013 1
1 608 . 12 1 1 A 47 47 GLN HA H 47 4.190 4.385 -0.195 1
1 615 . 12 1 1 A 47 47 GLN C C 47 177.100 175.774 1.326 1
1 616 . 12 1 1 A 47 47 GLN CA C 47 56.000 56.330 -0.330 1
1 617 . 12 1 1 A 47 47 GLN CB C 47 29.000 29.462 -0.462 1
1 620 . 12 1 1 A 47 47 GLN N N 47 114.000 114.857 -0.857 1
1 622 . 12 1 1 A 48 48 VAL H H 48 7.740 7.527 0.213 1
1 623 . 12 1 1 A 48 48 VAL HA H 48 4.390 4.194 0.196 1
1 631 . 12 1 1 A 48 48 VAL CA C 48 59.900 59.107 0.793 1
1 632 . 12 1 1 A 48 48 VAL CB C 48 31.900 32.244 -0.344 1
1 635 . 12 1 1 A 48 48 VAL N N 48 122.400 122.050 0.350 1
1 636 . 12 1 1 A 49 49 PRO HA H 49 4.340 4.497 -0.157 1
1 643 . 12 1 1 A 49 49 PRO C C 49 177.700 177.801 -0.101 1
1 644 . 12 1 1 A 49 49 PRO CA C 49 63.700 63.415 0.285 1
1 645 . 12 1 1 A 49 49 PRO CB C 49 32.300 32.631 -0.331 1
1 648 . 12 1 1 A 50 50 GLU H H 50 8.960 8.627 0.333 1
1 649 . 12 1 1 A 50 50 GLU HA H 50 3.580 3.955 -0.375 1
1 654 . 12 1 1 A 50 50 GLU C C 50 178.300 178.926 -0.626 1
1 655 . 12 1 1 A 50 50 GLU CA C 50 60.800 59.581 1.219 1
1 656 . 12 1 1 A 50 50 GLU CB C 50 29.900 29.375 0.525 1
1 658 . 12 1 1 A 50 50 GLU N N 50 124.400 123.104 1.296 1
1 659 . 12 1 1 A 51 51 SER H H 51 8.640 8.192 0.448 1
1 660 . 12 1 1 A 51 51 SER HA H 51 4.240 4.223 0.017 1
1 663 . 12 1 1 A 51 51 SER C C 51 175.200 175.023 0.177 1
1 664 . 12 1 1 A 51 51 SER CA C 51 60.600 61.025 -0.425 1
1 665 . 12 1 1 A 51 51 SER CB C 51 62.600 63.235 -0.635 1
1 666 . 12 1 1 A 51 51 SER N N 51 112.000 115.474 -3.474 1
1 667 . 12 1 1 A 52 52 LYS H H 52 7.950 8.292 -0.342 1
1 668 . 12 1 1 A 52 52 LYS HA H 52 4.650 4.526 0.124 1
1 677 . 12 1 1 A 52 52 LYS C C 52 176.700 177.891 -1.191 1
1 678 . 12 1 1 A 52 52 LYS CA C 52 55.500 55.590 -0.090 1
1 679 . 12 1 1 A 52 52 LYS CB C 52 34.000 33.014 0.986 1
1 683 . 12 1 1 A 52 52 LYS N N 52 119.600 117.387 2.213 1
1 684 . 12 1 1 A 53 53 ARG H H 53 7.290 7.851 -0.561 1
1 685 . 12 1 1 A 53 53 ARG HA H 53 3.530 4.098 -0.568 1
1 695 . 12 1 1 A 53 53 ARG C C 53 177.300 178.814 -1.514 1
1 696 . 12 1 1 A 53 53 ARG CA C 53 61.700 58.417 3.283 1
1 697 . 12 1 1 A 53 53 ARG CB C 53 30.800 29.859 0.941 1
1 700 . 12 1 1 A 53 53 ARG N N 53 119.000 120.495 -1.495 1
1 702 . 12 1 1 A 54 54 VAL H H 54 8.440 8.060 0.380 1
1 703 . 12 1 1 A 54 54 VAL HA H 54 3.460 3.608 -0.148 1
1 711 . 12 1 1 A 54 54 VAL C C 54 177.400 178.105 -0.705 1
1 712 . 12 1 1 A 54 54 VAL CA C 54 67.200 66.311 0.889 1
1 713 . 12 1 1 A 54 54 VAL CB C 54 31.000 31.573 -0.573 1
1 716 . 12 1 1 A 54 54 VAL N N 54 118.400 119.987 -1.587 1
1 717 . 12 1 1 A 55 55 ALA H H 55 8.120 8.054 0.066 1
1 718 . 12 1 1 A 55 55 ALA HA H 55 4.180 4.020 0.160 1
1 722 . 12 1 1 A 55 55 ALA C C 55 180.700 179.616 1.084 1
1 723 . 12 1 1 A 55 55 ALA CA C 55 55.000 55.465 -0.465 1
1 724 . 12 1 1 A 55 55 ALA CB C 55 17.900 18.411 -0.511 1
1 725 . 12 1 1 A 55 55 ALA N N 55 122.300 121.855 0.445 1
1 726 . 12 1 1 A 56 56 VAL H H 56 8.040 7.610 0.430 1
1 727 . 12 1 1 A 56 56 VAL HA H 56 3.780 3.682 0.098 1
1 735 . 12 1 1 A 56 56 VAL C C 56 179.400 178.055 1.345 1
1 736 . 12 1 1 A 56 56 VAL CA C 56 66.700 65.641 1.059 1
1 737 . 12 1 1 A 56 56 VAL CB C 56 31.400 31.690 -0.290 1
1 740 . 12 1 1 A 56 56 VAL N N 56 117.900 116.521 1.379 1
1 741 . 12 1 1 A 57 57 VAL H H 57 8.510 7.974 0.536 1
1 742 . 12 1 1 A 57 57 VAL HA H 57 3.760 3.877 -0.117 1
1 750 . 12 1 1 A 57 57 VAL C C 57 177.900 177.249 0.651 1
1 751 . 12 1 1 A 57 57 VAL CA C 57 66.700 65.037 1.663 1
1 752 . 12 1 1 A 57 57 VAL CB C 57 31.400 31.345 0.055 1
1 755 . 12 1 1 A 57 57 VAL N N 57 121.600 122.974 -1.374 1
1 756 . 12 1 1 A 58 58 ASP H H 58 8.800 8.101 0.699 1
1 757 . 12 1 1 A 58 58 ASP HA H 58 4.420 4.453 -0.033 1
1 760 . 12 1 1 A 58 58 ASP C C 58 178.500 178.839 -0.339 1
1 761 . 12 1 1 A 58 58 ASP CA C 58 57.800 57.288 0.512 1
1 762 . 12 1 1 A 58 58 ASP CB C 58 40.000 41.023 -1.023 1
1 763 . 12 1 1 A 58 58 ASP N N 58 124.800 121.465 3.335 1
1 764 . 12 1 1 A 59 59 ASN H H 59 8.500 7.873 0.627 1
1 765 . 12 1 1 A 59 59 ASN HA H 59 4.460 4.536 -0.076 1
1 770 . 12 1 1 A 59 59 ASN C C 59 177.700 177.638 0.062 1
1 771 . 12 1 1 A 59 59 ASN CA C 59 56.500 56.382 0.118 1
1 772 . 12 1 1 A 59 59 ASN CB C 59 38.300 38.397 -0.097 1
1 774 . 12 1 1 A 59 59 ASN N N 59 118.800 116.515 2.285 1
1 776 . 12 1 1 A 60 60 PHE H H 60 8.540 8.114 0.426 1
1 777 . 12 1 1 A 60 60 PHE HA H 60 4.210 4.143 0.067 1
1 785 . 12 1 1 A 60 60 PHE C C 60 177.700 177.519 0.181 1
1 786 . 12 1 1 A 60 60 PHE CA C 60 61.600 61.620 -0.020 1
1 787 . 12 1 1 A 60 60 PHE CB C 60 39.800 39.194 0.606 1
1 793 . 12 1 1 A 60 60 PHE N N 60 121.800 122.807 -1.007 1
1 794 . 12 1 1 A 61 61 THR H H 61 8.820 8.290 0.530 1
1 795 . 12 1 1 A 61 61 THR HA H 61 3.820 3.868 -0.048 1
1 801 . 12 1 1 A 61 61 THR C C 61 176.700 176.589 0.111 1
1 802 . 12 1 1 A 61 61 THR CA C 61 66.200 66.127 0.073 1
1 803 . 12 1 1 A 61 61 THR CB C 61 68.400 68.609 -0.209 1
1 805 . 12 1 1 A 61 61 THR N N 61 112.200 111.179 1.021 1
1 806 . 12 1 1 A 62 62 LYS H H 62 8.190 8.357 -0.167 1
1 807 . 12 1 1 A 62 62 LYS HA H 62 4.010 3.900 0.110 1
1 816 . 12 1 1 A 62 62 LYS C C 62 179.100 178.629 0.471 1
1 817 . 12 1 1 A 62 62 LYS CA C 62 60.100 59.352 0.748 1
1 818 . 12 1 1 A 62 62 LYS CB C 62 32.500 32.345 0.155 1
1 822 . 12 1 1 A 62 62 LYS N N 62 124.000 121.971 2.029 1
1 823 . 12 1 1 A 63 63 ALA H H 63 7.800 7.886 -0.086 1
1 824 . 12 1 1 A 63 63 ALA HA H 63 4.070 4.022 0.048 1
1 828 . 12 1 1 A 63 63 ALA C C 63 180.400 179.841 0.559 1
1 829 . 12 1 1 A 63 63 ALA CA C 63 54.700 54.899 -0.199 1
1 830 . 12 1 1 A 63 63 ALA CB C 63 17.800 18.205 -0.405 1
1 831 . 12 1 1 A 63 63 ALA N N 63 121.500 120.789 0.711 1
1 832 . 12 1 1 A 64 64 LEU H H 64 7.850 8.087 -0.237 1
1 833 . 12 1 1 A 64 64 LEU HA H 64 3.900 3.790 0.110 1
1 843 . 12 1 1 A 64 64 LEU C C 64 178.600 178.908 -0.308 1
1 844 . 12 1 1 A 64 64 LEU CA C 64 57.300 58.002 -0.702 1
1 845 . 12 1 1 A 64 64 LEU CB C 64 41.900 41.724 0.176 1
1 849 . 12 1 1 A 64 64 LEU N N 64 120.100 118.622 1.478 1
1 850 . 12 1 1 A 65 65 LYS H H 65 7.970 7.912 0.058 1
1 851 . 12 1 1 A 65 65 LYS HA H 65 3.730 3.907 -0.177 1
1 860 . 12 1 1 A 65 65 LYS C C 65 178.300 179.083 -0.783 1
1 861 . 12 1 1 A 65 65 LYS CA C 65 60.400 60.160 0.240 1
1 862 . 12 1 1 A 65 65 LYS CB C 65 31.900 31.964 -0.064 1
1 866 . 12 1 1 A 65 65 LYS N N 65 118.100 117.557 0.543 1
1 867 . 12 1 1 A 66 66 GLN H H 66 7.820 7.898 -0.078 1
1 868 . 12 1 1 A 66 66 GLN HA H 66 3.950 4.084 -0.134 1
1 875 . 12 1 1 A 66 66 GLN C C 66 178.000 178.371 -0.371 1
1 876 . 12 1 1 A 66 66 GLN CA C 66 58.700 58.873 -0.173 1
1 877 . 12 1 1 A 66 66 GLN CB C 66 28.200 28.628 -0.428 1
1 880 . 12 1 1 A 66 66 GLN N N 66 116.800 120.107 -3.307 1
1 882 . 12 1 1 A 67 67 SER H H 67 8.060 8.304 -0.244 1
1 883 . 12 1 1 A 67 67 SER HA H 67 4.150 4.271 -0.121 1
1 886 . 12 1 1 A 67 67 SER C C 67 176.900 175.644 1.256 1
1 887 . 12 1 1 A 67 67 SER CA C 67 61.500 60.745 0.755 1
1 888 . 12 1 1 A 67 67 SER CB C 67 63.000 63.114 -0.114 1
1 889 . 12 1 1 A 67 67 SER N N 67 114.200 117.248 -3.048 1
1 890 . 12 1 1 A 68 68 VAL H H 68 7.860 7.352 0.508 1
1 891 . 12 1 1 A 68 68 VAL HA H 68 3.850 3.945 -0.095 1
1 899 . 12 1 1 A 68 68 VAL C C 68 177.600 178.206 -0.606 1
1 900 . 12 1 1 A 68 68 VAL CA C 68 64.900 65.350 -0.450 1
1 901 . 12 1 1 A 68 68 VAL CB C 68 32.000 32.033 -0.033 1
1 904 . 12 1 1 A 68 68 VAL N N 68 119.300 120.632 -1.332 1
1 905 . 12 1 1 A 69 69 LEU H H 69 7.880 8.046 -0.166 1
1 906 . 12 1 1 A 69 69 LEU HA H 69 4.150 4.025 0.125 1
1 916 . 12 1 1 A 69 69 LEU C C 69 178.400 177.553 0.847 1
1 917 . 12 1 1 A 69 69 LEU CA C 69 56.500 57.781 -1.281 1
1 918 . 12 1 1 A 69 69 LEU CB C 69 41.800 41.569 0.231 1
1 922 . 12 1 1 A 69 69 LEU N N 69 119.800 119.676 0.124 1
1 923 . 12 1 1 A 70 70 GLU H H 70 7.820 7.589 0.231 1
1 924 . 12 1 1 A 70 70 GLU HA H 70 4.130 4.621 -0.491 1
1 929 . 12 1 1 A 70 70 GLU C C 70 176.700 175.885 0.815 1
1 930 . 12 1 1 A 70 70 GLU CA C 70 56.900 55.590 1.310 1
1 931 . 12 1 1 A 70 70 GLU CB C 70 29.800 29.930 -0.130 1
1 933 . 12 1 1 A 70 70 GLU N N 70 118.000 115.854 2.146 1
1 934 . 12 1 1 A 71 71 HIS H H 71 7.950 7.856 0.094 1
1 935 . 12 1 1 A 71 71 HIS HA H 71 4.460 4.768 -0.308 1
1 938 . 12 1 1 A 71 71 HIS C C 71 174.700 174.294 0.406 1
1 939 . 12 1 1 A 71 71 HIS CA C 71 56.300 54.504 1.796 1
1 940 . 12 1 1 A 71 71 HIS CB C 71 28.800 28.800 0.000 1
1 941 . 12 1 1 A 71 71 HIS N N 71 117.800 121.830 -4.030 1
1 942 . 12 1 1 A 72 72 HIS H H 72 8.260 8.650 -0.390 1
1 943 . 12 1 1 A 72 72 HIS HA H 72 4.590 4.446 0.144 1
1 946 . 12 1 1 A 72 72 HIS C C 72 174.500 175.372 -0.872 1
1 947 . 12 1 1 A 72 72 HIS CA C 72 55.700 56.005 -0.305 1
1 948 . 12 1 1 A 72 72 HIS CB C 72 29.600 29.704 -0.104 1
1 949 . 12 1 1 A 72 72 HIS N N 72 119.100 121.212 -2.112 1
1 950 . 12 1 1 A 73 73 HIS H H 73 8.420 9.002 -0.582 1
1 951 . 12 1 1 A 73 73 HIS HA H 73 4.580 4.449 0.131 1
1 954 . 12 1 1 A 73 73 HIS C C 73 174.400 174.650 -0.250 1
1 955 . 12 1 1 A 73 73 HIS CA C 73 55.500 57.700 -2.200 1
1 956 . 12 1 1 A 73 73 HIS CB C 73 29.600 31.278 -1.678 1
1 957 . 12 1 1 A 73 73 HIS N N 73 119.700 122.750 -3.050 1
1 958 . 12 1 1 A 74 74 HIS H H 74 8.470 8.136 0.334 1
1 959 . 12 1 1 A 74 74 HIS HA H 74 4.570 5.405 -0.835 1
1 962 . 12 1 1 A 74 74 HIS C C 74 173.600 173.463 0.137 1
1 963 . 12 1 1 A 74 74 HIS CA C 74 55.600 53.654 1.946 1
1 964 . 12 1 1 A 74 74 HIS CB C 74 29.500 33.451 -3.951 1
1 965 . 12 1 1 A 74 74 HIS N N 74 120.500 114.221 6.279 1
1 966 . 12 1 1 A 75 75 HIS H H 75 8.290 9.052 -0.762 1
1 967 . 12 1 1 A 75 75 HIS HA H 75 4.400 5.035 -0.635 1
1 970 . 12 1 1 A 75 75 HIS CA C 75 57.100 54.615 2.485 1
1 971 . 12 1 1 A 75 75 HIS CB C 75 29.700 31.826 -2.126 1
1 1 . 13 1 1 A 2 2 PRO HA H 2 4.400 4.624 -0.224 1
1 8 . 13 1 1 A 2 2 PRO C C 2 172.300 176.934 -4.634 1
1 9 . 13 1 1 A 2 2 PRO CA C 2 62.200 62.780 -0.580 1
1 10 . 13 1 1 A 2 2 PRO CB C 2 32.600 31.644 0.956 1
1 13 . 13 1 1 A 3 3 ILE H H 3 8.630 8.206 0.424 1
1 14 . 13 1 1 A 3 3 ILE HA H 3 4.190 4.403 -0.213 1
1 24 . 13 1 1 A 3 3 ILE C C 3 176.100 175.418 0.682 1
1 25 . 13 1 1 A 3 3 ILE CA C 3 61.500 59.647 1.853 1
1 26 . 13 1 1 A 3 3 ILE CB C 3 38.600 39.129 -0.529 1
1 30 . 13 1 1 A 3 3 ILE N N 3 120.700 118.269 2.431 1
1 31 . 13 1 1 A 4 4 VAL H H 4 8.380 8.553 -0.173 1
1 32 . 13 1 1 A 4 4 VAL HA H 4 4.140 3.998 0.142 1
1 40 . 13 1 1 A 4 4 VAL C C 4 175.800 176.834 -1.034 1
1 41 . 13 1 1 A 4 4 VAL CA C 4 62.100 62.000 0.100 1
1 42 . 13 1 1 A 4 4 VAL CB C 4 32.800 32.101 0.699 1
1 45 . 13 1 1 A 4 4 VAL N N 4 125.500 123.784 1.716 1
1 46 . 13 1 1 A 5 5 SER H H 5 8.450 9.001 -0.551 1
1 47 . 13 1 1 A 5 5 SER HA H 5 4.420 4.072 0.348 1
1 50 . 13 1 1 A 5 5 SER C C 5 174.300 175.286 -0.986 1
1 51 . 13 1 1 A 5 5 SER CA C 5 57.900 61.432 -3.532 1
1 52 . 13 1 1 A 5 5 SER CB C 5 64.000 62.631 1.369 1
1 53 . 13 1 1 A 5 5 SER N N 5 120.500 120.436 0.064 1
1 54 . 13 1 1 A 6 6 LYS H H 6 8.330 7.631 0.699 1
1 55 . 13 1 1 A 6 6 LYS HA H 6 4.150 4.389 -0.239 1
1 64 . 13 1 1 A 6 6 LYS C C 6 176.000 175.969 0.031 1
1 65 . 13 1 1 A 6 6 LYS CA C 6 56.800 56.258 0.542 1
1 66 . 13 1 1 A 6 6 LYS CB C 6 33.000 33.571 -0.571 1
1 70 . 13 1 1 A 6 6 LYS N N 6 123.400 116.742 6.658 1
1 71 . 13 1 1 A 7 7 TYR H H 7 8.150 7.943 0.207 1
1 72 . 13 1 1 A 7 7 TYR HA H 7 4.640 4.531 0.109 1
1 79 . 13 1 1 A 7 7 TYR C C 7 175.400 175.034 0.366 1
1 80 . 13 1 1 A 7 7 TYR CA C 7 56.700 60.425 -3.725 1
1 81 . 13 1 1 A 7 7 TYR CB C 7 39.300 37.106 2.194 1
1 86 . 13 1 1 A 7 7 TYR N N 7 120.000 118.000 2.000 1
1 87 . 13 1 1 A 8 8 SER H H 8 8.360 8.377 -0.017 1
1 88 . 13 1 1 A 8 8 SER HA H 8 4.400 5.130 -0.730 1
1 91 . 13 1 1 A 8 8 SER C C 8 174.700 175.397 -0.697 1
1 92 . 13 1 1 A 8 8 SER CA C 8 57.600 56.371 1.229 1
1 93 . 13 1 1 A 8 8 SER CB C 8 64.000 64.462 -0.462 1
1 94 . 13 1 1 A 8 8 SER N N 8 118.100 115.659 2.441 1
1 95 . 13 1 1 A 9 9 ASN H H 9 8.900 9.061 -0.161 1
1 96 . 13 1 1 A 9 9 ASN HA H 9 4.400 4.412 -0.012 1
1 101 . 13 1 1 A 9 9 ASN C C 9 176.800 177.443 -0.643 1
1 102 . 13 1 1 A 9 9 ASN CA C 9 55.900 57.254 -1.354 1
1 103 . 13 1 1 A 9 9 ASN CB C 9 38.300 37.985 0.315 1
1 105 . 13 1 1 A 9 9 ASN N N 9 122.300 123.353 -1.053 1
1 107 . 13 1 1 A 10 10 GLU H H 10 8.740 8.459 0.281 1
1 108 . 13 1 1 A 10 10 GLU HA H 10 4.000 3.982 0.018 1
1 113 . 13 1 1 A 10 10 GLU C C 10 178.500 178.713 -0.213 1
1 114 . 13 1 1 A 10 10 GLU CA C 10 59.900 59.541 0.359 1
1 115 . 13 1 1 A 10 10 GLU CB C 10 29.000 29.327 -0.327 1
1 117 . 13 1 1 A 10 10 GLU N N 10 119.000 119.689 -0.689 1
1 118 . 13 1 1 A 11 11 ARG H H 11 7.750 7.968 -0.218 1
1 119 . 13 1 1 A 11 11 ARG HA H 11 4.070 4.188 -0.118 1
1 127 . 13 1 1 A 11 11 ARG C C 11 178.000 178.643 -0.643 1
1 128 . 13 1 1 A 11 11 ARG CA C 11 58.800 58.598 0.202 1
1 129 . 13 1 1 A 11 11 ARG CB C 11 30.100 29.933 0.167 1
1 132 . 13 1 1 A 11 11 ARG N N 11 121.500 120.871 0.629 1
1 134 . 13 1 1 A 12 12 VAL H H 12 7.830 8.256 -0.426 1
1 135 . 13 1 1 A 12 12 VAL HA H 12 3.420 3.494 -0.074 1
1 143 . 13 1 1 A 12 12 VAL C C 12 177.400 177.695 -0.295 1
1 144 . 13 1 1 A 12 12 VAL CA C 12 67.000 66.928 0.072 1
1 145 . 13 1 1 A 12 12 VAL CB C 12 32.100 31.418 0.682 1
1 148 . 13 1 1 A 12 12 VAL N N 12 118.800 120.236 -1.436 1
1 149 . 13 1 1 A 13 13 GLU H H 13 8.220 8.246 -0.026 1
1 150 . 13 1 1 A 13 13 GLU HA H 13 3.890 4.051 -0.161 1
1 155 . 13 1 1 A 13 13 GLU C C 13 178.900 179.718 -0.818 1
1 156 . 13 1 1 A 13 13 GLU CA C 13 59.500 59.167 0.333 1
1 157 . 13 1 1 A 13 13 GLU CB C 13 29.000 29.050 -0.050 1
1 159 . 13 1 1 A 13 13 GLU N N 13 116.800 118.562 -1.762 1
1 160 . 13 1 1 A 14 14 LYS H H 14 7.600 7.726 -0.126 1
1 161 . 13 1 1 A 14 14 LYS HA H 14 4.030 4.197 -0.167 1
1 170 . 13 1 1 A 14 14 LYS C C 14 177.700 178.835 -1.135 1
1 171 . 13 1 1 A 14 14 LYS CA C 14 59.100 58.679 0.421 1
1 172 . 13 1 1 A 14 14 LYS CB C 14 32.100 32.063 0.037 1
1 176 . 13 1 1 A 14 14 LYS N N 14 120.400 120.973 -0.573 1
1 177 . 13 1 1 A 15 15 ILE H H 15 7.830 8.193 -0.363 1
1 178 . 13 1 1 A 15 15 ILE HA H 15 3.630 3.614 0.016 1
1 188 . 13 1 1 A 15 15 ILE C C 15 178.200 178.242 -0.042 1
1 189 . 13 1 1 A 15 15 ILE CA C 15 65.700 65.663 0.037 1
1 190 . 13 1 1 A 15 15 ILE CB C 15 37.500 37.568 -0.068 1
1 194 . 13 1 1 A 15 15 ILE N N 15 119.700 120.240 -0.540 1
1 195 . 13 1 1 A 16 16 ILE H H 16 8.080 8.103 -0.023 1
1 196 . 13 1 1 A 16 16 ILE HA H 16 3.360 3.531 -0.171 1
1 206 . 13 1 1 A 16 16 ILE C C 16 177.500 178.065 -0.565 1
1 207 . 13 1 1 A 16 16 ILE CA C 16 66.600 65.327 1.273 1
1 208 . 13 1 1 A 16 16 ILE CB C 16 38.300 37.649 0.651 1
1 212 . 13 1 1 A 16 16 ILE N N 16 117.900 120.869 -2.969 1
1 213 . 13 1 1 A 17 17 GLN H H 17 8.010 8.282 -0.272 1
1 214 . 13 1 1 A 17 17 GLN HA H 17 3.830 3.890 -0.060 1
1 221 . 13 1 1 A 17 17 GLN C C 17 178.000 178.444 -0.444 1
1 222 . 13 1 1 A 17 17 GLN CA C 17 58.400 59.534 -1.134 1
1 223 . 13 1 1 A 17 17 GLN CB C 17 28.100 28.188 -0.088 1
1 225 . 13 1 1 A 17 17 GLN N N 17 117.900 120.744 -2.844 1
1 227 . 13 1 1 A 18 18 ASP H H 18 8.710 8.244 0.466 1
1 228 . 13 1 1 A 18 18 ASP HA H 18 4.400 4.417 -0.017 1
1 231 . 13 1 1 A 18 18 ASP C C 18 179.800 178.868 0.932 1
1 232 . 13 1 1 A 18 18 ASP CA C 18 57.400 57.315 0.085 1
1 233 . 13 1 1 A 18 18 ASP CB C 18 39.900 40.550 -0.650 1
1 234 . 13 1 1 A 18 18 ASP N N 18 121.000 119.691 1.309 1
1 235 . 13 1 1 A 19 19 LEU H H 19 8.260 7.980 0.280 1
1 236 . 13 1 1 A 19 19 LEU HA H 19 4.010 4.006 0.004 1
1 246 . 13 1 1 A 19 19 LEU C C 19 178.200 179.474 -1.274 1
1 247 . 13 1 1 A 19 19 LEU CA C 19 58.100 58.077 0.023 1
1 248 . 13 1 1 A 19 19 LEU CB C 19 42.400 41.652 0.748 1
1 252 . 13 1 1 A 19 19 LEU N N 19 120.800 120.940 -0.140 1
1 253 . 13 1 1 A 20 20 LEU H H 20 8.160 8.279 -0.119 1
1 254 . 13 1 1 A 20 20 LEU HA H 20 3.940 3.940 0.000 1
1 264 . 13 1 1 A 20 20 LEU C C 20 180.100 179.183 0.917 1
1 265 . 13 1 1 A 20 20 LEU CA C 20 57.900 58.100 -0.200 1
1 266 . 13 1 1 A 20 20 LEU CB C 20 40.800 41.144 -0.344 1
1 270 . 13 1 1 A 20 20 LEU N N 20 117.300 118.671 -1.371 1
1 271 . 13 1 1 A 21 21 ASP H H 21 9.000 8.511 0.489 1
1 272 . 13 1 1 A 21 21 ASP HA H 21 4.420 4.399 0.021 1
1 275 . 13 1 1 A 21 21 ASP C C 21 179.000 178.759 0.241 1
1 276 . 13 1 1 A 21 21 ASP CA C 21 57.300 57.560 -0.260 1
1 277 . 13 1 1 A 21 21 ASP CB C 21 40.500 40.772 -0.272 1
1 278 . 13 1 1 A 21 21 ASP N N 21 120.000 120.175 -0.175 1
1 279 . 13 1 1 A 22 22 VAL H H 22 7.370 7.816 -0.446 1
1 280 . 13 1 1 A 22 22 VAL HA H 22 3.600 3.578 0.022 1
1 288 . 13 1 1 A 22 22 VAL C C 22 177.700 178.190 -0.490 1
1 289 . 13 1 1 A 22 22 VAL CA C 22 66.300 66.746 -0.446 1
1 290 . 13 1 1 A 22 22 VAL CB C 22 32.000 31.425 0.575 1
1 293 . 13 1 1 A 22 22 VAL N N 22 119.800 119.920 -0.120 1
1 294 . 13 1 1 A 23 23 LEU H H 23 6.880 7.842 -0.962 1
1 295 . 13 1 1 A 23 23 LEU HA H 23 3.880 3.962 -0.082 1
1 305 . 13 1 1 A 23 23 LEU C C 23 179.100 179.169 -0.069 1
1 306 . 13 1 1 A 23 23 LEU CA C 23 57.100 58.025 -0.925 1
1 307 . 13 1 1 A 23 23 LEU CB C 23 40.600 42.071 -1.471 1
1 311 . 13 1 1 A 23 23 LEU N N 23 116.500 119.136 -2.636 1
1 312 . 13 1 1 A 24 24 VAL H H 24 8.430 8.434 -0.004 1
1 313 . 13 1 1 A 24 24 VAL HA H 24 3.780 3.546 0.234 1
1 321 . 13 1 1 A 24 24 VAL C C 24 180.800 178.337 2.463 1
1 322 . 13 1 1 A 24 24 VAL CA C 24 65.900 67.276 -1.376 1
1 323 . 13 1 1 A 24 24 VAL CB C 24 32.200 31.380 0.820 1
1 326 . 13 1 1 A 24 24 VAL N N 24 120.300 119.239 1.061 1
1 327 . 13 1 1 A 25 25 LYS H H 25 8.380 8.213 0.167 1
1 328 . 13 1 1 A 25 25 LYS HA H 25 4.030 3.982 0.048 1
1 337 . 13 1 1 A 25 25 LYS C C 25 178.500 178.719 -0.219 1
1 338 . 13 1 1 A 25 25 LYS CA C 25 59.400 58.910 0.490 1
1 339 . 13 1 1 A 25 25 LYS CB C 25 32.300 32.040 0.260 1
1 343 . 13 1 1 A 25 25 LYS N N 25 121.900 119.716 2.184 1
1 344 . 13 1 1 A 26 26 GLU H H 26 7.360 7.633 -0.273 1
1 345 . 13 1 1 A 26 26 GLU HA H 26 4.330 4.339 -0.009 1
1 350 . 13 1 1 A 26 26 GLU C C 26 175.000 175.864 -0.864 1
1 351 . 13 1 1 A 26 26 GLU CA C 26 56.000 56.515 -0.515 1
1 352 . 13 1 1 A 26 26 GLU CB C 26 29.800 30.248 -0.448 1
1 354 . 13 1 1 A 26 26 GLU N N 26 115.000 115.751 -0.751 1
1 355 . 13 1 1 A 27 27 GLU H H 27 7.980 7.601 0.379 1
1 356 . 13 1 1 A 27 27 GLU HA H 27 3.950 3.820 0.130 1
1 361 . 13 1 1 A 27 27 GLU C C 27 175.900 175.011 0.889 1
1 362 . 13 1 1 A 27 27 GLU CA C 27 56.900 57.356 -0.456 1
1 363 . 13 1 1 A 27 27 GLU CB C 27 27.100 27.219 -0.119 1
1 365 . 13 1 1 A 27 27 GLU N N 27 116.300 116.943 -0.643 1
1 366 . 13 1 1 A 28 28 VAL H H 28 7.370 7.329 0.041 1
1 367 . 13 1 1 A 28 28 VAL HA H 28 4.200 4.229 -0.029 1
1 375 . 13 1 1 A 28 28 VAL C C 28 176.700 175.327 1.373 1
1 376 . 13 1 1 A 28 28 VAL CA C 28 61.600 61.727 -0.127 1
1 377 . 13 1 1 A 28 28 VAL CB C 28 32.600 32.829 -0.229 1
1 380 . 13 1 1 A 28 28 VAL N N 28 112.200 115.894 -3.694 1
1 381 . 13 1 1 A 29 29 THR H H 29 7.400 8.518 -1.118 1
1 382 . 13 1 1 A 29 29 THR HA H 29 4.640 4.696 -0.056 1
1 387 . 13 1 1 A 29 29 THR CA C 29 59.900 58.817 1.083 1
1 388 . 13 1 1 A 29 29 THR CB C 29 67.900 68.906 -1.006 1
1 390 . 13 1 1 A 29 29 THR N N 29 113.900 119.216 -5.316 1
1 391 . 13 1 1 A 30 30 PRO HA H 30 4.130 4.125 0.005 1
1 398 . 13 1 1 A 30 30 PRO C C 30 177.600 177.568 0.032 1
1 399 . 13 1 1 A 30 30 PRO CA C 30 66.300 65.667 0.633 1
1 400 . 13 1 1 A 30 30 PRO CB C 30 31.500 31.928 -0.428 1
1 403 . 13 1 1 A 31 31 ASP H H 31 8.390 7.834 0.556 1
1 404 . 13 1 1 A 31 31 ASP HA H 31 4.240 4.407 -0.167 1
1 407 . 13 1 1 A 31 31 ASP C C 31 178.900 178.552 0.348 1
1 408 . 13 1 1 A 31 31 ASP CA C 31 57.000 57.060 -0.060 1
1 409 . 13 1 1 A 31 31 ASP CB C 31 40.000 41.445 -1.445 1
1 410 . 13 1 1 A 31 31 ASP N N 31 113.200 117.503 -4.303 1
1 411 . 13 1 1 A 32 32 LEU H H 32 7.460 8.046 -0.586 1
1 412 . 13 1 1 A 32 32 LEU HA H 32 4.190 4.095 0.095 1
1 422 . 13 1 1 A 32 32 LEU C C 32 178.900 178.441 0.459 1
1 423 . 13 1 1 A 32 32 LEU CA C 32 57.000 57.826 -0.826 1
1 424 . 13 1 1 A 32 32 LEU CB C 32 41.300 41.484 -0.184 1
1 428 . 13 1 1 A 32 32 LEU N N 32 123.000 120.652 2.348 1
1 429 . 13 1 1 A 33 33 ALA H H 33 8.930 8.705 0.225 1
1 430 . 13 1 1 A 33 33 ALA HA H 33 3.730 4.151 -0.421 1
1 434 . 13 1 1 A 33 33 ALA C C 33 179.800 179.949 -0.149 1
1 435 . 13 1 1 A 33 33 ALA CA C 33 55.900 55.308 0.592 1
1 436 . 13 1 1 A 33 33 ALA CB C 33 19.100 18.301 0.799 1
1 437 . 13 1 1 A 33 33 ALA N N 33 122.700 120.813 1.887 1
1 438 . 13 1 1 A 34 34 LEU H H 34 8.420 8.322 0.098 1
1 439 . 13 1 1 A 34 34 LEU HA H 34 4.010 3.888 0.122 1
1 449 . 13 1 1 A 34 34 LEU C C 34 179.700 178.955 0.745 1
1 450 . 13 1 1 A 34 34 LEU CA C 34 58.200 57.962 0.238 1
1 451 . 13 1 1 A 34 34 LEU CB C 34 41.200 41.681 -0.481 1
1 455 . 13 1 1 A 34 34 LEU N N 34 115.800 118.037 -2.237 1
1 456 . 13 1 1 A 35 35 MET H H 35 7.730 8.376 -0.646 1
1 457 . 13 1 1 A 35 35 MET HA H 35 4.240 4.131 0.109 1
1 465 . 13 1 1 A 35 35 MET C C 35 179.500 178.141 1.359 1
1 466 . 13 1 1 A 35 35 MET CA C 35 59.300 58.582 0.718 1
1 467 . 13 1 1 A 35 35 MET CB C 35 32.900 32.068 0.832 1
1 470 . 13 1 1 A 35 35 MET N N 35 121.400 118.408 2.992 1
1 471 . 13 1 1 A 36 36 CYS H H 36 8.420 8.343 0.077 1
1 472 . 13 1 1 A 36 36 CYS HA H 36 3.950 4.104 -0.154 1
1 475 . 13 1 1 A 36 36 CYS C C 36 177.000 177.165 -0.165 1
1 476 . 13 1 1 A 36 36 CYS CA C 36 64.200 63.629 0.571 1
1 477 . 13 1 1 A 36 36 CYS CB C 36 27.200 27.854 -0.654 1
1 478 . 13 1 1 A 36 36 CYS N N 36 118.600 117.729 0.871 1
1 479 . 13 1 1 A 37 37 LEU H H 37 9.020 8.742 0.278 1
1 480 . 13 1 1 A 37 37 LEU HA H 37 3.940 3.979 -0.039 1
1 490 . 13 1 1 A 37 37 LEU C C 37 179.100 179.274 -0.174 1
1 491 . 13 1 1 A 37 37 LEU CA C 37 58.300 58.688 -0.388 1
1 492 . 13 1 1 A 37 37 LEU CB C 37 42.200 42.027 0.173 1
1 496 . 13 1 1 A 37 37 LEU N N 37 119.600 120.883 -1.283 1
1 497 . 13 1 1 A 38 38 GLY H H 38 8.940 8.822 0.118 1
1 498 . 13 1 1 A 38 38 GLY HA2 H 38 3.610 3.768 -0.158 1
1 499 . 13 1 1 A 38 38 GLY HA3 H 38 3.970 3.770 0.200 1
1 500 . 13 1 1 A 38 38 GLY C C 38 179.800 176.164 3.636 1
1 501 . 13 1 1 A 38 38 GLY CA C 38 47.900 47.450 0.450 1
1 502 . 13 1 1 A 38 38 GLY N N 38 106.600 105.869 0.731 1
1 503 . 13 1 1 A 39 39 ASN H H 39 7.790 7.480 0.310 1
1 504 . 13 1 1 A 39 39 ASN HA H 39 4.440 4.453 -0.013 1
1 509 . 13 1 1 A 39 39 ASN C C 39 178.000 177.790 0.210 1
1 510 . 13 1 1 A 39 39 ASN CA C 39 56.300 56.212 0.088 1
1 511 . 13 1 1 A 39 39 ASN CB C 39 39.500 38.222 1.278 1
1 513 . 13 1 1 A 39 39 ASN N N 39 120.900 120.352 0.548 1
1 515 . 13 1 1 A 40 40 ALA H H 40 8.260 7.758 0.502 1
1 516 . 13 1 1 A 40 40 ALA HA H 40 3.970 4.078 -0.108 1
1 520 . 13 1 1 A 40 40 ALA C C 40 178.200 179.718 -1.518 1
1 521 . 13 1 1 A 40 40 ALA CA C 40 55.900 55.149 0.751 1
1 522 . 13 1 1 A 40 40 ALA CB C 40 17.200 18.371 -1.171 1
1 523 . 13 1 1 A 40 40 ALA N N 40 123.900 123.042 0.858 1
1 524 . 13 1 1 A 41 41 VAL H H 41 8.410 8.511 -0.101 1
1 525 . 13 1 1 A 41 41 VAL HA H 41 3.180 3.387 -0.207 1
1 533 . 13 1 1 A 41 41 VAL C C 41 177.800 178.513 -0.713 1
1 534 . 13 1 1 A 41 41 VAL CA C 41 67.000 67.240 -0.240 1
1 535 . 13 1 1 A 41 41 VAL CB C 41 30.900 31.529 -0.629 1
1 538 . 13 1 1 A 41 41 VAL N N 41 116.900 117.694 -0.794 1
1 539 . 13 1 1 A 42 42 THR H H 42 8.210 8.095 0.115 1
1 540 . 13 1 1 A 42 42 THR HA H 42 3.430 3.782 -0.352 1
1 545 . 13 1 1 A 42 42 THR C C 42 175.900 176.200 -0.300 1
1 546 . 13 1 1 A 42 42 THR CA C 42 67.500 66.889 0.611 1
1 547 . 13 1 1 A 42 42 THR CB C 42 68.000 68.385 -0.385 1
1 549 . 13 1 1 A 42 42 THR N N 42 114.800 115.664 -0.864 1
1 550 . 13 1 1 A 43 43 ASN H H 43 7.600 8.214 -0.614 1
1 551 . 13 1 1 A 43 43 ASN HA H 43 4.170 4.431 -0.261 1
1 556 . 13 1 1 A 43 43 ASN C C 43 177.300 177.590 -0.290 1
1 557 . 13 1 1 A 43 43 ASN CA C 43 57.000 56.445 0.555 1
1 558 . 13 1 1 A 43 43 ASN CB C 43 39.400 38.764 0.636 1
1 560 . 13 1 1 A 43 43 ASN N N 43 120.300 119.029 1.271 1
1 562 . 13 1 1 A 44 44 ILE H H 44 7.630 7.670 -0.040 1
1 563 . 13 1 1 A 44 44 ILE HA H 44 3.770 3.699 0.071 1
1 573 . 13 1 1 A 44 44 ILE C C 44 179.200 178.355 0.845 1
1 574 . 13 1 1 A 44 44 ILE CA C 44 62.100 64.672 -2.572 1
1 575 . 13 1 1 A 44 44 ILE CB C 44 35.700 37.987 -2.287 1
1 579 . 13 1 1 A 44 44 ILE N N 44 119.700 119.175 0.525 1
1 580 . 13 1 1 A 45 45 ILE H H 45 8.460 8.449 0.011 1
1 581 . 13 1 1 A 45 45 ILE HA H 45 3.550 3.732 -0.182 1
1 591 . 13 1 1 A 45 45 ILE C C 45 177.100 178.782 -1.682 1
1 592 . 13 1 1 A 45 45 ILE CA C 45 65.100 64.845 0.255 1
1 593 . 13 1 1 A 45 45 ILE CB C 45 36.600 36.817 -0.217 1
1 597 . 13 1 1 A 45 45 ILE N N 45 120.300 120.234 0.066 1
1 598 . 13 1 1 A 46 46 ALA H H 46 7.750 7.786 -0.036 1
1 599 . 13 1 1 A 46 46 ALA HA H 46 3.950 4.089 -0.139 1
1 603 . 13 1 1 A 46 46 ALA C C 46 178.000 178.375 -0.375 1
1 604 . 13 1 1 A 46 46 ALA CA C 46 54.000 54.499 -0.499 1
1 605 . 13 1 1 A 46 46 ALA CB C 46 17.900 18.140 -0.240 1
1 606 . 13 1 1 A 46 46 ALA N N 46 120.000 123.051 -3.051 1
1 607 . 13 1 1 A 47 47 GLN H H 47 7.610 7.587 0.023 1
1 608 . 13 1 1 A 47 47 GLN HA H 47 4.190 4.361 -0.171 1
1 615 . 13 1 1 A 47 47 GLN C C 47 177.100 176.178 0.922 1
1 616 . 13 1 1 A 47 47 GLN CA C 47 56.000 56.127 -0.127 1
1 617 . 13 1 1 A 47 47 GLN CB C 47 29.000 29.635 -0.635 1
1 620 . 13 1 1 A 47 47 GLN N N 47 114.000 115.009 -1.009 1
1 622 . 13 1 1 A 48 48 VAL H H 48 7.740 7.472 0.268 1
1 623 . 13 1 1 A 48 48 VAL HA H 48 4.390 4.161 0.229 1
1 631 . 13 1 1 A 48 48 VAL CA C 48 59.900 60.554 -0.654 1
1 632 . 13 1 1 A 48 48 VAL CB C 48 31.900 32.270 -0.370 1
1 635 . 13 1 1 A 48 48 VAL N N 48 122.400 122.293 0.107 1
1 636 . 13 1 1 A 49 49 PRO HA H 49 4.340 4.489 -0.149 1
1 643 . 13 1 1 A 49 49 PRO C C 49 177.700 177.817 -0.117 1
1 644 . 13 1 1 A 49 49 PRO CA C 49 63.700 63.572 0.128 1
1 645 . 13 1 1 A 49 49 PRO CB C 49 32.300 32.492 -0.192 1
1 648 . 13 1 1 A 50 50 GLU H H 50 8.960 8.980 -0.020 1
1 649 . 13 1 1 A 50 50 GLU HA H 50 3.580 4.012 -0.432 1
1 654 . 13 1 1 A 50 50 GLU C C 50 178.300 178.388 -0.088 1
1 655 . 13 1 1 A 50 50 GLU CA C 50 60.800 59.521 1.279 1
1 656 . 13 1 1 A 50 50 GLU CB C 50 29.900 29.201 0.699 1
1 658 . 13 1 1 A 50 50 GLU N N 50 124.400 125.170 -0.770 1
1 659 . 13 1 1 A 51 51 SER H H 51 8.640 8.062 0.578 1
1 660 . 13 1 1 A 51 51 SER HA H 51 4.240 4.292 -0.052 1
1 663 . 13 1 1 A 51 51 SER C C 51 175.200 175.503 -0.303 1
1 664 . 13 1 1 A 51 51 SER CA C 51 60.600 61.807 -1.207 1
1 665 . 13 1 1 A 51 51 SER CB C 51 62.600 63.181 -0.581 1
1 666 . 13 1 1 A 51 51 SER N N 51 112.000 117.354 -5.354 1
1 667 . 13 1 1 A 52 52 LYS H H 52 7.950 8.040 -0.090 1
1 668 . 13 1 1 A 52 52 LYS HA H 52 4.650 4.516 0.134 1
1 677 . 13 1 1 A 52 52 LYS C C 52 176.700 178.174 -1.474 1
1 678 . 13 1 1 A 52 52 LYS CA C 52 55.500 56.502 -1.002 1
1 679 . 13 1 1 A 52 52 LYS CB C 52 34.000 32.722 1.278 1
1 683 . 13 1 1 A 52 52 LYS N N 52 119.600 117.682 1.918 1
1 684 . 13 1 1 A 53 53 ARG H H 53 7.290 7.502 -0.212 1
1 685 . 13 1 1 A 53 53 ARG HA H 53 3.530 4.071 -0.541 1
1 695 . 13 1 1 A 53 53 ARG C C 53 177.300 178.724 -1.424 1
1 696 . 13 1 1 A 53 53 ARG CA C 53 61.700 58.669 3.031 1
1 697 . 13 1 1 A 53 53 ARG CB C 53 30.800 29.931 0.869 1
1 700 . 13 1 1 A 53 53 ARG N N 53 119.000 120.883 -1.883 1
1 702 . 13 1 1 A 54 54 VAL H H 54 8.440 7.534 0.906 1
1 703 . 13 1 1 A 54 54 VAL HA H 54 3.460 3.604 -0.144 1
1 711 . 13 1 1 A 54 54 VAL C C 54 177.400 177.822 -0.422 1
1 712 . 13 1 1 A 54 54 VAL CA C 54 67.200 66.319 0.881 1
1 713 . 13 1 1 A 54 54 VAL CB C 54 31.000 31.381 -0.381 1
1 716 . 13 1 1 A 54 54 VAL N N 54 118.400 119.831 -1.431 1
1 717 . 13 1 1 A 55 55 ALA H H 55 8.120 8.045 0.075 1
1 718 . 13 1 1 A 55 55 ALA HA H 55 4.180 4.083 0.097 1
1 722 . 13 1 1 A 55 55 ALA C C 55 180.700 179.643 1.057 1
1 723 . 13 1 1 A 55 55 ALA CA C 55 55.000 55.427 -0.427 1
1 724 . 13 1 1 A 55 55 ALA CB C 55 17.900 18.417 -0.517 1
1 725 . 13 1 1 A 55 55 ALA N N 55 122.300 122.325 -0.025 1
1 726 . 13 1 1 A 56 56 VAL H H 56 8.040 8.066 -0.026 1
1 727 . 13 1 1 A 56 56 VAL HA H 56 3.780 3.804 -0.024 1
1 735 . 13 1 1 A 56 56 VAL C C 56 179.400 178.096 1.304 1
1 736 . 13 1 1 A 56 56 VAL CA C 56 66.700 65.493 1.207 1
1 737 . 13 1 1 A 56 56 VAL CB C 56 31.400 31.622 -0.222 1
1 740 . 13 1 1 A 56 56 VAL N N 56 117.900 116.432 1.468 1
1 741 . 13 1 1 A 57 57 VAL H H 57 8.510 7.623 0.887 1
1 742 . 13 1 1 A 57 57 VAL HA H 57 3.760 3.807 -0.047 1
1 750 . 13 1 1 A 57 57 VAL C C 57 177.900 177.206 0.694 1
1 751 . 13 1 1 A 57 57 VAL CA C 57 66.700 65.268 1.432 1
1 752 . 13 1 1 A 57 57 VAL CB C 57 31.400 31.443 -0.043 1
1 755 . 13 1 1 A 57 57 VAL N N 57 121.600 122.453 -0.853 1
1 756 . 13 1 1 A 58 58 ASP H H 58 8.800 8.053 0.747 1
1 757 . 13 1 1 A 58 58 ASP HA H 58 4.420 4.470 -0.050 1
1 760 . 13 1 1 A 58 58 ASP C C 58 178.500 178.670 -0.170 1
1 761 . 13 1 1 A 58 58 ASP CA C 58 57.800 57.204 0.596 1
1 762 . 13 1 1 A 58 58 ASP CB C 58 40.000 40.761 -0.761 1
1 763 . 13 1 1 A 58 58 ASP N N 58 124.800 122.969 1.831 1
1 764 . 13 1 1 A 59 59 ASN H H 59 8.500 8.258 0.242 1
1 765 . 13 1 1 A 59 59 ASN HA H 59 4.460 4.463 -0.003 1
1 770 . 13 1 1 A 59 59 ASN C C 59 177.700 177.883 -0.183 1
1 771 . 13 1 1 A 59 59 ASN CA C 59 56.500 56.291 0.209 1
1 772 . 13 1 1 A 59 59 ASN CB C 59 38.300 37.826 0.474 1
1 774 . 13 1 1 A 59 59 ASN N N 59 118.800 117.731 1.069 1
1 776 . 13 1 1 A 60 60 PHE H H 60 8.540 8.266 0.274 1
1 777 . 13 1 1 A 60 60 PHE HA H 60 4.210 4.109 0.101 1
1 785 . 13 1 1 A 60 60 PHE C C 60 177.700 177.515 0.185 1
1 786 . 13 1 1 A 60 60 PHE CA C 60 61.600 61.591 0.009 1
1 787 . 13 1 1 A 60 60 PHE CB C 60 39.800 39.193 0.607 1
1 793 . 13 1 1 A 60 60 PHE N N 60 121.800 122.604 -0.804 1
1 794 . 13 1 1 A 61 61 THR H H 61 8.820 8.627 0.193 1
1 795 . 13 1 1 A 61 61 THR HA H 61 3.820 4.101 -0.281 1
1 801 . 13 1 1 A 61 61 THR C C 61 176.700 176.652 0.048 1
1 802 . 13 1 1 A 61 61 THR CA C 61 66.200 66.369 -0.169 1
1 803 . 13 1 1 A 61 61 THR CB C 61 68.400 68.738 -0.338 1
1 805 . 13 1 1 A 61 61 THR N N 61 112.200 111.514 0.686 1
1 806 . 13 1 1 A 62 62 LYS H H 62 8.190 7.858 0.332 1
1 807 . 13 1 1 A 62 62 LYS HA H 62 4.010 4.034 -0.024 1
1 816 . 13 1 1 A 62 62 LYS C C 62 179.100 178.379 0.721 1
1 817 . 13 1 1 A 62 62 LYS CA C 62 60.100 59.445 0.655 1
1 818 . 13 1 1 A 62 62 LYS CB C 62 32.500 32.342 0.158 1
1 822 . 13 1 1 A 62 62 LYS N N 62 124.000 122.045 1.955 1
1 823 . 13 1 1 A 63 63 ALA H H 63 7.800 8.137 -0.337 1
1 824 . 13 1 1 A 63 63 ALA HA H 63 4.070 4.006 0.064 1
1 828 . 13 1 1 A 63 63 ALA C C 63 180.400 180.049 0.351 1
1 829 . 13 1 1 A 63 63 ALA CA C 63 54.700 54.941 -0.241 1
1 830 . 13 1 1 A 63 63 ALA CB C 63 17.800 17.965 -0.165 1
1 831 . 13 1 1 A 63 63 ALA N N 63 121.500 120.881 0.619 1
1 832 . 13 1 1 A 64 64 LEU H H 64 7.850 7.953 -0.103 1
1 833 . 13 1 1 A 64 64 LEU HA H 64 3.900 3.832 0.068 1
1 843 . 13 1 1 A 64 64 LEU C C 64 178.600 179.024 -0.424 1
1 844 . 13 1 1 A 64 64 LEU CA C 64 57.300 58.116 -0.816 1
1 845 . 13 1 1 A 64 64 LEU CB C 64 41.900 41.830 0.070 1
1 849 . 13 1 1 A 64 64 LEU N N 64 120.100 118.843 1.257 1
1 850 . 13 1 1 A 65 65 LYS H H 65 7.970 7.869 0.101 1
1 851 . 13 1 1 A 65 65 LYS HA H 65 3.730 3.816 -0.086 1
1 860 . 13 1 1 A 65 65 LYS C C 65 178.300 179.680 -1.380 1
1 861 . 13 1 1 A 65 65 LYS CA C 65 60.400 60.435 -0.035 1
1 862 . 13 1 1 A 65 65 LYS CB C 65 31.900 32.217 -0.317 1
1 866 . 13 1 1 A 65 65 LYS N N 65 118.100 117.320 0.780 1
1 867 . 13 1 1 A 66 66 GLN H H 66 7.820 8.162 -0.342 1
1 868 . 13 1 1 A 66 66 GLN HA H 66 3.950 4.110 -0.160 1
1 875 . 13 1 1 A 66 66 GLN C C 66 178.000 177.463 0.537 1
1 876 . 13 1 1 A 66 66 GLN CA C 66 58.700 58.505 0.195 1
1 877 . 13 1 1 A 66 66 GLN CB C 66 28.200 27.930 0.270 1
1 880 . 13 1 1 A 66 66 GLN N N 66 116.800 118.424 -1.624 1
1 882 . 13 1 1 A 67 67 SER H H 67 8.060 7.785 0.275 1
1 883 . 13 1 1 A 67 67 SER HA H 67 4.150 4.393 -0.243 1
1 886 . 13 1 1 A 67 67 SER C C 67 176.900 175.447 1.453 1
1 887 . 13 1 1 A 67 67 SER CA C 67 61.500 60.673 0.827 1
1 888 . 13 1 1 A 67 67 SER CB C 67 63.000 63.448 -0.448 1
1 889 . 13 1 1 A 67 67 SER N N 67 114.200 117.226 -3.026 1
1 890 . 13 1 1 A 68 68 VAL H H 68 7.860 7.580 0.280 1
1 891 . 13 1 1 A 68 68 VAL HA H 68 3.850 3.919 -0.069 1
1 899 . 13 1 1 A 68 68 VAL C C 68 177.600 178.276 -0.676 1
1 900 . 13 1 1 A 68 68 VAL CA C 68 64.900 65.451 -0.551 1
1 901 . 13 1 1 A 68 68 VAL CB C 68 32.000 31.896 0.104 1
1 904 . 13 1 1 A 68 68 VAL N N 68 119.300 121.006 -1.706 1
1 905 . 13 1 1 A 69 69 LEU H H 69 7.880 8.254 -0.374 1
1 906 . 13 1 1 A 69 69 LEU HA H 69 4.150 4.048 0.102 1
1 916 . 13 1 1 A 69 69 LEU C C 69 178.400 177.993 0.407 1
1 917 . 13 1 1 A 69 69 LEU CA C 69 56.500 57.979 -1.479 1
1 918 . 13 1 1 A 69 69 LEU CB C 69 41.800 41.239 0.561 1
1 922 . 13 1 1 A 69 69 LEU N N 69 119.800 120.067 -0.267 1
1 923 . 13 1 1 A 70 70 GLU H H 70 7.820 7.181 0.639 1
1 924 . 13 1 1 A 70 70 GLU HA H 70 4.130 4.529 -0.399 1
1 929 . 13 1 1 A 70 70 GLU C C 70 176.700 176.536 0.164 1
1 930 . 13 1 1 A 70 70 GLU CA C 70 56.900 56.101 0.799 1
1 931 . 13 1 1 A 70 70 GLU CB C 70 29.800 30.194 -0.394 1
1 933 . 13 1 1 A 70 70 GLU N N 70 118.000 115.531 2.469 1
1 934 . 13 1 1 A 71 71 HIS H H 71 7.950 7.804 0.146 1
1 935 . 13 1 1 A 71 71 HIS HA H 71 4.460 4.698 -0.238 1
1 938 . 13 1 1 A 71 71 HIS C C 71 174.700 174.189 0.511 1
1 939 . 13 1 1 A 71 71 HIS CA C 71 56.300 54.032 2.268 1
1 940 . 13 1 1 A 71 71 HIS CB C 71 28.800 28.319 0.481 1
1 941 . 13 1 1 A 71 71 HIS N N 71 117.800 121.298 -3.498 1
1 942 . 13 1 1 A 72 72 HIS H H 72 8.260 8.519 -0.259 1
1 943 . 13 1 1 A 72 72 HIS HA H 72 4.590 4.631 -0.041 1
1 946 . 13 1 1 A 72 72 HIS C C 72 174.500 174.731 -0.231 1
1 947 . 13 1 1 A 72 72 HIS CA C 72 55.700 57.071 -1.371 1
1 948 . 13 1 1 A 72 72 HIS CB C 72 29.600 31.147 -1.547 1
1 949 . 13 1 1 A 72 72 HIS N N 72 119.100 124.399 -5.299 1
1 950 . 13 1 1 A 73 73 HIS H H 73 8.420 7.655 0.765 1
1 951 . 13 1 1 A 73 73 HIS HA H 73 4.580 5.118 -0.538 1
1 954 . 13 1 1 A 73 73 HIS C C 73 174.400 174.212 0.188 1
1 955 . 13 1 1 A 73 73 HIS CA C 73 55.500 54.702 0.798 1
1 956 . 13 1 1 A 73 73 HIS CB C 73 29.600 33.949 -4.349 1
1 957 . 13 1 1 A 73 73 HIS N N 73 119.700 113.469 6.231 1
1 958 . 13 1 1 A 74 74 HIS H H 74 8.470 9.078 -0.608 1
1 959 . 13 1 1 A 74 74 HIS HA H 74 4.570 5.055 -0.485 1
1 962 . 13 1 1 A 74 74 HIS C C 74 173.600 174.098 -0.498 1
1 963 . 13 1 1 A 74 74 HIS CA C 74 55.600 54.316 1.284 1
1 964 . 13 1 1 A 74 74 HIS CB C 74 29.500 30.556 -1.056 1
1 965 . 13 1 1 A 74 74 HIS N N 74 120.500 118.226 2.274 1
1 966 . 13 1 1 A 75 75 HIS H H 75 8.290 8.861 -0.571 1
1 967 . 13 1 1 A 75 75 HIS HA H 75 4.400 4.768 -0.368 1
1 970 . 13 1 1 A 75 75 HIS CA C 75 57.100 55.324 1.776 1
1 971 . 13 1 1 A 75 75 HIS CB C 75 29.700 29.971 -0.271 1
1 1 . 14 1 1 A 2 2 PRO HA H 2 4.400 4.515 -0.115 1
1 8 . 14 1 1 A 2 2 PRO C C 2 172.300 175.867 -3.567 1
1 9 . 14 1 1 A 2 2 PRO CA C 2 62.200 63.076 -0.876 1
1 10 . 14 1 1 A 2 2 PRO CB C 2 32.600 31.852 0.748 1
1 13 . 14 1 1 A 3 3 ILE H H 3 8.630 8.602 0.028 1
1 14 . 14 1 1 A 3 3 ILE HA H 3 4.190 4.528 -0.338 1
1 24 . 14 1 1 A 3 3 ILE C C 3 176.100 174.947 1.153 1
1 25 . 14 1 1 A 3 3 ILE CA C 3 61.500 60.491 1.009 1
1 26 . 14 1 1 A 3 3 ILE CB C 3 38.600 39.167 -0.567 1
1 30 . 14 1 1 A 3 3 ILE N N 3 120.700 124.896 -4.196 1
1 31 . 14 1 1 A 4 4 VAL H H 4 8.380 8.474 -0.094 1
1 32 . 14 1 1 A 4 4 VAL HA H 4 4.140 4.603 -0.463 1
1 40 . 14 1 1 A 4 4 VAL C C 4 175.800 174.802 0.998 1
1 41 . 14 1 1 A 4 4 VAL CA C 4 62.100 59.304 2.796 1
1 42 . 14 1 1 A 4 4 VAL CB C 4 32.800 35.285 -2.485 1
1 45 . 14 1 1 A 4 4 VAL N N 4 125.500 121.203 4.297 1
1 46 . 14 1 1 A 5 5 SER H H 5 8.450 8.527 -0.077 1
1 47 . 14 1 1 A 5 5 SER HA H 5 4.420 3.502 0.918 1
1 50 . 14 1 1 A 5 5 SER C C 5 174.300 174.015 0.285 1
1 51 . 14 1 1 A 5 5 SER CA C 5 57.900 58.446 -0.546 1
1 52 . 14 1 1 A 5 5 SER CB C 5 64.000 61.489 2.511 1
1 53 . 14 1 1 A 5 5 SER N N 5 120.500 115.108 5.392 1
1 54 . 14 1 1 A 6 6 LYS H H 6 8.330 7.511 0.819 1
1 55 . 14 1 1 A 6 6 LYS HA H 6 4.150 4.144 0.006 1
1 64 . 14 1 1 A 6 6 LYS C C 6 176.000 175.867 0.133 1
1 65 . 14 1 1 A 6 6 LYS CA C 6 56.800 57.936 -1.136 1
1 66 . 14 1 1 A 6 6 LYS CB C 6 33.000 33.475 -0.475 1
1 70 . 14 1 1 A 6 6 LYS N N 6 123.400 124.071 -0.671 1
1 71 . 14 1 1 A 7 7 TYR H H 7 8.150 6.711 1.439 1
1 72 . 14 1 1 A 7 7 TYR HA H 7 4.640 4.820 -0.180 1
1 79 . 14 1 1 A 7 7 TYR C C 7 175.400 174.227 1.173 1
1 80 . 14 1 1 A 7 7 TYR CA C 7 56.700 55.693 1.007 1
1 81 . 14 1 1 A 7 7 TYR CB C 7 39.300 40.832 -1.532 1
1 86 . 14 1 1 A 7 7 TYR N N 7 120.000 116.397 3.603 1
1 87 . 14 1 1 A 8 8 SER H H 8 8.360 8.543 -0.183 1
1 88 . 14 1 1 A 8 8 SER HA H 8 4.400 4.845 -0.445 1
1 91 . 14 1 1 A 8 8 SER C C 8 174.700 175.133 -0.433 1
1 92 . 14 1 1 A 8 8 SER CA C 8 57.600 56.252 1.348 1
1 93 . 14 1 1 A 8 8 SER CB C 8 64.000 65.252 -1.252 1
1 94 . 14 1 1 A 8 8 SER N N 8 118.100 117.851 0.249 1
1 95 . 14 1 1 A 9 9 ASN H H 9 8.900 9.110 -0.210 1
1 96 . 14 1 1 A 9 9 ASN HA H 9 4.400 4.401 -0.001 1
1 101 . 14 1 1 A 9 9 ASN C C 9 176.800 177.033 -0.233 1
1 102 . 14 1 1 A 9 9 ASN CA C 9 55.900 57.003 -1.103 1
1 103 . 14 1 1 A 9 9 ASN CB C 9 38.300 38.800 -0.500 1
1 105 . 14 1 1 A 9 9 ASN N N 9 122.300 125.107 -2.807 1
1 107 . 14 1 1 A 10 10 GLU H H 10 8.740 8.274 0.466 1
1 108 . 14 1 1 A 10 10 GLU HA H 10 4.000 4.112 -0.112 1
1 113 . 14 1 1 A 10 10 GLU C C 10 178.500 179.334 -0.834 1
1 114 . 14 1 1 A 10 10 GLU CA C 10 59.900 59.163 0.737 1
1 115 . 14 1 1 A 10 10 GLU CB C 10 29.000 29.261 -0.261 1
1 117 . 14 1 1 A 10 10 GLU N N 10 119.000 118.388 0.612 1
1 118 . 14 1 1 A 11 11 ARG H H 11 7.750 7.994 -0.244 1
1 119 . 14 1 1 A 11 11 ARG HA H 11 4.070 4.191 -0.121 1
1 127 . 14 1 1 A 11 11 ARG C C 11 178.000 178.684 -0.684 1
1 128 . 14 1 1 A 11 11 ARG CA C 11 58.800 58.675 0.125 1
1 129 . 14 1 1 A 11 11 ARG CB C 11 30.100 30.040 0.060 1
1 132 . 14 1 1 A 11 11 ARG N N 11 121.500 121.052 0.448 1
1 134 . 14 1 1 A 12 12 VAL H H 12 7.830 8.185 -0.355 1
1 135 . 14 1 1 A 12 12 VAL HA H 12 3.420 3.536 -0.116 1
1 143 . 14 1 1 A 12 12 VAL C C 12 177.400 177.752 -0.352 1
1 144 . 14 1 1 A 12 12 VAL CA C 12 67.000 67.002 -0.002 1
1 145 . 14 1 1 A 12 12 VAL CB C 12 32.100 31.590 0.510 1
1 148 . 14 1 1 A 12 12 VAL N N 12 118.800 119.667 -0.867 1
1 149 . 14 1 1 A 13 13 GLU H H 13 8.220 8.506 -0.286 1
1 150 . 14 1 1 A 13 13 GLU HA H 13 3.890 3.952 -0.062 1
1 155 . 14 1 1 A 13 13 GLU C C 13 178.900 179.217 -0.317 1
1 156 . 14 1 1 A 13 13 GLU CA C 13 59.500 59.751 -0.251 1
1 157 . 14 1 1 A 13 13 GLU CB C 13 29.000 29.493 -0.493 1
1 159 . 14 1 1 A 13 13 GLU N N 13 116.800 118.120 -1.320 1
1 160 . 14 1 1 A 14 14 LYS H H 14 7.600 7.801 -0.201 1
1 161 . 14 1 1 A 14 14 LYS HA H 14 4.030 4.035 -0.005 1
1 170 . 14 1 1 A 14 14 LYS C C 14 177.700 178.747 -1.047 1
1 171 . 14 1 1 A 14 14 LYS CA C 14 59.100 59.566 -0.466 1
1 172 . 14 1 1 A 14 14 LYS CB C 14 32.100 32.447 -0.347 1
1 176 . 14 1 1 A 14 14 LYS N N 14 120.400 121.009 -0.609 1
1 177 . 14 1 1 A 15 15 ILE H H 15 7.830 8.049 -0.219 1
1 178 . 14 1 1 A 15 15 ILE HA H 15 3.630 3.621 0.009 1
1 188 . 14 1 1 A 15 15 ILE C C 15 178.200 178.317 -0.117 1
1 189 . 14 1 1 A 15 15 ILE CA C 15 65.700 65.716 -0.016 1
1 190 . 14 1 1 A 15 15 ILE CB C 15 37.500 37.923 -0.423 1
1 194 . 14 1 1 A 15 15 ILE N N 15 119.700 118.847 0.853 1
1 195 . 14 1 1 A 16 16 ILE H H 16 8.080 8.203 -0.123 1
1 196 . 14 1 1 A 16 16 ILE HA H 16 3.360 3.506 -0.146 1
1 206 . 14 1 1 A 16 16 ILE C C 16 177.500 178.175 -0.675 1
1 207 . 14 1 1 A 16 16 ILE CA C 16 66.600 65.583 1.017 1
1 208 . 14 1 1 A 16 16 ILE CB C 16 38.300 37.822 0.478 1
1 212 . 14 1 1 A 16 16 ILE N N 16 117.900 121.083 -3.183 1
1 213 . 14 1 1 A 17 17 GLN H H 17 8.010 8.264 -0.254 1
1 214 . 14 1 1 A 17 17 GLN HA H 17 3.830 3.929 -0.099 1
1 221 . 14 1 1 A 17 17 GLN C C 17 178.000 177.425 0.575 1
1 222 . 14 1 1 A 17 17 GLN CA C 17 58.400 58.998 -0.598 1
1 223 . 14 1 1 A 17 17 GLN CB C 17 28.100 28.276 -0.176 1
1 225 . 14 1 1 A 17 17 GLN N N 17 117.900 120.120 -2.220 1
1 227 . 14 1 1 A 18 18 ASP H H 18 8.710 8.279 0.431 1
1 228 . 14 1 1 A 18 18 ASP HA H 18 4.400 4.417 -0.017 1
1 231 . 14 1 1 A 18 18 ASP C C 18 179.800 178.837 0.963 1
1 232 . 14 1 1 A 18 18 ASP CA C 18 57.400 57.039 0.361 1
1 233 . 14 1 1 A 18 18 ASP CB C 18 39.900 41.125 -1.225 1
1 234 . 14 1 1 A 18 18 ASP N N 18 121.000 120.165 0.835 1
1 235 . 14 1 1 A 19 19 LEU H H 19 8.260 8.258 0.002 1
1 236 . 14 1 1 A 19 19 LEU HA H 19 4.010 4.048 -0.038 1
1 246 . 14 1 1 A 19 19 LEU C C 19 178.200 179.415 -1.215 1
1 247 . 14 1 1 A 19 19 LEU CA C 19 58.100 58.170 -0.070 1
1 248 . 14 1 1 A 19 19 LEU CB C 19 42.400 41.805 0.595 1
1 252 . 14 1 1 A 19 19 LEU N N 19 120.800 119.900 0.900 1
1 253 . 14 1 1 A 20 20 LEU H H 20 8.160 8.503 -0.343 1
1 254 . 14 1 1 A 20 20 LEU HA H 20 3.940 3.997 -0.057 1
1 264 . 14 1 1 A 20 20 LEU C C 20 180.100 179.194 0.906 1
1 265 . 14 1 1 A 20 20 LEU CA C 20 57.900 57.461 0.439 1
1 266 . 14 1 1 A 20 20 LEU CB C 20 40.800 40.695 0.105 1
1 270 . 14 1 1 A 20 20 LEU N N 20 117.300 118.238 -0.938 1
1 271 . 14 1 1 A 21 21 ASP H H 21 9.000 8.410 0.590 1
1 272 . 14 1 1 A 21 21 ASP HA H 21 4.420 4.398 0.022 1
1 275 . 14 1 1 A 21 21 ASP C C 21 179.000 178.712 0.288 1
1 276 . 14 1 1 A 21 21 ASP CA C 21 57.300 57.669 -0.369 1
1 277 . 14 1 1 A 21 21 ASP CB C 21 40.500 40.918 -0.418 1
1 278 . 14 1 1 A 21 21 ASP N N 21 120.000 120.064 -0.064 1
1 279 . 14 1 1 A 22 22 VAL H H 22 7.370 7.881 -0.511 1
1 280 . 14 1 1 A 22 22 VAL HA H 22 3.600 3.640 -0.040 1
1 288 . 14 1 1 A 22 22 VAL C C 22 177.700 178.412 -0.712 1
1 289 . 14 1 1 A 22 22 VAL CA C 22 66.300 66.481 -0.181 1
1 290 . 14 1 1 A 22 22 VAL CB C 22 32.000 31.422 0.578 1
1 293 . 14 1 1 A 22 22 VAL N N 22 119.800 120.098 -0.298 1
1 294 . 14 1 1 A 23 23 LEU H H 23 6.880 7.728 -0.848 1
1 295 . 14 1 1 A 23 23 LEU HA H 23 3.880 4.101 -0.221 1
1 305 . 14 1 1 A 23 23 LEU C C 23 179.100 178.296 0.804 1
1 306 . 14 1 1 A 23 23 LEU CA C 23 57.100 57.648 -0.548 1
1 307 . 14 1 1 A 23 23 LEU CB C 23 40.600 41.599 -0.999 1
1 311 . 14 1 1 A 23 23 LEU N N 23 116.500 119.563 -3.063 1
1 312 . 14 1 1 A 24 24 VAL H H 24 8.430 7.786 0.644 1
1 313 . 14 1 1 A 24 24 VAL HA H 24 3.780 3.934 -0.154 1
1 321 . 14 1 1 A 24 24 VAL C C 24 180.800 177.706 3.094 1
1 322 . 14 1 1 A 24 24 VAL CA C 24 65.900 64.390 1.510 1
1 323 . 14 1 1 A 24 24 VAL CB C 24 32.200 31.559 0.641 1
1 326 . 14 1 1 A 24 24 VAL N N 24 120.300 118.661 1.639 1
1 327 . 14 1 1 A 25 25 LYS H H 25 8.380 8.321 0.059 1
1 328 . 14 1 1 A 25 25 LYS HA H 25 4.030 3.920 0.110 1
1 337 . 14 1 1 A 25 25 LYS C C 25 178.500 178.300 0.200 1
1 338 . 14 1 1 A 25 25 LYS CA C 25 59.400 60.145 -0.745 1
1 339 . 14 1 1 A 25 25 LYS CB C 25 32.300 32.099 0.201 1
1 343 . 14 1 1 A 25 25 LYS N N 25 121.900 121.706 0.194 1
1 344 . 14 1 1 A 26 26 GLU H H 26 7.360 7.611 -0.251 1
1 345 . 14 1 1 A 26 26 GLU HA H 26 4.330 4.427 -0.097 1
1 350 . 14 1 1 A 26 26 GLU C C 26 175.000 175.780 -0.780 1
1 351 . 14 1 1 A 26 26 GLU CA C 26 56.000 55.822 0.178 1
1 352 . 14 1 1 A 26 26 GLU CB C 26 29.800 30.529 -0.729 1
1 354 . 14 1 1 A 26 26 GLU N N 26 115.000 116.237 -1.237 1
1 355 . 14 1 1 A 27 27 GLU H H 27 7.980 7.875 0.105 1
1 356 . 14 1 1 A 27 27 GLU HA H 27 3.950 3.821 0.129 1
1 361 . 14 1 1 A 27 27 GLU C C 27 175.900 174.955 0.945 1
1 362 . 14 1 1 A 27 27 GLU CA C 27 56.900 57.267 -0.367 1
1 363 . 14 1 1 A 27 27 GLU CB C 27 27.100 27.345 -0.245 1
1 365 . 14 1 1 A 27 27 GLU N N 27 116.300 117.289 -0.989 1
1 366 . 14 1 1 A 28 28 VAL H H 28 7.370 7.329 0.041 1
1 367 . 14 1 1 A 28 28 VAL HA H 28 4.200 4.251 -0.051 1
1 375 . 14 1 1 A 28 28 VAL C C 28 176.700 175.881 0.819 1
1 376 . 14 1 1 A 28 28 VAL CA C 28 61.600 61.325 0.275 1
1 377 . 14 1 1 A 28 28 VAL CB C 28 32.600 32.632 -0.032 1
1 380 . 14 1 1 A 28 28 VAL N N 28 112.200 115.641 -3.441 1
1 381 . 14 1 1 A 29 29 THR H H 29 7.400 8.790 -1.390 1
1 382 . 14 1 1 A 29 29 THR HA H 29 4.640 4.782 -0.142 1
1 387 . 14 1 1 A 29 29 THR CA C 29 59.900 60.258 -0.358 1
1 388 . 14 1 1 A 29 29 THR CB C 29 67.900 68.908 -1.008 1
1 390 . 14 1 1 A 29 29 THR N N 29 113.900 114.556 -0.656 1
1 391 . 14 1 1 A 30 30 PRO HA H 30 4.130 4.192 -0.062 1
1 398 . 14 1 1 A 30 30 PRO C C 30 177.600 177.543 0.057 1
1 399 . 14 1 1 A 30 30 PRO CA C 30 66.300 65.709 0.591 1
1 400 . 14 1 1 A 30 30 PRO CB C 30 31.500 31.740 -0.240 1
1 403 . 14 1 1 A 31 31 ASP H H 31 8.390 8.262 0.128 1
1 404 . 14 1 1 A 31 31 ASP HA H 31 4.240 4.408 -0.168 1
1 407 . 14 1 1 A 31 31 ASP C C 31 178.900 178.605 0.295 1
1 408 . 14 1 1 A 31 31 ASP CA C 31 57.000 57.036 -0.036 1
1 409 . 14 1 1 A 31 31 ASP CB C 31 40.000 41.602 -1.602 1
1 410 . 14 1 1 A 31 31 ASP N N 31 113.200 117.559 -4.359 1
1 411 . 14 1 1 A 32 32 LEU H H 32 7.460 7.645 -0.185 1
1 412 . 14 1 1 A 32 32 LEU HA H 32 4.190 4.075 0.115 1
1 422 . 14 1 1 A 32 32 LEU C C 32 178.900 178.430 0.470 1
1 423 . 14 1 1 A 32 32 LEU CA C 32 57.000 57.778 -0.778 1
1 424 . 14 1 1 A 32 32 LEU CB C 32 41.300 41.391 -0.091 1
1 428 . 14 1 1 A 32 32 LEU N N 32 123.000 120.562 2.438 1
1 429 . 14 1 1 A 33 33 ALA H H 33 8.930 8.678 0.252 1
1 430 . 14 1 1 A 33 33 ALA HA H 33 3.730 4.131 -0.401 1
1 434 . 14 1 1 A 33 33 ALA C C 33 179.800 179.755 0.045 1
1 435 . 14 1 1 A 33 33 ALA CA C 33 55.900 55.359 0.541 1
1 436 . 14 1 1 A 33 33 ALA CB C 33 19.100 18.533 0.567 1
1 437 . 14 1 1 A 33 33 ALA N N 33 122.700 121.146 1.554 1
1 438 . 14 1 1 A 34 34 LEU H H 34 8.420 8.293 0.127 1
1 439 . 14 1 1 A 34 34 LEU HA H 34 4.010 3.942 0.068 1
1 449 . 14 1 1 A 34 34 LEU C C 34 179.700 179.301 0.399 1
1 450 . 14 1 1 A 34 34 LEU CA C 34 58.200 57.918 0.282 1
1 451 . 14 1 1 A 34 34 LEU CB C 34 41.200 41.215 -0.015 1
1 455 . 14 1 1 A 34 34 LEU N N 34 115.800 117.798 -1.998 1
1 456 . 14 1 1 A 35 35 MET H H 35 7.730 8.123 -0.393 1
1 457 . 14 1 1 A 35 35 MET HA H 35 4.240 4.169 0.071 1
1 465 . 14 1 1 A 35 35 MET C C 35 179.500 178.127 1.373 1
1 466 . 14 1 1 A 35 35 MET CA C 35 59.300 58.524 0.776 1
1 467 . 14 1 1 A 35 35 MET CB C 35 32.900 32.240 0.660 1
1 470 . 14 1 1 A 35 35 MET N N 35 121.400 118.320 3.080 1
1 471 . 14 1 1 A 36 36 CYS H H 36 8.420 8.336 0.084 1
1 472 . 14 1 1 A 36 36 CYS HA H 36 3.950 4.114 -0.164 1
1 475 . 14 1 1 A 36 36 CYS C C 36 177.000 177.068 -0.068 1
1 476 . 14 1 1 A 36 36 CYS CA C 36 64.200 63.731 0.469 1
1 477 . 14 1 1 A 36 36 CYS CB C 36 27.200 27.442 -0.242 1
1 478 . 14 1 1 A 36 36 CYS N N 36 118.600 117.756 0.844 1
1 479 . 14 1 1 A 37 37 LEU H H 37 9.020 8.737 0.283 1
1 480 . 14 1 1 A 37 37 LEU HA H 37 3.940 3.978 -0.038 1
1 490 . 14 1 1 A 37 37 LEU C C 37 179.100 179.217 -0.117 1
1 491 . 14 1 1 A 37 37 LEU CA C 37 58.300 58.585 -0.285 1
1 492 . 14 1 1 A 37 37 LEU CB C 37 42.200 42.069 0.131 1
1 496 . 14 1 1 A 37 37 LEU N N 37 119.600 120.920 -1.320 1
1 497 . 14 1 1 A 38 38 GLY H H 38 8.940 8.576 0.364 1
1 498 . 14 1 1 A 38 38 GLY HA2 H 38 3.610 3.756 -0.146 1
1 499 . 14 1 1 A 38 38 GLY HA3 H 38 3.970 3.765 0.205 1
1 500 . 14 1 1 A 38 38 GLY C C 38 179.800 176.076 3.724 1
1 501 . 14 1 1 A 38 38 GLY CA C 38 47.900 47.475 0.425 1
1 502 . 14 1 1 A 38 38 GLY N N 38 106.600 105.784 0.816 1
1 503 . 14 1 1 A 39 39 ASN H H 39 7.790 7.669 0.121 1
1 504 . 14 1 1 A 39 39 ASN HA H 39 4.440 4.492 -0.052 1
1 509 . 14 1 1 A 39 39 ASN C C 39 178.000 177.898 0.102 1
1 510 . 14 1 1 A 39 39 ASN CA C 39 56.300 56.428 -0.128 1
1 511 . 14 1 1 A 39 39 ASN CB C 39 39.500 38.490 1.010 1
1 513 . 14 1 1 A 39 39 ASN N N 39 120.900 119.946 0.954 1
1 515 . 14 1 1 A 40 40 ALA H H 40 8.260 7.422 0.838 1
1 516 . 14 1 1 A 40 40 ALA HA H 40 3.970 4.016 -0.046 1
1 520 . 14 1 1 A 40 40 ALA C C 40 178.200 180.221 -2.021 1
1 521 . 14 1 1 A 40 40 ALA CA C 40 55.900 55.319 0.581 1
1 522 . 14 1 1 A 40 40 ALA CB C 40 17.200 18.436 -1.236 1
1 523 . 14 1 1 A 40 40 ALA N N 40 123.900 123.183 0.717 1
1 524 . 14 1 1 A 41 41 VAL H H 41 8.410 7.974 0.436 1
1 525 . 14 1 1 A 41 41 VAL HA H 41 3.180 3.398 -0.218 1
1 533 . 14 1 1 A 41 41 VAL C C 41 177.800 178.291 -0.491 1
1 534 . 14 1 1 A 41 41 VAL CA C 41 67.000 66.970 0.030 1
1 535 . 14 1 1 A 41 41 VAL CB C 41 30.900 31.486 -0.586 1
1 538 . 14 1 1 A 41 41 VAL N N 41 116.900 119.117 -2.217 1
1 539 . 14 1 1 A 42 42 THR H H 42 8.210 8.260 -0.050 1
1 540 . 14 1 1 A 42 42 THR HA H 42 3.430 3.801 -0.371 1
1 545 . 14 1 1 A 42 42 THR C C 42 175.900 175.902 -0.002 1
1 546 . 14 1 1 A 42 42 THR CA C 42 67.500 66.663 0.837 1
1 547 . 14 1 1 A 42 42 THR CB C 42 68.000 67.959 0.041 1
1 549 . 14 1 1 A 42 42 THR N N 42 114.800 115.584 -0.784 1
1 550 . 14 1 1 A 43 43 ASN H H 43 7.600 8.201 -0.601 1
1 551 . 14 1 1 A 43 43 ASN HA H 43 4.170 4.475 -0.305 1
1 556 . 14 1 1 A 43 43 ASN C C 43 177.300 176.549 0.751 1
1 557 . 14 1 1 A 43 43 ASN CA C 43 57.000 56.055 0.945 1
1 558 . 14 1 1 A 43 43 ASN CB C 43 39.400 39.531 -0.131 1
1 560 . 14 1 1 A 43 43 ASN N N 43 120.300 118.896 1.404 1
1 562 . 14 1 1 A 44 44 ILE H H 44 7.630 7.311 0.319 1
1 563 . 14 1 1 A 44 44 ILE HA H 44 3.770 3.833 -0.063 1
1 573 . 14 1 1 A 44 44 ILE C C 44 179.200 178.216 0.984 1
1 574 . 14 1 1 A 44 44 ILE CA C 44 62.100 64.007 -1.907 1
1 575 . 14 1 1 A 44 44 ILE CB C 44 35.700 37.911 -2.211 1
1 579 . 14 1 1 A 44 44 ILE N N 44 119.700 116.113 3.587 1
1 580 . 14 1 1 A 45 45 ILE H H 45 8.460 8.069 0.391 1
1 581 . 14 1 1 A 45 45 ILE HA H 45 3.550 3.701 -0.151 1
1 591 . 14 1 1 A 45 45 ILE C C 45 177.100 177.777 -0.677 1
1 592 . 14 1 1 A 45 45 ILE CA C 45 65.100 65.177 -0.077 1
1 593 . 14 1 1 A 45 45 ILE CB C 45 36.600 37.283 -0.683 1
1 597 . 14 1 1 A 45 45 ILE N N 45 120.300 120.068 0.232 1
1 598 . 14 1 1 A 46 46 ALA H H 46 7.750 8.025 -0.275 1
1 599 . 14 1 1 A 46 46 ALA HA H 46 3.950 4.145 -0.195 1
1 603 . 14 1 1 A 46 46 ALA C C 46 178.000 178.181 -0.181 1
1 604 . 14 1 1 A 46 46 ALA CA C 46 54.000 53.968 0.032 1
1 605 . 14 1 1 A 46 46 ALA CB C 46 17.900 18.341 -0.441 1
1 606 . 14 1 1 A 46 46 ALA N N 46 120.000 122.702 -2.702 1
1 607 . 14 1 1 A 47 47 GLN H H 47 7.610 7.533 0.077 1
1 608 . 14 1 1 A 47 47 GLN HA H 47 4.190 4.399 -0.209 1
1 615 . 14 1 1 A 47 47 GLN C C 47 177.100 175.808 1.292 1
1 616 . 14 1 1 A 47 47 GLN CA C 47 56.000 55.959 0.041 1
1 617 . 14 1 1 A 47 47 GLN CB C 47 29.000 29.550 -0.550 1
1 620 . 14 1 1 A 47 47 GLN N N 47 114.000 115.157 -1.157 1
1 622 . 14 1 1 A 48 48 VAL H H 48 7.740 7.622 0.118 1
1 623 . 14 1 1 A 48 48 VAL HA H 48 4.390 4.195 0.195 1
1 631 . 14 1 1 A 48 48 VAL CA C 48 59.900 59.694 0.206 1
1 632 . 14 1 1 A 48 48 VAL CB C 48 31.900 32.083 -0.183 1
1 635 . 14 1 1 A 48 48 VAL N N 48 122.400 122.073 0.327 1
1 636 . 14 1 1 A 49 49 PRO HA H 49 4.340 4.560 -0.220 1
1 643 . 14 1 1 A 49 49 PRO C C 49 177.700 177.816 -0.116 1
1 644 . 14 1 1 A 49 49 PRO CA C 49 63.700 62.751 0.949 1
1 645 . 14 1 1 A 49 49 PRO CB C 49 32.300 32.734 -0.434 1
1 648 . 14 1 1 A 50 50 GLU H H 50 8.960 9.045 -0.085 1
1 649 . 14 1 1 A 50 50 GLU HA H 50 3.580 3.977 -0.397 1
1 654 . 14 1 1 A 50 50 GLU C C 50 178.300 177.925 0.375 1
1 655 . 14 1 1 A 50 50 GLU CA C 50 60.800 59.311 1.489 1
1 656 . 14 1 1 A 50 50 GLU CB C 50 29.900 29.457 0.443 1
1 658 . 14 1 1 A 50 50 GLU N N 50 124.400 124.479 -0.079 1
1 659 . 14 1 1 A 51 51 SER H H 51 8.640 8.074 0.566 1
1 660 . 14 1 1 A 51 51 SER HA H 51 4.240 4.286 -0.046 1
1 663 . 14 1 1 A 51 51 SER C C 51 175.200 174.867 0.333 1
1 664 . 14 1 1 A 51 51 SER CA C 51 60.600 60.863 -0.263 1
1 665 . 14 1 1 A 51 51 SER CB C 51 62.600 63.210 -0.610 1
1 666 . 14 1 1 A 51 51 SER N N 51 112.000 114.961 -2.961 1
1 667 . 14 1 1 A 52 52 LYS H H 52 7.950 7.825 0.125 1
1 668 . 14 1 1 A 52 52 LYS HA H 52 4.650 4.553 0.097 1
1 677 . 14 1 1 A 52 52 LYS C C 52 176.700 177.976 -1.276 1
1 678 . 14 1 1 A 52 52 LYS CA C 52 55.500 55.653 -0.153 1
1 679 . 14 1 1 A 52 52 LYS CB C 52 34.000 33.221 0.779 1
1 683 . 14 1 1 A 52 52 LYS N N 52 119.600 117.638 1.962 1
1 684 . 14 1 1 A 53 53 ARG H H 53 7.290 7.738 -0.448 1
1 685 . 14 1 1 A 53 53 ARG HA H 53 3.530 4.104 -0.574 1
1 695 . 14 1 1 A 53 53 ARG C C 53 177.300 178.657 -1.357 1
1 696 . 14 1 1 A 53 53 ARG CA C 53 61.700 58.745 2.955 1
1 697 . 14 1 1 A 53 53 ARG CB C 53 30.800 29.947 0.853 1
1 700 . 14 1 1 A 53 53 ARG N N 53 119.000 120.879 -1.879 1
1 702 . 14 1 1 A 54 54 VAL H H 54 8.440 7.905 0.535 1
1 703 . 14 1 1 A 54 54 VAL HA H 54 3.460 3.661 -0.201 1
1 711 . 14 1 1 A 54 54 VAL C C 54 177.400 177.848 -0.448 1
1 712 . 14 1 1 A 54 54 VAL CA C 54 67.200 66.237 0.963 1
1 713 . 14 1 1 A 54 54 VAL CB C 54 31.000 31.232 -0.232 1
1 716 . 14 1 1 A 54 54 VAL N N 54 118.400 119.840 -1.440 1
1 717 . 14 1 1 A 55 55 ALA H H 55 8.120 8.019 0.101 1
1 718 . 14 1 1 A 55 55 ALA HA H 55 4.180 4.078 0.102 1
1 722 . 14 1 1 A 55 55 ALA C C 55 180.700 179.705 0.995 1
1 723 . 14 1 1 A 55 55 ALA CA C 55 55.000 55.234 -0.234 1
1 724 . 14 1 1 A 55 55 ALA CB C 55 17.900 18.246 -0.346 1
1 725 . 14 1 1 A 55 55 ALA N N 55 122.300 122.464 -0.164 1
1 726 . 14 1 1 A 56 56 VAL H H 56 8.040 8.030 0.010 1
1 727 . 14 1 1 A 56 56 VAL HA H 56 3.780 3.747 0.033 1
1 735 . 14 1 1 A 56 56 VAL C C 56 179.400 178.119 1.281 1
1 736 . 14 1 1 A 56 56 VAL CA C 56 66.700 65.590 1.110 1
1 737 . 14 1 1 A 56 56 VAL CB C 56 31.400 31.635 -0.235 1
1 740 . 14 1 1 A 56 56 VAL N N 56 117.900 116.985 0.915 1
1 741 . 14 1 1 A 57 57 VAL H H 57 8.510 7.526 0.984 1
1 742 . 14 1 1 A 57 57 VAL HA H 57 3.760 3.877 -0.117 1
1 750 . 14 1 1 A 57 57 VAL C C 57 177.900 177.354 0.546 1
1 751 . 14 1 1 A 57 57 VAL CA C 57 66.700 65.128 1.572 1
1 752 . 14 1 1 A 57 57 VAL CB C 57 31.400 31.596 -0.196 1
1 755 . 14 1 1 A 57 57 VAL N N 57 121.600 122.667 -1.067 1
1 756 . 14 1 1 A 58 58 ASP H H 58 8.800 8.186 0.614 1
1 757 . 14 1 1 A 58 58 ASP HA H 58 4.420 4.347 0.073 1
1 760 . 14 1 1 A 58 58 ASP C C 58 178.500 178.834 -0.334 1
1 761 . 14 1 1 A 58 58 ASP CA C 58 57.800 57.528 0.272 1
1 762 . 14 1 1 A 58 58 ASP CB C 58 40.000 41.317 -1.317 1
1 763 . 14 1 1 A 58 58 ASP N N 58 124.800 121.660 3.140 1
1 764 . 14 1 1 A 59 59 ASN H H 59 8.500 8.565 -0.065 1
1 765 . 14 1 1 A 59 59 ASN HA H 59 4.460 4.429 0.031 1
1 770 . 14 1 1 A 59 59 ASN C C 59 177.700 177.927 -0.227 1
1 771 . 14 1 1 A 59 59 ASN CA C 59 56.500 56.439 0.061 1
1 772 . 14 1 1 A 59 59 ASN CB C 59 38.300 37.848 0.452 1
1 774 . 14 1 1 A 59 59 ASN N N 59 118.800 117.594 1.206 1
1 776 . 14 1 1 A 60 60 PHE H H 60 8.540 8.191 0.349 1
1 777 . 14 1 1 A 60 60 PHE HA H 60 4.210 4.156 0.054 1
1 785 . 14 1 1 A 60 60 PHE C C 60 177.700 177.222 0.478 1
1 786 . 14 1 1 A 60 60 PHE CA C 60 61.600 61.622 -0.022 1
1 787 . 14 1 1 A 60 60 PHE CB C 60 39.800 39.562 0.238 1
1 793 . 14 1 1 A 60 60 PHE N N 60 121.800 122.298 -0.498 1
1 794 . 14 1 1 A 61 61 THR H H 61 8.820 8.675 0.145 1
1 795 . 14 1 1 A 61 61 THR HA H 61 3.820 3.960 -0.140 1
1 801 . 14 1 1 A 61 61 THR C C 61 176.700 176.674 0.026 1
1 802 . 14 1 1 A 61 61 THR CA C 61 66.200 66.293 -0.093 1
1 803 . 14 1 1 A 61 61 THR CB C 61 68.400 68.660 -0.260 1
1 805 . 14 1 1 A 61 61 THR N N 61 112.200 111.132 1.068 1
1 806 . 14 1 1 A 62 62 LYS H H 62 8.190 8.522 -0.332 1
1 807 . 14 1 1 A 62 62 LYS HA H 62 4.010 3.976 0.034 1
1 816 . 14 1 1 A 62 62 LYS C C 62 179.100 178.820 0.280 1
1 817 . 14 1 1 A 62 62 LYS CA C 62 60.100 59.382 0.718 1
1 818 . 14 1 1 A 62 62 LYS CB C 62 32.500 32.368 0.132 1
1 822 . 14 1 1 A 62 62 LYS N N 62 124.000 122.004 1.996 1
1 823 . 14 1 1 A 63 63 ALA H H 63 7.800 7.911 -0.111 1
1 824 . 14 1 1 A 63 63 ALA HA H 63 4.070 4.058 0.012 1
1 828 . 14 1 1 A 63 63 ALA C C 63 180.400 179.966 0.434 1
1 829 . 14 1 1 A 63 63 ALA CA C 63 54.700 54.740 -0.040 1
1 830 . 14 1 1 A 63 63 ALA CB C 63 17.800 18.453 -0.653 1
1 831 . 14 1 1 A 63 63 ALA N N 63 121.500 120.423 1.077 1
1 832 . 14 1 1 A 64 64 LEU H H 64 7.850 8.075 -0.225 1
1 833 . 14 1 1 A 64 64 LEU HA H 64 3.900 3.900 0.000 1
1 843 . 14 1 1 A 64 64 LEU C C 64 178.600 178.437 0.163 1
1 844 . 14 1 1 A 64 64 LEU CA C 64 57.300 57.452 -0.152 1
1 845 . 14 1 1 A 64 64 LEU CB C 64 41.900 41.669 0.231 1
1 849 . 14 1 1 A 64 64 LEU N N 64 120.100 120.541 -0.441 1
1 850 . 14 1 1 A 65 65 LYS H H 65 7.970 7.870 0.100 1
1 851 . 14 1 1 A 65 65 LYS HA H 65 3.730 4.066 -0.336 1
1 860 . 14 1 1 A 65 65 LYS C C 65 178.300 179.677 -1.377 1
1 861 . 14 1 1 A 65 65 LYS CA C 65 60.400 59.876 0.524 1
1 862 . 14 1 1 A 65 65 LYS CB C 65 31.900 31.924 -0.024 1
1 866 . 14 1 1 A 65 65 LYS N N 65 118.100 118.648 -0.548 1
1 867 . 14 1 1 A 66 66 GLN H H 66 7.820 7.854 -0.034 1
1 868 . 14 1 1 A 66 66 GLN HA H 66 3.950 4.072 -0.122 1
1 875 . 14 1 1 A 66 66 GLN C C 66 178.000 177.354 0.646 1
1 876 . 14 1 1 A 66 66 GLN CA C 66 58.700 58.636 0.064 1
1 877 . 14 1 1 A 66 66 GLN CB C 66 28.200 28.406 -0.206 1
1 880 . 14 1 1 A 66 66 GLN N N 66 116.800 119.866 -3.066 1
1 882 . 14 1 1 A 67 67 SER H H 67 8.060 7.611 0.449 1
1 883 . 14 1 1 A 67 67 SER HA H 67 4.150 4.438 -0.288 1
1 886 . 14 1 1 A 67 67 SER C C 67 176.900 175.292 1.608 1
1 887 . 14 1 1 A 67 67 SER CA C 67 61.500 60.754 0.746 1
1 888 . 14 1 1 A 67 67 SER CB C 67 63.000 63.445 -0.445 1
1 889 . 14 1 1 A 67 67 SER N N 67 114.200 117.043 -2.843 1
1 890 . 14 1 1 A 68 68 VAL H H 68 7.860 7.512 0.348 1
1 891 . 14 1 1 A 68 68 VAL HA H 68 3.850 3.719 0.131 1
1 899 . 14 1 1 A 68 68 VAL C C 68 177.600 178.198 -0.598 1
1 900 . 14 1 1 A 68 68 VAL CA C 68 64.900 65.087 -0.187 1
1 901 . 14 1 1 A 68 68 VAL CB C 68 32.000 31.914 0.086 1
1 904 . 14 1 1 A 68 68 VAL N N 68 119.300 120.912 -1.612 1
1 905 . 14 1 1 A 69 69 LEU H H 69 7.880 8.742 -0.862 1
1 906 . 14 1 1 A 69 69 LEU HA H 69 4.150 3.928 0.222 1
1 916 . 14 1 1 A 69 69 LEU C C 69 178.400 179.635 -1.235 1
1 917 . 14 1 1 A 69 69 LEU CA C 69 56.500 57.992 -1.492 1
1 918 . 14 1 1 A 69 69 LEU CB C 69 41.800 40.924 0.876 1
1 922 . 14 1 1 A 69 69 LEU N N 69 119.800 120.235 -0.435 1
1 923 . 14 1 1 A 70 70 GLU H H 70 7.820 7.783 0.037 1
1 924 . 14 1 1 A 70 70 GLU HA H 70 4.130 4.212 -0.082 1
1 929 . 14 1 1 A 70 70 GLU C C 70 176.700 176.501 0.199 1
1 930 . 14 1 1 A 70 70 GLU CA C 70 56.900 58.350 -1.450 1
1 931 . 14 1 1 A 70 70 GLU CB C 70 29.800 30.621 -0.821 1
1 933 . 14 1 1 A 70 70 GLU N N 70 118.000 120.099 -2.099 1
1 934 . 14 1 1 A 71 71 HIS H H 71 7.950 7.983 -0.033 1
1 935 . 14 1 1 A 71 71 HIS HA H 71 4.460 4.261 0.199 1
1 938 . 14 1 1 A 71 71 HIS C C 71 174.700 174.387 0.313 1
1 939 . 14 1 1 A 71 71 HIS CA C 71 56.300 58.215 -1.915 1
1 940 . 14 1 1 A 71 71 HIS CB C 71 28.800 29.325 -0.525 1
1 941 . 14 1 1 A 71 71 HIS N N 71 117.800 119.468 -1.668 1
1 942 . 14 1 1 A 72 72 HIS H H 72 8.260 8.263 -0.003 1
1 943 . 14 1 1 A 72 72 HIS HA H 72 4.590 4.200 0.390 1
1 946 . 14 1 1 A 72 72 HIS C C 72 174.500 174.870 -0.370 1
1 947 . 14 1 1 A 72 72 HIS CA C 72 55.700 57.086 -1.386 1
1 948 . 14 1 1 A 72 72 HIS CB C 72 29.600 30.575 -0.975 1
1 949 . 14 1 1 A 72 72 HIS N N 72 119.100 118.130 0.970 1
1 950 . 14 1 1 A 73 73 HIS H H 73 8.420 8.877 -0.457 1
1 951 . 14 1 1 A 73 73 HIS HA H 73 4.580 4.434 0.146 1
1 954 . 14 1 1 A 73 73 HIS C C 73 174.400 175.448 -1.048 1
1 955 . 14 1 1 A 73 73 HIS CA C 73 55.500 57.518 -2.018 1
1 956 . 14 1 1 A 73 73 HIS CB C 73 29.600 30.223 -0.623 1
1 957 . 14 1 1 A 73 73 HIS N N 73 119.700 126.081 -6.381 1
1 958 . 14 1 1 A 74 74 HIS H H 74 8.470 7.539 0.931 1
1 959 . 14 1 1 A 74 74 HIS HA H 74 4.570 4.718 -0.148 1
1 962 . 14 1 1 A 74 74 HIS C C 74 173.600 172.768 0.832 1
1 963 . 14 1 1 A 74 74 HIS CA C 74 55.600 54.498 1.102 1
1 964 . 14 1 1 A 74 74 HIS CB C 74 29.500 31.841 -2.341 1
1 965 . 14 1 1 A 74 74 HIS N N 74 120.500 111.845 8.655 1
1 966 . 14 1 1 A 75 75 HIS H H 75 8.290 8.810 -0.520 1
1 967 . 14 1 1 A 75 75 HIS HA H 75 4.400 4.698 -0.298 1
1 970 . 14 1 1 A 75 75 HIS CA C 75 57.100 54.617 2.483 1
1 971 . 14 1 1 A 75 75 HIS CB C 75 29.700 31.330 -1.630 1
1 1 . 15 1 1 A 2 2 PRO HA H 2 4.400 4.650 -0.250 1
1 8 . 15 1 1 A 2 2 PRO C C 2 172.300 175.717 -3.417 1
1 9 . 15 1 1 A 2 2 PRO CA C 2 62.200 62.539 -0.339 1
1 10 . 15 1 1 A 2 2 PRO CB C 2 32.600 29.025 3.575 1
1 13 . 15 1 1 A 3 3 ILE H H 3 8.630 8.269 0.361 1
1 14 . 15 1 1 A 3 3 ILE HA H 3 4.190 4.780 -0.590 1
1 24 . 15 1 1 A 3 3 ILE C C 3 176.100 175.322 0.778 1
1 25 . 15 1 1 A 3 3 ILE CA C 3 61.500 59.362 2.138 1
1 26 . 15 1 1 A 3 3 ILE CB C 3 38.600 42.539 -3.939 1
1 30 . 15 1 1 A 3 3 ILE N N 3 120.700 122.687 -1.987 1
1 31 . 15 1 1 A 4 4 VAL H H 4 8.380 8.903 -0.523 1
1 32 . 15 1 1 A 4 4 VAL HA H 4 4.140 4.287 -0.147 1
1 40 . 15 1 1 A 4 4 VAL C C 4 175.800 175.482 0.318 1
1 41 . 15 1 1 A 4 4 VAL CA C 4 62.100 61.540 0.560 1
1 42 . 15 1 1 A 4 4 VAL CB C 4 32.800 29.515 3.285 1
1 45 . 15 1 1 A 4 4 VAL N N 4 125.500 127.466 -1.966 1
1 46 . 15 1 1 A 5 5 SER H H 5 8.450 8.310 0.140 1
1 47 . 15 1 1 A 5 5 SER HA H 5 4.420 3.961 0.459 1
1 50 . 15 1 1 A 5 5 SER C C 5 174.300 174.076 0.224 1
1 51 . 15 1 1 A 5 5 SER CA C 5 57.900 60.557 -2.657 1
1 52 . 15 1 1 A 5 5 SER CB C 5 64.000 61.642 2.358 1
1 53 . 15 1 1 A 5 5 SER N N 5 120.500 113.091 7.409 1
1 54 . 15 1 1 A 6 6 LYS H H 6 8.330 7.068 1.262 1
1 55 . 15 1 1 A 6 6 LYS HA H 6 4.150 4.269 -0.119 1
1 64 . 15 1 1 A 6 6 LYS C C 6 176.000 174.587 1.413 1
1 65 . 15 1 1 A 6 6 LYS CA C 6 56.800 55.355 1.445 1
1 66 . 15 1 1 A 6 6 LYS CB C 6 33.000 33.851 -0.851 1
1 70 . 15 1 1 A 6 6 LYS N N 6 123.400 123.141 0.259 1
1 71 . 15 1 1 A 7 7 TYR H H 7 8.150 7.383 0.767 1
1 72 . 15 1 1 A 7 7 TYR HA H 7 4.640 5.141 -0.501 1
1 79 . 15 1 1 A 7 7 TYR C C 7 175.400 175.584 -0.184 1
1 80 . 15 1 1 A 7 7 TYR CA C 7 56.700 56.359 0.341 1
1 81 . 15 1 1 A 7 7 TYR CB C 7 39.300 41.675 -2.375 1
1 86 . 15 1 1 A 7 7 TYR N N 7 120.000 119.822 0.178 1
1 87 . 15 1 1 A 8 8 SER H H 8 8.360 8.942 -0.582 1
1 88 . 15 1 1 A 8 8 SER HA H 8 4.400 4.871 -0.471 1
1 91 . 15 1 1 A 8 8 SER C C 8 174.700 175.822 -1.122 1
1 92 . 15 1 1 A 8 8 SER CA C 8 57.600 57.303 0.297 1
1 93 . 15 1 1 A 8 8 SER CB C 8 64.000 65.281 -1.281 1
1 94 . 15 1 1 A 8 8 SER N N 8 118.100 117.038 1.062 1
1 95 . 15 1 1 A 9 9 ASN H H 9 8.900 9.060 -0.160 1
1 96 . 15 1 1 A 9 9 ASN HA H 9 4.400 4.435 -0.035 1
1 101 . 15 1 1 A 9 9 ASN C C 9 176.800 177.602 -0.802 1
1 102 . 15 1 1 A 9 9 ASN CA C 9 55.900 57.075 -1.175 1
1 103 . 15 1 1 A 9 9 ASN CB C 9 38.300 38.020 0.280 1
1 105 . 15 1 1 A 9 9 ASN N N 9 122.300 120.510 1.790 1
1 107 . 15 1 1 A 10 10 GLU H H 10 8.740 8.388 0.352 1
1 108 . 15 1 1 A 10 10 GLU HA H 10 4.000 3.966 0.034 1
1 113 . 15 1 1 A 10 10 GLU C C 10 178.500 179.119 -0.619 1
1 114 . 15 1 1 A 10 10 GLU CA C 10 59.900 59.934 -0.034 1
1 115 . 15 1 1 A 10 10 GLU CB C 10 29.000 29.149 -0.149 1
1 117 . 15 1 1 A 10 10 GLU N N 10 119.000 119.416 -0.416 1
1 118 . 15 1 1 A 11 11 ARG H H 11 7.750 8.005 -0.255 1
1 119 . 15 1 1 A 11 11 ARG HA H 11 4.070 4.244 -0.174 1
1 127 . 15 1 1 A 11 11 ARG C C 11 178.000 178.684 -0.684 1
1 128 . 15 1 1 A 11 11 ARG CA C 11 58.800 58.619 0.181 1
1 129 . 15 1 1 A 11 11 ARG CB C 11 30.100 29.955 0.145 1
1 132 . 15 1 1 A 11 11 ARG N N 11 121.500 120.405 1.095 1
1 134 . 15 1 1 A 12 12 VAL H H 12 7.830 8.250 -0.420 1
1 135 . 15 1 1 A 12 12 VAL HA H 12 3.420 3.510 -0.090 1
1 143 . 15 1 1 A 12 12 VAL C C 12 177.400 177.778 -0.378 1
1 144 . 15 1 1 A 12 12 VAL CA C 12 67.000 66.945 0.055 1
1 145 . 15 1 1 A 12 12 VAL CB C 12 32.100 31.526 0.574 1
1 148 . 15 1 1 A 12 12 VAL N N 12 118.800 119.934 -1.134 1
1 149 . 15 1 1 A 13 13 GLU H H 13 8.220 8.696 -0.476 1
1 150 . 15 1 1 A 13 13 GLU HA H 13 3.890 3.964 -0.074 1
1 155 . 15 1 1 A 13 13 GLU C C 13 178.900 179.404 -0.504 1
1 156 . 15 1 1 A 13 13 GLU CA C 13 59.500 59.620 -0.120 1
1 157 . 15 1 1 A 13 13 GLU CB C 13 29.000 29.194 -0.194 1
1 159 . 15 1 1 A 13 13 GLU N N 13 116.800 118.587 -1.787 1
1 160 . 15 1 1 A 14 14 LYS H H 14 7.600 7.651 -0.051 1
1 161 . 15 1 1 A 14 14 LYS HA H 14 4.030 4.175 -0.145 1
1 170 . 15 1 1 A 14 14 LYS C C 14 177.700 178.706 -1.006 1
1 171 . 15 1 1 A 14 14 LYS CA C 14 59.100 58.706 0.394 1
1 172 . 15 1 1 A 14 14 LYS CB C 14 32.100 32.562 -0.462 1
1 176 . 15 1 1 A 14 14 LYS N N 14 120.400 121.187 -0.787 1
1 177 . 15 1 1 A 15 15 ILE H H 15 7.830 8.200 -0.370 1
1 178 . 15 1 1 A 15 15 ILE HA H 15 3.630 3.638 -0.008 1
1 188 . 15 1 1 A 15 15 ILE C C 15 178.200 178.408 -0.208 1
1 189 . 15 1 1 A 15 15 ILE CA C 15 65.700 65.554 0.146 1
1 190 . 15 1 1 A 15 15 ILE CB C 15 37.500 37.703 -0.203 1
1 194 . 15 1 1 A 15 15 ILE N N 15 119.700 119.688 0.012 1
1 195 . 15 1 1 A 16 16 ILE H H 16 8.080 8.068 0.012 1
1 196 . 15 1 1 A 16 16 ILE HA H 16 3.360 3.502 -0.142 1
1 206 . 15 1 1 A 16 16 ILE C C 16 177.500 178.088 -0.588 1
1 207 . 15 1 1 A 16 16 ILE CA C 16 66.600 65.233 1.367 1
1 208 . 15 1 1 A 16 16 ILE CB C 16 38.300 37.418 0.882 1
1 212 . 15 1 1 A 16 16 ILE N N 16 117.900 121.304 -3.404 1
1 213 . 15 1 1 A 17 17 GLN H H 17 8.010 8.302 -0.292 1
1 214 . 15 1 1 A 17 17 GLN HA H 17 3.830 3.895 -0.065 1
1 221 . 15 1 1 A 17 17 GLN C C 17 178.000 178.004 -0.004 1
1 222 . 15 1 1 A 17 17 GLN CA C 17 58.400 59.651 -1.251 1
1 223 . 15 1 1 A 17 17 GLN CB C 17 28.100 28.051 0.049 1
1 225 . 15 1 1 A 17 17 GLN N N 17 117.900 121.060 -3.160 1
1 227 . 15 1 1 A 18 18 ASP H H 18 8.710 8.676 0.034 1
1 228 . 15 1 1 A 18 18 ASP HA H 18 4.400 4.325 0.075 1
1 231 . 15 1 1 A 18 18 ASP C C 18 179.800 178.982 0.818 1
1 232 . 15 1 1 A 18 18 ASP CA C 18 57.400 57.306 0.094 1
1 233 . 15 1 1 A 18 18 ASP CB C 18 39.900 40.367 -0.467 1
1 234 . 15 1 1 A 18 18 ASP N N 18 121.000 119.864 1.136 1
1 235 . 15 1 1 A 19 19 LEU H H 19 8.260 8.090 0.170 1
1 236 . 15 1 1 A 19 19 LEU HA H 19 4.010 4.035 -0.025 1
1 246 . 15 1 1 A 19 19 LEU C C 19 178.200 179.338 -1.138 1
1 247 . 15 1 1 A 19 19 LEU CA C 19 58.100 58.066 0.034 1
1 248 . 15 1 1 A 19 19 LEU CB C 19 42.400 41.723 0.677 1
1 252 . 15 1 1 A 19 19 LEU N N 19 120.800 120.702 0.098 1
1 253 . 15 1 1 A 20 20 LEU H H 20 8.160 8.368 -0.208 1
1 254 . 15 1 1 A 20 20 LEU HA H 20 3.940 3.931 0.009 1
1 264 . 15 1 1 A 20 20 LEU C C 20 180.100 179.277 0.823 1
1 265 . 15 1 1 A 20 20 LEU CA C 20 57.900 58.026 -0.126 1
1 266 . 15 1 1 A 20 20 LEU CB C 20 40.800 41.220 -0.420 1
1 270 . 15 1 1 A 20 20 LEU N N 20 117.300 118.922 -1.622 1
1 271 . 15 1 1 A 21 21 ASP H H 21 9.000 8.417 0.583 1
1 272 . 15 1 1 A 21 21 ASP HA H 21 4.420 4.423 -0.003 1
1 275 . 15 1 1 A 21 21 ASP C C 21 179.000 178.936 0.064 1
1 276 . 15 1 1 A 21 21 ASP CA C 21 57.300 57.564 -0.264 1
1 277 . 15 1 1 A 21 21 ASP CB C 21 40.500 40.601 -0.101 1
1 278 . 15 1 1 A 21 21 ASP N N 21 120.000 119.921 0.079 1
1 279 . 15 1 1 A 22 22 VAL H H 22 7.370 7.738 -0.368 1
1 280 . 15 1 1 A 22 22 VAL HA H 22 3.600 3.575 0.025 1
1 288 . 15 1 1 A 22 22 VAL C C 22 177.700 178.470 -0.770 1
1 289 . 15 1 1 A 22 22 VAL CA C 22 66.300 66.739 -0.439 1
1 290 . 15 1 1 A 22 22 VAL CB C 22 32.000 31.373 0.627 1
1 293 . 15 1 1 A 22 22 VAL N N 22 119.800 119.962 -0.162 1
1 294 . 15 1 1 A 23 23 LEU H H 23 6.880 7.881 -1.001 1
1 295 . 15 1 1 A 23 23 LEU HA H 23 3.880 4.060 -0.180 1
1 305 . 15 1 1 A 23 23 LEU C C 23 179.100 179.048 0.052 1
1 306 . 15 1 1 A 23 23 LEU CA C 23 57.100 57.881 -0.781 1
1 307 . 15 1 1 A 23 23 LEU CB C 23 40.600 41.997 -1.397 1
1 311 . 15 1 1 A 23 23 LEU N N 23 116.500 119.008 -2.508 1
1 312 . 15 1 1 A 24 24 VAL H H 24 8.430 8.486 -0.056 1
1 313 . 15 1 1 A 24 24 VAL HA H 24 3.780 3.534 0.246 1
1 321 . 15 1 1 A 24 24 VAL C C 24 180.800 177.963 2.837 1
1 322 . 15 1 1 A 24 24 VAL CA C 24 65.900 66.838 -0.938 1
1 323 . 15 1 1 A 24 24 VAL CB C 24 32.200 31.380 0.820 1
1 326 . 15 1 1 A 24 24 VAL N N 24 120.300 118.330 1.970 1
1 327 . 15 1 1 A 25 25 LYS H H 25 8.380 8.196 0.184 1
1 328 . 15 1 1 A 25 25 LYS HA H 25 4.030 3.969 0.061 1
1 337 . 15 1 1 A 25 25 LYS C C 25 178.500 178.352 0.148 1
1 338 . 15 1 1 A 25 25 LYS CA C 25 59.400 59.577 -0.177 1
1 339 . 15 1 1 A 25 25 LYS CB C 25 32.300 32.250 0.050 1
1 343 . 15 1 1 A 25 25 LYS N N 25 121.900 119.740 2.160 1
1 344 . 15 1 1 A 26 26 GLU H H 26 7.360 7.469 -0.109 1
1 345 . 15 1 1 A 26 26 GLU HA H 26 4.330 4.427 -0.097 1
1 350 . 15 1 1 A 26 26 GLU C C 26 175.000 175.412 -0.412 1
1 351 . 15 1 1 A 26 26 GLU CA C 26 56.000 56.510 -0.510 1
1 352 . 15 1 1 A 26 26 GLU CB C 26 29.800 29.706 0.094 1
1 354 . 15 1 1 A 26 26 GLU N N 26 115.000 115.751 -0.751 1
1 355 . 15 1 1 A 27 27 GLU H H 27 7.980 8.041 -0.061 1
1 356 . 15 1 1 A 27 27 GLU HA H 27 3.950 3.844 0.106 1
1 361 . 15 1 1 A 27 27 GLU C C 27 175.900 175.212 0.688 1
1 362 . 15 1 1 A 27 27 GLU CA C 27 56.900 57.431 -0.531 1
1 363 . 15 1 1 A 27 27 GLU CB C 27 27.100 27.153 -0.053 1
1 365 . 15 1 1 A 27 27 GLU N N 27 116.300 116.858 -0.558 1
1 366 . 15 1 1 A 28 28 VAL H H 28 7.370 7.399 -0.029 1
1 367 . 15 1 1 A 28 28 VAL HA H 28 4.200 4.170 0.030 1
1 375 . 15 1 1 A 28 28 VAL C C 28 176.700 175.665 1.035 1
1 376 . 15 1 1 A 28 28 VAL CA C 28 61.600 61.947 -0.347 1
1 377 . 15 1 1 A 28 28 VAL CB C 28 32.600 32.571 0.029 1
1 380 . 15 1 1 A 28 28 VAL N N 28 112.200 115.851 -3.651 1
1 381 . 15 1 1 A 29 29 THR H H 29 7.400 8.851 -1.451 1
1 382 . 15 1 1 A 29 29 THR HA H 29 4.640 4.762 -0.122 1
1 387 . 15 1 1 A 29 29 THR CA C 29 59.900 59.870 0.030 1
1 388 . 15 1 1 A 29 29 THR CB C 29 67.900 69.231 -1.331 1
1 390 . 15 1 1 A 29 29 THR N N 29 113.900 115.754 -1.854 1
1 391 . 15 1 1 A 30 30 PRO HA H 30 4.130 4.169 -0.039 1
1 398 . 15 1 1 A 30 30 PRO C C 30 177.600 178.576 -0.976 1
1 399 . 15 1 1 A 30 30 PRO CA C 30 66.300 65.767 0.533 1
1 400 . 15 1 1 A 30 30 PRO CB C 30 31.500 31.719 -0.219 1
1 403 . 15 1 1 A 31 31 ASP H H 31 8.390 8.369 0.021 1
1 404 . 15 1 1 A 31 31 ASP HA H 31 4.240 4.333 -0.093 1
1 407 . 15 1 1 A 31 31 ASP C C 31 178.900 178.969 -0.069 1
1 408 . 15 1 1 A 31 31 ASP CA C 31 57.000 57.421 -0.421 1
1 409 . 15 1 1 A 31 31 ASP CB C 31 40.000 40.495 -0.495 1
1 410 . 15 1 1 A 31 31 ASP N N 31 113.200 117.296 -4.096 1
1 411 . 15 1 1 A 32 32 LEU H H 32 7.460 8.059 -0.599 1
1 412 . 15 1 1 A 32 32 LEU HA H 32 4.190 4.089 0.101 1
1 422 . 15 1 1 A 32 32 LEU C C 32 178.900 178.417 0.483 1
1 423 . 15 1 1 A 32 32 LEU CA C 32 57.000 57.840 -0.840 1
1 424 . 15 1 1 A 32 32 LEU CB C 32 41.300 41.507 -0.207 1
1 428 . 15 1 1 A 32 32 LEU N N 32 123.000 120.886 2.114 1
1 429 . 15 1 1 A 33 33 ALA H H 33 8.930 8.655 0.275 1
1 430 . 15 1 1 A 33 33 ALA HA H 33 3.730 4.150 -0.420 1
1 434 . 15 1 1 A 33 33 ALA C C 33 179.800 180.036 -0.236 1
1 435 . 15 1 1 A 33 33 ALA CA C 33 55.900 55.323 0.577 1
1 436 . 15 1 1 A 33 33 ALA CB C 33 19.100 18.141 0.959 1
1 437 . 15 1 1 A 33 33 ALA N N 33 122.700 120.807 1.893 1
1 438 . 15 1 1 A 34 34 LEU H H 34 8.420 8.303 0.117 1
1 439 . 15 1 1 A 34 34 LEU HA H 34 4.010 3.886 0.124 1
1 449 . 15 1 1 A 34 34 LEU C C 34 179.700 178.824 0.876 1
1 450 . 15 1 1 A 34 34 LEU CA C 34 58.200 58.108 0.092 1
1 451 . 15 1 1 A 34 34 LEU CB C 34 41.200 41.480 -0.280 1
1 455 . 15 1 1 A 34 34 LEU N N 34 115.800 118.264 -2.464 1
1 456 . 15 1 1 A 35 35 MET H H 35 7.730 8.257 -0.527 1
1 457 . 15 1 1 A 35 35 MET HA H 35 4.240 4.125 0.115 1
1 465 . 15 1 1 A 35 35 MET C C 35 179.500 178.168 1.332 1
1 466 . 15 1 1 A 35 35 MET CA C 35 59.300 58.717 0.583 1
1 467 . 15 1 1 A 35 35 MET CB C 35 32.900 32.026 0.874 1
1 470 . 15 1 1 A 35 35 MET N N 35 121.400 118.533 2.867 1
1 471 . 15 1 1 A 36 36 CYS H H 36 8.420 8.303 0.117 1
1 472 . 15 1 1 A 36 36 CYS HA H 36 3.950 4.138 -0.188 1
1 475 . 15 1 1 A 36 36 CYS C C 36 177.000 177.186 -0.186 1
1 476 . 15 1 1 A 36 36 CYS CA C 36 64.200 63.389 0.811 1
1 477 . 15 1 1 A 36 36 CYS CB C 36 27.200 28.014 -0.814 1
1 478 . 15 1 1 A 36 36 CYS N N 36 118.600 117.743 0.857 1
1 479 . 15 1 1 A 37 37 LEU H H 37 9.020 8.641 0.379 1
1 480 . 15 1 1 A 37 37 LEU HA H 37 3.940 3.996 -0.056 1
1 490 . 15 1 1 A 37 37 LEU C C 37 179.100 179.271 -0.171 1
1 491 . 15 1 1 A 37 37 LEU CA C 37 58.300 58.410 -0.110 1
1 492 . 15 1 1 A 37 37 LEU CB C 37 42.200 42.075 0.125 1
1 496 . 15 1 1 A 37 37 LEU N N 37 119.600 120.767 -1.167 1
1 497 . 15 1 1 A 38 38 GLY H H 38 8.940 8.572 0.368 1
1 498 . 15 1 1 A 38 38 GLY HA2 H 38 3.610 3.772 -0.162 1
1 499 . 15 1 1 A 38 38 GLY HA3 H 38 3.970 3.791 0.179 1
1 500 . 15 1 1 A 38 38 GLY C C 38 179.800 175.795 4.005 1
1 501 . 15 1 1 A 38 38 GLY CA C 38 47.900 47.260 0.640 1
1 502 . 15 1 1 A 38 38 GLY N N 38 106.600 105.142 1.458 1
1 503 . 15 1 1 A 39 39 ASN H H 39 7.790 8.053 -0.263 1
1 504 . 15 1 1 A 39 39 ASN HA H 39 4.440 4.435 0.005 1
1 509 . 15 1 1 A 39 39 ASN C C 39 178.000 177.487 0.513 1
1 510 . 15 1 1 A 39 39 ASN CA C 39 56.300 56.583 -0.283 1
1 511 . 15 1 1 A 39 39 ASN CB C 39 39.500 39.009 0.491 1
1 513 . 15 1 1 A 39 39 ASN N N 39 120.900 119.867 1.033 1
1 515 . 15 1 1 A 40 40 ALA H H 40 8.260 7.578 0.682 1
1 516 . 15 1 1 A 40 40 ALA HA H 40 3.970 4.041 -0.071 1
1 520 . 15 1 1 A 40 40 ALA C C 40 178.200 179.739 -1.539 1
1 521 . 15 1 1 A 40 40 ALA CA C 40 55.900 55.265 0.635 1
1 522 . 15 1 1 A 40 40 ALA CB C 40 17.200 18.340 -1.140 1
1 523 . 15 1 1 A 40 40 ALA N N 40 123.900 121.830 2.070 1
1 524 . 15 1 1 A 41 41 VAL H H 41 8.410 8.188 0.222 1
1 525 . 15 1 1 A 41 41 VAL HA H 41 3.180 3.357 -0.177 1
1 533 . 15 1 1 A 41 41 VAL C C 41 177.800 178.574 -0.774 1
1 534 . 15 1 1 A 41 41 VAL CA C 41 67.000 67.218 -0.218 1
1 535 . 15 1 1 A 41 41 VAL CB C 41 30.900 31.499 -0.599 1
1 538 . 15 1 1 A 41 41 VAL N N 41 116.900 118.371 -1.471 1
1 539 . 15 1 1 A 42 42 THR H H 42 8.210 8.128 0.082 1
1 540 . 15 1 1 A 42 42 THR HA H 42 3.430 3.857 -0.427 1
1 545 . 15 1 1 A 42 42 THR C C 42 175.900 177.111 -1.211 1
1 546 . 15 1 1 A 42 42 THR CA C 42 67.500 66.707 0.793 1
1 547 . 15 1 1 A 42 42 THR CB C 42 68.000 68.249 -0.249 1
1 549 . 15 1 1 A 42 42 THR N N 42 114.800 116.714 -1.914 1
1 550 . 15 1 1 A 43 43 ASN H H 43 7.600 7.796 -0.196 1
1 551 . 15 1 1 A 43 43 ASN HA H 43 4.170 4.547 -0.377 1
1 556 . 15 1 1 A 43 43 ASN C C 43 177.300 177.991 -0.691 1
1 557 . 15 1 1 A 43 43 ASN CA C 43 57.000 56.222 0.778 1
1 558 . 15 1 1 A 43 43 ASN CB C 43 39.400 38.652 0.748 1
1 560 . 15 1 1 A 43 43 ASN N N 43 120.300 119.248 1.052 1
1 562 . 15 1 1 A 44 44 ILE H H 44 7.630 7.519 0.111 1
1 563 . 15 1 1 A 44 44 ILE HA H 44 3.770 3.656 0.114 1
1 573 . 15 1 1 A 44 44 ILE C C 44 179.200 178.599 0.601 1
1 574 . 15 1 1 A 44 44 ILE CA C 44 62.100 64.965 -2.865 1
1 575 . 15 1 1 A 44 44 ILE CB C 44 35.700 38.104 -2.404 1
1 579 . 15 1 1 A 44 44 ILE N N 44 119.700 120.467 -0.767 1
1 580 . 15 1 1 A 45 45 ILE H H 45 8.460 8.202 0.258 1
1 581 . 15 1 1 A 45 45 ILE HA H 45 3.550 3.861 -0.311 1
1 591 . 15 1 1 A 45 45 ILE C C 45 177.100 178.334 -1.234 1
1 592 . 15 1 1 A 45 45 ILE CA C 45 65.100 63.763 1.337 1
1 593 . 15 1 1 A 45 45 ILE CB C 45 36.600 37.034 -0.434 1
1 597 . 15 1 1 A 45 45 ILE N N 45 120.300 119.234 1.066 1
1 598 . 15 1 1 A 46 46 ALA H H 46 7.750 7.446 0.304 1
1 599 . 15 1 1 A 46 46 ALA HA H 46 3.950 4.145 -0.195 1
1 603 . 15 1 1 A 46 46 ALA C C 46 178.000 178.230 -0.230 1
1 604 . 15 1 1 A 46 46 ALA CA C 46 54.000 54.137 -0.137 1
1 605 . 15 1 1 A 46 46 ALA CB C 46 17.900 18.211 -0.311 1
1 606 . 15 1 1 A 46 46 ALA N N 46 120.000 123.804 -3.804 1
1 607 . 15 1 1 A 47 47 GLN H H 47 7.610 7.591 0.019 1
1 608 . 15 1 1 A 47 47 GLN HA H 47 4.190 4.393 -0.203 1
1 615 . 15 1 1 A 47 47 GLN C C 47 177.100 174.152 2.948 1
1 616 . 15 1 1 A 47 47 GLN CA C 47 56.000 55.652 0.348 1
1 617 . 15 1 1 A 47 47 GLN CB C 47 29.000 29.602 -0.602 1
1 620 . 15 1 1 A 47 47 GLN N N 47 114.000 114.765 -0.765 1
1 622 . 15 1 1 A 48 48 VAL H H 48 7.740 7.375 0.365 1
1 623 . 15 1 1 A 48 48 VAL HA H 48 4.390 4.390 0.000 1
1 631 . 15 1 1 A 48 48 VAL CA C 48 59.900 58.859 1.041 1
1 632 . 15 1 1 A 48 48 VAL CB C 48 31.900 33.098 -1.198 1
1 635 . 15 1 1 A 48 48 VAL N N 48 122.400 120.287 2.113 1
1 636 . 15 1 1 A 49 49 PRO HA H 49 4.340 4.486 -0.146 1
1 643 . 15 1 1 A 49 49 PRO C C 49 177.700 177.849 -0.149 1
1 644 . 15 1 1 A 49 49 PRO CA C 49 63.700 63.362 0.338 1
1 645 . 15 1 1 A 49 49 PRO CB C 49 32.300 32.578 -0.278 1
1 648 . 15 1 1 A 50 50 GLU H H 50 8.960 8.657 0.303 1
1 649 . 15 1 1 A 50 50 GLU HA H 50 3.580 3.942 -0.362 1
1 654 . 15 1 1 A 50 50 GLU C C 50 178.300 178.596 -0.296 1
1 655 . 15 1 1 A 50 50 GLU CA C 50 60.800 60.076 0.724 1
1 656 . 15 1 1 A 50 50 GLU CB C 50 29.900 29.476 0.424 1
1 658 . 15 1 1 A 50 50 GLU N N 50 124.400 123.419 0.981 1
1 659 . 15 1 1 A 51 51 SER H H 51 8.640 8.340 0.300 1
1 660 . 15 1 1 A 51 51 SER HA H 51 4.240 4.116 0.124 1
1 663 . 15 1 1 A 51 51 SER C C 51 175.200 175.491 -0.291 1
1 664 . 15 1 1 A 51 51 SER CA C 51 60.600 61.389 -0.789 1
1 665 . 15 1 1 A 51 51 SER CB C 51 62.600 63.114 -0.514 1
1 666 . 15 1 1 A 51 51 SER N N 51 112.000 115.248 -3.248 1
1 667 . 15 1 1 A 52 52 LYS H H 52 7.950 8.222 -0.272 1
1 668 . 15 1 1 A 52 52 LYS HA H 52 4.650 4.430 0.220 1
1 677 . 15 1 1 A 52 52 LYS C C 52 176.700 178.659 -1.959 1
1 678 . 15 1 1 A 52 52 LYS CA C 52 55.500 57.298 -1.798 1
1 679 . 15 1 1 A 52 52 LYS CB C 52 34.000 32.996 1.004 1
1 683 . 15 1 1 A 52 52 LYS N N 52 119.600 118.714 0.886 1
1 684 . 15 1 1 A 53 53 ARG H H 53 7.290 7.920 -0.630 1
1 685 . 15 1 1 A 53 53 ARG HA H 53 3.530 4.058 -0.528 1
1 695 . 15 1 1 A 53 53 ARG C C 53 177.300 178.878 -1.578 1
1 696 . 15 1 1 A 53 53 ARG CA C 53 61.700 59.038 2.662 1
1 697 . 15 1 1 A 53 53 ARG CB C 53 30.800 29.769 1.031 1
1 700 . 15 1 1 A 53 53 ARG N N 53 119.000 120.759 -1.759 1
1 702 . 15 1 1 A 54 54 VAL H H 54 8.440 7.883 0.557 1
1 703 . 15 1 1 A 54 54 VAL HA H 54 3.460 3.618 -0.158 1
1 711 . 15 1 1 A 54 54 VAL C C 54 177.400 177.946 -0.546 1
1 712 . 15 1 1 A 54 54 VAL CA C 54 67.200 66.411 0.789 1
1 713 . 15 1 1 A 54 54 VAL CB C 54 31.000 31.462 -0.462 1
1 716 . 15 1 1 A 54 54 VAL N N 54 118.400 119.517 -1.117 1
1 717 . 15 1 1 A 55 55 ALA H H 55 8.120 8.072 0.048 1
1 718 . 15 1 1 A 55 55 ALA HA H 55 4.180 4.077 0.103 1
1 722 . 15 1 1 A 55 55 ALA C C 55 180.700 179.680 1.020 1
1 723 . 15 1 1 A 55 55 ALA CA C 55 55.000 55.298 -0.298 1
1 724 . 15 1 1 A 55 55 ALA CB C 55 17.900 18.288 -0.388 1
1 725 . 15 1 1 A 55 55 ALA N N 55 122.300 122.304 -0.004 1
1 726 . 15 1 1 A 56 56 VAL H H 56 8.040 8.014 0.026 1
1 727 . 15 1 1 A 56 56 VAL HA H 56 3.780 3.650 0.130 1
1 735 . 15 1 1 A 56 56 VAL C C 56 179.400 178.119 1.281 1
1 736 . 15 1 1 A 56 56 VAL CA C 56 66.700 65.916 0.784 1
1 737 . 15 1 1 A 56 56 VAL CB C 56 31.400 31.878 -0.478 1
1 740 . 15 1 1 A 56 56 VAL N N 56 117.900 116.957 0.943 1
1 741 . 15 1 1 A 57 57 VAL H H 57 8.510 7.956 0.554 1
1 742 . 15 1 1 A 57 57 VAL HA H 57 3.760 3.850 -0.090 1
1 750 . 15 1 1 A 57 57 VAL C C 57 177.900 177.426 0.474 1
1 751 . 15 1 1 A 57 57 VAL CA C 57 66.700 65.266 1.434 1
1 752 . 15 1 1 A 57 57 VAL CB C 57 31.400 31.453 -0.053 1
1 755 . 15 1 1 A 57 57 VAL N N 57 121.600 122.535 -0.935 1
1 756 . 15 1 1 A 58 58 ASP H H 58 8.800 8.166 0.634 1
1 757 . 15 1 1 A 58 58 ASP HA H 58 4.420 4.406 0.014 1
1 760 . 15 1 1 A 58 58 ASP C C 58 178.500 178.550 -0.050 1
1 761 . 15 1 1 A 58 58 ASP CA C 58 57.800 57.684 0.116 1
1 762 . 15 1 1 A 58 58 ASP CB C 58 40.000 41.318 -1.318 1
1 763 . 15 1 1 A 58 58 ASP N N 58 124.800 121.744 3.056 1
1 764 . 15 1 1 A 59 59 ASN H H 59 8.500 8.128 0.372 1
1 765 . 15 1 1 A 59 59 ASN HA H 59 4.460 4.423 0.037 1
1 770 . 15 1 1 A 59 59 ASN C C 59 177.700 177.905 -0.205 1
1 771 . 15 1 1 A 59 59 ASN CA C 59 56.500 56.478 0.022 1
1 772 . 15 1 1 A 59 59 ASN CB C 59 38.300 37.775 0.525 1
1 774 . 15 1 1 A 59 59 ASN N N 59 118.800 117.681 1.119 1
1 776 . 15 1 1 A 60 60 PHE H H 60 8.540 7.980 0.560 1
1 777 . 15 1 1 A 60 60 PHE HA H 60 4.210 4.174 0.036 1
1 785 . 15 1 1 A 60 60 PHE C C 60 177.700 177.542 0.158 1
1 786 . 15 1 1 A 60 60 PHE CA C 60 61.600 61.531 0.069 1
1 787 . 15 1 1 A 60 60 PHE CB C 60 39.800 39.193 0.607 1
1 793 . 15 1 1 A 60 60 PHE N N 60 121.800 122.601 -0.801 1
1 794 . 15 1 1 A 61 61 THR H H 61 8.820 8.442 0.378 1
1 795 . 15 1 1 A 61 61 THR HA H 61 3.820 3.920 -0.100 1
1 801 . 15 1 1 A 61 61 THR C C 61 176.700 176.634 0.066 1
1 802 . 15 1 1 A 61 61 THR CA C 61 66.200 66.141 0.059 1
1 803 . 15 1 1 A 61 61 THR CB C 61 68.400 68.550 -0.150 1
1 805 . 15 1 1 A 61 61 THR N N 61 112.200 110.924 1.276 1
1 806 . 15 1 1 A 62 62 LYS H H 62 8.190 8.399 -0.209 1
1 807 . 15 1 1 A 62 62 LYS HA H 62 4.010 3.987 0.023 1
1 816 . 15 1 1 A 62 62 LYS C C 62 179.100 178.418 0.682 1
1 817 . 15 1 1 A 62 62 LYS CA C 62 60.100 59.163 0.937 1
1 818 . 15 1 1 A 62 62 LYS CB C 62 32.500 32.420 0.080 1
1 822 . 15 1 1 A 62 62 LYS N N 62 124.000 121.966 2.034 1
1 823 . 15 1 1 A 63 63 ALA H H 63 7.800 8.206 -0.406 1
1 824 . 15 1 1 A 63 63 ALA HA H 63 4.070 4.045 0.025 1
1 828 . 15 1 1 A 63 63 ALA C C 63 180.400 180.133 0.267 1
1 829 . 15 1 1 A 63 63 ALA CA C 63 54.700 54.953 -0.253 1
1 830 . 15 1 1 A 63 63 ALA CB C 63 17.800 18.145 -0.345 1
1 831 . 15 1 1 A 63 63 ALA N N 63 121.500 121.849 -0.349 1
1 832 . 15 1 1 A 64 64 LEU H H 64 7.850 8.109 -0.259 1
1 833 . 15 1 1 A 64 64 LEU HA H 64 3.900 3.769 0.131 1
1 843 . 15 1 1 A 64 64 LEU C C 64 178.600 179.367 -0.767 1
1 844 . 15 1 1 A 64 64 LEU CA C 64 57.300 57.956 -0.656 1
1 845 . 15 1 1 A 64 64 LEU CB C 64 41.900 41.434 0.466 1
1 849 . 15 1 1 A 64 64 LEU N N 64 120.100 118.716 1.384 1
1 850 . 15 1 1 A 65 65 LYS H H 65 7.970 8.276 -0.306 1
1 851 . 15 1 1 A 65 65 LYS HA H 65 3.730 3.780 -0.050 1
1 860 . 15 1 1 A 65 65 LYS C C 65 178.300 179.749 -1.449 1
1 861 . 15 1 1 A 65 65 LYS CA C 65 60.400 60.429 -0.029 1
1 862 . 15 1 1 A 65 65 LYS CB C 65 31.900 32.177 -0.277 1
1 866 . 15 1 1 A 65 65 LYS N N 65 118.100 117.236 0.864 1
1 867 . 15 1 1 A 66 66 GLN H H 66 7.820 8.216 -0.396 1
1 868 . 15 1 1 A 66 66 GLN HA H 66 3.950 4.158 -0.208 1
1 875 . 15 1 1 A 66 66 GLN C C 66 178.000 177.991 0.009 1
1 876 . 15 1 1 A 66 66 GLN CA C 66 58.700 57.701 0.999 1
1 877 . 15 1 1 A 66 66 GLN CB C 66 28.200 27.299 0.901 1
1 880 . 15 1 1 A 66 66 GLN N N 66 116.800 118.392 -1.592 1
1 882 . 15 1 1 A 67 67 SER H H 67 8.060 7.767 0.293 1
1 883 . 15 1 1 A 67 67 SER HA H 67 4.150 4.281 -0.131 1
1 886 . 15 1 1 A 67 67 SER C C 67 176.900 176.330 0.570 1
1 887 . 15 1 1 A 67 67 SER CA C 67 61.500 62.504 -1.004 1
1 888 . 15 1 1 A 67 67 SER CB C 67 63.000 63.308 -0.308 1
1 889 . 15 1 1 A 67 67 SER N N 67 114.200 117.911 -3.711 1
1 890 . 15 1 1 A 68 68 VAL H H 68 7.860 8.460 -0.600 1
1 891 . 15 1 1 A 68 68 VAL HA H 68 3.850 3.672 0.178 1
1 899 . 15 1 1 A 68 68 VAL C C 68 177.600 177.423 0.177 1
1 900 . 15 1 1 A 68 68 VAL CA C 68 64.900 66.350 -1.450 1
1 901 . 15 1 1 A 68 68 VAL CB C 68 32.000 31.417 0.583 1
1 904 . 15 1 1 A 68 68 VAL N N 68 119.300 121.529 -2.229 1
1 905 . 15 1 1 A 69 69 LEU H H 69 7.880 7.573 0.307 1
1 906 . 15 1 1 A 69 69 LEU HA H 69 4.150 4.385 -0.235 1
1 916 . 15 1 1 A 69 69 LEU C C 69 178.400 176.044 2.356 1
1 917 . 15 1 1 A 69 69 LEU CA C 69 56.500 54.961 1.539 1
1 918 . 15 1 1 A 69 69 LEU CB C 69 41.800 41.718 0.082 1
1 922 . 15 1 1 A 69 69 LEU N N 69 119.800 120.105 -0.305 1
1 923 . 15 1 1 A 70 70 GLU H H 70 7.820 7.404 0.416 1
1 924 . 15 1 1 A 70 70 GLU HA H 70 4.130 4.850 -0.720 1
1 929 . 15 1 1 A 70 70 GLU C C 70 176.700 174.650 2.050 1
1 930 . 15 1 1 A 70 70 GLU CA C 70 56.900 55.113 1.787 1
1 931 . 15 1 1 A 70 70 GLU CB C 70 29.800 33.409 -3.609 1
1 933 . 15 1 1 A 70 70 GLU N N 70 118.000 120.663 -2.663 1
1 934 . 15 1 1 A 71 71 HIS H H 71 7.950 8.788 -0.838 1
1 935 . 15 1 1 A 71 71 HIS HA H 71 4.460 5.491 -1.031 1
1 938 . 15 1 1 A 71 71 HIS C C 71 174.700 173.488 1.212 1
1 939 . 15 1 1 A 71 71 HIS CA C 71 56.300 54.016 2.284 1
1 940 . 15 1 1 A 71 71 HIS CB C 71 28.800 32.384 -3.584 1
1 941 . 15 1 1 A 71 71 HIS N N 71 117.800 118.045 -0.245 1
1 942 . 15 1 1 A 72 72 HIS H H 72 8.260 8.947 -0.687 1
1 943 . 15 1 1 A 72 72 HIS HA H 72 4.590 5.219 -0.629 1
1 946 . 15 1 1 A 72 72 HIS C C 72 174.500 173.524 0.976 1
1 947 . 15 1 1 A 72 72 HIS CA C 72 55.700 54.567 1.133 1
1 948 . 15 1 1 A 72 72 HIS CB C 72 29.600 32.439 -2.839 1
1 949 . 15 1 1 A 72 72 HIS N N 72 119.100 117.312 1.788 1
1 950 . 15 1 1 A 73 73 HIS H H 73 8.420 9.320 -0.900 1
1 951 . 15 1 1 A 73 73 HIS HA H 73 4.580 4.420 0.160 1
1 954 . 15 1 1 A 73 73 HIS C C 73 174.400 176.140 -1.740 1
1 955 . 15 1 1 A 73 73 HIS CA C 73 55.500 57.060 -1.560 1
1 956 . 15 1 1 A 73 73 HIS CB C 73 29.600 30.908 -1.308 1
1 957 . 15 1 1 A 73 73 HIS N N 73 119.700 117.418 2.282 1
1 958 . 15 1 1 A 74 74 HIS H H 74 8.470 8.209 0.261 1
1 959 . 15 1 1 A 74 74 HIS HA H 74 4.570 4.803 -0.233 1
1 962 . 15 1 1 A 74 74 HIS C C 74 173.600 174.780 -1.180 1
1 963 . 15 1 1 A 74 74 HIS CA C 74 55.600 55.885 -0.285 1
1 964 . 15 1 1 A 74 74 HIS CB C 74 29.500 31.324 -1.824 1
1 965 . 15 1 1 A 74 74 HIS N N 74 120.500 113.687 6.813 1
1 966 . 15 1 1 A 75 75 HIS H H 75 8.290 8.196 0.094 1
1 967 . 15 1 1 A 75 75 HIS HA H 75 4.400 4.191 0.209 1
1 970 . 15 1 1 A 75 75 HIS CA C 75 57.100 56.883 0.217 1
1 971 . 15 1 1 A 75 75 HIS CB C 75 29.700 28.181 1.519 1
1 1 . 16 1 1 A 2 2 PRO HA H 2 4.400 4.241 0.159 1
1 8 . 16 1 1 A 2 2 PRO C C 2 172.300 177.407 -5.107 1
1 9 . 16 1 1 A 2 2 PRO CA C 2 62.200 65.977 -3.777 1
1 10 . 16 1 1 A 2 2 PRO CB C 2 32.600 31.534 1.066 1
1 13 . 16 1 1 A 3 3 ILE H H 3 8.630 7.822 0.808 1
1 14 . 16 1 1 A 3 3 ILE HA H 3 4.190 3.783 0.407 1
1 24 . 16 1 1 A 3 3 ILE C C 3 176.100 175.003 1.097 1
1 25 . 16 1 1 A 3 3 ILE CA C 3 61.500 64.007 -2.507 1
1 26 . 16 1 1 A 3 3 ILE CB C 3 38.600 36.209 2.391 1
1 30 . 16 1 1 A 3 3 ILE N N 3 120.700 116.893 3.807 1
1 31 . 16 1 1 A 4 4 VAL H H 4 8.380 8.181 0.199 1
1 32 . 16 1 1 A 4 4 VAL HA H 4 4.140 4.312 -0.172 1
1 40 . 16 1 1 A 4 4 VAL C C 4 175.800 175.186 0.614 1
1 41 . 16 1 1 A 4 4 VAL CA C 4 62.100 61.047 1.053 1
1 42 . 16 1 1 A 4 4 VAL CB C 4 32.800 32.825 -0.025 1
1 45 . 16 1 1 A 4 4 VAL N N 4 125.500 117.612 7.888 1
1 46 . 16 1 1 A 5 5 SER H H 5 8.450 8.666 -0.216 1
1 47 . 16 1 1 A 5 5 SER HA H 5 4.420 4.336 0.084 1
1 50 . 16 1 1 A 5 5 SER C C 5 174.300 174.869 -0.569 1
1 51 . 16 1 1 A 5 5 SER CA C 5 57.900 57.601 0.299 1
1 52 . 16 1 1 A 5 5 SER CB C 5 64.000 62.882 1.118 1
1 53 . 16 1 1 A 5 5 SER N N 5 120.500 117.914 2.586 1
1 54 . 16 1 1 A 6 6 LYS H H 6 8.330 8.775 -0.445 1
1 55 . 16 1 1 A 6 6 LYS HA H 6 4.150 3.889 0.261 1
1 64 . 16 1 1 A 6 6 LYS C C 6 176.000 175.705 0.295 1
1 65 . 16 1 1 A 6 6 LYS CA C 6 56.800 59.003 -2.203 1
1 66 . 16 1 1 A 6 6 LYS CB C 6 33.000 33.179 -0.179 1
1 70 . 16 1 1 A 6 6 LYS N N 6 123.400 125.072 -1.672 1
1 71 . 16 1 1 A 7 7 TYR H H 7 8.150 7.794 0.356 1
1 72 . 16 1 1 A 7 7 TYR HA H 7 4.640 4.529 0.111 1
1 79 . 16 1 1 A 7 7 TYR C C 7 175.400 174.574 0.826 1
1 80 . 16 1 1 A 7 7 TYR CA C 7 56.700 60.387 -3.687 1
1 81 . 16 1 1 A 7 7 TYR CB C 7 39.300 37.139 2.161 1
1 86 . 16 1 1 A 7 7 TYR N N 7 120.000 118.691 1.309 1
1 87 . 16 1 1 A 8 8 SER H H 8 8.360 8.457 -0.097 1
1 88 . 16 1 1 A 8 8 SER HA H 8 4.400 4.828 -0.428 1
1 91 . 16 1 1 A 8 8 SER C C 8 174.700 174.930 -0.230 1
1 92 . 16 1 1 A 8 8 SER CA C 8 57.600 56.714 0.886 1
1 93 . 16 1 1 A 8 8 SER CB C 8 64.000 65.945 -1.945 1
1 94 . 16 1 1 A 8 8 SER N N 8 118.100 112.532 5.568 1
1 95 . 16 1 1 A 9 9 ASN H H 9 8.900 9.130 -0.230 1
1 96 . 16 1 1 A 9 9 ASN HA H 9 4.400 4.514 -0.114 1
1 101 . 16 1 1 A 9 9 ASN C C 9 176.800 177.607 -0.807 1
1 102 . 16 1 1 A 9 9 ASN CA C 9 55.900 56.096 -0.196 1
1 103 . 16 1 1 A 9 9 ASN CB C 9 38.300 37.453 0.847 1
1 105 . 16 1 1 A 9 9 ASN N N 9 122.300 120.241 2.059 1
1 107 . 16 1 1 A 10 10 GLU H H 10 8.740 8.173 0.567 1
1 108 . 16 1 1 A 10 10 GLU HA H 10 4.000 4.012 -0.012 1
1 113 . 16 1 1 A 10 10 GLU C C 10 178.500 179.027 -0.527 1
1 114 . 16 1 1 A 10 10 GLU CA C 10 59.900 59.481 0.419 1
1 115 . 16 1 1 A 10 10 GLU CB C 10 29.000 29.212 -0.212 1
1 117 . 16 1 1 A 10 10 GLU N N 10 119.000 119.799 -0.799 1
1 118 . 16 1 1 A 11 11 ARG H H 11 7.750 7.549 0.201 1
1 119 . 16 1 1 A 11 11 ARG HA H 11 4.070 4.104 -0.034 1
1 127 . 16 1 1 A 11 11 ARG C C 11 178.000 178.930 -0.930 1
1 128 . 16 1 1 A 11 11 ARG CA C 11 58.800 58.749 0.051 1
1 129 . 16 1 1 A 11 11 ARG CB C 11 30.100 29.776 0.324 1
1 132 . 16 1 1 A 11 11 ARG N N 11 121.500 120.505 0.995 1
1 134 . 16 1 1 A 12 12 VAL H H 12 7.830 7.997 -0.167 1
1 135 . 16 1 1 A 12 12 VAL HA H 12 3.420 3.437 -0.017 1
1 143 . 16 1 1 A 12 12 VAL C C 12 177.400 177.841 -0.441 1
1 144 . 16 1 1 A 12 12 VAL CA C 12 67.000 66.545 0.455 1
1 145 . 16 1 1 A 12 12 VAL CB C 12 32.100 31.563 0.537 1
1 148 . 16 1 1 A 12 12 VAL N N 12 118.800 119.400 -0.600 1
1 149 . 16 1 1 A 13 13 GLU H H 13 8.220 8.209 0.011 1
1 150 . 16 1 1 A 13 13 GLU HA H 13 3.890 3.952 -0.062 1
1 155 . 16 1 1 A 13 13 GLU C C 13 178.900 179.396 -0.496 1
1 156 . 16 1 1 A 13 13 GLU CA C 13 59.500 59.365 0.135 1
1 157 . 16 1 1 A 13 13 GLU CB C 13 29.000 29.063 -0.063 1
1 159 . 16 1 1 A 13 13 GLU N N 13 116.800 118.854 -2.054 1
1 160 . 16 1 1 A 14 14 LYS H H 14 7.600 8.072 -0.472 1
1 161 . 16 1 1 A 14 14 LYS HA H 14 4.030 4.095 -0.065 1
1 170 . 16 1 1 A 14 14 LYS C C 14 177.700 178.961 -1.261 1
1 171 . 16 1 1 A 14 14 LYS CA C 14 59.100 59.309 -0.209 1
1 172 . 16 1 1 A 14 14 LYS CB C 14 32.100 32.304 -0.204 1
1 176 . 16 1 1 A 14 14 LYS N N 14 120.400 121.366 -0.966 1
1 177 . 16 1 1 A 15 15 ILE H H 15 7.830 7.782 0.048 1
1 178 . 16 1 1 A 15 15 ILE HA H 15 3.630 3.631 -0.001 1
1 188 . 16 1 1 A 15 15 ILE C C 15 178.200 178.213 -0.013 1
1 189 . 16 1 1 A 15 15 ILE CA C 15 65.700 65.602 0.098 1
1 190 . 16 1 1 A 15 15 ILE CB C 15 37.500 37.686 -0.186 1
1 194 . 16 1 1 A 15 15 ILE N N 15 119.700 118.844 0.856 1
1 195 . 16 1 1 A 16 16 ILE H H 16 8.080 8.160 -0.080 1
1 196 . 16 1 1 A 16 16 ILE HA H 16 3.360 3.463 -0.103 1
1 206 . 16 1 1 A 16 16 ILE C C 16 177.500 178.173 -0.673 1
1 207 . 16 1 1 A 16 16 ILE CA C 16 66.600 65.573 1.027 1
1 208 . 16 1 1 A 16 16 ILE CB C 16 38.300 37.975 0.325 1
1 212 . 16 1 1 A 16 16 ILE N N 16 117.900 121.271 -3.371 1
1 213 . 16 1 1 A 17 17 GLN H H 17 8.010 8.505 -0.495 1
1 214 . 16 1 1 A 17 17 GLN HA H 17 3.830 3.912 -0.082 1
1 221 . 16 1 1 A 17 17 GLN C C 17 178.000 177.694 0.306 1
1 222 . 16 1 1 A 17 17 GLN CA C 17 58.400 59.136 -0.736 1
1 223 . 16 1 1 A 17 17 GLN CB C 17 28.100 28.085 0.015 1
1 225 . 16 1 1 A 17 17 GLN N N 17 117.900 119.904 -2.004 1
1 227 . 16 1 1 A 18 18 ASP H H 18 8.710 8.323 0.387 1
1 228 . 16 1 1 A 18 18 ASP HA H 18 4.400 4.378 0.022 1
1 231 . 16 1 1 A 18 18 ASP C C 18 179.800 178.763 1.037 1
1 232 . 16 1 1 A 18 18 ASP CA C 18 57.400 57.510 -0.110 1
1 233 . 16 1 1 A 18 18 ASP CB C 18 39.900 40.943 -1.043 1
1 234 . 16 1 1 A 18 18 ASP N N 18 121.000 120.214 0.786 1
1 235 . 16 1 1 A 19 19 LEU H H 19 8.260 8.123 0.137 1
1 236 . 16 1 1 A 19 19 LEU HA H 19 4.010 4.003 0.007 1
1 246 . 16 1 1 A 19 19 LEU C C 19 178.200 179.460 -1.260 1
1 247 . 16 1 1 A 19 19 LEU CA C 19 58.100 58.094 0.006 1
1 248 . 16 1 1 A 19 19 LEU CB C 19 42.400 41.711 0.689 1
1 252 . 16 1 1 A 19 19 LEU N N 19 120.800 120.018 0.782 1
1 253 . 16 1 1 A 20 20 LEU H H 20 8.160 8.569 -0.409 1
1 254 . 16 1 1 A 20 20 LEU HA H 20 3.940 3.947 -0.007 1
1 264 . 16 1 1 A 20 20 LEU C C 20 180.100 178.496 1.604 1
1 265 . 16 1 1 A 20 20 LEU CA C 20 57.900 58.099 -0.199 1
1 266 . 16 1 1 A 20 20 LEU CB C 20 40.800 41.145 -0.345 1
1 270 . 16 1 1 A 20 20 LEU N N 20 117.300 119.059 -1.759 1
1 271 . 16 1 1 A 21 21 ASP H H 21 9.000 8.384 0.616 1
1 272 . 16 1 1 A 21 21 ASP HA H 21 4.420 4.242 0.178 1
1 275 . 16 1 1 A 21 21 ASP C C 21 179.000 178.581 0.419 1
1 276 . 16 1 1 A 21 21 ASP CA C 21 57.300 57.560 -0.260 1
1 277 . 16 1 1 A 21 21 ASP CB C 21 40.500 41.662 -1.162 1
1 278 . 16 1 1 A 21 21 ASP N N 21 120.000 119.690 0.310 1
1 279 . 16 1 1 A 22 22 VAL H H 22 7.370 7.750 -0.380 1
1 280 . 16 1 1 A 22 22 VAL HA H 22 3.600 3.565 0.035 1
1 288 . 16 1 1 A 22 22 VAL C C 22 177.700 178.430 -0.730 1
1 289 . 16 1 1 A 22 22 VAL CA C 22 66.300 66.829 -0.529 1
1 290 . 16 1 1 A 22 22 VAL CB C 22 32.000 31.448 0.552 1
1 293 . 16 1 1 A 22 22 VAL N N 22 119.800 118.829 0.971 1
1 294 . 16 1 1 A 23 23 LEU H H 23 6.880 7.797 -0.917 1
1 295 . 16 1 1 A 23 23 LEU HA H 23 3.880 3.963 -0.083 1
1 305 . 16 1 1 A 23 23 LEU C C 23 179.100 179.103 -0.003 1
1 306 . 16 1 1 A 23 23 LEU CA C 23 57.100 58.199 -1.099 1
1 307 . 16 1 1 A 23 23 LEU CB C 23 40.600 42.335 -1.735 1
1 311 . 16 1 1 A 23 23 LEU N N 23 116.500 119.134 -2.634 1
1 312 . 16 1 1 A 24 24 VAL H H 24 8.430 8.648 -0.218 1
1 313 . 16 1 1 A 24 24 VAL HA H 24 3.780 3.524 0.256 1
1 321 . 16 1 1 A 24 24 VAL C C 24 180.800 178.432 2.368 1
1 322 . 16 1 1 A 24 24 VAL CA C 24 65.900 66.834 -0.934 1
1 323 . 16 1 1 A 24 24 VAL CB C 24 32.200 31.315 0.885 1
1 326 . 16 1 1 A 24 24 VAL N N 24 120.300 118.061 2.239 1
1 327 . 16 1 1 A 25 25 LYS H H 25 8.380 8.485 -0.105 1
1 328 . 16 1 1 A 25 25 LYS HA H 25 4.030 4.121 -0.091 1
1 337 . 16 1 1 A 25 25 LYS C C 25 178.500 177.561 0.939 1
1 338 . 16 1 1 A 25 25 LYS CA C 25 59.400 58.673 0.727 1
1 339 . 16 1 1 A 25 25 LYS CB C 25 32.300 32.205 0.095 1
1 343 . 16 1 1 A 25 25 LYS N N 25 121.900 119.949 1.951 1
1 344 . 16 1 1 A 26 26 GLU H H 26 7.360 7.582 -0.222 1
1 345 . 16 1 1 A 26 26 GLU HA H 26 4.330 4.366 -0.036 1
1 350 . 16 1 1 A 26 26 GLU C C 26 175.000 175.518 -0.518 1
1 351 . 16 1 1 A 26 26 GLU CA C 26 56.000 56.169 -0.169 1
1 352 . 16 1 1 A 26 26 GLU CB C 26 29.800 30.463 -0.663 1
1 354 . 16 1 1 A 26 26 GLU N N 26 115.000 116.083 -1.083 1
1 355 . 16 1 1 A 27 27 GLU H H 27 7.980 8.060 -0.080 1
1 356 . 16 1 1 A 27 27 GLU HA H 27 3.950 3.841 0.109 1
1 361 . 16 1 1 A 27 27 GLU C C 27 175.900 175.194 0.706 1
1 362 . 16 1 1 A 27 27 GLU CA C 27 56.900 57.565 -0.665 1
1 363 . 16 1 1 A 27 27 GLU CB C 27 27.100 27.292 -0.192 1
1 365 . 16 1 1 A 27 27 GLU N N 27 116.300 116.801 -0.501 1
1 366 . 16 1 1 A 28 28 VAL H H 28 7.370 7.315 0.055 1
1 367 . 16 1 1 A 28 28 VAL HA H 28 4.200 4.174 0.026 1
1 375 . 16 1 1 A 28 28 VAL C C 28 176.700 175.924 0.776 1
1 376 . 16 1 1 A 28 28 VAL CA C 28 61.600 61.922 -0.322 1
1 377 . 16 1 1 A 28 28 VAL CB C 28 32.600 32.638 -0.038 1
1 380 . 16 1 1 A 28 28 VAL N N 28 112.200 115.921 -3.721 1
1 381 . 16 1 1 A 29 29 THR H H 29 7.400 8.702 -1.302 1
1 382 . 16 1 1 A 29 29 THR HA H 29 4.640 4.850 -0.210 1
1 387 . 16 1 1 A 29 29 THR CA C 29 59.900 60.230 -0.330 1
1 388 . 16 1 1 A 29 29 THR CB C 29 67.900 69.014 -1.114 1
1 390 . 16 1 1 A 29 29 THR N N 29 113.900 115.362 -1.462 1
1 391 . 16 1 1 A 30 30 PRO HA H 30 4.130 4.231 -0.101 1
1 398 . 16 1 1 A 30 30 PRO C C 30 177.600 178.532 -0.932 1
1 399 . 16 1 1 A 30 30 PRO CA C 30 66.300 65.778 0.522 1
1 400 . 16 1 1 A 30 30 PRO CB C 30 31.500 31.685 -0.185 1
1 403 . 16 1 1 A 31 31 ASP H H 31 8.390 8.378 0.012 1
1 404 . 16 1 1 A 31 31 ASP HA H 31 4.240 4.319 -0.079 1
1 407 . 16 1 1 A 31 31 ASP C C 31 178.900 178.850 0.050 1
1 408 . 16 1 1 A 31 31 ASP CA C 31 57.000 57.099 -0.099 1
1 409 . 16 1 1 A 31 31 ASP CB C 31 40.000 40.265 -0.265 1
1 410 . 16 1 1 A 31 31 ASP N N 31 113.200 117.398 -4.198 1
1 411 . 16 1 1 A 32 32 LEU H H 32 7.460 7.816 -0.356 1
1 412 . 16 1 1 A 32 32 LEU HA H 32 4.190 4.210 -0.020 1
1 422 . 16 1 1 A 32 32 LEU C C 32 178.900 178.235 0.665 1
1 423 . 16 1 1 A 32 32 LEU CA C 32 57.000 57.827 -0.827 1
1 424 . 16 1 1 A 32 32 LEU CB C 32 41.300 41.374 -0.074 1
1 428 . 16 1 1 A 32 32 LEU N N 32 123.000 121.585 1.415 1
1 429 . 16 1 1 A 33 33 ALA H H 33 8.930 8.533 0.397 1
1 430 . 16 1 1 A 33 33 ALA HA H 33 3.730 4.083 -0.353 1
1 434 . 16 1 1 A 33 33 ALA C C 33 179.800 180.113 -0.313 1
1 435 . 16 1 1 A 33 33 ALA CA C 33 55.900 55.202 0.698 1
1 436 . 16 1 1 A 33 33 ALA CB C 33 19.100 17.931 1.169 1
1 437 . 16 1 1 A 33 33 ALA N N 33 122.700 120.769 1.931 1
1 438 . 16 1 1 A 34 34 LEU H H 34 8.420 8.059 0.361 1
1 439 . 16 1 1 A 34 34 LEU HA H 34 4.010 3.891 0.119 1
1 449 . 16 1 1 A 34 34 LEU C C 34 179.700 179.008 0.692 1
1 450 . 16 1 1 A 34 34 LEU CA C 34 58.200 57.972 0.228 1
1 451 . 16 1 1 A 34 34 LEU CB C 34 41.200 41.584 -0.384 1
1 455 . 16 1 1 A 34 34 LEU N N 34 115.800 118.886 -3.086 1
1 456 . 16 1 1 A 35 35 MET H H 35 7.730 8.225 -0.495 1
1 457 . 16 1 1 A 35 35 MET HA H 35 4.240 4.141 0.099 1
1 465 . 16 1 1 A 35 35 MET C C 35 179.500 178.138 1.362 1
1 466 . 16 1 1 A 35 35 MET CA C 35 59.300 58.537 0.763 1
1 467 . 16 1 1 A 35 35 MET CB C 35 32.900 32.148 0.752 1
1 470 . 16 1 1 A 35 35 MET N N 35 121.400 118.495 2.905 1
1 471 . 16 1 1 A 36 36 CYS H H 36 8.420 8.270 0.150 1
1 472 . 16 1 1 A 36 36 CYS HA H 36 3.950 4.131 -0.181 1
1 475 . 16 1 1 A 36 36 CYS C C 36 177.000 177.204 -0.204 1
1 476 . 16 1 1 A 36 36 CYS CA C 36 64.200 63.411 0.789 1
1 477 . 16 1 1 A 36 36 CYS CB C 36 27.200 27.782 -0.582 1
1 478 . 16 1 1 A 36 36 CYS N N 36 118.600 117.755 0.845 1
1 479 . 16 1 1 A 37 37 LEU H H 37 9.020 8.834 0.186 1
1 480 . 16 1 1 A 37 37 LEU HA H 37 3.940 3.994 -0.054 1
1 490 . 16 1 1 A 37 37 LEU C C 37 179.100 179.360 -0.260 1
1 491 . 16 1 1 A 37 37 LEU CA C 37 58.300 58.650 -0.350 1
1 492 . 16 1 1 A 37 37 LEU CB C 37 42.200 41.983 0.217 1
1 496 . 16 1 1 A 37 37 LEU N N 37 119.600 120.468 -0.868 1
1 497 . 16 1 1 A 38 38 GLY H H 38 8.940 8.676 0.264 1
1 498 . 16 1 1 A 38 38 GLY HA2 H 38 3.610 3.790 -0.180 1
1 499 . 16 1 1 A 38 38 GLY HA3 H 38 3.970 3.805 0.165 1
1 500 . 16 1 1 A 38 38 GLY C C 38 179.800 176.518 3.282 1
1 501 . 16 1 1 A 38 38 GLY CA C 38 47.900 47.454 0.446 1
1 502 . 16 1 1 A 38 38 GLY N N 38 106.600 105.966 0.634 1
1 503 . 16 1 1 A 39 39 ASN H H 39 7.790 7.463 0.327 1
1 504 . 16 1 1 A 39 39 ASN HA H 39 4.440 4.444 -0.004 1
1 509 . 16 1 1 A 39 39 ASN C C 39 178.000 178.030 -0.030 1
1 510 . 16 1 1 A 39 39 ASN CA C 39 56.300 56.016 0.284 1
1 511 . 16 1 1 A 39 39 ASN CB C 39 39.500 38.267 1.233 1
1 513 . 16 1 1 A 39 39 ASN N N 39 120.900 120.113 0.787 1
1 515 . 16 1 1 A 40 40 ALA H H 40 8.260 7.976 0.284 1
1 516 . 16 1 1 A 40 40 ALA HA H 40 3.970 4.084 -0.114 1
1 520 . 16 1 1 A 40 40 ALA C C 40 178.200 179.745 -1.545 1
1 521 . 16 1 1 A 40 40 ALA CA C 40 55.900 55.189 0.711 1
1 522 . 16 1 1 A 40 40 ALA CB C 40 17.200 18.352 -1.152 1
1 523 . 16 1 1 A 40 40 ALA N N 40 123.900 123.203 0.697 1
1 524 . 16 1 1 A 41 41 VAL H H 41 8.410 8.389 0.021 1
1 525 . 16 1 1 A 41 41 VAL HA H 41 3.180 3.344 -0.164 1
1 533 . 16 1 1 A 41 41 VAL C C 41 177.800 178.396 -0.596 1
1 534 . 16 1 1 A 41 41 VAL CA C 41 67.000 67.043 -0.043 1
1 535 . 16 1 1 A 41 41 VAL CB C 41 30.900 31.534 -0.634 1
1 538 . 16 1 1 A 41 41 VAL N N 41 116.900 117.980 -1.080 1
1 539 . 16 1 1 A 42 42 THR H H 42 8.210 7.906 0.304 1
1 540 . 16 1 1 A 42 42 THR HA H 42 3.430 3.800 -0.370 1
1 545 . 16 1 1 A 42 42 THR C C 42 175.900 176.191 -0.291 1
1 546 . 16 1 1 A 42 42 THR CA C 42 67.500 66.796 0.704 1
1 547 . 16 1 1 A 42 42 THR CB C 42 68.000 68.316 -0.316 1
1 549 . 16 1 1 A 42 42 THR N N 42 114.800 115.221 -0.421 1
1 550 . 16 1 1 A 43 43 ASN H H 43 7.600 8.332 -0.732 1
1 551 . 16 1 1 A 43 43 ASN HA H 43 4.170 4.448 -0.278 1
1 556 . 16 1 1 A 43 43 ASN C C 43 177.300 177.352 -0.052 1
1 557 . 16 1 1 A 43 43 ASN CA C 43 57.000 56.531 0.469 1
1 558 . 16 1 1 A 43 43 ASN CB C 43 39.400 39.988 -0.588 1
1 560 . 16 1 1 A 43 43 ASN N N 43 120.300 118.901 1.399 1
1 562 . 16 1 1 A 44 44 ILE H H 44 7.630 7.411 0.219 1
1 563 . 16 1 1 A 44 44 ILE HA H 44 3.770 4.013 -0.243 1
1 573 . 16 1 1 A 44 44 ILE C C 44 179.200 178.067 1.133 1
1 574 . 16 1 1 A 44 44 ILE CA C 44 62.100 63.026 -0.926 1
1 575 . 16 1 1 A 44 44 ILE CB C 44 35.700 38.183 -2.483 1
1 579 . 16 1 1 A 44 44 ILE N N 44 119.700 118.347 1.353 1
1 580 . 16 1 1 A 45 45 ILE H H 45 8.460 7.928 0.532 1
1 581 . 16 1 1 A 45 45 ILE HA H 45 3.550 3.701 -0.151 1
1 591 . 16 1 1 A 45 45 ILE C C 45 177.100 177.805 -0.705 1
1 592 . 16 1 1 A 45 45 ILE CA C 45 65.100 65.253 -0.153 1
1 593 . 16 1 1 A 45 45 ILE CB C 45 36.600 37.310 -0.710 1
1 597 . 16 1 1 A 45 45 ILE N N 45 120.300 121.330 -1.030 1
1 598 . 16 1 1 A 46 46 ALA H H 46 7.750 7.911 -0.161 1
1 599 . 16 1 1 A 46 46 ALA HA H 46 3.950 4.107 -0.157 1
1 603 . 16 1 1 A 46 46 ALA C C 46 178.000 178.219 -0.219 1
1 604 . 16 1 1 A 46 46 ALA CA C 46 54.000 54.451 -0.451 1
1 605 . 16 1 1 A 46 46 ALA CB C 46 17.900 18.309 -0.409 1
1 606 . 16 1 1 A 46 46 ALA N N 46 120.000 122.647 -2.647 1
1 607 . 16 1 1 A 47 47 GLN H H 47 7.610 7.620 -0.010 1
1 608 . 16 1 1 A 47 47 GLN HA H 47 4.190 4.377 -0.187 1
1 615 . 16 1 1 A 47 47 GLN C C 47 177.100 176.212 0.888 1
1 616 . 16 1 1 A 47 47 GLN CA C 47 56.000 56.665 -0.665 1
1 617 . 16 1 1 A 47 47 GLN CB C 47 29.000 29.634 -0.634 1
1 620 . 16 1 1 A 47 47 GLN N N 47 114.000 115.275 -1.275 1
1 622 . 16 1 1 A 48 48 VAL H H 48 7.740 7.401 0.339 1
1 623 . 16 1 1 A 48 48 VAL HA H 48 4.390 4.176 0.214 1
1 631 . 16 1 1 A 48 48 VAL CA C 48 59.900 60.111 -0.211 1
1 632 . 16 1 1 A 48 48 VAL CB C 48 31.900 32.248 -0.348 1
1 635 . 16 1 1 A 48 48 VAL N N 48 122.400 122.025 0.375 1
1 636 . 16 1 1 A 49 49 PRO HA H 49 4.340 4.520 -0.180 1
1 643 . 16 1 1 A 49 49 PRO C C 49 177.700 177.642 0.058 1
1 644 . 16 1 1 A 49 49 PRO CA C 49 63.700 62.783 0.917 1
1 645 . 16 1 1 A 49 49 PRO CB C 49 32.300 32.527 -0.227 1
1 648 . 16 1 1 A 50 50 GLU H H 50 8.960 8.639 0.321 1
1 649 . 16 1 1 A 50 50 GLU HA H 50 3.580 3.946 -0.366 1
1 654 . 16 1 1 A 50 50 GLU C C 50 178.300 178.923 -0.623 1
1 655 . 16 1 1 A 50 50 GLU CA C 50 60.800 59.865 0.935 1
1 656 . 16 1 1 A 50 50 GLU CB C 50 29.900 29.495 0.405 1
1 658 . 16 1 1 A 50 50 GLU N N 50 124.400 123.006 1.394 1
1 659 . 16 1 1 A 51 51 SER H H 51 8.640 8.303 0.337 1
1 660 . 16 1 1 A 51 51 SER HA H 51 4.240 4.148 0.092 1
1 663 . 16 1 1 A 51 51 SER C C 51 175.200 175.076 0.124 1
1 664 . 16 1 1 A 51 51 SER CA C 51 60.600 61.066 -0.466 1
1 665 . 16 1 1 A 51 51 SER CB C 51 62.600 63.185 -0.585 1
1 666 . 16 1 1 A 51 51 SER N N 51 112.000 116.035 -4.035 1
1 667 . 16 1 1 A 52 52 LYS H H 52 7.950 7.961 -0.011 1
1 668 . 16 1 1 A 52 52 LYS HA H 52 4.650 4.535 0.115 1
1 677 . 16 1 1 A 52 52 LYS C C 52 176.700 178.160 -1.460 1
1 678 . 16 1 1 A 52 52 LYS CA C 52 55.500 56.228 -0.728 1
1 679 . 16 1 1 A 52 52 LYS CB C 52 34.000 33.276 0.724 1
1 683 . 16 1 1 A 52 52 LYS N N 52 119.600 117.589 2.011 1
1 684 . 16 1 1 A 53 53 ARG H H 53 7.290 7.771 -0.481 1
1 685 . 16 1 1 A 53 53 ARG HA H 53 3.530 4.033 -0.503 1
1 695 . 16 1 1 A 53 53 ARG C C 53 177.300 178.943 -1.643 1
1 696 . 16 1 1 A 53 53 ARG CA C 53 61.700 58.981 2.719 1
1 697 . 16 1 1 A 53 53 ARG CB C 53 30.800 29.802 0.998 1
1 700 . 16 1 1 A 53 53 ARG N N 53 119.000 120.785 -1.785 1
1 702 . 16 1 1 A 54 54 VAL H H 54 8.440 7.974 0.466 1
1 703 . 16 1 1 A 54 54 VAL HA H 54 3.460 3.670 -0.210 1
1 711 . 16 1 1 A 54 54 VAL C C 54 177.400 177.781 -0.381 1
1 712 . 16 1 1 A 54 54 VAL CA C 54 67.200 66.223 0.977 1
1 713 . 16 1 1 A 54 54 VAL CB C 54 31.000 31.172 -0.172 1
1 716 . 16 1 1 A 54 54 VAL N N 54 118.400 119.340 -0.940 1
1 717 . 16 1 1 A 55 55 ALA H H 55 8.120 8.041 0.079 1
1 718 . 16 1 1 A 55 55 ALA HA H 55 4.180 4.104 0.076 1
1 722 . 16 1 1 A 55 55 ALA C C 55 180.700 179.758 0.942 1
1 723 . 16 1 1 A 55 55 ALA CA C 55 55.000 55.294 -0.294 1
1 724 . 16 1 1 A 55 55 ALA CB C 55 17.900 18.218 -0.318 1
1 725 . 16 1 1 A 55 55 ALA N N 55 122.300 122.440 -0.140 1
1 726 . 16 1 1 A 56 56 VAL H H 56 8.040 8.366 -0.326 1
1 727 . 16 1 1 A 56 56 VAL HA H 56 3.780 3.780 0.000 1
1 735 . 16 1 1 A 56 56 VAL C C 56 179.400 178.094 1.306 1
1 736 . 16 1 1 A 56 56 VAL CA C 56 66.700 65.497 1.203 1
1 737 . 16 1 1 A 56 56 VAL CB C 56 31.400 31.656 -0.256 1
1 740 . 16 1 1 A 56 56 VAL N N 56 117.900 116.956 0.944 1
1 741 . 16 1 1 A 57 57 VAL H H 57 8.510 7.505 1.005 1
1 742 . 16 1 1 A 57 57 VAL HA H 57 3.760 3.856 -0.096 1
1 750 . 16 1 1 A 57 57 VAL C C 57 177.900 177.264 0.636 1
1 751 . 16 1 1 A 57 57 VAL CA C 57 66.700 65.222 1.478 1
1 752 . 16 1 1 A 57 57 VAL CB C 57 31.400 31.507 -0.107 1
1 755 . 16 1 1 A 57 57 VAL N N 57 121.600 122.606 -1.006 1
1 756 . 16 1 1 A 58 58 ASP H H 58 8.800 7.883 0.917 1
1 757 . 16 1 1 A 58 58 ASP HA H 58 4.420 4.558 -0.138 1
1 760 . 16 1 1 A 58 58 ASP C C 58 178.500 179.186 -0.686 1
1 761 . 16 1 1 A 58 58 ASP CA C 58 57.800 57.097 0.703 1
1 762 . 16 1 1 A 58 58 ASP CB C 58 40.000 40.644 -0.644 1
1 763 . 16 1 1 A 58 58 ASP N N 58 124.800 122.402 2.398 1
1 764 . 16 1 1 A 59 59 ASN H H 59 8.500 8.335 0.165 1
1 765 . 16 1 1 A 59 59 ASN HA H 59 4.460 4.513 -0.053 1
1 770 . 16 1 1 A 59 59 ASN C C 59 177.700 177.746 -0.046 1
1 771 . 16 1 1 A 59 59 ASN CA C 59 56.500 56.281 0.219 1
1 772 . 16 1 1 A 59 59 ASN CB C 59 38.300 37.999 0.301 1
1 774 . 16 1 1 A 59 59 ASN N N 59 118.800 117.979 0.821 1
1 776 . 16 1 1 A 60 60 PHE H H 60 8.540 8.050 0.490 1
1 777 . 16 1 1 A 60 60 PHE HA H 60 4.210 4.096 0.114 1
1 785 . 16 1 1 A 60 60 PHE C C 60 177.700 177.459 0.241 1
1 786 . 16 1 1 A 60 60 PHE CA C 60 61.600 61.624 -0.024 1
1 787 . 16 1 1 A 60 60 PHE CB C 60 39.800 38.944 0.856 1
1 793 . 16 1 1 A 60 60 PHE N N 60 121.800 122.766 -0.966 1
1 794 . 16 1 1 A 61 61 THR H H 61 8.820 8.632 0.188 1
1 795 . 16 1 1 A 61 61 THR HA H 61 3.820 3.974 -0.154 1
1 801 . 16 1 1 A 61 61 THR C C 61 176.700 176.611 0.089 1
1 802 . 16 1 1 A 61 61 THR CA C 61 66.200 66.291 -0.091 1
1 803 . 16 1 1 A 61 61 THR CB C 61 68.400 68.696 -0.296 1
1 805 . 16 1 1 A 61 61 THR N N 61 112.200 111.567 0.633 1
1 806 . 16 1 1 A 62 62 LYS H H 62 8.190 8.076 0.114 1
1 807 . 16 1 1 A 62 62 LYS HA H 62 4.010 3.960 0.050 1
1 816 . 16 1 1 A 62 62 LYS C C 62 179.100 178.465 0.635 1
1 817 . 16 1 1 A 62 62 LYS CA C 62 60.100 59.380 0.720 1
1 818 . 16 1 1 A 62 62 LYS CB C 62 32.500 32.355 0.145 1
1 822 . 16 1 1 A 62 62 LYS N N 62 124.000 121.986 2.014 1
1 823 . 16 1 1 A 63 63 ALA H H 63 7.800 8.184 -0.384 1
1 824 . 16 1 1 A 63 63 ALA HA H 63 4.070 4.037 0.033 1
1 828 . 16 1 1 A 63 63 ALA C C 63 180.400 180.176 0.224 1
1 829 . 16 1 1 A 63 63 ALA CA C 63 54.700 54.905 -0.205 1
1 830 . 16 1 1 A 63 63 ALA CB C 63 17.800 18.026 -0.226 1
1 831 . 16 1 1 A 63 63 ALA N N 63 121.500 120.937 0.563 1
1 832 . 16 1 1 A 64 64 LEU H H 64 7.850 8.005 -0.155 1
1 833 . 16 1 1 A 64 64 LEU HA H 64 3.900 3.715 0.185 1
1 843 . 16 1 1 A 64 64 LEU C C 64 178.600 179.043 -0.443 1
1 844 . 16 1 1 A 64 64 LEU CA C 64 57.300 58.089 -0.789 1
1 845 . 16 1 1 A 64 64 LEU CB C 64 41.900 41.570 0.330 1
1 849 . 16 1 1 A 64 64 LEU N N 64 120.100 118.553 1.547 1
1 850 . 16 1 1 A 65 65 LYS H H 65 7.970 7.938 0.032 1
1 851 . 16 1 1 A 65 65 LYS HA H 65 3.730 3.785 -0.055 1
1 860 . 16 1 1 A 65 65 LYS C C 65 178.300 179.172 -0.872 1
1 861 . 16 1 1 A 65 65 LYS CA C 65 60.400 60.293 0.107 1
1 862 . 16 1 1 A 65 65 LYS CB C 65 31.900 32.080 -0.180 1
1 866 . 16 1 1 A 65 65 LYS N N 65 118.100 117.057 1.043 1
1 867 . 16 1 1 A 66 66 GLN H H 66 7.820 7.909 -0.089 1
1 868 . 16 1 1 A 66 66 GLN HA H 66 3.950 4.064 -0.114 1
1 875 . 16 1 1 A 66 66 GLN C C 66 178.000 178.433 -0.433 1
1 876 . 16 1 1 A 66 66 GLN CA C 66 58.700 58.752 -0.052 1
1 877 . 16 1 1 A 66 66 GLN CB C 66 28.200 28.728 -0.528 1
1 880 . 16 1 1 A 66 66 GLN N N 66 116.800 119.696 -2.896 1
1 882 . 16 1 1 A 67 67 SER H H 67 8.060 8.461 -0.401 1
1 883 . 16 1 1 A 67 67 SER HA H 67 4.150 4.279 -0.129 1
1 886 . 16 1 1 A 67 67 SER C C 67 176.900 177.427 -0.527 1
1 887 . 16 1 1 A 67 67 SER CA C 67 61.500 61.397 0.103 1
1 888 . 16 1 1 A 67 67 SER CB C 67 63.000 62.429 0.571 1
1 889 . 16 1 1 A 67 67 SER N N 67 114.200 115.861 -1.661 1
1 890 . 16 1 1 A 68 68 VAL H H 68 7.860 8.071 -0.211 1
1 891 . 16 1 1 A 68 68 VAL HA H 68 3.850 3.598 0.252 1
1 899 . 16 1 1 A 68 68 VAL C C 68 177.600 178.303 -0.703 1
1 900 . 16 1 1 A 68 68 VAL CA C 68 64.900 66.930 -2.030 1
1 901 . 16 1 1 A 68 68 VAL CB C 68 32.000 31.642 0.358 1
1 904 . 16 1 1 A 68 68 VAL N N 68 119.300 122.575 -3.275 1
1 905 . 16 1 1 A 69 69 LEU H H 69 7.880 7.979 -0.099 1
1 906 . 16 1 1 A 69 69 LEU HA H 69 4.150 4.014 0.136 1
1 916 . 16 1 1 A 69 69 LEU C C 69 178.400 177.994 0.406 1
1 917 . 16 1 1 A 69 69 LEU CA C 69 56.500 57.968 -1.468 1
1 918 . 16 1 1 A 69 69 LEU CB C 69 41.800 40.959 0.841 1
1 922 . 16 1 1 A 69 69 LEU N N 69 119.800 118.733 1.067 1
1 923 . 16 1 1 A 70 70 GLU H H 70 7.820 7.849 -0.029 1
1 924 . 16 1 1 A 70 70 GLU HA H 70 4.130 4.497 -0.367 1
1 929 . 16 1 1 A 70 70 GLU C C 70 176.700 177.427 -0.727 1
1 930 . 16 1 1 A 70 70 GLU CA C 70 56.900 56.398 0.502 1
1 931 . 16 1 1 A 70 70 GLU CB C 70 29.800 30.328 -0.528 1
1 933 . 16 1 1 A 70 70 GLU N N 70 118.000 117.173 0.827 1
1 934 . 16 1 1 A 71 71 HIS H H 71 7.950 7.599 0.351 1
1 935 . 16 1 1 A 71 71 HIS HA H 71 4.460 4.269 0.191 1
1 938 . 16 1 1 A 71 71 HIS C C 71 174.700 176.790 -2.090 1
1 939 . 16 1 1 A 71 71 HIS CA C 71 56.300 58.464 -2.164 1
1 940 . 16 1 1 A 71 71 HIS CB C 71 28.800 30.237 -1.437 1
1 941 . 16 1 1 A 71 71 HIS N N 71 117.800 119.913 -2.113 1
1 942 . 16 1 1 A 72 72 HIS H H 72 8.260 8.010 0.250 1
1 943 . 16 1 1 A 72 72 HIS HA H 72 4.590 4.396 0.194 1
1 946 . 16 1 1 A 72 72 HIS C C 72 174.500 174.717 -0.217 1
1 947 . 16 1 1 A 72 72 HIS CA C 72 55.700 56.725 -1.025 1
1 948 . 16 1 1 A 72 72 HIS CB C 72 29.600 30.167 -0.567 1
1 949 . 16 1 1 A 72 72 HIS N N 72 119.100 117.938 1.162 1
1 950 . 16 1 1 A 73 73 HIS H H 73 8.420 7.437 0.983 1
1 951 . 16 1 1 A 73 73 HIS HA H 73 4.580 4.893 -0.313 1
1 954 . 16 1 1 A 73 73 HIS C C 73 174.400 174.451 -0.051 1
1 955 . 16 1 1 A 73 73 HIS CA C 73 55.500 54.524 0.976 1
1 956 . 16 1 1 A 73 73 HIS CB C 73 29.600 31.425 -1.825 1
1 957 . 16 1 1 A 73 73 HIS N N 73 119.700 116.478 3.222 1
1 958 . 16 1 1 A 74 74 HIS H H 74 8.470 8.908 -0.438 1
1 959 . 16 1 1 A 74 74 HIS HA H 74 4.570 4.567 0.003 1
1 962 . 16 1 1 A 74 74 HIS C C 74 173.600 174.705 -1.105 1
1 963 . 16 1 1 A 74 74 HIS CA C 74 55.600 57.937 -2.337 1
1 964 . 16 1 1 A 74 74 HIS CB C 74 29.500 31.475 -1.975 1
1 965 . 16 1 1 A 74 74 HIS N N 74 120.500 124.084 -3.584 1
1 966 . 16 1 1 A 75 75 HIS H H 75 8.290 7.917 0.373 1
1 967 . 16 1 1 A 75 75 HIS HA H 75 4.400 4.814 -0.414 1
1 970 . 16 1 1 A 75 75 HIS CA C 75 57.100 53.569 3.531 1
1 971 . 16 1 1 A 75 75 HIS CB C 75 29.700 31.489 -1.789 1
1 1 . 17 1 1 A 2 2 PRO HA H 2 4.400 4.654 -0.254 1
1 8 . 17 1 1 A 2 2 PRO C C 2 172.300 175.953 -3.653 1
1 9 . 17 1 1 A 2 2 PRO CA C 2 62.200 62.122 0.078 1
1 10 . 17 1 1 A 2 2 PRO CB C 2 32.600 33.048 -0.448 1
1 13 . 17 1 1 A 3 3 ILE H H 3 8.630 8.481 0.149 1
1 14 . 17 1 1 A 3 3 ILE HA H 3 4.190 4.121 0.069 1
1 24 . 17 1 1 A 3 3 ILE C C 3 176.100 175.472 0.628 1
1 25 . 17 1 1 A 3 3 ILE CA C 3 61.500 60.920 0.580 1
1 26 . 17 1 1 A 3 3 ILE CB C 3 38.600 36.659 1.941 1
1 30 . 17 1 1 A 3 3 ILE N N 3 120.700 120.714 -0.014 1
1 31 . 17 1 1 A 4 4 VAL H H 4 8.380 8.802 -0.422 1
1 32 . 17 1 1 A 4 4 VAL HA H 4 4.140 4.149 -0.009 1
1 40 . 17 1 1 A 4 4 VAL C C 4 175.800 175.519 0.281 1
1 41 . 17 1 1 A 4 4 VAL CA C 4 62.100 62.954 -0.854 1
1 42 . 17 1 1 A 4 4 VAL CB C 4 32.800 30.881 1.919 1
1 45 . 17 1 1 A 4 4 VAL N N 4 125.500 129.843 -4.343 1
1 46 . 17 1 1 A 5 5 SER H H 5 8.450 8.792 -0.342 1
1 47 . 17 1 1 A 5 5 SER HA H 5 4.420 4.755 -0.335 1
1 50 . 17 1 1 A 5 5 SER C C 5 174.300 173.697 0.603 1
1 51 . 17 1 1 A 5 5 SER CA C 5 57.900 57.508 0.392 1
1 52 . 17 1 1 A 5 5 SER CB C 5 64.000 64.319 -0.319 1
1 53 . 17 1 1 A 5 5 SER N N 5 120.500 125.023 -4.523 1
1 54 . 17 1 1 A 6 6 LYS H H 6 8.330 7.663 0.667 1
1 55 . 17 1 1 A 6 6 LYS HA H 6 4.150 3.778 0.372 1
1 64 . 17 1 1 A 6 6 LYS C C 6 176.000 175.354 0.646 1
1 65 . 17 1 1 A 6 6 LYS CA C 6 56.800 54.813 1.987 1
1 66 . 17 1 1 A 6 6 LYS CB C 6 33.000 31.447 1.553 1
1 70 . 17 1 1 A 6 6 LYS N N 6 123.400 122.710 0.690 1
1 71 . 17 1 1 A 7 7 TYR H H 7 8.150 7.767 0.383 1
1 72 . 17 1 1 A 7 7 TYR HA H 7 4.640 4.304 0.336 1
1 79 . 17 1 1 A 7 7 TYR C C 7 175.400 174.783 0.617 1
1 80 . 17 1 1 A 7 7 TYR CA C 7 56.700 60.222 -3.522 1
1 81 . 17 1 1 A 7 7 TYR CB C 7 39.300 37.203 2.097 1
1 86 . 17 1 1 A 7 7 TYR N N 7 120.000 125.754 -5.754 1
1 87 . 17 1 1 A 8 8 SER H H 8 8.360 8.529 -0.169 1
1 88 . 17 1 1 A 8 8 SER HA H 8 4.400 4.783 -0.383 1
1 91 . 17 1 1 A 8 8 SER C C 8 174.700 175.616 -0.916 1
1 92 . 17 1 1 A 8 8 SER CA C 8 57.600 56.409 1.191 1
1 93 . 17 1 1 A 8 8 SER CB C 8 64.000 64.764 -0.764 1
1 94 . 17 1 1 A 8 8 SER N N 8 118.100 117.303 0.797 1
1 95 . 17 1 1 A 9 9 ASN H H 9 8.900 9.085 -0.185 1
1 96 . 17 1 1 A 9 9 ASN HA H 9 4.400 4.420 -0.020 1
1 101 . 17 1 1 A 9 9 ASN C C 9 176.800 177.600 -0.800 1
1 102 . 17 1 1 A 9 9 ASN CA C 9 55.900 57.192 -1.292 1
1 103 . 17 1 1 A 9 9 ASN CB C 9 38.300 38.034 0.266 1
1 105 . 17 1 1 A 9 9 ASN N N 9 122.300 126.996 -4.696 1
1 107 . 17 1 1 A 10 10 GLU H H 10 8.740 8.452 0.288 1
1 108 . 17 1 1 A 10 10 GLU HA H 10 4.000 4.007 -0.007 1
1 113 . 17 1 1 A 10 10 GLU C C 10 178.500 179.058 -0.558 1
1 114 . 17 1 1 A 10 10 GLU CA C 10 59.900 59.719 0.181 1
1 115 . 17 1 1 A 10 10 GLU CB C 10 29.000 29.117 -0.117 1
1 117 . 17 1 1 A 10 10 GLU N N 10 119.000 119.572 -0.572 1
1 118 . 17 1 1 A 11 11 ARG H H 11 7.750 8.003 -0.253 1
1 119 . 17 1 1 A 11 11 ARG HA H 11 4.070 4.200 -0.130 1
1 127 . 17 1 1 A 11 11 ARG C C 11 178.000 178.762 -0.762 1
1 128 . 17 1 1 A 11 11 ARG CA C 11 58.800 58.589 0.211 1
1 129 . 17 1 1 A 11 11 ARG CB C 11 30.100 29.876 0.224 1
1 132 . 17 1 1 A 11 11 ARG N N 11 121.500 120.492 1.008 1
1 134 . 17 1 1 A 12 12 VAL H H 12 7.830 8.062 -0.232 1
1 135 . 17 1 1 A 12 12 VAL HA H 12 3.420 3.525 -0.105 1
1 143 . 17 1 1 A 12 12 VAL C C 12 177.400 177.748 -0.348 1
1 144 . 17 1 1 A 12 12 VAL CA C 12 67.000 66.489 0.511 1
1 145 . 17 1 1 A 12 12 VAL CB C 12 32.100 31.517 0.583 1
1 148 . 17 1 1 A 12 12 VAL N N 12 118.800 120.602 -1.802 1
1 149 . 17 1 1 A 13 13 GLU H H 13 8.220 8.491 -0.271 1
1 150 . 17 1 1 A 13 13 GLU HA H 13 3.890 3.956 -0.066 1
1 155 . 17 1 1 A 13 13 GLU C C 13 178.900 179.394 -0.494 1
1 156 . 17 1 1 A 13 13 GLU CA C 13 59.500 59.626 -0.126 1
1 157 . 17 1 1 A 13 13 GLU CB C 13 29.000 29.213 -0.213 1
1 159 . 17 1 1 A 13 13 GLU N N 13 116.800 118.591 -1.791 1
1 160 . 17 1 1 A 14 14 LYS H H 14 7.600 7.478 0.122 1
1 161 . 17 1 1 A 14 14 LYS HA H 14 4.030 4.008 0.022 1
1 170 . 17 1 1 A 14 14 LYS C C 14 177.700 180.052 -2.352 1
1 171 . 17 1 1 A 14 14 LYS CA C 14 59.100 58.319 0.781 1
1 172 . 17 1 1 A 14 14 LYS CB C 14 32.100 31.418 0.682 1
1 176 . 17 1 1 A 14 14 LYS N N 14 120.400 119.503 0.897 1
1 177 . 17 1 1 A 15 15 ILE H H 15 7.830 8.025 -0.195 1
1 178 . 17 1 1 A 15 15 ILE HA H 15 3.630 3.631 -0.001 1
1 188 . 17 1 1 A 15 15 ILE C C 15 178.200 178.474 -0.274 1
1 189 . 17 1 1 A 15 15 ILE CA C 15 65.700 65.620 0.080 1
1 190 . 17 1 1 A 15 15 ILE CB C 15 37.500 37.714 -0.214 1
1 194 . 17 1 1 A 15 15 ILE N N 15 119.700 120.226 -0.526 1
1 195 . 17 1 1 A 16 16 ILE H H 16 8.080 8.117 -0.037 1
1 196 . 17 1 1 A 16 16 ILE HA H 16 3.360 3.478 -0.118 1
1 206 . 17 1 1 A 16 16 ILE C C 16 177.500 178.266 -0.766 1
1 207 . 17 1 1 A 16 16 ILE CA C 16 66.600 65.495 1.105 1
1 208 . 17 1 1 A 16 16 ILE CB C 16 38.300 37.870 0.430 1
1 212 . 17 1 1 A 16 16 ILE N N 16 117.900 120.898 -2.998 1
1 213 . 17 1 1 A 17 17 GLN H H 17 8.010 8.394 -0.384 1
1 214 . 17 1 1 A 17 17 GLN HA H 17 3.830 3.908 -0.078 1
1 221 . 17 1 1 A 17 17 GLN C C 17 178.000 178.066 -0.066 1
1 222 . 17 1 1 A 17 17 GLN CA C 17 58.400 59.653 -1.253 1
1 223 . 17 1 1 A 17 17 GLN CB C 17 28.100 28.097 0.003 1
1 225 . 17 1 1 A 17 17 GLN N N 17 117.900 120.342 -2.442 1
1 227 . 17 1 1 A 18 18 ASP H H 18 8.710 8.881 -0.171 1
1 228 . 17 1 1 A 18 18 ASP HA H 18 4.400 4.333 0.067 1
1 231 . 17 1 1 A 18 18 ASP C C 18 179.800 178.755 1.045 1
1 232 . 17 1 1 A 18 18 ASP CA C 18 57.400 57.863 -0.463 1
1 233 . 17 1 1 A 18 18 ASP CB C 18 39.900 41.816 -1.916 1
1 234 . 17 1 1 A 18 18 ASP N N 18 121.000 120.189 0.811 1
1 235 . 17 1 1 A 19 19 LEU H H 19 8.260 8.085 0.175 1
1 236 . 17 1 1 A 19 19 LEU HA H 19 4.010 4.004 0.006 1
1 246 . 17 1 1 A 19 19 LEU C C 19 178.200 179.339 -1.139 1
1 247 . 17 1 1 A 19 19 LEU CA C 19 58.100 58.081 0.019 1
1 248 . 17 1 1 A 19 19 LEU CB C 19 42.400 41.635 0.765 1
1 252 . 17 1 1 A 19 19 LEU N N 19 120.800 120.037 0.763 1
1 253 . 17 1 1 A 20 20 LEU H H 20 8.160 8.297 -0.137 1
1 254 . 17 1 1 A 20 20 LEU HA H 20 3.940 3.927 0.013 1
1 264 . 17 1 1 A 20 20 LEU C C 20 180.100 178.572 1.528 1
1 265 . 17 1 1 A 20 20 LEU CA C 20 57.900 57.828 0.072 1
1 266 . 17 1 1 A 20 20 LEU CB C 20 40.800 40.933 -0.133 1
1 270 . 17 1 1 A 20 20 LEU N N 20 117.300 118.621 -1.321 1
1 271 . 17 1 1 A 21 21 ASP H H 21 9.000 8.647 0.353 1
1 272 . 17 1 1 A 21 21 ASP HA H 21 4.420 4.249 0.171 1
1 275 . 17 1 1 A 21 21 ASP C C 21 179.000 178.697 0.303 1
1 276 . 17 1 1 A 21 21 ASP CA C 21 57.300 57.544 -0.244 1
1 277 . 17 1 1 A 21 21 ASP CB C 21 40.500 41.756 -1.256 1
1 278 . 17 1 1 A 21 21 ASP N N 21 120.000 119.747 0.253 1
1 279 . 17 1 1 A 22 22 VAL H H 22 7.370 7.812 -0.442 1
1 280 . 17 1 1 A 22 22 VAL HA H 22 3.600 3.578 0.022 1
1 288 . 17 1 1 A 22 22 VAL C C 22 177.700 178.146 -0.446 1
1 289 . 17 1 1 A 22 22 VAL CA C 22 66.300 66.714 -0.414 1
1 290 . 17 1 1 A 22 22 VAL CB C 22 32.000 31.339 0.661 1
1 293 . 17 1 1 A 22 22 VAL N N 22 119.800 118.963 0.837 1
1 294 . 17 1 1 A 23 23 LEU H H 23 6.880 7.853 -0.973 1
1 295 . 17 1 1 A 23 23 LEU HA H 23 3.880 3.913 -0.033 1
1 305 . 17 1 1 A 23 23 LEU C C 23 179.100 179.094 0.006 1
1 306 . 17 1 1 A 23 23 LEU CA C 23 57.100 58.206 -1.106 1
1 307 . 17 1 1 A 23 23 LEU CB C 23 40.600 41.947 -1.347 1
1 311 . 17 1 1 A 23 23 LEU N N 23 116.500 119.010 -2.510 1
1 312 . 17 1 1 A 24 24 VAL H H 24 8.430 8.724 -0.294 1
1 313 . 17 1 1 A 24 24 VAL HA H 24 3.780 3.578 0.202 1
1 321 . 17 1 1 A 24 24 VAL C C 24 180.800 178.020 2.780 1
1 322 . 17 1 1 A 24 24 VAL CA C 24 65.900 66.937 -1.037 1
1 323 . 17 1 1 A 24 24 VAL CB C 24 32.200 31.463 0.737 1
1 326 . 17 1 1 A 24 24 VAL N N 24 120.300 119.046 1.254 1
1 327 . 17 1 1 A 25 25 LYS H H 25 8.380 8.469 -0.089 1
1 328 . 17 1 1 A 25 25 LYS HA H 25 4.030 3.974 0.056 1
1 337 . 17 1 1 A 25 25 LYS C C 25 178.500 178.829 -0.329 1
1 338 . 17 1 1 A 25 25 LYS CA C 25 59.400 59.454 -0.054 1
1 339 . 17 1 1 A 25 25 LYS CB C 25 32.300 32.407 -0.107 1
1 343 . 17 1 1 A 25 25 LYS N N 25 121.900 119.698 2.202 1
1 344 . 17 1 1 A 26 26 GLU H H 26 7.360 7.827 -0.467 1
1 345 . 17 1 1 A 26 26 GLU HA H 26 4.330 4.355 -0.025 1
1 350 . 17 1 1 A 26 26 GLU C C 26 175.000 175.895 -0.895 1
1 351 . 17 1 1 A 26 26 GLU CA C 26 56.000 56.491 -0.491 1
1 352 . 17 1 1 A 26 26 GLU CB C 26 29.800 30.056 -0.256 1
1 354 . 17 1 1 A 26 26 GLU N N 26 115.000 115.975 -0.975 1
1 355 . 17 1 1 A 27 27 GLU H H 27 7.980 7.862 0.118 1
1 356 . 17 1 1 A 27 27 GLU HA H 27 3.950 3.844 0.106 1
1 361 . 17 1 1 A 27 27 GLU C C 27 175.900 175.247 0.653 1
1 362 . 17 1 1 A 27 27 GLU CA C 27 56.900 57.372 -0.472 1
1 363 . 17 1 1 A 27 27 GLU CB C 27 27.100 27.174 -0.074 1
1 365 . 17 1 1 A 27 27 GLU N N 27 116.300 116.994 -0.694 1
1 366 . 17 1 1 A 28 28 VAL H H 28 7.370 7.444 -0.074 1
1 367 . 17 1 1 A 28 28 VAL HA H 28 4.200 4.157 0.043 1
1 375 . 17 1 1 A 28 28 VAL C C 28 176.700 175.841 0.859 1
1 376 . 17 1 1 A 28 28 VAL CA C 28 61.600 61.991 -0.391 1
1 377 . 17 1 1 A 28 28 VAL CB C 28 32.600 32.427 0.173 1
1 380 . 17 1 1 A 28 28 VAL N N 28 112.200 115.730 -3.530 1
1 381 . 17 1 1 A 29 29 THR H H 29 7.400 8.662 -1.262 1
1 382 . 17 1 1 A 29 29 THR HA H 29 4.640 4.673 -0.033 1
1 387 . 17 1 1 A 29 29 THR CA C 29 59.900 60.256 -0.356 1
1 388 . 17 1 1 A 29 29 THR CB C 29 67.900 68.897 -0.997 1
1 390 . 17 1 1 A 29 29 THR N N 29 113.900 116.139 -2.239 1
1 391 . 17 1 1 A 30 30 PRO HA H 30 4.130 4.255 -0.125 1
1 398 . 17 1 1 A 30 30 PRO C C 30 177.600 177.711 -0.111 1
1 399 . 17 1 1 A 30 30 PRO CA C 30 66.300 65.814 0.486 1
1 400 . 17 1 1 A 30 30 PRO CB C 30 31.500 31.615 -0.115 1
1 403 . 17 1 1 A 31 31 ASP H H 31 8.390 8.322 0.068 1
1 404 . 17 1 1 A 31 31 ASP HA H 31 4.240 4.420 -0.180 1
1 407 . 17 1 1 A 31 31 ASP C C 31 178.900 178.555 0.345 1
1 408 . 17 1 1 A 31 31 ASP CA C 31 57.000 57.000 0.000 1
1 409 . 17 1 1 A 31 31 ASP CB C 31 40.000 41.373 -1.373 1
1 410 . 17 1 1 A 31 31 ASP N N 31 113.200 117.569 -4.369 1
1 411 . 17 1 1 A 32 32 LEU H H 32 7.460 8.084 -0.624 1
1 412 . 17 1 1 A 32 32 LEU HA H 32 4.190 4.142 0.048 1
1 422 . 17 1 1 A 32 32 LEU C C 32 178.900 178.442 0.458 1
1 423 . 17 1 1 A 32 32 LEU CA C 32 57.000 57.807 -0.807 1
1 424 . 17 1 1 A 32 32 LEU CB C 32 41.300 41.335 -0.035 1
1 428 . 17 1 1 A 32 32 LEU N N 32 123.000 120.681 2.319 1
1 429 . 17 1 1 A 33 33 ALA H H 33 8.930 8.524 0.406 1
1 430 . 17 1 1 A 33 33 ALA HA H 33 3.730 4.155 -0.425 1
1 434 . 17 1 1 A 33 33 ALA C C 33 179.800 179.934 -0.134 1
1 435 . 17 1 1 A 33 33 ALA CA C 33 55.900 55.330 0.570 1
1 436 . 17 1 1 A 33 33 ALA CB C 33 19.100 18.422 0.678 1
1 437 . 17 1 1 A 33 33 ALA N N 33 122.700 121.029 1.671 1
1 438 . 17 1 1 A 34 34 LEU H H 34 8.420 8.297 0.123 1
1 439 . 17 1 1 A 34 34 LEU HA H 34 4.010 3.879 0.131 1
1 449 . 17 1 1 A 34 34 LEU C C 34 179.700 178.592 1.108 1
1 450 . 17 1 1 A 34 34 LEU CA C 34 58.200 58.170 0.030 1
1 451 . 17 1 1 A 34 34 LEU CB C 34 41.200 41.618 -0.418 1
1 455 . 17 1 1 A 34 34 LEU N N 34 115.800 118.190 -2.390 1
1 456 . 17 1 1 A 35 35 MET H H 35 7.730 8.326 -0.596 1
1 457 . 17 1 1 A 35 35 MET HA H 35 4.240 4.121 0.119 1
1 465 . 17 1 1 A 35 35 MET C C 35 179.500 178.202 1.298 1
1 466 . 17 1 1 A 35 35 MET CA C 35 59.300 58.645 0.655 1
1 467 . 17 1 1 A 35 35 MET CB C 35 32.900 32.029 0.871 1
1 470 . 17 1 1 A 35 35 MET N N 35 121.400 118.454 2.946 1
1 471 . 17 1 1 A 36 36 CYS H H 36 8.420 8.139 0.281 1
1 472 . 17 1 1 A 36 36 CYS HA H 36 3.950 4.177 -0.227 1
1 475 . 17 1 1 A 36 36 CYS C C 36 177.000 177.118 -0.118 1
1 476 . 17 1 1 A 36 36 CYS CA C 36 64.200 63.799 0.401 1
1 477 . 17 1 1 A 36 36 CYS CB C 36 27.200 27.886 -0.686 1
1 478 . 17 1 1 A 36 36 CYS N N 36 118.600 117.844 0.756 1
1 479 . 17 1 1 A 37 37 LEU H H 37 9.020 8.703 0.317 1
1 480 . 17 1 1 A 37 37 LEU HA H 37 3.940 3.994 -0.054 1
1 490 . 17 1 1 A 37 37 LEU C C 37 179.100 179.210 -0.110 1
1 491 . 17 1 1 A 37 37 LEU CA C 37 58.300 58.398 -0.098 1
1 492 . 17 1 1 A 37 37 LEU CB C 37 42.200 42.129 0.071 1
1 496 . 17 1 1 A 37 37 LEU N N 37 119.600 120.904 -1.304 1
1 497 . 17 1 1 A 38 38 GLY H H 38 8.940 8.386 0.554 1
1 498 . 17 1 1 A 38 38 GLY HA2 H 38 3.610 3.792 -0.182 1
1 499 . 17 1 1 A 38 38 GLY HA3 H 38 3.970 3.798 0.172 1
1 500 . 17 1 1 A 38 38 GLY C C 38 179.800 175.758 4.042 1
1 501 . 17 1 1 A 38 38 GLY CA C 38 47.900 47.227 0.673 1
1 502 . 17 1 1 A 38 38 GLY N N 38 106.600 105.084 1.516 1
1 503 . 17 1 1 A 39 39 ASN H H 39 7.790 7.904 -0.114 1
1 504 . 17 1 1 A 39 39 ASN HA H 39 4.440 4.427 0.013 1
1 509 . 17 1 1 A 39 39 ASN C C 39 178.000 177.559 0.441 1
1 510 . 17 1 1 A 39 39 ASN CA C 39 56.300 56.476 -0.176 1
1 511 . 17 1 1 A 39 39 ASN CB C 39 39.500 38.983 0.517 1
1 513 . 17 1 1 A 39 39 ASN N N 39 120.900 119.651 1.249 1
1 515 . 17 1 1 A 40 40 ALA H H 40 8.260 7.532 0.728 1
1 516 . 17 1 1 A 40 40 ALA HA H 40 3.970 4.068 -0.098 1
1 520 . 17 1 1 A 40 40 ALA C C 40 178.200 179.786 -1.586 1
1 521 . 17 1 1 A 40 40 ALA CA C 40 55.900 55.128 0.772 1
1 522 . 17 1 1 A 40 40 ALA CB C 40 17.200 18.320 -1.120 1
1 523 . 17 1 1 A 40 40 ALA N N 40 123.900 121.810 2.090 1
1 524 . 17 1 1 A 41 41 VAL H H 41 8.410 8.148 0.262 1
1 525 . 17 1 1 A 41 41 VAL HA H 41 3.180 3.382 -0.202 1
1 533 . 17 1 1 A 41 41 VAL C C 41 177.800 178.348 -0.548 1
1 534 . 17 1 1 A 41 41 VAL CA C 41 67.000 67.294 -0.294 1
1 535 . 17 1 1 A 41 41 VAL CB C 41 30.900 31.557 -0.657 1
1 538 . 17 1 1 A 41 41 VAL N N 41 116.900 118.483 -1.583 1
1 539 . 17 1 1 A 42 42 THR H H 42 8.210 8.178 0.032 1
1 540 . 17 1 1 A 42 42 THR HA H 42 3.430 3.916 -0.486 1
1 545 . 17 1 1 A 42 42 THR C C 42 175.900 176.484 -0.584 1
1 546 . 17 1 1 A 42 42 THR CA C 42 67.500 64.453 3.047 1
1 547 . 17 1 1 A 42 42 THR CB C 42 68.000 68.862 -0.862 1
1 549 . 17 1 1 A 42 42 THR N N 42 114.800 113.132 1.668 1
1 550 . 17 1 1 A 43 43 ASN H H 43 7.600 7.591 0.009 1
1 551 . 17 1 1 A 43 43 ASN HA H 43 4.170 4.463 -0.293 1
1 556 . 17 1 1 A 43 43 ASN C C 43 177.300 177.731 -0.431 1
1 557 . 17 1 1 A 43 43 ASN CA C 43 57.000 55.742 1.258 1
1 558 . 17 1 1 A 43 43 ASN CB C 43 39.400 38.433 0.967 1
1 560 . 17 1 1 A 43 43 ASN N N 43 120.300 119.082 1.218 1
1 562 . 17 1 1 A 44 44 ILE H H 44 7.630 7.588 0.042 1
1 563 . 17 1 1 A 44 44 ILE HA H 44 3.770 3.710 0.060 1
1 573 . 17 1 1 A 44 44 ILE C C 44 179.200 178.640 0.560 1
1 574 . 17 1 1 A 44 44 ILE CA C 44 62.100 64.501 -2.401 1
1 575 . 17 1 1 A 44 44 ILE CB C 44 35.700 37.334 -1.634 1
1 579 . 17 1 1 A 44 44 ILE N N 44 119.700 119.343 0.357 1
1 580 . 17 1 1 A 45 45 ILE H H 45 8.460 7.928 0.532 1
1 581 . 17 1 1 A 45 45 ILE HA H 45 3.550 3.826 -0.276 1
1 591 . 17 1 1 A 45 45 ILE C C 45 177.100 177.650 -0.550 1
1 592 . 17 1 1 A 45 45 ILE CA C 45 65.100 64.241 0.859 1
1 593 . 17 1 1 A 45 45 ILE CB C 45 36.600 37.056 -0.456 1
1 597 . 17 1 1 A 45 45 ILE N N 45 120.300 120.769 -0.469 1
1 598 . 17 1 1 A 46 46 ALA H H 46 7.750 7.751 -0.001 1
1 599 . 17 1 1 A 46 46 ALA HA H 46 3.950 4.141 -0.191 1
1 603 . 17 1 1 A 46 46 ALA C C 46 178.000 177.859 0.141 1
1 604 . 17 1 1 A 46 46 ALA CA C 46 54.000 53.800 0.200 1
1 605 . 17 1 1 A 46 46 ALA CB C 46 17.900 18.304 -0.404 1
1 606 . 17 1 1 A 46 46 ALA N N 46 120.000 123.733 -3.733 1
1 607 . 17 1 1 A 47 47 GLN H H 47 7.610 7.713 -0.103 1
1 608 . 17 1 1 A 47 47 GLN HA H 47 4.190 4.374 -0.184 1
1 615 . 17 1 1 A 47 47 GLN C C 47 177.100 174.399 2.701 1
1 616 . 17 1 1 A 47 47 GLN CA C 47 56.000 55.322 0.678 1
1 617 . 17 1 1 A 47 47 GLN CB C 47 29.000 29.541 -0.541 1
1 620 . 17 1 1 A 47 47 GLN N N 47 114.000 114.988 -0.988 1
1 622 . 17 1 1 A 48 48 VAL H H 48 7.740 7.459 0.281 1
1 623 . 17 1 1 A 48 48 VAL HA H 48 4.390 4.319 0.071 1
1 631 . 17 1 1 A 48 48 VAL CA C 48 59.900 58.897 1.003 1
1 632 . 17 1 1 A 48 48 VAL CB C 48 31.900 32.981 -1.081 1
1 635 . 17 1 1 A 48 48 VAL N N 48 122.400 120.601 1.799 1
1 636 . 17 1 1 A 49 49 PRO HA H 49 4.340 4.486 -0.146 1
1 643 . 17 1 1 A 49 49 PRO C C 49 177.700 177.870 -0.170 1
1 644 . 17 1 1 A 49 49 PRO CA C 49 63.700 63.419 0.281 1
1 645 . 17 1 1 A 49 49 PRO CB C 49 32.300 32.501 -0.201 1
1 648 . 17 1 1 A 50 50 GLU H H 50 8.960 8.660 0.300 1
1 649 . 17 1 1 A 50 50 GLU HA H 50 3.580 3.953 -0.373 1
1 654 . 17 1 1 A 50 50 GLU C C 50 178.300 178.759 -0.459 1
1 655 . 17 1 1 A 50 50 GLU CA C 50 60.800 60.012 0.788 1
1 656 . 17 1 1 A 50 50 GLU CB C 50 29.900 29.458 0.442 1
1 658 . 17 1 1 A 50 50 GLU N N 50 124.400 123.418 0.982 1
1 659 . 17 1 1 A 51 51 SER H H 51 8.640 8.340 0.300 1
1 660 . 17 1 1 A 51 51 SER HA H 51 4.240 4.243 -0.003 1
1 663 . 17 1 1 A 51 51 SER C C 51 175.200 174.923 0.277 1
1 664 . 17 1 1 A 51 51 SER CA C 51 60.600 60.837 -0.237 1
1 665 . 17 1 1 A 51 51 SER CB C 51 62.600 63.197 -0.597 1
1 666 . 17 1 1 A 51 51 SER N N 51 112.000 115.669 -3.669 1
1 667 . 17 1 1 A 52 52 LYS H H 52 7.950 8.447 -0.497 1
1 668 . 17 1 1 A 52 52 LYS HA H 52 4.650 4.588 0.062 1
1 677 . 17 1 1 A 52 52 LYS C C 52 176.700 178.128 -1.428 1
1 678 . 17 1 1 A 52 52 LYS CA C 52 55.500 56.222 -0.722 1
1 679 . 17 1 1 A 52 52 LYS CB C 52 34.000 33.394 0.606 1
1 683 . 17 1 1 A 52 52 LYS N N 52 119.600 117.649 1.951 1
1 684 . 17 1 1 A 53 53 ARG H H 53 7.290 7.869 -0.579 1
1 685 . 17 1 1 A 53 53 ARG HA H 53 3.530 4.058 -0.528 1
1 695 . 17 1 1 A 53 53 ARG C C 53 177.300 178.913 -1.613 1
1 696 . 17 1 1 A 53 53 ARG CA C 53 61.700 59.026 2.674 1
1 697 . 17 1 1 A 53 53 ARG CB C 53 30.800 29.796 1.004 1
1 700 . 17 1 1 A 53 53 ARG N N 53 119.000 120.785 -1.785 1
1 702 . 17 1 1 A 54 54 VAL H H 54 8.440 8.122 0.318 1
1 703 . 17 1 1 A 54 54 VAL HA H 54 3.460 3.610 -0.150 1
1 711 . 17 1 1 A 54 54 VAL C C 54 177.400 177.855 -0.455 1
1 712 . 17 1 1 A 54 54 VAL CA C 54 67.200 66.386 0.814 1
1 713 . 17 1 1 A 54 54 VAL CB C 54 31.000 31.275 -0.275 1
1 716 . 17 1 1 A 54 54 VAL N N 54 118.400 119.491 -1.091 1
1 717 . 17 1 1 A 55 55 ALA H H 55 8.120 8.020 0.100 1
1 718 . 17 1 1 A 55 55 ALA HA H 55 4.180 4.073 0.107 1
1 722 . 17 1 1 A 55 55 ALA C C 55 180.700 179.663 1.037 1
1 723 . 17 1 1 A 55 55 ALA CA C 55 55.000 55.342 -0.342 1
1 724 . 17 1 1 A 55 55 ALA CB C 55 17.900 18.290 -0.390 1
1 725 . 17 1 1 A 55 55 ALA N N 55 122.300 122.448 -0.148 1
1 726 . 17 1 1 A 56 56 VAL H H 56 8.040 8.396 -0.356 1
1 727 . 17 1 1 A 56 56 VAL HA H 56 3.780 3.686 0.094 1
1 735 . 17 1 1 A 56 56 VAL C C 56 179.400 178.071 1.329 1
1 736 . 17 1 1 A 56 56 VAL CA C 56 66.700 65.769 0.931 1
1 737 . 17 1 1 A 56 56 VAL CB C 56 31.400 31.726 -0.326 1
1 740 . 17 1 1 A 56 56 VAL N N 56 117.900 116.646 1.254 1
1 741 . 17 1 1 A 57 57 VAL H H 57 8.510 7.863 0.647 1
1 742 . 17 1 1 A 57 57 VAL HA H 57 3.760 3.837 -0.077 1
1 750 . 17 1 1 A 57 57 VAL C C 57 177.900 177.307 0.593 1
1 751 . 17 1 1 A 57 57 VAL CA C 57 66.700 65.273 1.427 1
1 752 . 17 1 1 A 57 57 VAL CB C 57 31.400 31.398 0.002 1
1 755 . 17 1 1 A 57 57 VAL N N 57 121.600 122.549 -0.949 1
1 756 . 17 1 1 A 58 58 ASP H H 58 8.800 8.055 0.745 1
1 757 . 17 1 1 A 58 58 ASP HA H 58 4.420 4.476 -0.056 1
1 760 . 17 1 1 A 58 58 ASP C C 58 178.500 178.651 -0.151 1
1 761 . 17 1 1 A 58 58 ASP CA C 58 57.800 57.587 0.213 1
1 762 . 17 1 1 A 58 58 ASP CB C 58 40.000 41.339 -1.339 1
1 763 . 17 1 1 A 58 58 ASP N N 58 124.800 121.550 3.250 1
1 764 . 17 1 1 A 59 59 ASN H H 59 8.500 8.539 -0.039 1
1 765 . 17 1 1 A 59 59 ASN HA H 59 4.460 4.415 0.045 1
1 770 . 17 1 1 A 59 59 ASN C C 59 177.700 178.126 -0.426 1
1 771 . 17 1 1 A 59 59 ASN CA C 59 56.500 56.504 -0.004 1
1 772 . 17 1 1 A 59 59 ASN CB C 59 38.300 37.998 0.302 1
1 774 . 17 1 1 A 59 59 ASN N N 59 118.800 118.003 0.797 1
1 776 . 17 1 1 A 60 60 PHE H H 60 8.540 8.299 0.241 1
1 777 . 17 1 1 A 60 60 PHE HA H 60 4.210 4.146 0.064 1
1 785 . 17 1 1 A 60 60 PHE C C 60 177.700 177.571 0.129 1
1 786 . 17 1 1 A 60 60 PHE CA C 60 61.600 61.575 0.025 1
1 787 . 17 1 1 A 60 60 PHE CB C 60 39.800 39.097 0.703 1
1 793 . 17 1 1 A 60 60 PHE N N 60 121.800 122.423 -0.623 1
1 794 . 17 1 1 A 61 61 THR H H 61 8.820 8.389 0.431 1
1 795 . 17 1 1 A 61 61 THR HA H 61 3.820 4.030 -0.210 1
1 801 . 17 1 1 A 61 61 THR C C 61 176.700 176.697 0.003 1
1 802 . 17 1 1 A 61 61 THR CA C 61 66.200 66.168 0.032 1
1 803 . 17 1 1 A 61 61 THR CB C 61 68.400 68.612 -0.212 1
1 805 . 17 1 1 A 61 61 THR N N 61 112.200 111.261 0.939 1
1 806 . 17 1 1 A 62 62 LYS H H 62 8.190 8.324 -0.134 1
1 807 . 17 1 1 A 62 62 LYS HA H 62 4.010 3.985 0.025 1
1 816 . 17 1 1 A 62 62 LYS C C 62 179.100 178.202 0.898 1
1 817 . 17 1 1 A 62 62 LYS CA C 62 60.100 59.227 0.873 1
1 818 . 17 1 1 A 62 62 LYS CB C 62 32.500 32.439 0.061 1
1 822 . 17 1 1 A 62 62 LYS N N 62 124.000 121.912 2.088 1
1 823 . 17 1 1 A 63 63 ALA H H 63 7.800 8.221 -0.421 1
1 824 . 17 1 1 A 63 63 ALA HA H 63 4.070 4.034 0.036 1
1 828 . 17 1 1 A 63 63 ALA C C 63 180.400 180.074 0.326 1
1 829 . 17 1 1 A 63 63 ALA CA C 63 54.700 54.975 -0.275 1
1 830 . 17 1 1 A 63 63 ALA CB C 63 17.800 17.930 -0.130 1
1 831 . 17 1 1 A 63 63 ALA N N 63 121.500 121.120 0.380 1
1 832 . 17 1 1 A 64 64 LEU H H 64 7.850 7.919 -0.069 1
1 833 . 17 1 1 A 64 64 LEU HA H 64 3.900 3.853 0.047 1
1 843 . 17 1 1 A 64 64 LEU C C 64 178.600 179.456 -0.856 1
1 844 . 17 1 1 A 64 64 LEU CA C 64 57.300 57.981 -0.681 1
1 845 . 17 1 1 A 64 64 LEU CB C 64 41.900 41.804 0.096 1
1 849 . 17 1 1 A 64 64 LEU N N 64 120.100 118.635 1.465 1
1 850 . 17 1 1 A 65 65 LYS H H 65 7.970 7.821 0.149 1
1 851 . 17 1 1 A 65 65 LYS HA H 65 3.730 3.905 -0.175 1
1 860 . 17 1 1 A 65 65 LYS C C 65 178.300 179.144 -0.844 1
1 861 . 17 1 1 A 65 65 LYS CA C 65 60.400 60.090 0.310 1
1 862 . 17 1 1 A 65 65 LYS CB C 65 31.900 31.977 -0.077 1
1 866 . 17 1 1 A 65 65 LYS N N 65 118.100 117.183 0.917 1
1 867 . 17 1 1 A 66 66 GLN H H 66 7.820 7.855 -0.035 1
1 868 . 17 1 1 A 66 66 GLN HA H 66 3.950 4.053 -0.103 1
1 875 . 17 1 1 A 66 66 GLN C C 66 178.000 178.543 -0.543 1
1 876 . 17 1 1 A 66 66 GLN CA C 66 58.700 58.729 -0.029 1
1 877 . 17 1 1 A 66 66 GLN CB C 66 28.200 28.737 -0.537 1
1 880 . 17 1 1 A 66 66 GLN N N 66 116.800 120.002 -3.202 1
1 882 . 17 1 1 A 67 67 SER H H 67 8.060 8.675 -0.615 1
1 883 . 17 1 1 A 67 67 SER HA H 67 4.150 4.326 -0.176 1
1 886 . 17 1 1 A 67 67 SER C C 67 176.900 175.794 1.106 1
1 887 . 17 1 1 A 67 67 SER CA C 67 61.500 60.845 0.655 1
1 888 . 17 1 1 A 67 67 SER CB C 67 63.000 62.685 0.315 1
1 889 . 17 1 1 A 67 67 SER N N 67 114.200 115.666 -1.466 1
1 890 . 17 1 1 A 68 68 VAL H H 68 7.860 7.461 0.399 1
1 891 . 17 1 1 A 68 68 VAL HA H 68 3.850 3.822 0.028 1
1 899 . 17 1 1 A 68 68 VAL C C 68 177.600 178.182 -0.582 1
1 900 . 17 1 1 A 68 68 VAL CA C 68 64.900 65.212 -0.312 1
1 901 . 17 1 1 A 68 68 VAL CB C 68 32.000 31.920 0.080 1
1 904 . 17 1 1 A 68 68 VAL N N 68 119.300 121.119 -1.819 1
1 905 . 17 1 1 A 69 69 LEU H H 69 7.880 7.739 0.141 1
1 906 . 17 1 1 A 69 69 LEU HA H 69 4.150 4.138 0.012 1
1 916 . 17 1 1 A 69 69 LEU C C 69 178.400 178.982 -0.582 1
1 917 . 17 1 1 A 69 69 LEU CA C 69 56.500 57.607 -1.107 1
1 918 . 17 1 1 A 69 69 LEU CB C 69 41.800 42.710 -0.910 1
1 922 . 17 1 1 A 69 69 LEU N N 69 119.800 118.979 0.821 1
1 923 . 17 1 1 A 70 70 GLU H H 70 7.820 8.706 -0.886 1
1 924 . 17 1 1 A 70 70 GLU HA H 70 4.130 4.307 -0.177 1
1 929 . 17 1 1 A 70 70 GLU C C 70 176.700 176.479 0.221 1
1 930 . 17 1 1 A 70 70 GLU CA C 70 56.900 57.361 -0.461 1
1 931 . 17 1 1 A 70 70 GLU CB C 70 29.800 29.259 0.541 1
1 933 . 17 1 1 A 70 70 GLU N N 70 118.000 116.468 1.532 1
1 934 . 17 1 1 A 71 71 HIS H H 71 7.950 7.650 0.300 1
1 935 . 17 1 1 A 71 71 HIS HA H 71 4.460 4.586 -0.126 1
1 938 . 17 1 1 A 71 71 HIS C C 71 174.700 174.429 0.271 1
1 939 . 17 1 1 A 71 71 HIS CA C 71 56.300 55.123 1.177 1
1 940 . 17 1 1 A 71 71 HIS CB C 71 28.800 29.412 -0.612 1
1 941 . 17 1 1 A 71 71 HIS N N 71 117.800 121.344 -3.544 1
1 942 . 17 1 1 A 72 72 HIS H H 72 8.260 7.972 0.288 1
1 943 . 17 1 1 A 72 72 HIS HA H 72 4.590 4.485 0.105 1
1 946 . 17 1 1 A 72 72 HIS C C 72 174.500 173.182 1.318 1
1 947 . 17 1 1 A 72 72 HIS CA C 72 55.700 55.675 0.025 1
1 948 . 17 1 1 A 72 72 HIS CB C 72 29.600 33.452 -3.852 1
1 949 . 17 1 1 A 72 72 HIS N N 72 119.100 126.414 -7.314 1
1 950 . 17 1 1 A 73 73 HIS H H 73 8.420 7.963 0.457 1
1 951 . 17 1 1 A 73 73 HIS HA H 73 4.580 4.546 0.034 1
1 954 . 17 1 1 A 73 73 HIS C C 73 174.400 174.742 -0.342 1
1 955 . 17 1 1 A 73 73 HIS CA C 73 55.500 55.338 0.162 1
1 956 . 17 1 1 A 73 73 HIS CB C 73 29.600 29.590 0.010 1
1 957 . 17 1 1 A 73 73 HIS N N 73 119.700 122.554 -2.854 1
1 958 . 17 1 1 A 74 74 HIS H H 74 8.470 8.665 -0.195 1
1 959 . 17 1 1 A 74 74 HIS HA H 74 4.570 4.626 -0.056 1
1 962 . 17 1 1 A 74 74 HIS C C 74 173.600 174.487 -0.887 1
1 963 . 17 1 1 A 74 74 HIS CA C 74 55.600 57.022 -1.422 1
1 964 . 17 1 1 A 74 74 HIS CB C 74 29.500 30.897 -1.397 1
1 965 . 17 1 1 A 74 74 HIS N N 74 120.500 122.763 -2.263 1
1 966 . 17 1 1 A 75 75 HIS H H 75 8.290 8.086 0.204 1
1 967 . 17 1 1 A 75 75 HIS HA H 75 4.400 4.086 0.314 1
1 970 . 17 1 1 A 75 75 HIS CA C 75 57.100 58.005 -0.905 1
1 971 . 17 1 1 A 75 75 HIS CB C 75 29.700 28.209 1.491 1
1 1 . 18 1 1 A 2 2 PRO HA H 2 4.400 4.638 -0.238 1
1 8 . 18 1 1 A 2 2 PRO C C 2 172.300 176.065 -3.765 1
1 9 . 18 1 1 A 2 2 PRO CA C 2 62.200 62.866 -0.666 1
1 10 . 18 1 1 A 2 2 PRO CB C 2 32.600 32.284 0.316 1
1 13 . 18 1 1 A 3 3 ILE H H 3 8.630 8.593 0.037 1
1 14 . 18 1 1 A 3 3 ILE HA H 3 4.190 4.385 -0.195 1
1 24 . 18 1 1 A 3 3 ILE C C 3 176.100 176.654 -0.554 1
1 25 . 18 1 1 A 3 3 ILE CA C 3 61.500 60.123 1.377 1
1 26 . 18 1 1 A 3 3 ILE CB C 3 38.600 39.151 -0.551 1
1 30 . 18 1 1 A 3 3 ILE N N 3 120.700 122.604 -1.904 1
1 31 . 18 1 1 A 4 4 VAL H H 4 8.380 8.288 0.092 1
1 32 . 18 1 1 A 4 4 VAL HA H 4 4.140 3.946 0.194 1
1 40 . 18 1 1 A 4 4 VAL C C 4 175.800 175.900 -0.100 1
1 41 . 18 1 1 A 4 4 VAL CA C 4 62.100 64.628 -2.528 1
1 42 . 18 1 1 A 4 4 VAL CB C 4 32.800 31.480 1.320 1
1 45 . 18 1 1 A 4 4 VAL N N 4 125.500 121.781 3.719 1
1 46 . 18 1 1 A 5 5 SER H H 5 8.450 7.573 0.877 1
1 47 . 18 1 1 A 5 5 SER HA H 5 4.420 4.954 -0.534 1
1 50 . 18 1 1 A 5 5 SER C C 5 174.300 173.458 0.842 1
1 51 . 18 1 1 A 5 5 SER CA C 5 57.900 57.711 0.189 1
1 52 . 18 1 1 A 5 5 SER CB C 5 64.000 65.052 -1.052 1
1 53 . 18 1 1 A 5 5 SER N N 5 120.500 116.884 3.616 1
1 54 . 18 1 1 A 6 6 LYS H H 6 8.330 8.790 -0.460 1
1 55 . 18 1 1 A 6 6 LYS HA H 6 4.150 3.948 0.202 1
1 64 . 18 1 1 A 6 6 LYS C C 6 176.000 175.122 0.878 1
1 65 . 18 1 1 A 6 6 LYS CA C 6 56.800 57.526 -0.726 1
1 66 . 18 1 1 A 6 6 LYS CB C 6 33.000 32.340 0.660 1
1 70 . 18 1 1 A 6 6 LYS N N 6 123.400 125.682 -2.282 1
1 71 . 18 1 1 A 7 7 TYR H H 7 8.150 7.538 0.612 1
1 72 . 18 1 1 A 7 7 TYR HA H 7 4.640 5.273 -0.633 1
1 79 . 18 1 1 A 7 7 TYR C C 7 175.400 175.217 0.183 1
1 80 . 18 1 1 A 7 7 TYR CA C 7 56.700 56.814 -0.114 1
1 81 . 18 1 1 A 7 7 TYR CB C 7 39.300 42.400 -3.100 1
1 86 . 18 1 1 A 7 7 TYR N N 7 120.000 115.868 4.132 1
1 87 . 18 1 1 A 8 8 SER H H 8 8.360 9.027 -0.667 1
1 88 . 18 1 1 A 8 8 SER HA H 8 4.400 4.536 -0.136 1
1 91 . 18 1 1 A 8 8 SER C C 8 174.700 175.427 -0.727 1
1 92 . 18 1 1 A 8 8 SER CA C 8 57.600 59.526 -1.926 1
1 93 . 18 1 1 A 8 8 SER CB C 8 64.000 63.463 0.537 1
1 94 . 18 1 1 A 8 8 SER N N 8 118.100 121.209 -3.109 1
1 95 . 18 1 1 A 9 9 ASN H H 9 8.900 8.953 -0.053 1
1 96 . 18 1 1 A 9 9 ASN HA H 9 4.400 4.406 -0.006 1
1 101 . 18 1 1 A 9 9 ASN C C 9 176.800 177.427 -0.627 1
1 102 . 18 1 1 A 9 9 ASN CA C 9 55.900 57.254 -1.354 1
1 103 . 18 1 1 A 9 9 ASN CB C 9 38.300 38.206 0.094 1
1 105 . 18 1 1 A 9 9 ASN N N 9 122.300 124.219 -1.919 1
1 107 . 18 1 1 A 10 10 GLU H H 10 8.740 8.183 0.557 1
1 108 . 18 1 1 A 10 10 GLU HA H 10 4.000 4.016 -0.016 1
1 113 . 18 1 1 A 10 10 GLU C C 10 178.500 179.268 -0.768 1
1 114 . 18 1 1 A 10 10 GLU CA C 10 59.900 59.431 0.469 1
1 115 . 18 1 1 A 10 10 GLU CB C 10 29.000 29.389 -0.389 1
1 117 . 18 1 1 A 10 10 GLU N N 10 119.000 120.063 -1.063 1
1 118 . 18 1 1 A 11 11 ARG H H 11 7.750 7.789 -0.039 1
1 119 . 18 1 1 A 11 11 ARG HA H 11 4.070 4.131 -0.061 1
1 127 . 18 1 1 A 11 11 ARG C C 11 178.000 178.913 -0.913 1
1 128 . 18 1 1 A 11 11 ARG CA C 11 58.800 58.938 -0.138 1
1 129 . 18 1 1 A 11 11 ARG CB C 11 30.100 29.831 0.269 1
1 132 . 18 1 1 A 11 11 ARG N N 11 121.500 120.704 0.796 1
1 134 . 18 1 1 A 12 12 VAL H H 12 7.830 8.161 -0.331 1
1 135 . 18 1 1 A 12 12 VAL HA H 12 3.420 3.542 -0.122 1
1 143 . 18 1 1 A 12 12 VAL C C 12 177.400 177.791 -0.391 1
1 144 . 18 1 1 A 12 12 VAL CA C 12 67.000 66.400 0.600 1
1 145 . 18 1 1 A 12 12 VAL CB C 12 32.100 31.483 0.617 1
1 148 . 18 1 1 A 12 12 VAL N N 12 118.800 119.546 -0.746 1
1 149 . 18 1 1 A 13 13 GLU H H 13 8.220 8.768 -0.548 1
1 150 . 18 1 1 A 13 13 GLU HA H 13 3.890 3.957 -0.067 1
1 155 . 18 1 1 A 13 13 GLU C C 13 178.900 178.803 0.097 1
1 156 . 18 1 1 A 13 13 GLU CA C 13 59.500 60.068 -0.568 1
1 157 . 18 1 1 A 13 13 GLU CB C 13 29.000 29.311 -0.311 1
1 159 . 18 1 1 A 13 13 GLU N N 13 116.800 120.093 -3.293 1
1 160 . 18 1 1 A 14 14 LYS H H 14 7.600 7.976 -0.376 1
1 161 . 18 1 1 A 14 14 LYS HA H 14 4.030 4.168 -0.138 1
1 170 . 18 1 1 A 14 14 LYS C C 14 177.700 178.741 -1.041 1
1 171 . 18 1 1 A 14 14 LYS CA C 14 59.100 58.717 0.383 1
1 172 . 18 1 1 A 14 14 LYS CB C 14 32.100 32.441 -0.341 1
1 176 . 18 1 1 A 14 14 LYS N N 14 120.400 119.651 0.749 1
1 177 . 18 1 1 A 15 15 ILE H H 15 7.830 8.151 -0.321 1
1 178 . 18 1 1 A 15 15 ILE HA H 15 3.630 3.608 0.022 1
1 188 . 18 1 1 A 15 15 ILE C C 15 178.200 178.380 -0.180 1
1 189 . 18 1 1 A 15 15 ILE CA C 15 65.700 65.650 0.050 1
1 190 . 18 1 1 A 15 15 ILE CB C 15 37.500 37.931 -0.431 1
1 194 . 18 1 1 A 15 15 ILE N N 15 119.700 119.482 0.218 1
1 195 . 18 1 1 A 16 16 ILE H H 16 8.080 8.325 -0.245 1
1 196 . 18 1 1 A 16 16 ILE HA H 16 3.360 3.508 -0.148 1
1 206 . 18 1 1 A 16 16 ILE C C 16 177.500 178.163 -0.663 1
1 207 . 18 1 1 A 16 16 ILE CA C 16 66.600 65.550 1.050 1
1 208 . 18 1 1 A 16 16 ILE CB C 16 38.300 37.897 0.403 1
1 212 . 18 1 1 A 16 16 ILE N N 16 117.900 121.298 -3.398 1
1 213 . 18 1 1 A 17 17 GLN H H 17 8.010 8.240 -0.230 1
1 214 . 18 1 1 A 17 17 GLN HA H 17 3.830 3.944 -0.114 1
1 221 . 18 1 1 A 17 17 GLN C C 17 178.000 177.927 0.073 1
1 222 . 18 1 1 A 17 17 GLN CA C 17 58.400 59.145 -0.745 1
1 223 . 18 1 1 A 17 17 GLN CB C 17 28.100 28.220 -0.120 1
1 225 . 18 1 1 A 17 17 GLN N N 17 117.900 120.197 -2.297 1
1 227 . 18 1 1 A 18 18 ASP H H 18 8.710 8.634 0.076 1
1 228 . 18 1 1 A 18 18 ASP HA H 18 4.400 4.725 -0.325 1
1 231 . 18 1 1 A 18 18 ASP C C 18 179.800 179.066 0.734 1
1 232 . 18 1 1 A 18 18 ASP CA C 18 57.400 57.311 0.089 1
1 233 . 18 1 1 A 18 18 ASP CB C 18 39.900 40.491 -0.591 1
1 234 . 18 1 1 A 18 18 ASP N N 18 121.000 119.946 1.054 1
1 235 . 18 1 1 A 19 19 LEU H H 19 8.260 8.137 0.123 1
1 236 . 18 1 1 A 19 19 LEU HA H 19 4.010 4.030 -0.020 1
1 246 . 18 1 1 A 19 19 LEU C C 19 178.200 179.456 -1.256 1
1 247 . 18 1 1 A 19 19 LEU CA C 19 58.100 58.132 -0.032 1
1 248 . 18 1 1 A 19 19 LEU CB C 19 42.400 41.571 0.829 1
1 252 . 18 1 1 A 19 19 LEU N N 19 120.800 120.871 -0.071 1
1 253 . 18 1 1 A 20 20 LEU H H 20 8.160 8.223 -0.063 1
1 254 . 18 1 1 A 20 20 LEU HA H 20 3.940 3.949 -0.009 1
1 264 . 18 1 1 A 20 20 LEU C C 20 180.100 179.062 1.038 1
1 265 . 18 1 1 A 20 20 LEU CA C 20 57.900 58.002 -0.102 1
1 266 . 18 1 1 A 20 20 LEU CB C 20 40.800 40.639 0.161 1
1 270 . 18 1 1 A 20 20 LEU N N 20 117.300 119.078 -1.778 1
1 271 . 18 1 1 A 21 21 ASP H H 21 9.000 8.476 0.524 1
1 272 . 18 1 1 A 21 21 ASP HA H 21 4.420 4.415 0.005 1
1 275 . 18 1 1 A 21 21 ASP C C 21 179.000 178.961 0.039 1
1 276 . 18 1 1 A 21 21 ASP CA C 21 57.300 57.562 -0.262 1
1 277 . 18 1 1 A 21 21 ASP CB C 21 40.500 40.638 -0.138 1
1 278 . 18 1 1 A 21 21 ASP N N 21 120.000 120.266 -0.266 1
1 279 . 18 1 1 A 22 22 VAL H H 22 7.370 7.755 -0.385 1
1 280 . 18 1 1 A 22 22 VAL HA H 22 3.600 3.561 0.039 1
1 288 . 18 1 1 A 22 22 VAL C C 22 177.700 178.209 -0.509 1
1 289 . 18 1 1 A 22 22 VAL CA C 22 66.300 66.627 -0.327 1
1 290 . 18 1 1 A 22 22 VAL CB C 22 32.000 31.448 0.552 1
1 293 . 18 1 1 A 22 22 VAL N N 22 119.800 120.155 -0.355 1
1 294 . 18 1 1 A 23 23 LEU H H 23 6.880 7.960 -1.080 1
1 295 . 18 1 1 A 23 23 LEU HA H 23 3.880 4.058 -0.178 1
1 305 . 18 1 1 A 23 23 LEU C C 23 179.100 179.412 -0.312 1
1 306 . 18 1 1 A 23 23 LEU CA C 23 57.100 57.831 -0.731 1
1 307 . 18 1 1 A 23 23 LEU CB C 23 40.600 41.808 -1.208 1
1 311 . 18 1 1 A 23 23 LEU N N 23 116.500 118.883 -2.383 1
1 312 . 18 1 1 A 24 24 VAL H H 24 8.430 8.623 -0.193 1
1 313 . 18 1 1 A 24 24 VAL HA H 24 3.780 3.626 0.154 1
1 321 . 18 1 1 A 24 24 VAL C C 24 180.800 177.870 2.930 1
1 322 . 18 1 1 A 24 24 VAL CA C 24 65.900 66.842 -0.942 1
1 323 . 18 1 1 A 24 24 VAL CB C 24 32.200 31.295 0.905 1
1 326 . 18 1 1 A 24 24 VAL N N 24 120.300 120.000 0.300 1
1 327 . 18 1 1 A 25 25 LYS H H 25 8.380 8.168 0.212 1
1 328 . 18 1 1 A 25 25 LYS HA H 25 4.030 3.977 0.053 1
1 337 . 18 1 1 A 25 25 LYS C C 25 178.500 178.474 0.026 1
1 338 . 18 1 1 A 25 25 LYS CA C 25 59.400 59.372 0.028 1
1 339 . 18 1 1 A 25 25 LYS CB C 25 32.300 32.499 -0.199 1
1 343 . 18 1 1 A 25 25 LYS N N 25 121.900 119.935 1.965 1
1 344 . 18 1 1 A 26 26 GLU H H 26 7.360 7.761 -0.401 1
1 345 . 18 1 1 A 26 26 GLU HA H 26 4.330 4.389 -0.059 1
1 350 . 18 1 1 A 26 26 GLU C C 26 175.000 175.804 -0.804 1
1 351 . 18 1 1 A 26 26 GLU CA C 26 56.000 56.385 -0.385 1
1 352 . 18 1 1 A 26 26 GLU CB C 26 29.800 30.252 -0.452 1
1 354 . 18 1 1 A 26 26 GLU N N 26 115.000 115.672 -0.672 1
1 355 . 18 1 1 A 27 27 GLU H H 27 7.980 7.743 0.237 1
1 356 . 18 1 1 A 27 27 GLU HA H 27 3.950 3.822 0.128 1
1 361 . 18 1 1 A 27 27 GLU C C 27 175.900 175.108 0.792 1
1 362 . 18 1 1 A 27 27 GLU CA C 27 56.900 57.333 -0.433 1
1 363 . 18 1 1 A 27 27 GLU CB C 27 27.100 27.251 -0.151 1
1 365 . 18 1 1 A 27 27 GLU N N 27 116.300 117.071 -0.771 1
1 366 . 18 1 1 A 28 28 VAL H H 28 7.370 7.427 -0.057 1
1 367 . 18 1 1 A 28 28 VAL HA H 28 4.200 4.163 0.037 1
1 375 . 18 1 1 A 28 28 VAL C C 28 176.700 175.835 0.865 1
1 376 . 18 1 1 A 28 28 VAL CA C 28 61.600 61.660 -0.060 1
1 377 . 18 1 1 A 28 28 VAL CB C 28 32.600 32.801 -0.201 1
1 380 . 18 1 1 A 28 28 VAL N N 28 112.200 115.852 -3.652 1
1 381 . 18 1 1 A 29 29 THR H H 29 7.400 8.750 -1.350 1
1 382 . 18 1 1 A 29 29 THR HA H 29 4.640 4.796 -0.156 1
1 387 . 18 1 1 A 29 29 THR CA C 29 59.900 60.306 -0.406 1
1 388 . 18 1 1 A 29 29 THR CB C 29 67.900 68.898 -0.998 1
1 390 . 18 1 1 A 29 29 THR N N 29 113.900 114.310 -0.410 1
1 391 . 18 1 1 A 30 30 PRO HA H 30 4.130 4.224 -0.094 1
1 398 . 18 1 1 A 30 30 PRO C C 30 177.600 177.549 0.051 1
1 399 . 18 1 1 A 30 30 PRO CA C 30 66.300 65.785 0.515 1
1 400 . 18 1 1 A 30 30 PRO CB C 30 31.500 31.787 -0.287 1
1 403 . 18 1 1 A 31 31 ASP H H 31 8.390 8.189 0.201 1
1 404 . 18 1 1 A 31 31 ASP HA H 31 4.240 4.422 -0.182 1
1 407 . 18 1 1 A 31 31 ASP C C 31 178.900 178.502 0.398 1
1 408 . 18 1 1 A 31 31 ASP CA C 31 57.000 57.090 -0.090 1
1 409 . 18 1 1 A 31 31 ASP CB C 31 40.000 41.401 -1.401 1
1 410 . 18 1 1 A 31 31 ASP N N 31 113.200 117.489 -4.289 1
1 411 . 18 1 1 A 32 32 LEU H H 32 7.460 7.925 -0.465 1
1 412 . 18 1 1 A 32 32 LEU HA H 32 4.190 4.083 0.107 1
1 422 . 18 1 1 A 32 32 LEU C C 32 178.900 178.430 0.470 1
1 423 . 18 1 1 A 32 32 LEU CA C 32 57.000 57.789 -0.789 1
1 424 . 18 1 1 A 32 32 LEU CB C 32 41.300 41.157 0.143 1
1 428 . 18 1 1 A 32 32 LEU N N 32 123.000 120.622 2.378 1
1 429 . 18 1 1 A 33 33 ALA H H 33 8.930 8.451 0.479 1
1 430 . 18 1 1 A 33 33 ALA HA H 33 3.730 4.140 -0.410 1
1 434 . 18 1 1 A 33 33 ALA C C 33 179.800 180.126 -0.326 1
1 435 . 18 1 1 A 33 33 ALA CA C 33 55.900 55.361 0.539 1
1 436 . 18 1 1 A 33 33 ALA CB C 33 19.100 18.345 0.755 1
1 437 . 18 1 1 A 33 33 ALA N N 33 122.700 120.734 1.966 1
1 438 . 18 1 1 A 34 34 LEU H H 34 8.420 8.155 0.265 1
1 439 . 18 1 1 A 34 34 LEU HA H 34 4.010 3.896 0.114 1
1 449 . 18 1 1 A 34 34 LEU C C 34 179.700 178.541 1.159 1
1 450 . 18 1 1 A 34 34 LEU CA C 34 58.200 58.166 0.034 1
1 451 . 18 1 1 A 34 34 LEU CB C 34 41.200 41.536 -0.336 1
1 455 . 18 1 1 A 34 34 LEU N N 34 115.800 118.328 -2.528 1
1 456 . 18 1 1 A 35 35 MET H H 35 7.730 8.694 -0.964 1
1 457 . 18 1 1 A 35 35 MET HA H 35 4.240 4.145 0.095 1
1 465 . 18 1 1 A 35 35 MET C C 35 179.500 178.157 1.343 1
1 466 . 18 1 1 A 35 35 MET CA C 35 59.300 58.608 0.692 1
1 467 . 18 1 1 A 35 35 MET CB C 35 32.900 32.126 0.774 1
1 470 . 18 1 1 A 35 35 MET N N 35 121.400 118.448 2.952 1
1 471 . 18 1 1 A 36 36 CYS H H 36 8.420 8.410 0.010 1
1 472 . 18 1 1 A 36 36 CYS HA H 36 3.950 4.138 -0.188 1
1 475 . 18 1 1 A 36 36 CYS C C 36 177.000 177.145 -0.145 1
1 476 . 18 1 1 A 36 36 CYS CA C 36 64.200 63.376 0.824 1
1 477 . 18 1 1 A 36 36 CYS CB C 36 27.200 27.991 -0.791 1
1 478 . 18 1 1 A 36 36 CYS N N 36 118.600 117.756 0.844 1
1 479 . 18 1 1 A 37 37 LEU H H 37 9.020 8.587 0.433 1
1 480 . 18 1 1 A 37 37 LEU HA H 37 3.940 3.996 -0.056 1
1 490 . 18 1 1 A 37 37 LEU C C 37 179.100 179.286 -0.186 1
1 491 . 18 1 1 A 37 37 LEU CA C 37 58.300 58.486 -0.186 1
1 492 . 18 1 1 A 37 37 LEU CB C 37 42.200 42.053 0.147 1
1 496 . 18 1 1 A 37 37 LEU N N 37 119.600 120.939 -1.339 1
1 497 . 18 1 1 A 38 38 GLY H H 38 8.940 8.512 0.428 1
1 498 . 18 1 1 A 38 38 GLY HA2 H 38 3.610 3.794 -0.184 1
1 499 . 18 1 1 A 38 38 GLY HA3 H 38 3.970 3.799 0.171 1
1 500 . 18 1 1 A 38 38 GLY C C 38 179.800 175.786 4.014 1
1 501 . 18 1 1 A 38 38 GLY CA C 38 47.900 47.274 0.626 1
1 502 . 18 1 1 A 38 38 GLY N N 38 106.600 105.022 1.578 1
1 503 . 18 1 1 A 39 39 ASN H H 39 7.790 8.050 -0.260 1
1 504 . 18 1 1 A 39 39 ASN HA H 39 4.440 4.432 0.008 1
1 509 . 18 1 1 A 39 39 ASN C C 39 178.000 177.548 0.452 1
1 510 . 18 1 1 A 39 39 ASN CA C 39 56.300 56.454 -0.154 1
1 511 . 18 1 1 A 39 39 ASN CB C 39 39.500 38.995 0.505 1
1 513 . 18 1 1 A 39 39 ASN N N 39 120.900 119.657 1.243 1
1 515 . 18 1 1 A 40 40 ALA H H 40 8.260 7.689 0.571 1
1 516 . 18 1 1 A 40 40 ALA HA H 40 3.970 4.069 -0.099 1
1 520 . 18 1 1 A 40 40 ALA C C 40 178.200 179.829 -1.629 1
1 521 . 18 1 1 A 40 40 ALA CA C 40 55.900 55.174 0.726 1
1 522 . 18 1 1 A 40 40 ALA CB C 40 17.200 18.361 -1.161 1
1 523 . 18 1 1 A 40 40 ALA N N 40 123.900 121.767 2.133 1
1 524 . 18 1 1 A 41 41 VAL H H 41 8.410 8.400 0.010 1
1 525 . 18 1 1 A 41 41 VAL HA H 41 3.180 3.384 -0.204 1
1 533 . 18 1 1 A 41 41 VAL C C 41 177.800 178.697 -0.897 1
1 534 . 18 1 1 A 41 41 VAL CA C 41 67.000 67.415 -0.415 1
1 535 . 18 1 1 A 41 41 VAL CB C 41 30.900 31.580 -0.680 1
1 538 . 18 1 1 A 41 41 VAL N N 41 116.900 118.211 -1.311 1
1 539 . 18 1 1 A 42 42 THR H H 42 8.210 8.169 0.041 1
1 540 . 18 1 1 A 42 42 THR HA H 42 3.430 3.715 -0.285 1
1 545 . 18 1 1 A 42 42 THR C C 42 175.900 176.163 -0.263 1
1 546 . 18 1 1 A 42 42 THR CA C 42 67.500 67.289 0.211 1
1 547 . 18 1 1 A 42 42 THR CB C 42 68.000 68.184 -0.184 1
1 549 . 18 1 1 A 42 42 THR N N 42 114.800 116.626 -1.826 1
1 550 . 18 1 1 A 43 43 ASN H H 43 7.600 8.299 -0.699 1
1 551 . 18 1 1 A 43 43 ASN HA H 43 4.170 4.425 -0.255 1
1 556 . 18 1 1 A 43 43 ASN C C 43 177.300 177.322 -0.022 1
1 557 . 18 1 1 A 43 43 ASN CA C 43 57.000 56.514 0.486 1
1 558 . 18 1 1 A 43 43 ASN CB C 43 39.400 39.945 -0.545 1
1 560 . 18 1 1 A 43 43 ASN N N 43 120.300 119.023 1.277 1
1 562 . 18 1 1 A 44 44 ILE H H 44 7.630 7.676 -0.046 1
1 563 . 18 1 1 A 44 44 ILE HA H 44 3.770 3.700 0.070 1
1 573 . 18 1 1 A 44 44 ILE C C 44 179.200 178.511 0.689 1
1 574 . 18 1 1 A 44 44 ILE CA C 44 62.100 64.448 -2.348 1
1 575 . 18 1 1 A 44 44 ILE CB C 44 35.700 37.952 -2.252 1
1 579 . 18 1 1 A 44 44 ILE N N 44 119.700 118.934 0.766 1
1 580 . 18 1 1 A 45 45 ILE H H 45 8.460 8.460 0.000 1
1 581 . 18 1 1 A 45 45 ILE HA H 45 3.550 3.714 -0.164 1
1 591 . 18 1 1 A 45 45 ILE C C 45 177.100 178.570 -1.470 1
1 592 . 18 1 1 A 45 45 ILE CA C 45 65.100 64.878 0.222 1
1 593 . 18 1 1 A 45 45 ILE CB C 45 36.600 36.822 -0.222 1
1 597 . 18 1 1 A 45 45 ILE N N 45 120.300 119.469 0.831 1
1 598 . 18 1 1 A 46 46 ALA H H 46 7.750 7.890 -0.140 1
1 599 . 18 1 1 A 46 46 ALA HA H 46 3.950 4.035 -0.085 1
1 603 . 18 1 1 A 46 46 ALA C C 46 178.000 178.778 -0.778 1
1 604 . 18 1 1 A 46 46 ALA CA C 46 54.000 54.441 -0.441 1
1 605 . 18 1 1 A 46 46 ALA CB C 46 17.900 18.032 -0.132 1
1 606 . 18 1 1 A 46 46 ALA N N 46 120.000 122.759 -2.759 1
1 607 . 18 1 1 A 47 47 GLN H H 47 7.610 7.597 0.013 1
1 608 . 18 1 1 A 47 47 GLN HA H 47 4.190 4.378 -0.188 1
1 615 . 18 1 1 A 47 47 GLN C C 47 177.100 176.029 1.071 1
1 616 . 18 1 1 A 47 47 GLN CA C 47 56.000 56.026 -0.026 1
1 617 . 18 1 1 A 47 47 GLN CB C 47 29.000 29.345 -0.345 1
1 620 . 18 1 1 A 47 47 GLN N N 47 114.000 114.611 -0.611 1
1 622 . 18 1 1 A 48 48 VAL H H 48 7.740 7.633 0.107 1
1 623 . 18 1 1 A 48 48 VAL HA H 48 4.390 4.169 0.221 1
1 631 . 18 1 1 A 48 48 VAL CA C 48 59.900 60.219 -0.319 1
1 632 . 18 1 1 A 48 48 VAL CB C 48 31.900 32.225 -0.325 1
1 635 . 18 1 1 A 48 48 VAL N N 48 122.400 122.053 0.347 1
1 636 . 18 1 1 A 49 49 PRO HA H 49 4.340 4.597 -0.257 1
1 643 . 18 1 1 A 49 49 PRO C C 49 177.700 177.753 -0.053 1
1 644 . 18 1 1 A 49 49 PRO CA C 49 63.700 63.045 0.655 1
1 645 . 18 1 1 A 49 49 PRO CB C 49 32.300 32.200 0.100 1
1 648 . 18 1 1 A 50 50 GLU H H 50 8.960 9.059 -0.099 1
1 649 . 18 1 1 A 50 50 GLU HA H 50 3.580 3.943 -0.363 1
1 654 . 18 1 1 A 50 50 GLU C C 50 178.300 178.329 -0.029 1
1 655 . 18 1 1 A 50 50 GLU CA C 50 60.800 59.549 1.251 1
1 656 . 18 1 1 A 50 50 GLU CB C 50 29.900 29.815 0.085 1
1 658 . 18 1 1 A 50 50 GLU N N 50 124.400 125.068 -0.668 1
1 659 . 18 1 1 A 51 51 SER H H 51 8.640 8.134 0.506 1
1 660 . 18 1 1 A 51 51 SER HA H 51 4.240 4.208 0.032 1
1 663 . 18 1 1 A 51 51 SER C C 51 175.200 175.017 0.183 1
1 664 . 18 1 1 A 51 51 SER CA C 51 60.600 60.990 -0.390 1
1 665 . 18 1 1 A 51 51 SER CB C 51 62.600 63.182 -0.582 1
1 666 . 18 1 1 A 51 51 SER N N 51 112.000 114.142 -2.142 1
1 667 . 18 1 1 A 52 52 LYS H H 52 7.950 8.219 -0.269 1
1 668 . 18 1 1 A 52 52 LYS HA H 52 4.650 4.552 0.098 1
1 677 . 18 1 1 A 52 52 LYS C C 52 176.700 178.068 -1.368 1
1 678 . 18 1 1 A 52 52 LYS CA C 52 55.500 56.328 -0.828 1
1 679 . 18 1 1 A 52 52 LYS CB C 52 34.000 33.113 0.887 1
1 683 . 18 1 1 A 52 52 LYS N N 52 119.600 117.713 1.887 1
1 684 . 18 1 1 A 53 53 ARG H H 53 7.290 7.918 -0.628 1
1 685 . 18 1 1 A 53 53 ARG HA H 53 3.530 4.093 -0.563 1
1 695 . 18 1 1 A 53 53 ARG C C 53 177.300 178.788 -1.488 1
1 696 . 18 1 1 A 53 53 ARG CA C 53 61.700 58.537 3.163 1
1 697 . 18 1 1 A 53 53 ARG CB C 53 30.800 29.863 0.937 1
1 700 . 18 1 1 A 53 53 ARG N N 53 119.000 120.598 -1.598 1
1 702 . 18 1 1 A 54 54 VAL H H 54 8.440 7.447 0.993 1
1 703 . 18 1 1 A 54 54 VAL HA H 54 3.460 3.618 -0.158 1
1 711 . 18 1 1 A 54 54 VAL C C 54 177.400 177.976 -0.576 1
1 712 . 18 1 1 A 54 54 VAL CA C 54 67.200 66.365 0.835 1
1 713 . 18 1 1 A 54 54 VAL CB C 54 31.000 31.607 -0.607 1
1 716 . 18 1 1 A 54 54 VAL N N 54 118.400 120.071 -1.671 1
1 717 . 18 1 1 A 55 55 ALA H H 55 8.120 8.021 0.099 1
1 718 . 18 1 1 A 55 55 ALA HA H 55 4.180 4.070 0.110 1
1 722 . 18 1 1 A 55 55 ALA C C 55 180.700 179.503 1.197 1
1 723 . 18 1 1 A 55 55 ALA CA C 55 55.000 55.416 -0.416 1
1 724 . 18 1 1 A 55 55 ALA CB C 55 17.900 18.373 -0.473 1
1 725 . 18 1 1 A 55 55 ALA N N 55 122.300 122.070 0.230 1
1 726 . 18 1 1 A 56 56 VAL H H 56 8.040 7.722 0.318 1
1 727 . 18 1 1 A 56 56 VAL HA H 56 3.780 3.761 0.019 1
1 735 . 18 1 1 A 56 56 VAL C C 56 179.400 178.101 1.299 1
1 736 . 18 1 1 A 56 56 VAL CA C 56 66.700 65.538 1.162 1
1 737 . 18 1 1 A 56 56 VAL CB C 56 31.400 31.714 -0.314 1
1 740 . 18 1 1 A 56 56 VAL N N 56 117.900 116.632 1.268 1
1 741 . 18 1 1 A 57 57 VAL H H 57 8.510 7.668 0.842 1
1 742 . 18 1 1 A 57 57 VAL HA H 57 3.760 3.802 -0.042 1
1 750 . 18 1 1 A 57 57 VAL C C 57 177.900 177.262 0.638 1
1 751 . 18 1 1 A 57 57 VAL CA C 57 66.700 65.274 1.426 1
1 752 . 18 1 1 A 57 57 VAL CB C 57 31.400 31.429 -0.029 1
1 755 . 18 1 1 A 57 57 VAL N N 57 121.600 122.347 -0.747 1
1 756 . 18 1 1 A 58 58 ASP H H 58 8.800 7.997 0.803 1
1 757 . 18 1 1 A 58 58 ASP HA H 58 4.420 4.547 -0.127 1
1 760 . 18 1 1 A 58 58 ASP C C 58 178.500 178.728 -0.228 1
1 761 . 18 1 1 A 58 58 ASP CA C 58 57.800 57.234 0.566 1
1 762 . 18 1 1 A 58 58 ASP CB C 58 40.000 40.962 -0.962 1
1 763 . 18 1 1 A 58 58 ASP N N 58 124.800 121.621 3.179 1
1 764 . 18 1 1 A 59 59 ASN H H 59 8.500 8.493 0.007 1
1 765 . 18 1 1 A 59 59 ASN HA H 59 4.460 4.430 0.030 1
1 770 . 18 1 1 A 59 59 ASN C C 59 177.700 177.837 -0.137 1
1 771 . 18 1 1 A 59 59 ASN CA C 59 56.500 56.446 0.054 1
1 772 . 18 1 1 A 59 59 ASN CB C 59 38.300 38.028 0.272 1
1 774 . 18 1 1 A 59 59 ASN N N 59 118.800 117.503 1.297 1
1 776 . 18 1 1 A 60 60 PHE H H 60 8.540 8.428 0.112 1
1 777 . 18 1 1 A 60 60 PHE HA H 60 4.210 4.083 0.127 1
1 785 . 18 1 1 A 60 60 PHE C C 60 177.700 177.491 0.209 1
1 786 . 18 1 1 A 60 60 PHE CA C 60 61.600 61.577 0.023 1
1 787 . 18 1 1 A 60 60 PHE CB C 60 39.800 39.371 0.429 1
1 793 . 18 1 1 A 60 60 PHE N N 60 121.800 121.980 -0.180 1
1 794 . 18 1 1 A 61 61 THR H H 61 8.820 8.319 0.501 1
1 795 . 18 1 1 A 61 61 THR HA H 61 3.820 4.060 -0.240 1
1 801 . 18 1 1 A 61 61 THR C C 61 176.700 176.697 0.003 1
1 802 . 18 1 1 A 61 61 THR CA C 61 66.200 66.222 -0.022 1
1 803 . 18 1 1 A 61 61 THR CB C 61 68.400 68.528 -0.128 1
1 805 . 18 1 1 A 61 61 THR N N 61 112.200 111.149 1.051 1
1 806 . 18 1 1 A 62 62 LYS H H 62 8.190 8.282 -0.092 1
1 807 . 18 1 1 A 62 62 LYS HA H 62 4.010 3.991 0.019 1
1 816 . 18 1 1 A 62 62 LYS C C 62 179.100 178.500 0.600 1
1 817 . 18 1 1 A 62 62 LYS CA C 62 60.100 59.251 0.849 1
1 818 . 18 1 1 A 62 62 LYS CB C 62 32.500 32.410 0.090 1
1 822 . 18 1 1 A 62 62 LYS N N 62 124.000 121.946 2.054 1
1 823 . 18 1 1 A 63 63 ALA H H 63 7.800 8.151 -0.351 1
1 824 . 18 1 1 A 63 63 ALA HA H 63 4.070 4.055 0.015 1
1 828 . 18 1 1 A 63 63 ALA C C 63 180.400 179.705 0.695 1
1 829 . 18 1 1 A 63 63 ALA CA C 63 54.700 54.882 -0.182 1
1 830 . 18 1 1 A 63 63 ALA CB C 63 17.800 18.301 -0.501 1
1 831 . 18 1 1 A 63 63 ALA N N 63 121.500 120.810 0.690 1
1 832 . 18 1 1 A 64 64 LEU H H 64 7.850 7.879 -0.029 1
1 833 . 18 1 1 A 64 64 LEU HA H 64 3.900 4.347 -0.447 1
1 843 . 18 1 1 A 64 64 LEU C C 64 178.600 178.853 -0.253 1
1 844 . 18 1 1 A 64 64 LEU CA C 64 57.300 56.858 0.442 1
1 845 . 18 1 1 A 64 64 LEU CB C 64 41.900 41.387 0.513 1
1 849 . 18 1 1 A 64 64 LEU N N 64 120.100 120.290 -0.190 1
1 850 . 18 1 1 A 65 65 LYS H H 65 7.970 8.069 -0.099 1
1 851 . 18 1 1 A 65 65 LYS HA H 65 3.730 3.818 -0.088 1
1 860 . 18 1 1 A 65 65 LYS C C 65 178.300 179.721 -1.421 1
1 861 . 18 1 1 A 65 65 LYS CA C 65 60.400 60.405 -0.005 1
1 862 . 18 1 1 A 65 65 LYS CB C 65 31.900 32.120 -0.220 1
1 866 . 18 1 1 A 65 65 LYS N N 65 118.100 118.992 -0.892 1
1 867 . 18 1 1 A 66 66 GLN H H 66 7.820 7.686 0.134 1
1 868 . 18 1 1 A 66 66 GLN HA H 66 3.950 4.048 -0.098 1
1 875 . 18 1 1 A 66 66 GLN C C 66 178.000 178.213 -0.213 1
1 876 . 18 1 1 A 66 66 GLN CA C 66 58.700 58.926 -0.226 1
1 877 . 18 1 1 A 66 66 GLN CB C 66 28.200 28.529 -0.329 1
1 880 . 18 1 1 A 66 66 GLN N N 66 116.800 118.534 -1.734 1
1 882 . 18 1 1 A 67 67 SER H H 67 8.060 8.350 -0.290 1
1 883 . 18 1 1 A 67 67 SER HA H 67 4.150 4.421 -0.271 1
1 886 . 18 1 1 A 67 67 SER C C 67 176.900 175.348 1.552 1
1 887 . 18 1 1 A 67 67 SER CA C 67 61.500 60.581 0.919 1
1 888 . 18 1 1 A 67 67 SER CB C 67 63.000 63.341 -0.341 1
1 889 . 18 1 1 A 67 67 SER N N 67 114.200 114.939 -0.739 1
1 890 . 18 1 1 A 68 68 VAL H H 68 7.860 7.503 0.357 1
1 891 . 18 1 1 A 68 68 VAL HA H 68 3.850 3.937 -0.087 1
1 899 . 18 1 1 A 68 68 VAL C C 68 177.600 177.962 -0.362 1
1 900 . 18 1 1 A 68 68 VAL CA C 68 64.900 65.341 -0.441 1
1 901 . 18 1 1 A 68 68 VAL CB C 68 32.000 31.908 0.092 1
1 904 . 18 1 1 A 68 68 VAL N N 68 119.300 120.436 -1.136 1
1 905 . 18 1 1 A 69 69 LEU H H 69 7.880 7.933 -0.053 1
1 906 . 18 1 1 A 69 69 LEU HA H 69 4.150 3.997 0.153 1
1 916 . 18 1 1 A 69 69 LEU C C 69 178.400 178.341 0.059 1
1 917 . 18 1 1 A 69 69 LEU CA C 69 56.500 58.427 -1.927 1
1 918 . 18 1 1 A 69 69 LEU CB C 69 41.800 41.623 0.177 1
1 922 . 18 1 1 A 69 69 LEU N N 69 119.800 120.182 -0.382 1
1 923 . 18 1 1 A 70 70 GLU H H 70 7.820 8.565 -0.745 1
1 924 . 18 1 1 A 70 70 GLU HA H 70 4.130 4.173 -0.043 1
1 929 . 18 1 1 A 70 70 GLU C C 70 176.700 178.032 -1.332 1
1 930 . 18 1 1 A 70 70 GLU CA C 70 56.900 59.291 -2.391 1
1 931 . 18 1 1 A 70 70 GLU CB C 70 29.800 30.053 -0.253 1
1 933 . 18 1 1 A 70 70 GLU N N 70 118.000 116.927 1.073 1
1 934 . 18 1 1 A 71 71 HIS H H 71 7.950 7.795 0.155 1
1 935 . 18 1 1 A 71 71 HIS HA H 71 4.460 4.449 0.011 1
1 938 . 18 1 1 A 71 71 HIS C C 71 174.700 175.223 -0.523 1
1 939 . 18 1 1 A 71 71 HIS CA C 71 56.300 54.095 2.205 1
1 940 . 18 1 1 A 71 71 HIS CB C 71 28.800 27.975 0.825 1
1 941 . 18 1 1 A 71 71 HIS N N 71 117.800 120.383 -2.583 1
1 942 . 18 1 1 A 72 72 HIS H H 72 8.260 7.664 0.596 1
1 943 . 18 1 1 A 72 72 HIS HA H 72 4.590 4.438 0.152 1
1 946 . 18 1 1 A 72 72 HIS C C 72 174.500 174.463 0.037 1
1 947 . 18 1 1 A 72 72 HIS CA C 72 55.700 55.524 0.176 1
1 948 . 18 1 1 A 72 72 HIS CB C 72 29.600 29.302 0.298 1
1 949 . 18 1 1 A 72 72 HIS N N 72 119.100 118.676 0.424 1
1 950 . 18 1 1 A 73 73 HIS H H 73 8.420 7.571 0.849 1
1 951 . 18 1 1 A 73 73 HIS HA H 73 4.580 4.276 0.304 1
1 954 . 18 1 1 A 73 73 HIS C C 73 174.400 173.118 1.282 1
1 955 . 18 1 1 A 73 73 HIS CA C 73 55.500 55.998 -0.498 1
1 956 . 18 1 1 A 73 73 HIS CB C 73 29.600 27.627 1.973 1
1 957 . 18 1 1 A 73 73 HIS N N 73 119.700 116.937 2.763 1
1 958 . 18 1 1 A 74 74 HIS H H 74 8.470 8.398 0.072 1
1 959 . 18 1 1 A 74 74 HIS HA H 74 4.570 4.842 -0.272 1
1 962 . 18 1 1 A 74 74 HIS C C 74 173.600 173.417 0.183 1
1 963 . 18 1 1 A 74 74 HIS CA C 74 55.600 56.334 -0.734 1
1 964 . 18 1 1 A 74 74 HIS CB C 74 29.500 32.371 -2.871 1
1 965 . 18 1 1 A 74 74 HIS N N 74 120.500 120.438 0.062 1
1 966 . 18 1 1 A 75 75 HIS H H 75 8.290 8.864 -0.574 1
1 967 . 18 1 1 A 75 75 HIS HA H 75 4.400 4.477 -0.077 1
1 970 . 18 1 1 A 75 75 HIS CA C 75 57.100 57.696 -0.596 1
1 971 . 18 1 1 A 75 75 HIS CB C 75 29.700 30.577 -0.877 1
1 1 . 19 1 1 A 2 2 PRO HA H 2 4.400 4.409 -0.009 1
1 8 . 19 1 1 A 2 2 PRO C C 2 172.300 177.086 -4.786 1
1 9 . 19 1 1 A 2 2 PRO CA C 2 62.200 63.496 -1.296 1
1 10 . 19 1 1 A 2 2 PRO CB C 2 32.600 32.160 0.440 1
1 13 . 19 1 1 A 3 3 ILE H H 3 8.630 8.707 -0.077 1
1 14 . 19 1 1 A 3 3 ILE HA H 3 4.190 3.891 0.299 1
1 24 . 19 1 1 A 3 3 ILE C C 3 176.100 175.785 0.315 1
1 25 . 19 1 1 A 3 3 ILE CA C 3 61.500 62.142 -0.642 1
1 26 . 19 1 1 A 3 3 ILE CB C 3 38.600 35.665 2.935 1
1 30 . 19 1 1 A 3 3 ILE N N 3 120.700 122.688 -1.988 1
1 31 . 19 1 1 A 4 4 VAL H H 4 8.380 7.847 0.533 1
1 32 . 19 1 1 A 4 4 VAL HA H 4 4.140 4.005 0.135 1
1 40 . 19 1 1 A 4 4 VAL C C 4 175.800 176.118 -0.318 1
1 41 . 19 1 1 A 4 4 VAL CA C 4 62.100 62.892 -0.792 1
1 42 . 19 1 1 A 4 4 VAL CB C 4 32.800 31.032 1.768 1
1 45 . 19 1 1 A 4 4 VAL N N 4 125.500 123.604 1.896 1
1 46 . 19 1 1 A 5 5 SER H H 5 8.450 8.832 -0.382 1
1 47 . 19 1 1 A 5 5 SER HA H 5 4.420 4.204 0.216 1
1 50 . 19 1 1 A 5 5 SER C C 5 174.300 174.112 0.188 1
1 51 . 19 1 1 A 5 5 SER CA C 5 57.900 59.398 -1.498 1
1 52 . 19 1 1 A 5 5 SER CB C 5 64.000 60.990 3.010 1
1 53 . 19 1 1 A 5 5 SER N N 5 120.500 121.044 -0.544 1
1 54 . 19 1 1 A 6 6 LYS H H 6 8.330 8.178 0.152 1
1 55 . 19 1 1 A 6 6 LYS HA H 6 4.150 3.931 0.219 1
1 64 . 19 1 1 A 6 6 LYS C C 6 176.000 174.757 1.243 1
1 65 . 19 1 1 A 6 6 LYS CA C 6 56.800 58.997 -2.197 1
1 66 . 19 1 1 A 6 6 LYS CB C 6 33.000 30.644 2.356 1
1 70 . 19 1 1 A 6 6 LYS N N 6 123.400 114.405 8.995 1
1 71 . 19 1 1 A 7 7 TYR H H 7 8.150 7.644 0.506 1
1 72 . 19 1 1 A 7 7 TYR HA H 7 4.640 5.010 -0.370 1
1 79 . 19 1 1 A 7 7 TYR C C 7 175.400 173.476 1.924 1
1 80 . 19 1 1 A 7 7 TYR CA C 7 56.700 56.321 0.379 1
1 81 . 19 1 1 A 7 7 TYR CB C 7 39.300 41.124 -1.824 1
1 86 . 19 1 1 A 7 7 TYR N N 7 120.000 113.246 6.754 1
1 87 . 19 1 1 A 8 8 SER H H 8 8.360 8.976 -0.616 1
1 88 . 19 1 1 A 8 8 SER HA H 8 4.400 4.517 -0.117 1
1 91 . 19 1 1 A 8 8 SER C C 8 174.700 175.829 -1.129 1
1 92 . 19 1 1 A 8 8 SER CA C 8 57.600 58.100 -0.500 1
1 93 . 19 1 1 A 8 8 SER CB C 8 64.000 64.158 -0.158 1
1 94 . 19 1 1 A 8 8 SER N N 8 118.100 120.212 -2.112 1
1 95 . 19 1 1 A 9 9 ASN H H 9 8.900 9.139 -0.239 1
1 96 . 19 1 1 A 9 9 ASN HA H 9 4.400 4.468 -0.068 1
1 101 . 19 1 1 A 9 9 ASN C C 9 176.800 177.930 -1.130 1
1 102 . 19 1 1 A 9 9 ASN CA C 9 55.900 56.062 -0.162 1
1 103 . 19 1 1 A 9 9 ASN CB C 9 38.300 37.482 0.818 1
1 105 . 19 1 1 A 9 9 ASN N N 9 122.300 121.874 0.426 1
1 107 . 19 1 1 A 10 10 GLU H H 10 8.740 8.834 -0.094 1
1 108 . 19 1 1 A 10 10 GLU HA H 10 4.000 4.041 -0.041 1
1 113 . 19 1 1 A 10 10 GLU C C 10 178.500 178.937 -0.437 1
1 114 . 19 1 1 A 10 10 GLU CA C 10 59.900 59.078 0.822 1
1 115 . 19 1 1 A 10 10 GLU CB C 10 29.000 28.828 0.172 1
1 117 . 19 1 1 A 10 10 GLU N N 10 119.000 118.760 0.240 1
1 118 . 19 1 1 A 11 11 ARG H H 11 7.750 7.839 -0.089 1
1 119 . 19 1 1 A 11 11 ARG HA H 11 4.070 4.204 -0.134 1
1 127 . 19 1 1 A 11 11 ARG C C 11 178.000 178.701 -0.701 1
1 128 . 19 1 1 A 11 11 ARG CA C 11 58.800 58.546 0.254 1
1 129 . 19 1 1 A 11 11 ARG CB C 11 30.100 29.933 0.167 1
1 132 . 19 1 1 A 11 11 ARG N N 11 121.500 120.310 1.190 1
1 134 . 19 1 1 A 12 12 VAL H H 12 7.830 7.891 -0.061 1
1 135 . 19 1 1 A 12 12 VAL HA H 12 3.420 3.551 -0.131 1
1 143 . 19 1 1 A 12 12 VAL C C 12 177.400 177.730 -0.330 1
1 144 . 19 1 1 A 12 12 VAL CA C 12 67.000 66.746 0.254 1
1 145 . 19 1 1 A 12 12 VAL CB C 12 32.100 31.474 0.626 1
1 148 . 19 1 1 A 12 12 VAL N N 12 118.800 120.403 -1.603 1
1 149 . 19 1 1 A 13 13 GLU H H 13 8.220 8.260 -0.040 1
1 150 . 19 1 1 A 13 13 GLU HA H 13 3.890 3.972 -0.082 1
1 155 . 19 1 1 A 13 13 GLU C C 13 178.900 179.499 -0.599 1
1 156 . 19 1 1 A 13 13 GLU CA C 13 59.500 59.470 0.030 1
1 157 . 19 1 1 A 13 13 GLU CB C 13 29.000 29.149 -0.149 1
1 159 . 19 1 1 A 13 13 GLU N N 13 116.800 118.645 -1.845 1
1 160 . 19 1 1 A 14 14 LYS H H 14 7.600 7.607 -0.007 1
1 161 . 19 1 1 A 14 14 LYS HA H 14 4.030 4.171 -0.141 1
1 170 . 19 1 1 A 14 14 LYS C C 14 177.700 179.024 -1.324 1
1 171 . 19 1 1 A 14 14 LYS CA C 14 59.100 59.136 -0.036 1
1 172 . 19 1 1 A 14 14 LYS CB C 14 32.100 32.331 -0.231 1
1 176 . 19 1 1 A 14 14 LYS N N 14 120.400 121.181 -0.781 1
1 177 . 19 1 1 A 15 15 ILE H H 15 7.830 8.663 -0.833 1
1 178 . 19 1 1 A 15 15 ILE HA H 15 3.630 3.666 -0.036 1
1 188 . 19 1 1 A 15 15 ILE C C 15 178.200 178.531 -0.331 1
1 189 . 19 1 1 A 15 15 ILE CA C 15 65.700 65.292 0.408 1
1 190 . 19 1 1 A 15 15 ILE CB C 15 37.500 37.531 -0.031 1
1 194 . 19 1 1 A 15 15 ILE N N 15 119.700 119.032 0.668 1
1 195 . 19 1 1 A 16 16 ILE H H 16 8.080 8.021 0.059 1
1 196 . 19 1 1 A 16 16 ILE HA H 16 3.360 3.537 -0.177 1
1 206 . 19 1 1 A 16 16 ILE C C 16 177.500 178.108 -0.608 1
1 207 . 19 1 1 A 16 16 ILE CA C 16 66.600 64.966 1.634 1
1 208 . 19 1 1 A 16 16 ILE CB C 16 38.300 37.599 0.701 1
1 212 . 19 1 1 A 16 16 ILE N N 16 117.900 121.498 -3.598 1
1 213 . 19 1 1 A 17 17 GLN H H 17 8.010 8.109 -0.099 1
1 214 . 19 1 1 A 17 17 GLN HA H 17 3.830 3.917 -0.087 1
1 221 . 19 1 1 A 17 17 GLN C C 17 178.000 177.909 0.091 1
1 222 . 19 1 1 A 17 17 GLN CA C 17 58.400 59.314 -0.914 1
1 223 . 19 1 1 A 17 17 GLN CB C 17 28.100 28.270 -0.170 1
1 225 . 19 1 1 A 17 17 GLN N N 17 117.900 121.337 -3.437 1
1 227 . 19 1 1 A 18 18 ASP H H 18 8.710 8.653 0.057 1
1 228 . 19 1 1 A 18 18 ASP HA H 18 4.400 4.329 0.071 1
1 231 . 19 1 1 A 18 18 ASP C C 18 179.800 179.097 0.703 1
1 232 . 19 1 1 A 18 18 ASP CA C 18 57.400 57.244 0.156 1
1 233 . 19 1 1 A 18 18 ASP CB C 18 39.900 40.563 -0.663 1
1 234 . 19 1 1 A 18 18 ASP N N 18 121.000 119.911 1.089 1
1 235 . 19 1 1 A 19 19 LEU H H 19 8.260 8.113 0.147 1
1 236 . 19 1 1 A 19 19 LEU HA H 19 4.010 4.057 -0.047 1
1 246 . 19 1 1 A 19 19 LEU C C 19 178.200 179.593 -1.393 1
1 247 . 19 1 1 A 19 19 LEU CA C 19 58.100 58.128 -0.028 1
1 248 . 19 1 1 A 19 19 LEU CB C 19 42.400 41.718 0.682 1
1 252 . 19 1 1 A 19 19 LEU N N 19 120.800 120.659 0.141 1
1 253 . 19 1 1 A 20 20 LEU H H 20 8.160 8.581 -0.421 1
1 254 . 19 1 1 A 20 20 LEU HA H 20 3.940 3.930 0.010 1
1 264 . 19 1 1 A 20 20 LEU C C 20 180.100 178.979 1.121 1
1 265 . 19 1 1 A 20 20 LEU CA C 20 57.900 57.839 0.061 1
1 266 . 19 1 1 A 20 20 LEU CB C 20 40.800 40.800 0.000 1
1 270 . 19 1 1 A 20 20 LEU N N 20 117.300 118.762 -1.462 1
1 271 . 19 1 1 A 21 21 ASP H H 21 9.000 8.577 0.423 1
1 272 . 19 1 1 A 21 21 ASP HA H 21 4.420 4.313 0.107 1
1 275 . 19 1 1 A 21 21 ASP C C 21 179.000 178.638 0.362 1
1 276 . 19 1 1 A 21 21 ASP CA C 21 57.300 57.792 -0.492 1
1 277 . 19 1 1 A 21 21 ASP CB C 21 40.500 40.916 -0.416 1
1 278 . 19 1 1 A 21 21 ASP N N 21 120.000 120.260 -0.260 1
1 279 . 19 1 1 A 22 22 VAL H H 22 7.370 7.775 -0.405 1
1 280 . 19 1 1 A 22 22 VAL HA H 22 3.600 3.639 -0.039 1
1 288 . 19 1 1 A 22 22 VAL C C 22 177.700 178.174 -0.474 1
1 289 . 19 1 1 A 22 22 VAL CA C 22 66.300 66.736 -0.436 1
1 290 . 19 1 1 A 22 22 VAL CB C 22 32.000 31.434 0.566 1
1 293 . 19 1 1 A 22 22 VAL N N 22 119.800 119.988 -0.188 1
1 294 . 19 1 1 A 23 23 LEU H H 23 6.880 7.603 -0.723 1
1 295 . 19 1 1 A 23 23 LEU HA H 23 3.880 4.110 -0.230 1
1 305 . 19 1 1 A 23 23 LEU C C 23 179.100 178.840 0.260 1
1 306 . 19 1 1 A 23 23 LEU CA C 23 57.100 57.627 -0.527 1
1 307 . 19 1 1 A 23 23 LEU CB C 23 40.600 41.770 -1.170 1
1 311 . 19 1 1 A 23 23 LEU N N 23 116.500 119.595 -3.095 1
1 312 . 19 1 1 A 24 24 VAL H H 24 8.430 8.307 0.123 1
1 313 . 19 1 1 A 24 24 VAL HA H 24 3.780 3.870 -0.090 1
1 321 . 19 1 1 A 24 24 VAL C C 24 180.800 177.693 3.107 1
1 322 . 19 1 1 A 24 24 VAL CA C 24 65.900 64.738 1.162 1
1 323 . 19 1 1 A 24 24 VAL CB C 24 32.200 31.701 0.499 1
1 326 . 19 1 1 A 24 24 VAL N N 24 120.300 119.086 1.214 1
1 327 . 19 1 1 A 25 25 LYS H H 25 8.380 8.536 -0.156 1
1 328 . 19 1 1 A 25 25 LYS HA H 25 4.030 3.872 0.158 1
1 337 . 19 1 1 A 25 25 LYS C C 25 178.500 178.315 0.185 1
1 338 . 19 1 1 A 25 25 LYS CA C 25 59.400 60.402 -1.002 1
1 339 . 19 1 1 A 25 25 LYS CB C 25 32.300 32.322 -0.022 1
1 343 . 19 1 1 A 25 25 LYS N N 25 121.900 122.177 -0.277 1
1 344 . 19 1 1 A 26 26 GLU H H 26 7.360 8.004 -0.644 1
1 345 . 19 1 1 A 26 26 GLU HA H 26 4.330 4.418 -0.088 1
1 350 . 19 1 1 A 26 26 GLU C C 26 175.000 175.682 -0.682 1
1 351 . 19 1 1 A 26 26 GLU CA C 26 56.000 56.227 -0.227 1
1 352 . 19 1 1 A 26 26 GLU CB C 26 29.800 30.400 -0.600 1
1 354 . 19 1 1 A 26 26 GLU N N 26 115.000 116.218 -1.218 1
1 355 . 19 1 1 A 27 27 GLU H H 27 7.980 7.766 0.214 1
1 356 . 19 1 1 A 27 27 GLU HA H 27 3.950 3.808 0.142 1
1 361 . 19 1 1 A 27 27 GLU C C 27 175.900 175.182 0.718 1
1 362 . 19 1 1 A 27 27 GLU CA C 27 56.900 57.303 -0.403 1
1 363 . 19 1 1 A 27 27 GLU CB C 27 27.100 27.348 -0.248 1
1 365 . 19 1 1 A 27 27 GLU N N 27 116.300 117.019 -0.719 1
1 366 . 19 1 1 A 28 28 VAL H H 28 7.370 7.404 -0.034 1
1 367 . 19 1 1 A 28 28 VAL HA H 28 4.200 4.117 0.083 1
1 375 . 19 1 1 A 28 28 VAL C C 28 176.700 175.901 0.799 1
1 376 . 19 1 1 A 28 28 VAL CA C 28 61.600 61.996 -0.396 1
1 377 . 19 1 1 A 28 28 VAL CB C 28 32.600 32.644 -0.044 1
1 380 . 19 1 1 A 28 28 VAL N N 28 112.200 115.577 -3.377 1
1 381 . 19 1 1 A 29 29 THR H H 29 7.400 8.698 -1.298 1
1 382 . 19 1 1 A 29 29 THR HA H 29 4.640 4.861 -0.221 1
1 387 . 19 1 1 A 29 29 THR CA C 29 59.900 60.245 -0.345 1
1 388 . 19 1 1 A 29 29 THR CB C 29 67.900 68.940 -1.040 1
1 390 . 19 1 1 A 29 29 THR N N 29 113.900 114.775 -0.875 1
1 391 . 19 1 1 A 30 30 PRO HA H 30 4.130 4.218 -0.088 1
1 398 . 19 1 1 A 30 30 PRO C C 30 177.600 177.812 -0.212 1
1 399 . 19 1 1 A 30 30 PRO CA C 30 66.300 65.801 0.499 1
1 400 . 19 1 1 A 30 30 PRO CB C 30 31.500 31.656 -0.156 1
1 403 . 19 1 1 A 31 31 ASP H H 31 8.390 8.904 -0.514 1
1 404 . 19 1 1 A 31 31 ASP HA H 31 4.240 4.370 -0.130 1
1 407 . 19 1 1 A 31 31 ASP C C 31 178.900 179.045 -0.145 1
1 408 . 19 1 1 A 31 31 ASP CA C 31 57.000 56.571 0.429 1
1 409 . 19 1 1 A 31 31 ASP CB C 31 40.000 39.695 0.305 1
1 410 . 19 1 1 A 31 31 ASP N N 31 113.200 117.274 -4.074 1
1 411 . 19 1 1 A 32 32 LEU H H 32 7.460 7.684 -0.224 1
1 412 . 19 1 1 A 32 32 LEU HA H 32 4.190 4.063 0.127 1
1 422 . 19 1 1 A 32 32 LEU C C 32 178.900 178.441 0.459 1
1 423 . 19 1 1 A 32 32 LEU CA C 32 57.000 57.782 -0.782 1
1 424 . 19 1 1 A 32 32 LEU CB C 32 41.300 41.312 -0.012 1
1 428 . 19 1 1 A 32 32 LEU N N 32 123.000 121.873 1.127 1
1 429 . 19 1 1 A 33 33 ALA H H 33 8.930 8.648 0.282 1
1 430 . 19 1 1 A 33 33 ALA HA H 33 3.730 4.116 -0.386 1
1 434 . 19 1 1 A 33 33 ALA C C 33 179.800 179.760 0.040 1
1 435 . 19 1 1 A 33 33 ALA CA C 33 55.900 55.357 0.543 1
1 436 . 19 1 1 A 33 33 ALA CB C 33 19.100 18.563 0.537 1
1 437 . 19 1 1 A 33 33 ALA N N 33 122.700 121.013 1.687 1
1 438 . 19 1 1 A 34 34 LEU H H 34 8.420 8.092 0.328 1
1 439 . 19 1 1 A 34 34 LEU HA H 34 4.010 3.939 0.071 1
1 449 . 19 1 1 A 34 34 LEU C C 34 179.700 179.115 0.585 1
1 450 . 19 1 1 A 34 34 LEU CA C 34 58.200 57.870 0.330 1
1 451 . 19 1 1 A 34 34 LEU CB C 34 41.200 41.273 -0.073 1
1 455 . 19 1 1 A 34 34 LEU N N 34 115.800 117.901 -2.101 1
1 456 . 19 1 1 A 35 35 MET H H 35 7.730 8.330 -0.600 1
1 457 . 19 1 1 A 35 35 MET HA H 35 4.240 4.175 0.065 1
1 465 . 19 1 1 A 35 35 MET C C 35 179.500 178.114 1.386 1
1 466 . 19 1 1 A 35 35 MET CA C 35 59.300 58.573 0.727 1
1 467 . 19 1 1 A 35 35 MET CB C 35 32.900 32.231 0.669 1
1 470 . 19 1 1 A 35 35 MET N N 35 121.400 118.270 3.130 1
1 471 . 19 1 1 A 36 36 CYS H H 36 8.420 8.280 0.140 1
1 472 . 19 1 1 A 36 36 CYS HA H 36 3.950 4.120 -0.170 1
1 475 . 19 1 1 A 36 36 CYS C C 36 177.000 177.235 -0.235 1
1 476 . 19 1 1 A 36 36 CYS CA C 36 64.200 63.708 0.492 1
1 477 . 19 1 1 A 36 36 CYS CB C 36 27.200 27.453 -0.253 1
1 478 . 19 1 1 A 36 36 CYS N N 36 118.600 117.864 0.736 1
1 479 . 19 1 1 A 37 37 LEU H H 37 9.020 8.386 0.634 1
1 480 . 19 1 1 A 37 37 LEU HA H 37 3.940 3.982 -0.042 1
1 490 . 19 1 1 A 37 37 LEU C C 37 179.100 179.209 -0.109 1
1 491 . 19 1 1 A 37 37 LEU CA C 37 58.300 58.644 -0.344 1
1 492 . 19 1 1 A 37 37 LEU CB C 37 42.200 42.053 0.147 1
1 496 . 19 1 1 A 37 37 LEU N N 37 119.600 120.916 -1.316 1
1 497 . 19 1 1 A 38 38 GLY H H 38 8.940 8.658 0.282 1
1 498 . 19 1 1 A 38 38 GLY HA2 H 38 3.610 3.804 -0.194 1
1 499 . 19 1 1 A 38 38 GLY HA3 H 38 3.970 3.826 0.144 1
1 500 . 19 1 1 A 38 38 GLY C C 38 179.800 176.138 3.662 1
1 501 . 19 1 1 A 38 38 GLY CA C 38 47.900 47.448 0.452 1
1 502 . 19 1 1 A 38 38 GLY N N 38 106.600 105.649 0.951 1
1 503 . 19 1 1 A 39 39 ASN H H 39 7.790 7.580 0.210 1
1 504 . 19 1 1 A 39 39 ASN HA H 39 4.440 4.484 -0.044 1
1 509 . 19 1 1 A 39 39 ASN C C 39 178.000 177.795 0.205 1
1 510 . 19 1 1 A 39 39 ASN CA C 39 56.300 56.243 0.057 1
1 511 . 19 1 1 A 39 39 ASN CB C 39 39.500 38.148 1.352 1
1 513 . 19 1 1 A 39 39 ASN N N 39 120.900 120.359 0.541 1
1 515 . 19 1 1 A 40 40 ALA H H 40 8.260 7.631 0.629 1
1 516 . 19 1 1 A 40 40 ALA HA H 40 3.970 4.085 -0.115 1
1 520 . 19 1 1 A 40 40 ALA C C 40 178.200 179.715 -1.515 1
1 521 . 19 1 1 A 40 40 ALA CA C 40 55.900 55.157 0.743 1
1 522 . 19 1 1 A 40 40 ALA CB C 40 17.200 18.458 -1.258 1
1 523 . 19 1 1 A 40 40 ALA N N 40 123.900 122.945 0.955 1
1 524 . 19 1 1 A 41 41 VAL H H 41 8.410 8.281 0.129 1
1 525 . 19 1 1 A 41 41 VAL HA H 41 3.180 3.319 -0.139 1
1 533 . 19 1 1 A 41 41 VAL C C 41 177.800 178.632 -0.832 1
1 534 . 19 1 1 A 41 41 VAL CA C 41 67.000 67.357 -0.357 1
1 535 . 19 1 1 A 41 41 VAL CB C 41 30.900 31.483 -0.583 1
1 538 . 19 1 1 A 41 41 VAL N N 41 116.900 117.760 -0.860 1
1 539 . 19 1 1 A 42 42 THR H H 42 8.210 8.087 0.123 1
1 540 . 19 1 1 A 42 42 THR HA H 42 3.430 3.808 -0.378 1
1 545 . 19 1 1 A 42 42 THR C C 42 175.900 176.327 -0.427 1
1 546 . 19 1 1 A 42 42 THR CA C 42 67.500 66.925 0.575 1
1 547 . 19 1 1 A 42 42 THR CB C 42 68.000 68.403 -0.403 1
1 549 . 19 1 1 A 42 42 THR N N 42 114.800 115.953 -1.153 1
1 550 . 19 1 1 A 43 43 ASN H H 43 7.600 8.251 -0.651 1
1 551 . 19 1 1 A 43 43 ASN HA H 43 4.170 4.415 -0.245 1
1 556 . 19 1 1 A 43 43 ASN C C 43 177.300 177.876 -0.576 1
1 557 . 19 1 1 A 43 43 ASN CA C 43 57.000 56.578 0.422 1
1 558 . 19 1 1 A 43 43 ASN CB C 43 39.400 38.792 0.608 1
1 560 . 19 1 1 A 43 43 ASN N N 43 120.300 118.974 1.326 1
1 562 . 19 1 1 A 44 44 ILE H H 44 7.630 7.543 0.087 1
1 563 . 19 1 1 A 44 44 ILE HA H 44 3.770 3.669 0.101 1
1 573 . 19 1 1 A 44 44 ILE C C 44 179.200 178.421 0.779 1
1 574 . 19 1 1 A 44 44 ILE CA C 44 62.100 64.807 -2.707 1
1 575 . 19 1 1 A 44 44 ILE CB C 44 35.700 38.008 -2.308 1
1 579 . 19 1 1 A 44 44 ILE N N 44 119.700 119.119 0.581 1
1 580 . 19 1 1 A 45 45 ILE H H 45 8.460 8.201 0.259 1
1 581 . 19 1 1 A 45 45 ILE HA H 45 3.550 3.770 -0.220 1
1 591 . 19 1 1 A 45 45 ILE C C 45 177.100 177.223 -0.123 1
1 592 . 19 1 1 A 45 45 ILE CA C 45 65.100 64.622 0.478 1
1 593 . 19 1 1 A 45 45 ILE CB C 45 36.600 36.800 -0.200 1
1 597 . 19 1 1 A 45 45 ILE N N 45 120.300 119.786 0.514 1
1 598 . 19 1 1 A 46 46 ALA H H 46 7.750 7.742 0.008 1
1 599 . 19 1 1 A 46 46 ALA HA H 46 3.950 4.151 -0.201 1
1 603 . 19 1 1 A 46 46 ALA C C 46 178.000 177.881 0.119 1
1 604 . 19 1 1 A 46 46 ALA CA C 46 54.000 53.880 0.120 1
1 605 . 19 1 1 A 46 46 ALA CB C 46 17.900 18.318 -0.418 1
1 606 . 19 1 1 A 46 46 ALA N N 46 120.000 123.254 -3.254 1
1 607 . 19 1 1 A 47 47 GLN H H 47 7.610 7.590 0.020 1
1 608 . 19 1 1 A 47 47 GLN HA H 47 4.190 4.366 -0.176 1
1 615 . 19 1 1 A 47 47 GLN C C 47 177.100 175.336 1.764 1
1 616 . 19 1 1 A 47 47 GLN CA C 47 56.000 55.612 0.388 1
1 617 . 19 1 1 A 47 47 GLN CB C 47 29.000 29.904 -0.904 1
1 620 . 19 1 1 A 47 47 GLN N N 47 114.000 115.057 -1.057 1
1 622 . 19 1 1 A 48 48 VAL H H 48 7.740 7.438 0.302 1
1 623 . 19 1 1 A 48 48 VAL HA H 48 4.390 4.208 0.182 1
1 631 . 19 1 1 A 48 48 VAL CA C 48 59.900 59.132 0.768 1
1 632 . 19 1 1 A 48 48 VAL CB C 48 31.900 32.116 -0.216 1
1 635 . 19 1 1 A 48 48 VAL N N 48 122.400 122.020 0.380 1
1 636 . 19 1 1 A 49 49 PRO HA H 49 4.340 4.611 -0.271 1
1 643 . 19 1 1 A 49 49 PRO C C 49 177.700 177.799 -0.099 1
1 644 . 19 1 1 A 49 49 PRO CA C 49 63.700 63.181 0.519 1
1 645 . 19 1 1 A 49 49 PRO CB C 49 32.300 31.983 0.317 1
1 648 . 19 1 1 A 50 50 GLU H H 50 8.960 8.657 0.303 1
1 649 . 19 1 1 A 50 50 GLU HA H 50 3.580 3.958 -0.378 1
1 654 . 19 1 1 A 50 50 GLU C C 50 178.300 178.429 -0.129 1
1 655 . 19 1 1 A 50 50 GLU CA C 50 60.800 60.096 0.704 1
1 656 . 19 1 1 A 50 50 GLU CB C 50 29.900 29.491 0.409 1
1 658 . 19 1 1 A 50 50 GLU N N 50 124.400 123.205 1.195 1
1 659 . 19 1 1 A 51 51 SER H H 51 8.640 8.293 0.347 1
1 660 . 19 1 1 A 51 51 SER HA H 51 4.240 4.230 0.010 1
1 663 . 19 1 1 A 51 51 SER C C 51 175.200 174.890 0.310 1
1 664 . 19 1 1 A 51 51 SER CA C 51 60.600 60.830 -0.230 1
1 665 . 19 1 1 A 51 51 SER CB C 51 62.600 62.922 -0.322 1
1 666 . 19 1 1 A 51 51 SER N N 51 112.000 114.807 -2.807 1
1 667 . 19 1 1 A 52 52 LYS H H 52 7.950 8.487 -0.537 1
1 668 . 19 1 1 A 52 52 LYS HA H 52 4.650 4.592 0.058 1
1 677 . 19 1 1 A 52 52 LYS C C 52 176.700 178.137 -1.437 1
1 678 . 19 1 1 A 52 52 LYS CA C 52 55.500 56.107 -0.607 1
1 679 . 19 1 1 A 52 52 LYS CB C 52 34.000 33.532 0.468 1
1 683 . 19 1 1 A 52 52 LYS N N 52 119.600 117.362 2.238 1
1 684 . 19 1 1 A 53 53 ARG H H 53 7.290 7.734 -0.444 1
1 685 . 19 1 1 A 53 53 ARG HA H 53 3.530 4.113 -0.583 1
1 695 . 19 1 1 A 53 53 ARG C C 53 177.300 178.805 -1.505 1
1 696 . 19 1 1 A 53 53 ARG CA C 53 61.700 58.676 3.024 1
1 697 . 19 1 1 A 53 53 ARG CB C 53 30.800 29.966 0.834 1
1 700 . 19 1 1 A 53 53 ARG N N 53 119.000 120.758 -1.758 1
1 702 . 19 1 1 A 54 54 VAL H H 54 8.440 7.509 0.931 1
1 703 . 19 1 1 A 54 54 VAL HA H 54 3.460 3.651 -0.191 1
1 711 . 19 1 1 A 54 54 VAL C C 54 177.400 177.842 -0.442 1
1 712 . 19 1 1 A 54 54 VAL CA C 54 67.200 66.413 0.787 1
1 713 . 19 1 1 A 54 54 VAL CB C 54 31.000 31.466 -0.466 1
1 716 . 19 1 1 A 54 54 VAL N N 54 118.400 119.715 -1.315 1
1 717 . 19 1 1 A 55 55 ALA H H 55 8.120 8.118 0.002 1
1 718 . 19 1 1 A 55 55 ALA HA H 55 4.180 4.073 0.107 1
1 722 . 19 1 1 A 55 55 ALA C C 55 180.700 179.594 1.106 1
1 723 . 19 1 1 A 55 55 ALA CA C 55 55.000 55.444 -0.444 1
1 724 . 19 1 1 A 55 55 ALA CB C 55 17.900 18.410 -0.510 1
1 725 . 19 1 1 A 55 55 ALA N N 55 122.300 121.954 0.346 1
1 726 . 19 1 1 A 56 56 VAL H H 56 8.040 7.931 0.109 1
1 727 . 19 1 1 A 56 56 VAL HA H 56 3.780 3.702 0.078 1
1 735 . 19 1 1 A 56 56 VAL C C 56 179.400 178.075 1.325 1
1 736 . 19 1 1 A 56 56 VAL CA C 56 66.700 65.682 1.018 1
1 737 . 19 1 1 A 56 56 VAL CB C 56 31.400 31.675 -0.275 1
1 740 . 19 1 1 A 56 56 VAL N N 56 117.900 116.644 1.256 1
1 741 . 19 1 1 A 57 57 VAL H H 57 8.510 7.692 0.818 1
1 742 . 19 1 1 A 57 57 VAL HA H 57 3.760 3.797 -0.037 1
1 750 . 19 1 1 A 57 57 VAL C C 57 177.900 177.288 0.612 1
1 751 . 19 1 1 A 57 57 VAL CA C 57 66.700 65.614 1.086 1
1 752 . 19 1 1 A 57 57 VAL CB C 57 31.400 31.546 -0.146 1
1 755 . 19 1 1 A 57 57 VAL N N 57 121.600 122.402 -0.802 1
1 756 . 19 1 1 A 58 58 ASP H H 58 8.800 8.036 0.764 1
1 757 . 19 1 1 A 58 58 ASP HA H 58 4.420 4.536 -0.116 1
1 760 . 19 1 1 A 58 58 ASP C C 58 178.500 178.125 0.375 1
1 761 . 19 1 1 A 58 58 ASP CA C 58 57.800 57.340 0.460 1
1 762 . 19 1 1 A 58 58 ASP CB C 58 40.000 41.006 -1.006 1
1 763 . 19 1 1 A 58 58 ASP N N 58 124.800 121.203 3.597 1
1 764 . 19 1 1 A 59 59 ASN H H 59 8.500 8.308 0.192 1
1 765 . 19 1 1 A 59 59 ASN HA H 59 4.460 4.507 -0.047 1
1 770 . 19 1 1 A 59 59 ASN C C 59 177.700 177.524 0.176 1
1 771 . 19 1 1 A 59 59 ASN CA C 59 56.500 56.350 0.150 1
1 772 . 19 1 1 A 59 59 ASN CB C 59 38.300 38.703 -0.403 1
1 774 . 19 1 1 A 59 59 ASN N N 59 118.800 117.236 1.564 1
1 776 . 19 1 1 A 60 60 PHE H H 60 8.540 8.236 0.304 1
1 777 . 19 1 1 A 60 60 PHE HA H 60 4.210 4.083 0.127 1
1 785 . 19 1 1 A 60 60 PHE C C 60 177.700 177.684 0.016 1
1 786 . 19 1 1 A 60 60 PHE CA C 60 61.600 61.653 -0.053 1
1 787 . 19 1 1 A 60 60 PHE CB C 60 39.800 39.137 0.663 1
1 793 . 19 1 1 A 60 60 PHE N N 60 121.800 120.611 1.189 1
1 794 . 19 1 1 A 61 61 THR H H 61 8.820 8.238 0.582 1
1 795 . 19 1 1 A 61 61 THR HA H 61 3.820 3.946 -0.126 1
1 801 . 19 1 1 A 61 61 THR C C 61 176.700 176.772 -0.072 1
1 802 . 19 1 1 A 61 61 THR CA C 61 66.200 65.841 0.359 1
1 803 . 19 1 1 A 61 61 THR CB C 61 68.400 68.368 0.032 1
1 805 . 19 1 1 A 61 61 THR N N 61 112.200 111.657 0.543 1
1 806 . 19 1 1 A 62 62 LYS H H 62 8.190 8.195 -0.005 1
1 807 . 19 1 1 A 62 62 LYS HA H 62 4.010 4.008 0.002 1
1 816 . 19 1 1 A 62 62 LYS C C 62 179.100 178.512 0.588 1
1 817 . 19 1 1 A 62 62 LYS CA C 62 60.100 59.398 0.702 1
1 818 . 19 1 1 A 62 62 LYS CB C 62 32.500 32.315 0.185 1
1 822 . 19 1 1 A 62 62 LYS N N 62 124.000 121.652 2.348 1
1 823 . 19 1 1 A 63 63 ALA H H 63 7.800 8.360 -0.560 1
1 824 . 19 1 1 A 63 63 ALA HA H 63 4.070 4.095 -0.025 1
1 828 . 19 1 1 A 63 63 ALA C C 63 180.400 180.011 0.389 1
1 829 . 19 1 1 A 63 63 ALA CA C 63 54.700 54.992 -0.292 1
1 830 . 19 1 1 A 63 63 ALA CB C 63 17.800 18.297 -0.497 1
1 831 . 19 1 1 A 63 63 ALA N N 63 121.500 120.730 0.770 1
1 832 . 19 1 1 A 64 64 LEU H H 64 7.850 8.083 -0.233 1
1 833 . 19 1 1 A 64 64 LEU HA H 64 3.900 3.808 0.092 1
1 843 . 19 1 1 A 64 64 LEU C C 64 178.600 178.858 -0.258 1
1 844 . 19 1 1 A 64 64 LEU CA C 64 57.300 58.110 -0.810 1
1 845 . 19 1 1 A 64 64 LEU CB C 64 41.900 41.639 0.261 1
1 849 . 19 1 1 A 64 64 LEU N N 64 120.100 119.090 1.010 1
1 850 . 19 1 1 A 65 65 LYS H H 65 7.970 7.768 0.202 1
1 851 . 19 1 1 A 65 65 LYS HA H 65 3.730 4.085 -0.355 1
1 860 . 19 1 1 A 65 65 LYS C C 65 178.300 179.193 -0.893 1
1 861 . 19 1 1 A 65 65 LYS CA C 65 60.400 59.352 1.048 1
1 862 . 19 1 1 A 65 65 LYS CB C 65 31.900 31.856 0.044 1
1 866 . 19 1 1 A 65 65 LYS N N 65 118.100 117.442 0.658 1
1 867 . 19 1 1 A 66 66 GLN H H 66 7.820 7.726 0.094 1
1 868 . 19 1 1 A 66 66 GLN HA H 66 3.950 4.059 -0.109 1
1 875 . 19 1 1 A 66 66 GLN C C 66 178.000 178.099 -0.099 1
1 876 . 19 1 1 A 66 66 GLN CA C 66 58.700 58.624 0.076 1
1 877 . 19 1 1 A 66 66 GLN CB C 66 28.200 28.692 -0.492 1
1 880 . 19 1 1 A 66 66 GLN N N 66 116.800 120.047 -3.247 1
1 882 . 19 1 1 A 67 67 SER H H 67 8.060 8.418 -0.358 1
1 883 . 19 1 1 A 67 67 SER HA H 67 4.150 4.282 -0.132 1
1 886 . 19 1 1 A 67 67 SER C C 67 176.900 177.391 -0.491 1
1 887 . 19 1 1 A 67 67 SER CA C 67 61.500 61.347 0.153 1
1 888 . 19 1 1 A 67 67 SER CB C 67 63.000 62.721 0.279 1
1 889 . 19 1 1 A 67 67 SER N N 67 114.200 116.116 -1.916 1
1 890 . 19 1 1 A 68 68 VAL H H 68 7.860 8.617 -0.757 1
1 891 . 19 1 1 A 68 68 VAL HA H 68 3.850 3.996 -0.146 1
1 899 . 19 1 1 A 68 68 VAL C C 68 177.600 177.147 0.453 1
1 900 . 19 1 1 A 68 68 VAL CA C 68 64.900 66.155 -1.255 1
1 901 . 19 1 1 A 68 68 VAL CB C 68 32.000 31.654 0.346 1
1 904 . 19 1 1 A 68 68 VAL N N 68 119.300 122.252 -2.952 1
1 905 . 19 1 1 A 69 69 LEU H H 69 7.880 7.471 0.409 1
1 906 . 19 1 1 A 69 69 LEU HA H 69 4.150 4.299 -0.149 1
1 916 . 19 1 1 A 69 69 LEU C C 69 178.400 176.318 2.082 1
1 917 . 19 1 1 A 69 69 LEU CA C 69 56.500 54.863 1.637 1
1 918 . 19 1 1 A 69 69 LEU CB C 69 41.800 41.645 0.155 1
1 922 . 19 1 1 A 69 69 LEU N N 69 119.800 120.127 -0.327 1
1 923 . 19 1 1 A 70 70 GLU H H 70 7.820 7.972 -0.152 1
1 924 . 19 1 1 A 70 70 GLU HA H 70 4.130 4.352 -0.222 1
1 929 . 19 1 1 A 70 70 GLU C C 70 176.700 176.171 0.529 1
1 930 . 19 1 1 A 70 70 GLU CA C 70 56.900 56.238 0.662 1
1 931 . 19 1 1 A 70 70 GLU CB C 70 29.800 30.242 -0.442 1
1 933 . 19 1 1 A 70 70 GLU N N 70 118.000 119.817 -1.817 1
1 934 . 19 1 1 A 71 71 HIS H H 71 7.950 8.619 -0.669 1
1 935 . 19 1 1 A 71 71 HIS HA H 71 4.460 4.298 0.162 1
1 938 . 19 1 1 A 71 71 HIS C C 71 174.700 175.456 -0.756 1
1 939 . 19 1 1 A 71 71 HIS CA C 71 56.300 56.950 -0.650 1
1 940 . 19 1 1 A 71 71 HIS CB C 71 28.800 27.580 1.220 1
1 941 . 19 1 1 A 71 71 HIS N N 71 117.800 118.801 -1.001 1
1 942 . 19 1 1 A 72 72 HIS H H 72 8.260 7.774 0.486 1
1 943 . 19 1 1 A 72 72 HIS HA H 72 4.590 4.149 0.441 1
1 946 . 19 1 1 A 72 72 HIS C C 72 174.500 174.807 -0.307 1
1 947 . 19 1 1 A 72 72 HIS CA C 72 55.700 58.828 -3.128 1
1 948 . 19 1 1 A 72 72 HIS CB C 72 29.600 30.121 -0.521 1
1 949 . 19 1 1 A 72 72 HIS N N 72 119.100 120.413 -1.313 1
1 950 . 19 1 1 A 73 73 HIS H H 73 8.420 8.119 0.301 1
1 951 . 19 1 1 A 73 73 HIS HA H 73 4.580 4.784 -0.204 1
1 954 . 19 1 1 A 73 73 HIS C C 73 174.400 174.541 -0.141 1
1 955 . 19 1 1 A 73 73 HIS CA C 73 55.500 54.046 1.454 1
1 956 . 19 1 1 A 73 73 HIS CB C 73 29.600 31.705 -2.105 1
1 957 . 19 1 1 A 73 73 HIS N N 73 119.700 114.556 5.144 1
1 958 . 19 1 1 A 74 74 HIS H H 74 8.470 8.625 -0.155 1
1 959 . 19 1 1 A 74 74 HIS HA H 74 4.570 4.271 0.299 1
1 962 . 19 1 1 A 74 74 HIS C C 74 173.600 174.969 -1.369 1
1 963 . 19 1 1 A 74 74 HIS CA C 74 55.600 58.400 -2.800 1
1 964 . 19 1 1 A 74 74 HIS CB C 74 29.500 30.521 -1.021 1
1 965 . 19 1 1 A 74 74 HIS N N 74 120.500 124.695 -4.195 1
1 966 . 19 1 1 A 75 75 HIS H H 75 8.290 7.804 0.486 1
1 967 . 19 1 1 A 75 75 HIS HA H 75 4.400 4.503 -0.103 1
1 970 . 19 1 1 A 75 75 HIS CA C 75 57.100 55.715 1.385 1
1 971 . 19 1 1 A 75 75 HIS CB C 75 29.700 30.122 -0.422 1
1 1 . 20 1 1 A 2 2 PRO HA H 2 4.400 4.599 -0.199 1
1 8 . 20 1 1 A 2 2 PRO C C 2 172.300 176.078 -3.778 1
1 9 . 20 1 1 A 2 2 PRO CA C 2 62.200 62.931 -0.731 1
1 10 . 20 1 1 A 2 2 PRO CB C 2 32.600 32.745 -0.145 1
1 13 . 20 1 1 A 3 3 ILE H H 3 8.630 8.146 0.484 1
1 14 . 20 1 1 A 3 3 ILE HA H 3 4.190 4.783 -0.593 1
1 24 . 20 1 1 A 3 3 ILE C C 3 176.100 176.174 -0.074 1
1 25 . 20 1 1 A 3 3 ILE CA C 3 61.500 59.984 1.516 1
1 26 . 20 1 1 A 3 3 ILE CB C 3 38.600 38.924 -0.324 1
1 30 . 20 1 1 A 3 3 ILE N N 3 120.700 117.525 3.175 1
1 31 . 20 1 1 A 4 4 VAL H H 4 8.380 8.263 0.117 1
1 32 . 20 1 1 A 4 4 VAL HA H 4 4.140 4.508 -0.368 1
1 40 . 20 1 1 A 4 4 VAL C C 4 175.800 175.630 0.170 1
1 41 . 20 1 1 A 4 4 VAL CA C 4 62.100 60.806 1.294 1
1 42 . 20 1 1 A 4 4 VAL CB C 4 32.800 31.836 0.964 1
1 45 . 20 1 1 A 4 4 VAL N N 4 125.500 123.442 2.058 1
1 46 . 20 1 1 A 5 5 SER H H 5 8.450 7.622 0.828 1
1 47 . 20 1 1 A 5 5 SER HA H 5 4.420 4.336 0.084 1
1 50 . 20 1 1 A 5 5 SER C C 5 174.300 173.721 0.579 1
1 51 . 20 1 1 A 5 5 SER CA C 5 57.900 59.514 -1.614 1
1 52 . 20 1 1 A 5 5 SER CB C 5 64.000 62.734 1.266 1
1 53 . 20 1 1 A 5 5 SER N N 5 120.500 119.982 0.518 1
1 54 . 20 1 1 A 6 6 LYS H H 6 8.330 8.903 -0.573 1
1 55 . 20 1 1 A 6 6 LYS HA H 6 4.150 4.186 -0.036 1
1 64 . 20 1 1 A 6 6 LYS C C 6 176.000 175.993 0.007 1
1 65 . 20 1 1 A 6 6 LYS CA C 6 56.800 56.767 0.033 1
1 66 . 20 1 1 A 6 6 LYS CB C 6 33.000 33.087 -0.087 1
1 70 . 20 1 1 A 6 6 LYS N N 6 123.400 127.001 -3.601 1
1 71 . 20 1 1 A 7 7 TYR H H 7 8.150 7.537 0.613 1
1 72 . 20 1 1 A 7 7 TYR HA H 7 4.640 5.132 -0.492 1
1 79 . 20 1 1 A 7 7 TYR C C 7 175.400 174.682 0.718 1
1 80 . 20 1 1 A 7 7 TYR CA C 7 56.700 56.404 0.296 1
1 81 . 20 1 1 A 7 7 TYR CB C 7 39.300 42.582 -3.282 1
1 86 . 20 1 1 A 7 7 TYR N N 7 120.000 116.958 3.042 1
1 87 . 20 1 1 A 8 8 SER H H 8 8.360 8.651 -0.291 1
1 88 . 20 1 1 A 8 8 SER HA H 8 4.400 4.492 -0.092 1
1 91 . 20 1 1 A 8 8 SER C C 8 174.700 175.801 -1.101 1
1 92 . 20 1 1 A 8 8 SER CA C 8 57.600 57.279 0.321 1
1 93 . 20 1 1 A 8 8 SER CB C 8 64.000 63.667 0.333 1
1 94 . 20 1 1 A 8 8 SER N N 8 118.100 116.379 1.721 1
1 95 . 20 1 1 A 9 9 ASN H H 9 8.900 8.934 -0.034 1
1 96 . 20 1 1 A 9 9 ASN HA H 9 4.400 4.436 -0.036 1
1 101 . 20 1 1 A 9 9 ASN C C 9 176.800 177.406 -0.606 1
1 102 . 20 1 1 A 9 9 ASN CA C 9 55.900 56.880 -0.980 1
1 103 . 20 1 1 A 9 9 ASN CB C 9 38.300 38.015 0.285 1
1 105 . 20 1 1 A 9 9 ASN N N 9 122.300 126.829 -4.529 1
1 107 . 20 1 1 A 10 10 GLU H H 10 8.740 8.166 0.574 1
1 108 . 20 1 1 A 10 10 GLU HA H 10 4.000 4.084 -0.084 1
1 113 . 20 1 1 A 10 10 GLU C C 10 178.500 179.473 -0.973 1
1 114 . 20 1 1 A 10 10 GLU CA C 10 59.900 59.070 0.830 1
1 115 . 20 1 1 A 10 10 GLU CB C 10 29.000 29.260 -0.260 1
1 117 . 20 1 1 A 10 10 GLU N N 10 119.000 120.637 -1.637 1
1 118 . 20 1 1 A 11 11 ARG H H 11 7.750 7.780 -0.030 1
1 119 . 20 1 1 A 11 11 ARG HA H 11 4.070 4.212 -0.142 1
1 127 . 20 1 1 A 11 11 ARG C C 11 178.000 178.766 -0.766 1
1 128 . 20 1 1 A 11 11 ARG CA C 11 58.800 58.593 0.207 1
1 129 . 20 1 1 A 11 11 ARG CB C 11 30.100 29.825 0.275 1
1 132 . 20 1 1 A 11 11 ARG N N 11 121.500 121.145 0.355 1
1 134 . 20 1 1 A 12 12 VAL H H 12 7.830 8.032 -0.202 1
1 135 . 20 1 1 A 12 12 VAL HA H 12 3.420 3.485 -0.065 1
1 143 . 20 1 1 A 12 12 VAL C C 12 177.400 177.952 -0.552 1
1 144 . 20 1 1 A 12 12 VAL CA C 12 67.000 66.581 0.419 1
1 145 . 20 1 1 A 12 12 VAL CB C 12 32.100 31.542 0.558 1
1 148 . 20 1 1 A 12 12 VAL N N 12 118.800 120.643 -1.843 1
1 149 . 20 1 1 A 13 13 GLU H H 13 8.220 8.735 -0.515 1
1 150 . 20 1 1 A 13 13 GLU HA H 13 3.890 3.970 -0.080 1
1 155 . 20 1 1 A 13 13 GLU C C 13 178.900 179.279 -0.379 1
1 156 . 20 1 1 A 13 13 GLU CA C 13 59.500 59.713 -0.213 1
1 157 . 20 1 1 A 13 13 GLU CB C 13 29.000 29.198 -0.198 1
1 159 . 20 1 1 A 13 13 GLU N N 13 116.800 118.565 -1.765 1
1 160 . 20 1 1 A 14 14 LYS H H 14 7.600 7.548 0.052 1
1 161 . 20 1 1 A 14 14 LYS HA H 14 4.030 4.097 -0.067 1
1 170 . 20 1 1 A 14 14 LYS C C 14 177.700 179.014 -1.314 1
1 171 . 20 1 1 A 14 14 LYS CA C 14 59.100 59.214 -0.114 1
1 172 . 20 1 1 A 14 14 LYS CB C 14 32.100 32.246 -0.146 1
1 176 . 20 1 1 A 14 14 LYS N N 14 120.400 121.144 -0.744 1
1 177 . 20 1 1 A 15 15 ILE H H 15 7.830 7.942 -0.112 1
1 178 . 20 1 1 A 15 15 ILE HA H 15 3.630 3.668 -0.038 1
1 188 . 20 1 1 A 15 15 ILE C C 15 178.200 178.370 -0.170 1
1 189 . 20 1 1 A 15 15 ILE CA C 15 65.700 65.316 0.384 1
1 190 . 20 1 1 A 15 15 ILE CB C 15 37.500 37.433 0.067 1
1 194 . 20 1 1 A 15 15 ILE N N 15 119.700 118.894 0.806 1
1 195 . 20 1 1 A 16 16 ILE H H 16 8.080 8.406 -0.326 1
1 196 . 20 1 1 A 16 16 ILE HA H 16 3.360 3.533 -0.173 1
1 206 . 20 1 1 A 16 16 ILE C C 16 177.500 178.126 -0.626 1
1 207 . 20 1 1 A 16 16 ILE CA C 16 66.600 65.296 1.304 1
1 208 . 20 1 1 A 16 16 ILE CB C 16 38.300 37.609 0.691 1
1 212 . 20 1 1 A 16 16 ILE N N 16 117.900 121.399 -3.499 1
1 213 . 20 1 1 A 17 17 GLN H H 17 8.010 8.119 -0.109 1
1 214 . 20 1 1 A 17 17 GLN HA H 17 3.830 3.925 -0.095 1
1 221 . 20 1 1 A 17 17 GLN C C 17 178.000 178.075 -0.075 1
1 222 . 20 1 1 A 17 17 GLN CA C 17 58.400 59.530 -1.130 1
1 223 . 20 1 1 A 17 17 GLN CB C 17 28.100 28.121 -0.021 1
1 225 . 20 1 1 A 17 17 GLN N N 17 117.900 120.856 -2.956 1
1 227 . 20 1 1 A 18 18 ASP H H 18 8.710 8.367 0.343 1
1 228 . 20 1 1 A 18 18 ASP HA H 18 4.400 4.450 -0.050 1
1 231 . 20 1 1 A 18 18 ASP C C 18 179.800 178.885 0.915 1
1 232 . 20 1 1 A 18 18 ASP CA C 18 57.400 57.273 0.127 1
1 233 . 20 1 1 A 18 18 ASP CB C 18 39.900 40.675 -0.775 1
1 234 . 20 1 1 A 18 18 ASP N N 18 121.000 119.604 1.396 1
1 235 . 20 1 1 A 19 19 LEU H H 19 8.260 8.246 0.014 1
1 236 . 20 1 1 A 19 19 LEU HA H 19 4.010 4.072 -0.062 1
1 246 . 20 1 1 A 19 19 LEU C C 19 178.200 179.221 -1.021 1
1 247 . 20 1 1 A 19 19 LEU CA C 19 58.100 57.942 0.158 1
1 248 . 20 1 1 A 19 19 LEU CB C 19 42.400 41.567 0.833 1
1 252 . 20 1 1 A 19 19 LEU N N 19 120.800 120.618 0.182 1
1 253 . 20 1 1 A 20 20 LEU H H 20 8.160 8.314 -0.154 1
1 254 . 20 1 1 A 20 20 LEU HA H 20 3.940 3.952 -0.012 1
1 264 . 20 1 1 A 20 20 LEU C C 20 180.100 179.261 0.839 1
1 265 . 20 1 1 A 20 20 LEU CA C 20 57.900 58.070 -0.170 1
1 266 . 20 1 1 A 20 20 LEU CB C 20 40.800 40.959 -0.159 1
1 270 . 20 1 1 A 20 20 LEU N N 20 117.300 119.163 -1.863 1
1 271 . 20 1 1 A 21 21 ASP H H 21 9.000 8.194 0.806 1
1 272 . 20 1 1 A 21 21 ASP HA H 21 4.420 4.441 -0.021 1
1 275 . 20 1 1 A 21 21 ASP C C 21 179.000 179.028 -0.028 1
1 276 . 20 1 1 A 21 21 ASP CA C 21 57.300 57.553 -0.253 1
1 277 . 20 1 1 A 21 21 ASP CB C 21 40.500 40.351 0.149 1
1 278 . 20 1 1 A 21 21 ASP N N 21 120.000 120.276 -0.276 1
1 279 . 20 1 1 A 22 22 VAL H H 22 7.370 7.823 -0.453 1
1 280 . 20 1 1 A 22 22 VAL HA H 22 3.600 3.569 0.031 1
1 288 . 20 1 1 A 22 22 VAL C C 22 177.700 178.186 -0.486 1
1 289 . 20 1 1 A 22 22 VAL CA C 22 66.300 66.760 -0.460 1
1 290 . 20 1 1 A 22 22 VAL CB C 22 32.000 31.348 0.652 1
1 293 . 20 1 1 A 22 22 VAL N N 22 119.800 120.670 -0.870 1
1 294 . 20 1 1 A 23 23 LEU H H 23 6.880 7.951 -1.071 1
1 295 . 20 1 1 A 23 23 LEU HA H 23 3.880 3.956 -0.076 1
1 305 . 20 1 1 A 23 23 LEU C C 23 179.100 178.960 0.140 1
1 306 . 20 1 1 A 23 23 LEU CA C 23 57.100 58.026 -0.926 1
1 307 . 20 1 1 A 23 23 LEU CB C 23 40.600 41.975 -1.375 1
1 311 . 20 1 1 A 23 23 LEU N N 23 116.500 118.982 -2.482 1
1 312 . 20 1 1 A 24 24 VAL H H 24 8.430 8.416 0.014 1
1 313 . 20 1 1 A 24 24 VAL HA H 24 3.780 3.565 0.215 1
1 321 . 20 1 1 A 24 24 VAL C C 24 180.800 178.517 2.283 1
1 322 . 20 1 1 A 24 24 VAL CA C 24 65.900 66.985 -1.085 1
1 323 . 20 1 1 A 24 24 VAL CB C 24 32.200 31.441 0.759 1
1 326 . 20 1 1 A 24 24 VAL N N 24 120.300 119.212 1.088 1
1 327 . 20 1 1 A 25 25 LYS H H 25 8.380 8.123 0.257 1
1 328 . 20 1 1 A 25 25 LYS HA H 25 4.030 4.034 -0.004 1
1 337 . 20 1 1 A 25 25 LYS C C 25 178.500 177.969 0.531 1
1 338 . 20 1 1 A 25 25 LYS CA C 25 59.400 58.861 0.539 1
1 339 . 20 1 1 A 25 25 LYS CB C 25 32.300 32.079 0.221 1
1 343 . 20 1 1 A 25 25 LYS N N 25 121.900 119.641 2.259 1
1 344 . 20 1 1 A 26 26 GLU H H 26 7.360 7.592 -0.232 1
1 345 . 20 1 1 A 26 26 GLU HA H 26 4.330 4.403 -0.073 1
1 350 . 20 1 1 A 26 26 GLU C C 26 175.000 175.825 -0.825 1
1 351 . 20 1 1 A 26 26 GLU CA C 26 56.000 56.172 -0.172 1
1 352 . 20 1 1 A 26 26 GLU CB C 26 29.800 30.664 -0.864 1
1 354 . 20 1 1 A 26 26 GLU N N 26 115.000 115.659 -0.659 1
1 355 . 20 1 1 A 27 27 GLU H H 27 7.980 7.803 0.177 1
1 356 . 20 1 1 A 27 27 GLU HA H 27 3.950 3.838 0.112 1
1 361 . 20 1 1 A 27 27 GLU C C 27 175.900 175.192 0.708 1
1 362 . 20 1 1 A 27 27 GLU CA C 27 56.900 57.556 -0.656 1
1 363 . 20 1 1 A 27 27 GLU CB C 27 27.100 27.320 -0.220 1
1 365 . 20 1 1 A 27 27 GLU N N 27 116.300 116.930 -0.630 1
1 366 . 20 1 1 A 28 28 VAL H H 28 7.370 7.263 0.107 1
1 367 . 20 1 1 A 28 28 VAL HA H 28 4.200 4.191 0.009 1
1 375 . 20 1 1 A 28 28 VAL C C 28 176.700 175.882 0.818 1
1 376 . 20 1 1 A 28 28 VAL CA C 28 61.600 61.944 -0.344 1
1 377 . 20 1 1 A 28 28 VAL CB C 28 32.600 32.511 0.089 1
1 380 . 20 1 1 A 28 28 VAL N N 28 112.200 115.869 -3.669 1
1 381 . 20 1 1 A 29 29 THR H H 29 7.400 8.738 -1.338 1
1 382 . 20 1 1 A 29 29 THR HA H 29 4.640 4.794 -0.154 1
1 387 . 20 1 1 A 29 29 THR CA C 29 59.900 60.328 -0.428 1
1 388 . 20 1 1 A 29 29 THR CB C 29 67.900 68.856 -0.956 1
1 390 . 20 1 1 A 29 29 THR N N 29 113.900 115.474 -1.574 1
1 391 . 20 1 1 A 30 30 PRO HA H 30 4.130 4.281 -0.151 1
1 398 . 20 1 1 A 30 30 PRO C C 30 177.600 178.632 -1.032 1
1 399 . 20 1 1 A 30 30 PRO CA C 30 66.300 66.107 0.193 1
1 400 . 20 1 1 A 30 30 PRO CB C 30 31.500 31.465 0.035 1
1 403 . 20 1 1 A 31 31 ASP H H 31 8.390 8.448 -0.058 1
1 404 . 20 1 1 A 31 31 ASP HA H 31 4.240 4.344 -0.104 1
1 407 . 20 1 1 A 31 31 ASP C C 31 178.900 178.910 -0.010 1
1 408 . 20 1 1 A 31 31 ASP CA C 31 57.000 57.341 -0.341 1
1 409 . 20 1 1 A 31 31 ASP CB C 31 40.000 40.566 -0.566 1
1 410 . 20 1 1 A 31 31 ASP N N 31 113.200 117.489 -4.289 1
1 411 . 20 1 1 A 32 32 LEU H H 32 7.460 8.118 -0.658 1
1 412 . 20 1 1 A 32 32 LEU HA H 32 4.190 4.135 0.055 1
1 422 . 20 1 1 A 32 32 LEU C C 32 178.900 178.334 0.566 1
1 423 . 20 1 1 A 32 32 LEU CA C 32 57.000 57.780 -0.780 1
1 424 . 20 1 1 A 32 32 LEU CB C 32 41.300 41.278 0.022 1
1 428 . 20 1 1 A 32 32 LEU N N 32 123.000 121.204 1.796 1
1 429 . 20 1 1 A 33 33 ALA H H 33 8.930 8.669 0.261 1
1 430 . 20 1 1 A 33 33 ALA HA H 33 3.730 4.132 -0.402 1
1 434 . 20 1 1 A 33 33 ALA C C 33 179.800 180.044 -0.244 1
1 435 . 20 1 1 A 33 33 ALA CA C 33 55.900 55.268 0.632 1
1 436 . 20 1 1 A 33 33 ALA CB C 33 19.100 18.247 0.853 1
1 437 . 20 1 1 A 33 33 ALA N N 33 122.700 120.855 1.845 1
1 438 . 20 1 1 A 34 34 LEU H H 34 8.420 8.244 0.176 1
1 439 . 20 1 1 A 34 34 LEU HA H 34 4.010 3.881 0.129 1
1 449 . 20 1 1 A 34 34 LEU C C 34 179.700 178.694 1.006 1
1 450 . 20 1 1 A 34 34 LEU CA C 34 58.200 58.167 0.033 1
1 451 . 20 1 1 A 34 34 LEU CB C 34 41.200 41.506 -0.306 1
1 455 . 20 1 1 A 34 34 LEU N N 34 115.800 118.518 -2.718 1
1 456 . 20 1 1 A 35 35 MET H H 35 7.730 8.297 -0.567 1
1 457 . 20 1 1 A 35 35 MET HA H 35 4.240 4.145 0.095 1
1 465 . 20 1 1 A 35 35 MET C C 35 179.500 178.223 1.277 1
1 466 . 20 1 1 A 35 35 MET CA C 35 59.300 58.552 0.748 1
1 467 . 20 1 1 A 35 35 MET CB C 35 32.900 32.337 0.563 1
1 470 . 20 1 1 A 35 35 MET N N 35 121.400 118.218 3.182 1
1 471 . 20 1 1 A 36 36 CYS H H 36 8.420 7.954 0.466 1
1 472 . 20 1 1 A 36 36 CYS HA H 36 3.950 4.326 -0.376 1
1 475 . 20 1 1 A 36 36 CYS C C 36 177.000 177.098 -0.098 1
1 476 . 20 1 1 A 36 36 CYS CA C 36 64.200 63.788 0.412 1
1 477 . 20 1 1 A 36 36 CYS CB C 36 27.200 27.813 -0.613 1
1 478 . 20 1 1 A 36 36 CYS N N 36 118.600 117.570 1.030 1
1 479 . 20 1 1 A 37 37 LEU H H 37 9.020 8.708 0.312 1
1 480 . 20 1 1 A 37 37 LEU HA H 37 3.940 3.995 -0.055 1
1 490 . 20 1 1 A 37 37 LEU C C 37 179.100 179.446 -0.346 1
1 491 . 20 1 1 A 37 37 LEU CA C 37 58.300 58.470 -0.170 1
1 492 . 20 1 1 A 37 37 LEU CB C 37 42.200 42.086 0.114 1
1 496 . 20 1 1 A 37 37 LEU N N 37 119.600 120.904 -1.304 1
1 497 . 20 1 1 A 38 38 GLY H H 38 8.940 8.361 0.579 1
1 498 . 20 1 1 A 38 38 GLY HA2 H 38 3.610 3.736 -0.126 1
1 499 . 20 1 1 A 38 38 GLY HA3 H 38 3.970 3.746 0.224 1
1 500 . 20 1 1 A 38 38 GLY C C 38 179.800 175.839 3.961 1
1 501 . 20 1 1 A 38 38 GLY CA C 38 47.900 46.987 0.913 1
1 502 . 20 1 1 A 38 38 GLY N N 38 106.600 105.091 1.509 1
1 503 . 20 1 1 A 39 39 ASN H H 39 7.790 8.332 -0.542 1
1 504 . 20 1 1 A 39 39 ASN HA H 39 4.440 4.443 -0.003 1
1 509 . 20 1 1 A 39 39 ASN C C 39 178.000 177.370 0.630 1
1 510 . 20 1 1 A 39 39 ASN CA C 39 56.300 56.377 -0.077 1
1 511 . 20 1 1 A 39 39 ASN CB C 39 39.500 38.946 0.554 1
1 513 . 20 1 1 A 39 39 ASN N N 39 120.900 119.725 1.175 1
1 515 . 20 1 1 A 40 40 ALA H H 40 8.260 7.551 0.709 1
1 516 . 20 1 1 A 40 40 ALA HA H 40 3.970 4.008 -0.038 1
1 520 . 20 1 1 A 40 40 ALA C C 40 178.200 180.017 -1.817 1
1 521 . 20 1 1 A 40 40 ALA CA C 40 55.900 55.341 0.559 1
1 522 . 20 1 1 A 40 40 ALA CB C 40 17.200 18.256 -1.056 1
1 523 . 20 1 1 A 40 40 ALA N N 40 123.900 121.822 2.078 1
1 524 . 20 1 1 A 41 41 VAL H H 41 8.410 8.040 0.370 1
1 525 . 20 1 1 A 41 41 VAL HA H 41 3.180 3.333 -0.153 1
1 533 . 20 1 1 A 41 41 VAL C C 41 177.800 178.427 -0.627 1
1 534 . 20 1 1 A 41 41 VAL CA C 41 67.000 67.031 -0.031 1
1 535 . 20 1 1 A 41 41 VAL CB C 41 30.900 31.494 -0.594 1
1 538 . 20 1 1 A 41 41 VAL N N 41 116.900 118.994 -2.094 1
1 539 . 20 1 1 A 42 42 THR H H 42 8.210 8.152 0.058 1
1 540 . 20 1 1 A 42 42 THR HA H 42 3.430 3.787 -0.357 1
1 545 . 20 1 1 A 42 42 THR C C 42 175.900 176.355 -0.455 1
1 546 . 20 1 1 A 42 42 THR CA C 42 67.500 66.743 0.757 1
1 547 . 20 1 1 A 42 42 THR CB C 42 68.000 68.294 -0.294 1
1 549 . 20 1 1 A 42 42 THR N N 42 114.800 115.182 -0.382 1
1 550 . 20 1 1 A 43 43 ASN H H 43 7.600 8.211 -0.611 1
1 551 . 20 1 1 A 43 43 ASN HA H 43 4.170 4.413 -0.243 1
1 556 . 20 1 1 A 43 43 ASN C C 43 177.300 177.483 -0.183 1
1 557 . 20 1 1 A 43 43 ASN CA C 43 57.000 56.632 0.368 1
1 558 . 20 1 1 A 43 43 ASN CB C 43 39.400 39.103 0.297 1
1 560 . 20 1 1 A 43 43 ASN N N 43 120.300 119.048 1.252 1
1 562 . 20 1 1 A 44 44 ILE H H 44 7.630 7.402 0.228 1
1 563 . 20 1 1 A 44 44 ILE HA H 44 3.770 3.910 -0.140 1
1 573 . 20 1 1 A 44 44 ILE C C 44 179.200 178.140 1.060 1
1 574 . 20 1 1 A 44 44 ILE CA C 44 62.100 62.951 -0.851 1
1 575 . 20 1 1 A 44 44 ILE CB C 44 35.700 37.960 -2.260 1
1 579 . 20 1 1 A 44 44 ILE N N 44 119.700 118.492 1.208 1
1 580 . 20 1 1 A 45 45 ILE H H 45 8.460 7.918 0.542 1
1 581 . 20 1 1 A 45 45 ILE HA H 45 3.550 3.731 -0.181 1
1 591 . 20 1 1 A 45 45 ILE C C 45 177.100 176.933 0.167 1
1 592 . 20 1 1 A 45 45 ILE CA C 45 65.100 65.148 -0.048 1
1 593 . 20 1 1 A 45 45 ILE CB C 45 36.600 37.027 -0.427 1
1 597 . 20 1 1 A 45 45 ILE N N 45 120.300 121.053 -0.753 1
1 598 . 20 1 1 A 46 46 ALA H H 46 7.750 7.781 -0.031 1
1 599 . 20 1 1 A 46 46 ALA HA H 46 3.950 4.206 -0.256 1
1 603 . 20 1 1 A 46 46 ALA C C 46 178.000 177.932 0.068 1
1 604 . 20 1 1 A 46 46 ALA CA C 46 54.000 53.709 0.291 1
1 605 . 20 1 1 A 46 46 ALA CB C 46 17.900 18.295 -0.395 1
1 606 . 20 1 1 A 46 46 ALA N N 46 120.000 122.858 -2.858 1
1 607 . 20 1 1 A 47 47 GLN H H 47 7.610 7.552 0.058 1
1 608 . 20 1 1 A 47 47 GLN HA H 47 4.190 4.369 -0.179 1
1 615 . 20 1 1 A 47 47 GLN C C 47 177.100 175.823 1.277 1
1 616 . 20 1 1 A 47 47 GLN CA C 47 56.000 56.085 -0.085 1
1 617 . 20 1 1 A 47 47 GLN CB C 47 29.000 29.462 -0.462 1
1 620 . 20 1 1 A 47 47 GLN N N 47 114.000 115.235 -1.235 1
1 622 . 20 1 1 A 48 48 VAL H H 48 7.740 7.512 0.228 1
1 623 . 20 1 1 A 48 48 VAL HA H 48 4.390 4.223 0.167 1
1 631 . 20 1 1 A 48 48 VAL CA C 48 59.900 59.448 0.452 1
1 632 . 20 1 1 A 48 48 VAL CB C 48 31.900 32.266 -0.366 1
1 635 . 20 1 1 A 48 48 VAL N N 48 122.400 121.902 0.498 1
1 636 . 20 1 1 A 49 49 PRO HA H 49 4.340 4.497 -0.157 1
1 643 . 20 1 1 A 49 49 PRO C C 49 177.700 177.728 -0.028 1
1 644 . 20 1 1 A 49 49 PRO CA C 49 63.700 63.294 0.406 1
1 645 . 20 1 1 A 49 49 PRO CB C 49 32.300 32.744 -0.444 1
1 648 . 20 1 1 A 50 50 GLU H H 50 8.960 8.636 0.324 1
1 649 . 20 1 1 A 50 50 GLU HA H 50 3.580 3.943 -0.363 1
1 654 . 20 1 1 A 50 50 GLU C C 50 178.300 178.932 -0.632 1
1 655 . 20 1 1 A 50 50 GLU CA C 50 60.800 59.722 1.078 1
1 656 . 20 1 1 A 50 50 GLU CB C 50 29.900 29.448 0.452 1
1 658 . 20 1 1 A 50 50 GLU N N 50 124.400 123.191 1.209 1
1 659 . 20 1 1 A 51 51 SER H H 51 8.640 8.280 0.360 1
1 660 . 20 1 1 A 51 51 SER HA H 51 4.240 4.127 0.113 1
1 663 . 20 1 1 A 51 51 SER C C 51 175.200 175.094 0.106 1
1 664 . 20 1 1 A 51 51 SER CA C 51 60.600 61.351 -0.751 1
1 665 . 20 1 1 A 51 51 SER CB C 51 62.600 63.102 -0.502 1
1 666 . 20 1 1 A 51 51 SER N N 51 112.000 115.791 -3.791 1
1 667 . 20 1 1 A 52 52 LYS H H 52 7.950 7.941 0.009 1
1 668 . 20 1 1 A 52 52 LYS HA H 52 4.650 4.540 0.110 1
1 677 . 20 1 1 A 52 52 LYS C C 52 176.700 177.436 -0.736 1
1 678 . 20 1 1 A 52 52 LYS CA C 52 55.500 55.590 -0.090 1
1 679 . 20 1 1 A 52 52 LYS CB C 52 34.000 32.824 1.176 1
1 683 . 20 1 1 A 52 52 LYS N N 52 119.600 117.436 2.164 1
1 684 . 20 1 1 A 53 53 ARG H H 53 7.290 7.772 -0.482 1
1 685 . 20 1 1 A 53 53 ARG HA H 53 3.530 4.065 -0.535 1
1 695 . 20 1 1 A 53 53 ARG C C 53 177.300 178.931 -1.631 1
1 696 . 20 1 1 A 53 53 ARG CA C 53 61.700 59.166 2.534 1
1 697 . 20 1 1 A 53 53 ARG CB C 53 30.800 29.959 0.841 1
1 700 . 20 1 1 A 53 53 ARG N N 53 119.000 120.570 -1.570 1
1 702 . 20 1 1 A 54 54 VAL H H 54 8.440 8.056 0.384 1
1 703 . 20 1 1 A 54 54 VAL HA H 54 3.460 3.693 -0.233 1
1 711 . 20 1 1 A 54 54 VAL C C 54 177.400 177.893 -0.493 1
1 712 . 20 1 1 A 54 54 VAL CA C 54 67.200 66.589 0.611 1
1 713 . 20 1 1 A 54 54 VAL CB C 54 31.000 31.684 -0.684 1
1 716 . 20 1 1 A 54 54 VAL N N 54 118.400 120.112 -1.712 1
1 717 . 20 1 1 A 55 55 ALA H H 55 8.120 8.014 0.106 1
1 718 . 20 1 1 A 55 55 ALA HA H 55 4.180 4.063 0.117 1
1 722 . 20 1 1 A 55 55 ALA C C 55 180.700 179.568 1.132 1
1 723 . 20 1 1 A 55 55 ALA CA C 55 55.000 55.419 -0.419 1
1 724 . 20 1 1 A 55 55 ALA CB C 55 17.900 18.388 -0.488 1
1 725 . 20 1 1 A 55 55 ALA N N 55 122.300 121.931 0.369 1
1 726 . 20 1 1 A 56 56 VAL H H 56 8.040 8.111 -0.071 1
1 727 . 20 1 1 A 56 56 VAL HA H 56 3.780 3.720 0.060 1
1 735 . 20 1 1 A 56 56 VAL C C 56 179.400 178.136 1.264 1
1 736 . 20 1 1 A 56 56 VAL CA C 56 66.700 65.727 0.973 1
1 737 . 20 1 1 A 56 56 VAL CB C 56 31.400 31.685 -0.285 1
1 740 . 20 1 1 A 56 56 VAL N N 56 117.900 116.973 0.927 1
1 741 . 20 1 1 A 57 57 VAL H H 57 8.510 7.591 0.919 1
1 742 . 20 1 1 A 57 57 VAL HA H 57 3.760 3.848 -0.088 1
1 750 . 20 1 1 A 57 57 VAL C C 57 177.900 177.312 0.588 1
1 751 . 20 1 1 A 57 57 VAL CA C 57 66.700 65.123 1.577 1
1 752 . 20 1 1 A 57 57 VAL CB C 57 31.400 31.591 -0.191 1
1 755 . 20 1 1 A 57 57 VAL N N 57 121.600 122.524 -0.924 1
1 756 . 20 1 1 A 58 58 ASP H H 58 8.800 8.117 0.683 1
1 757 . 20 1 1 A 58 58 ASP HA H 58 4.420 4.646 -0.226 1
1 760 . 20 1 1 A 58 58 ASP C C 58 178.500 178.735 -0.235 1
1 761 . 20 1 1 A 58 58 ASP CA C 58 57.800 57.230 0.570 1
1 762 . 20 1 1 A 58 58 ASP CB C 58 40.000 40.830 -0.830 1
1 763 . 20 1 1 A 58 58 ASP N N 58 124.800 121.466 3.334 1
1 764 . 20 1 1 A 59 59 ASN H H 59 8.500 8.103 0.397 1
1 765 . 20 1 1 A 59 59 ASN HA H 59 4.460 4.545 -0.085 1
1 770 . 20 1 1 A 59 59 ASN C C 59 177.700 177.692 0.008 1
1 771 . 20 1 1 A 59 59 ASN CA C 59 56.500 56.334 0.166 1
1 772 . 20 1 1 A 59 59 ASN CB C 59 38.300 38.222 0.078 1
1 774 . 20 1 1 A 59 59 ASN N N 59 118.800 116.779 2.021 1
1 776 . 20 1 1 A 60 60 PHE H H 60 8.540 7.792 0.748 1
1 777 . 20 1 1 A 60 60 PHE HA H 60 4.210 4.161 0.049 1
1 785 . 20 1 1 A 60 60 PHE C C 60 177.700 177.679 0.021 1
1 786 . 20 1 1 A 60 60 PHE CA C 60 61.600 61.642 -0.042 1
1 787 . 20 1 1 A 60 60 PHE CB C 60 39.800 39.060 0.740 1
1 793 . 20 1 1 A 60 60 PHE N N 60 121.800 123.112 -1.312 1
1 794 . 20 1 1 A 61 61 THR H H 61 8.820 8.682 0.138 1
1 795 . 20 1 1 A 61 61 THR HA H 61 3.820 4.075 -0.255 1
1 801 . 20 1 1 A 61 61 THR C C 61 176.700 176.785 -0.085 1
1 802 . 20 1 1 A 61 61 THR CA C 61 66.200 66.075 0.125 1
1 803 . 20 1 1 A 61 61 THR CB C 61 68.400 68.480 -0.080 1
1 805 . 20 1 1 A 61 61 THR N N 61 112.200 111.599 0.601 1
1 806 . 20 1 1 A 62 62 LYS H H 62 8.190 8.147 0.043 1
1 807 . 20 1 1 A 62 62 LYS HA H 62 4.010 3.969 0.041 1
1 816 . 20 1 1 A 62 62 LYS C C 62 179.100 178.540 0.560 1
1 817 . 20 1 1 A 62 62 LYS CA C 62 60.100 59.320 0.780 1
1 818 . 20 1 1 A 62 62 LYS CB C 62 32.500 32.488 0.012 1
1 822 . 20 1 1 A 62 62 LYS N N 62 124.000 121.967 2.033 1
1 823 . 20 1 1 A 63 63 ALA H H 63 7.800 7.864 -0.064 1
1 824 . 20 1 1 A 63 63 ALA HA H 63 4.070 4.012 0.058 1
1 828 . 20 1 1 A 63 63 ALA C C 63 180.400 180.107 0.293 1
1 829 . 20 1 1 A 63 63 ALA CA C 63 54.700 54.915 -0.215 1
1 830 . 20 1 1 A 63 63 ALA CB C 63 17.800 17.965 -0.165 1
1 831 . 20 1 1 A 63 63 ALA N N 63 121.500 120.657 0.843 1
1 832 . 20 1 1 A 64 64 LEU H H 64 7.850 7.869 -0.019 1
1 833 . 20 1 1 A 64 64 LEU HA H 64 3.900 3.819 0.081 1
1 843 . 20 1 1 A 64 64 LEU C C 64 178.600 179.018 -0.418 1
1 844 . 20 1 1 A 64 64 LEU CA C 64 57.300 58.099 -0.799 1
1 845 . 20 1 1 A 64 64 LEU CB C 64 41.900 41.833 0.067 1
1 849 . 20 1 1 A 64 64 LEU N N 64 120.100 118.722 1.378 1
1 850 . 20 1 1 A 65 65 LYS H H 65 7.970 7.949 0.021 1
1 851 . 20 1 1 A 65 65 LYS HA H 65 3.730 3.802 -0.072 1
1 860 . 20 1 1 A 65 65 LYS C C 65 178.300 179.673 -1.373 1
1 861 . 20 1 1 A 65 65 LYS CA C 65 60.400 60.231 0.169 1
1 862 . 20 1 1 A 65 65 LYS CB C 65 31.900 31.998 -0.098 1
1 866 . 20 1 1 A 65 65 LYS N N 65 118.100 117.299 0.801 1
1 867 . 20 1 1 A 66 66 GLN H H 66 7.820 7.647 0.173 1
1 868 . 20 1 1 A 66 66 GLN HA H 66 3.950 4.090 -0.140 1
1 875 . 20 1 1 A 66 66 GLN C C 66 178.000 177.053 0.947 1
1 876 . 20 1 1 A 66 66 GLN CA C 66 58.700 58.839 -0.139 1
1 877 . 20 1 1 A 66 66 GLN CB C 66 28.200 28.997 -0.797 1
1 880 . 20 1 1 A 66 66 GLN N N 66 116.800 118.555 -1.755 1
1 882 . 20 1 1 A 67 67 SER H H 67 8.060 7.975 0.085 1
1 883 . 20 1 1 A 67 67 SER HA H 67 4.150 4.535 -0.385 1
1 886 . 20 1 1 A 67 67 SER C C 67 176.900 176.121 0.779 1
1 887 . 20 1 1 A 67 67 SER CA C 67 61.500 60.319 1.181 1
1 888 . 20 1 1 A 67 67 SER CB C 67 63.000 63.097 -0.097 1
1 889 . 20 1 1 A 67 67 SER N N 67 114.200 115.020 -0.820 1
1 890 . 20 1 1 A 68 68 VAL H H 68 7.860 7.611 0.249 1
1 891 . 20 1 1 A 68 68 VAL HA H 68 3.850 3.862 -0.012 1
1 899 . 20 1 1 A 68 68 VAL C C 68 177.600 178.194 -0.594 1
1 900 . 20 1 1 A 68 68 VAL CA C 68 64.900 65.062 -0.162 1
1 901 . 20 1 1 A 68 68 VAL CB C 68 32.000 32.000 0.000 1
1 904 . 20 1 1 A 68 68 VAL N N 68 119.300 120.004 -0.704 1
1 905 . 20 1 1 A 69 69 LEU H H 69 7.880 7.746 0.134 1
1 906 . 20 1 1 A 69 69 LEU HA H 69 4.150 4.034 0.116 1
1 916 . 20 1 1 A 69 69 LEU C C 69 178.400 177.175 1.225 1
1 917 . 20 1 1 A 69 69 LEU CA C 69 56.500 57.477 -0.977 1
1 918 . 20 1 1 A 69 69 LEU CB C 69 41.800 42.575 -0.775 1
1 922 . 20 1 1 A 69 69 LEU N N 69 119.800 119.482 0.318 1
1 923 . 20 1 1 A 70 70 GLU H H 70 7.820 7.639 0.181 1
1 924 . 20 1 1 A 70 70 GLU HA H 70 4.130 4.775 -0.645 1
1 929 . 20 1 1 A 70 70 GLU C C 70 176.700 175.823 0.877 1
1 930 . 20 1 1 A 70 70 GLU CA C 70 56.900 55.470 1.430 1
1 931 . 20 1 1 A 70 70 GLU CB C 70 29.800 31.680 -1.880 1
1 933 . 20 1 1 A 70 70 GLU N N 70 118.000 118.216 -0.216 1
1 934 . 20 1 1 A 71 71 HIS H H 71 7.950 8.994 -1.044 1
1 935 . 20 1 1 A 71 71 HIS HA H 71 4.460 4.696 -0.236 1
1 938 . 20 1 1 A 71 71 HIS C C 71 174.700 175.084 -0.384 1
1 939 . 20 1 1 A 71 71 HIS CA C 71 56.300 56.856 -0.556 1
1 940 . 20 1 1 A 71 71 HIS CB C 71 28.800 31.166 -2.366 1
1 941 . 20 1 1 A 71 71 HIS N N 71 117.800 126.961 -9.161 1
1 942 . 20 1 1 A 72 72 HIS H H 72 8.260 7.967 0.293 1
1 943 . 20 1 1 A 72 72 HIS HA H 72 4.590 4.731 -0.141 1
1 946 . 20 1 1 A 72 72 HIS C C 72 174.500 174.226 0.274 1
1 947 . 20 1 1 A 72 72 HIS CA C 72 55.700 56.987 -1.287 1
1 948 . 20 1 1 A 72 72 HIS CB C 72 29.600 31.576 -1.976 1
1 949 . 20 1 1 A 72 72 HIS N N 72 119.100 116.443 2.657 1
1 950 . 20 1 1 A 73 73 HIS H H 73 8.420 8.006 0.414 1
1 951 . 20 1 1 A 73 73 HIS HA H 73 4.580 4.740 -0.160 1
1 954 . 20 1 1 A 73 73 HIS C C 73 174.400 173.410 0.990 1
1 955 . 20 1 1 A 73 73 HIS CA C 73 55.500 56.105 -0.605 1
1 956 . 20 1 1 A 73 73 HIS CB C 73 29.600 31.933 -2.333 1
1 957 . 20 1 1 A 73 73 HIS N N 73 119.700 116.778 2.922 1
1 958 . 20 1 1 A 74 74 HIS H H 74 8.470 9.268 -0.798 1
1 959 . 20 1 1 A 74 74 HIS HA H 74 4.570 4.445 0.125 1
1 962 . 20 1 1 A 74 74 HIS C C 74 173.600 174.500 -0.900 1
1 963 . 20 1 1 A 74 74 HIS CA C 74 55.600 56.114 -0.514 1
1 964 . 20 1 1 A 74 74 HIS CB C 74 29.500 30.152 -0.652 1
1 965 . 20 1 1 A 74 74 HIS N N 74 120.500 123.832 -3.332 1
1 966 . 20 1 1 A 75 75 HIS H H 75 8.290 8.713 -0.423 1
1 967 . 20 1 1 A 75 75 HIS HA H 75 4.400 4.458 -0.058 1
1 970 . 20 1 1 A 75 75 HIS CA C 75 57.100 56.685 0.415 1
1 971 . 20 1 1 A 75 75 HIS CB C 75 29.700 30.823 -1.123 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 71 1.041 1
2 1 1 1 "RMS(OBS, PRED)" CA 74 1.104 1
3 1 1 1 "RMS(OBS, PRED)" CB 73 0.907 1
4 1 1 1 "RMS(OBS, PRED)" H 71 0.462 1
5 1 1 1 "RMS(OBS, PRED)" HA 75 0.192 1
6 1 1 1 "RMS(OBS, PRED)" N 70 2.056 1
7 1 2 1 "RMS(OBS, PRED)" C 71 1.030 1
8 1 2 1 "RMS(OBS, PRED)" CA 74 1.051 1
9 1 2 1 "RMS(OBS, PRED)" CB 73 1.080 1
10 1 2 1 "RMS(OBS, PRED)" H 71 0.454 1
11 1 2 1 "RMS(OBS, PRED)" HA 75 0.203 1
12 1 2 1 "RMS(OBS, PRED)" N 70 2.140 1
13 1 3 1 "RMS(OBS, PRED)" C 71 1.107 1
14 1 3 1 "RMS(OBS, PRED)" CA 74 0.966 1
15 1 3 1 "RMS(OBS, PRED)" CB 73 0.945 1
16 1 3 1 "RMS(OBS, PRED)" H 71 0.409 1
17 1 3 1 "RMS(OBS, PRED)" HA 75 0.213 1
18 1 3 1 "RMS(OBS, PRED)" N 70 2.385 1
19 1 4 1 "RMS(OBS, PRED)" C 71 1.121 1
20 1 4 1 "RMS(OBS, PRED)" CA 74 0.946 1
21 1 4 1 "RMS(OBS, PRED)" CB 73 0.794 1
22 1 4 1 "RMS(OBS, PRED)" H 71 0.429 1
23 1 4 1 "RMS(OBS, PRED)" HA 75 0.200 1
24 1 4 1 "RMS(OBS, PRED)" N 70 1.983 1
25 1 5 1 "RMS(OBS, PRED)" C 71 1.022 1
26 1 5 1 "RMS(OBS, PRED)" CA 74 1.031 1
27 1 5 1 "RMS(OBS, PRED)" CB 73 0.894 1
28 1 5 1 "RMS(OBS, PRED)" H 71 0.449 1
29 1 5 1 "RMS(OBS, PRED)" HA 75 0.218 1
30 1 5 1 "RMS(OBS, PRED)" N 70 2.378 1
31 1 6 1 "RMS(OBS, PRED)" C 71 1.090 1
32 1 6 1 "RMS(OBS, PRED)" CA 74 1.220 1
33 1 6 1 "RMS(OBS, PRED)" CB 73 0.904 1
34 1 6 1 "RMS(OBS, PRED)" H 71 0.442 1
35 1 6 1 "RMS(OBS, PRED)" HA 75 0.195 1
36 1 6 1 "RMS(OBS, PRED)" N 70 2.207 1
37 1 7 1 "RMS(OBS, PRED)" C 71 1.007 1
38 1 7 1 "RMS(OBS, PRED)" CA 74 0.875 1
39 1 7 1 "RMS(OBS, PRED)" CB 73 0.803 1
40 1 7 1 "RMS(OBS, PRED)" H 71 0.467 1
41 1 7 1 "RMS(OBS, PRED)" HA 75 0.220 1
42 1 7 1 "RMS(OBS, PRED)" N 70 2.402 1
43 1 8 1 "RMS(OBS, PRED)" C 71 1.069 1
44 1 8 1 "RMS(OBS, PRED)" CA 74 1.080 1
45 1 8 1 "RMS(OBS, PRED)" CB 73 0.904 1
46 1 8 1 "RMS(OBS, PRED)" H 71 0.426 1
47 1 8 1 "RMS(OBS, PRED)" HA 75 0.221 1
48 1 8 1 "RMS(OBS, PRED)" N 70 1.960 1
49 1 9 1 "RMS(OBS, PRED)" C 71 1.050 1
50 1 9 1 "RMS(OBS, PRED)" CA 74 1.234 1
51 1 9 1 "RMS(OBS, PRED)" CB 73 0.842 1
52 1 9 1 "RMS(OBS, PRED)" H 71 0.454 1
53 1 9 1 "RMS(OBS, PRED)" HA 75 0.226 1
54 1 9 1 "RMS(OBS, PRED)" N 70 2.239 1
55 1 10 1 "RMS(OBS, PRED)" C 71 1.029 1
56 1 10 1 "RMS(OBS, PRED)" CA 74 0.998 1
57 1 10 1 "RMS(OBS, PRED)" CB 73 0.768 1
58 1 10 1 "RMS(OBS, PRED)" H 71 0.430 1
59 1 10 1 "RMS(OBS, PRED)" HA 75 0.175 1
60 1 10 1 "RMS(OBS, PRED)" N 70 2.151 1
61 1 11 1 "RMS(OBS, PRED)" C 71 1.045 1
62 1 11 1 "RMS(OBS, PRED)" CA 74 1.032 1
63 1 11 1 "RMS(OBS, PRED)" CB 73 0.910 1
64 1 11 1 "RMS(OBS, PRED)" H 71 0.413 1
65 1 11 1 "RMS(OBS, PRED)" HA 75 0.203 1
66 1 11 1 "RMS(OBS, PRED)" N 70 2.259 1
67 1 12 1 "RMS(OBS, PRED)" C 71 1.054 1
68 1 12 1 "RMS(OBS, PRED)" CA 74 1.045 1
69 1 12 1 "RMS(OBS, PRED)" CB 73 0.934 1
70 1 12 1 "RMS(OBS, PRED)" H 71 0.402 1
71 1 12 1 "RMS(OBS, PRED)" HA 75 0.217 1
72 1 12 1 "RMS(OBS, PRED)" N 70 2.753 1
73 1 13 1 "RMS(OBS, PRED)" C 71 1.063 1
74 1 13 1 "RMS(OBS, PRED)" CA 74 1.105 1
75 1 13 1 "RMS(OBS, PRED)" CB 73 0.902 1
76 1 13 1 "RMS(OBS, PRED)" H 71 0.414 1
77 1 13 1 "RMS(OBS, PRED)" HA 75 0.214 1
78 1 13 1 "RMS(OBS, PRED)" N 70 2.300 1
79 1 14 1 "RMS(OBS, PRED)" C 71 1.049 1
80 1 14 1 "RMS(OBS, PRED)" CA 74 0.972 1
81 1 14 1 "RMS(OBS, PRED)" CB 73 0.857 1
82 1 14 1 "RMS(OBS, PRED)" H 71 0.457 1
83 1 14 1 "RMS(OBS, PRED)" HA 75 0.221 1
84 1 14 1 "RMS(OBS, PRED)" N 70 2.384 1
85 1 15 1 "RMS(OBS, PRED)" C 71 1.181 1
86 1 15 1 "RMS(OBS, PRED)" CA 74 0.999 1
87 1 15 1 "RMS(OBS, PRED)" CB 73 1.299 1
88 1 15 1 "RMS(OBS, PRED)" H 71 0.463 1
89 1 15 1 "RMS(OBS, PRED)" HA 75 0.262 1
90 1 15 1 "RMS(OBS, PRED)" N 70 2.187 1
91 1 16 1 "RMS(OBS, PRED)" C 71 1.100 1
92 1 16 1 "RMS(OBS, PRED)" CA 74 1.171 1
93 1 16 1 "RMS(OBS, PRED)" CB 73 0.904 1
94 1 16 1 "RMS(OBS, PRED)" H 71 0.421 1
95 1 16 1 "RMS(OBS, PRED)" HA 75 0.187 1
96 1 16 1 "RMS(OBS, PRED)" N 70 2.222 1
97 1 17 1 "RMS(OBS, PRED)" C 71 1.107 1
98 1 17 1 "RMS(OBS, PRED)" CA 74 0.976 1
99 1 17 1 "RMS(OBS, PRED)" CB 73 0.940 1
100 1 17 1 "RMS(OBS, PRED)" H 71 0.403 1
101 1 17 1 "RMS(OBS, PRED)" HA 75 0.181 1
102 1 17 1 "RMS(OBS, PRED)" N 70 2.332 1
103 1 18 1 "RMS(OBS, PRED)" C 71 1.066 1
104 1 18 1 "RMS(OBS, PRED)" CA 74 0.938 1
105 1 18 1 "RMS(OBS, PRED)" CB 73 0.833 1
106 1 18 1 "RMS(OBS, PRED)" H 71 0.466 1
107 1 18 1 "RMS(OBS, PRED)" HA 75 0.202 1
108 1 18 1 "RMS(OBS, PRED)" N 70 1.907 1
109 1 19 1 "RMS(OBS, PRED)" C 71 1.135 1
110 1 19 1 "RMS(OBS, PRED)" CA 74 1.001 1
111 1 19 1 "RMS(OBS, PRED)" CB 73 0.910 1
112 1 19 1 "RMS(OBS, PRED)" H 71 0.434 1
113 1 19 1 "RMS(OBS, PRED)" HA 75 0.188 1
114 1 19 1 "RMS(OBS, PRED)" N 70 2.334 1
115 1 20 1 "RMS(OBS, PRED)" C 71 1.027 1
116 1 20 1 "RMS(OBS, PRED)" CA 74 0.757 1
117 1 20 1 "RMS(OBS, PRED)" CB 73 0.886 1
118 1 20 1 "RMS(OBS, PRED)" H 71 0.460 1
119 1 20 1 "RMS(OBS, PRED)" HA 75 0.208 1
120 1 20 1 "RMS(OBS, PRED)" N 70 2.303 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 PRO HA H 2 4.400 4.571 -0.171 2
1 8 . 1 1 A 2 2 PRO C C 2 172.300 176.180 -3.880 2
1 9 . 1 1 A 2 2 PRO CA C 2 62.200 62.906 -0.706 2
1 10 . 1 1 A 2 2 PRO CB C 2 32.600 31.878 0.722 2
1 13 . 1 1 A 3 3 ILE H H 3 8.630 8.298 0.332 2
1 14 . 1 1 A 3 3 ILE HA H 3 4.190 4.350 -0.160 2
1 24 . 1 1 A 3 3 ILE C C 3 176.100 175.602 0.498 2
1 25 . 1 1 A 3 3 ILE CA C 3 61.500 60.655 0.845 2
1 26 . 1 1 A 3 3 ILE CB C 3 38.600 38.631 -0.031 2
1 30 . 1 1 A 3 3 ILE N N 3 120.700 121.386 -0.686 2
1 31 . 1 1 A 4 4 VAL H H 4 8.380 8.483 -0.103 2
1 32 . 1 1 A 4 4 VAL HA H 4 4.140 4.171 -0.031 2
1 40 . 1 1 A 4 4 VAL C C 4 175.800 175.771 0.029 2
1 41 . 1 1 A 4 4 VAL CA C 4 62.100 62.382 -0.282 2
1 42 . 1 1 A 4 4 VAL CB C 4 32.800 32.043 0.757 2
1 45 . 1 1 A 4 4 VAL N N 4 125.500 124.915 0.585 2
1 46 . 1 1 A 5 5 SER H H 5 8.450 8.324 0.126 2
1 47 . 1 1 A 5 5 SER HA H 5 4.420 4.220 0.200 2
1 50 . 1 1 A 5 5 SER C C 5 174.300 174.188 0.112 2
1 51 . 1 1 A 5 5 SER CA C 5 57.900 58.774 -0.874 2
1 52 . 1 1 A 5 5 SER CB C 5 64.000 63.020 0.980 2
1 53 . 1 1 A 5 5 SER N N 5 120.500 118.492 2.008 2
1 54 . 1 1 A 6 6 LYS H H 6 8.330 8.114 0.216 2
1 55 . 1 1 A 6 6 LYS HA H 6 4.150 4.080 0.070 2
1 64 . 1 1 A 6 6 LYS C C 6 176.000 175.511 0.489 2
1 65 . 1 1 A 6 6 LYS CA C 6 56.800 57.229 -0.429 2
1 66 . 1 1 A 6 6 LYS CB C 6 33.000 32.380 0.620 2
1 70 . 1 1 A 6 6 LYS N N 6 123.400 122.139 1.261 2
1 71 . 1 1 A 7 7 TYR H H 7 8.150 7.582 0.568 2
1 72 . 1 1 A 7 7 TYR HA H 7 4.640 4.678 -0.038 2
1 79 . 1 1 A 7 7 TYR C C 7 175.400 174.907 0.493 2
1 80 . 1 1 A 7 7 TYR CA C 7 56.700 58.358 -1.658 2
1 81 . 1 1 A 7 7 TYR CB C 7 39.300 39.068 0.233 2
1 86 . 1 1 A 7 7 TYR N N 7 120.000 118.014 1.986 2
1 87 . 1 1 A 8 8 SER H H 8 8.360 8.755 -0.395 2
1 88 . 1 1 A 8 8 SER HA H 8 4.400 4.777 -0.377 2
1 91 . 1 1 A 8 8 SER C C 8 174.700 175.442 -0.742 2
1 92 . 1 1 A 8 8 SER CA C 8 57.600 57.469 0.131 2
1 93 . 1 1 A 8 8 SER CB C 8 64.000 64.627 -0.627 2
1 94 . 1 1 A 8 8 SER N N 8 118.100 117.607 0.493 2
1 95 . 1 1 A 9 9 ASN H H 9 8.900 9.057 -0.157 2
1 96 . 1 1 A 9 9 ASN HA H 9 4.400 4.418 -0.018 2
1 101 . 1 1 A 9 9 ASN C C 9 176.800 177.479 -0.679 2
1 102 . 1 1 A 9 9 ASN CA C 9 55.900 56.776 -0.876 2
1 103 . 1 1 A 9 9 ASN CB C 9 38.300 38.031 0.269 2
1 105 . 1 1 A 9 9 ASN N N 9 122.300 123.493 -1.193 2
1 107 . 1 1 A 10 10 GLU H H 10 8.740 8.331 0.409 2
1 108 . 1 1 A 10 10 GLU HA H 10 4.000 4.031 -0.031 2
1 113 . 1 1 A 10 10 GLU C C 10 178.500 179.119 -0.619 2
1 114 . 1 1 A 10 10 GLU CA C 10 59.900 59.414 0.486 2
1 115 . 1 1 A 10 10 GLU CB C 10 29.000 29.282 -0.282 2
1 117 . 1 1 A 10 10 GLU N N 10 119.000 119.534 -0.534 2
1 118 . 1 1 A 11 11 ARG H H 11 7.750 7.816 -0.066 2
1 119 . 1 1 A 11 11 ARG HA H 11 4.070 4.177 -0.107 2
1 127 . 1 1 A 11 11 ARG C C 11 178.000 178.724 -0.724 2
1 128 . 1 1 A 11 11 ARG CA C 11 58.800 58.670 0.130 2
1 129 . 1 1 A 11 11 ARG CB C 11 30.100 29.891 0.209 2
1 132 . 1 1 A 11 11 ARG N N 11 121.500 120.628 0.872 2
1 134 . 1 1 A 12 12 VAL H H 12 7.830 8.138 -0.308 2
1 135 . 1 1 A 12 12 VAL HA H 12 3.420 3.516 -0.096 2
1 143 . 1 1 A 12 12 VAL C C 12 177.400 177.796 -0.395 2
1 144 . 1 1 A 12 12 VAL CA C 12 67.000 66.746 0.254 2
1 145 . 1 1 A 12 12 VAL CB C 12 32.100 31.503 0.597 2
1 148 . 1 1 A 12 12 VAL N N 12 118.800 119.988 -1.188 2
1 149 . 1 1 A 13 13 GLU H H 13 8.220 8.421 -0.201 2
1 150 . 1 1 A 13 13 GLU HA H 13 3.890 3.985 -0.095 2
1 155 . 1 1 A 13 13 GLU C C 13 178.900 179.170 -0.270 2
1 156 . 1 1 A 13 13 GLU CA C 13 59.500 59.577 -0.077 2
1 157 . 1 1 A 13 13 GLU CB C 13 29.000 29.242 -0.242 2
1 159 . 1 1 A 13 13 GLU N N 13 116.800 119.008 -2.208 2
1 160 . 1 1 A 14 14 LYS H H 14 7.600 7.746 -0.146 2
1 161 . 1 1 A 14 14 LYS HA H 14 4.030 4.123 -0.093 2
1 170 . 1 1 A 14 14 LYS C C 14 177.700 178.945 -1.245 2
1 171 . 1 1 A 14 14 LYS CA C 14 59.100 58.979 0.121 2
1 172 . 1 1 A 14 14 LYS CB C 14 32.100 32.275 -0.175 2
1 176 . 1 1 A 14 14 LYS N N 14 120.400 120.372 0.028 2
1 177 . 1 1 A 15 15 ILE H H 15 7.830 8.137 -0.307 2
1 178 . 1 1 A 15 15 ILE HA H 15 3.630 3.635 -0.005 2
1 188 . 1 1 A 15 15 ILE C C 15 178.200 178.297 -0.097 2
1 189 . 1 1 A 15 15 ILE CA C 15 65.700 65.589 0.111 2
1 190 . 1 1 A 15 15 ILE CB C 15 37.500 37.706 -0.205 2
1 194 . 1 1 A 15 15 ILE N N 15 119.700 119.399 0.301 2
1 195 . 1 1 A 16 16 ILE H H 16 8.080 8.221 -0.141 2
1 196 . 1 1 A 16 16 ILE HA H 16 3.360 3.511 -0.151 2
1 206 . 1 1 A 16 16 ILE C C 16 177.500 178.154 -0.654 2
1 207 . 1 1 A 16 16 ILE CA C 16 66.600 65.382 1.217 2
1 208 . 1 1 A 16 16 ILE CB C 16 38.300 37.726 0.574 2
1 212 . 1 1 A 16 16 ILE N N 16 117.900 121.088 -3.188 2
1 213 . 1 1 A 17 17 GLN H H 17 8.010 8.310 -0.300 2
1 214 . 1 1 A 17 17 GLN HA H 17 3.830 3.916 -0.086 2
1 221 . 1 1 A 17 17 GLN C C 17 178.000 177.830 0.170 2
1 222 . 1 1 A 17 17 GLN CA C 17 58.400 59.328 -0.928 2
1 223 . 1 1 A 17 17 GLN CB C 17 28.100 28.187 -0.087 2
1 225 . 1 1 A 17 17 GLN N N 17 117.900 120.586 -2.686 2
1 227 . 1 1 A 18 18 ASP H H 18 8.710 8.497 0.213 2
1 228 . 1 1 A 18 18 ASP HA H 18 4.400 4.406 -0.006 2
1 231 . 1 1 A 18 18 ASP C C 18 179.800 178.879 0.921 2
1 232 . 1 1 A 18 18 ASP CA C 18 57.400 57.347 0.053 2
1 233 . 1 1 A 18 18 ASP CB C 18 39.900 41.060 -1.160 2
1 234 . 1 1 A 18 18 ASP N N 18 121.000 120.008 0.992 2
1 235 . 1 1 A 19 19 LEU H H 19 8.260 8.179 0.081 2
1 236 . 1 1 A 19 19 LEU HA H 19 4.010 4.027 -0.017 2
1 246 . 1 1 A 19 19 LEU C C 19 178.200 179.381 -1.181 2
1 247 . 1 1 A 19 19 LEU CA C 19 58.100 58.086 0.014 2
1 248 . 1 1 A 19 19 LEU CB C 19 42.400 41.734 0.666 2
1 252 . 1 1 A 19 19 LEU N N 19 120.800 120.368 0.432 2
1 253 . 1 1 A 20 20 LEU H H 20 8.160 8.369 -0.209 2
1 254 . 1 1 A 20 20 LEU HA H 20 3.940 3.946 -0.006 2
1 264 . 1 1 A 20 20 LEU C C 20 180.100 179.068 1.032 2
1 265 . 1 1 A 20 20 LEU CA C 20 57.900 57.901 -0.001 2
1 266 . 1 1 A 20 20 LEU CB C 20 40.800 40.902 -0.102 2
1 270 . 1 1 A 20 20 LEU N N 20 117.300 118.729 -1.429 2
1 271 . 1 1 A 21 21 ASP H H 21 9.000 8.473 0.527 2
1 272 . 1 1 A 21 21 ASP HA H 21 4.420 4.362 0.058 2
1 275 . 1 1 A 21 21 ASP C C 21 179.000 178.774 0.226 2
1 276 . 1 1 A 21 21 ASP CA C 21 57.300 57.600 -0.300 2
1 277 . 1 1 A 21 21 ASP CB C 21 40.500 40.906 -0.406 2
1 278 . 1 1 A 21 21 ASP N N 21 120.000 120.170 -0.170 2
1 279 . 1 1 A 22 22 VAL H H 22 7.370 7.807 -0.437 2
1 280 . 1 1 A 22 22 VAL HA H 22 3.600 3.576 0.024 2
1 288 . 1 1 A 22 22 VAL C C 22 177.700 178.217 -0.517 2
1 289 . 1 1 A 22 22 VAL CA C 22 66.300 66.713 -0.413 2
1 290 . 1 1 A 22 22 VAL CB C 22 32.000 31.400 0.600 2
1 293 . 1 1 A 22 22 VAL N N 22 119.800 119.943 -0.143 2
1 294 . 1 1 A 23 23 LEU H H 23 6.880 7.903 -1.023 2
1 295 . 1 1 A 23 23 LEU HA H 23 3.880 3.979 -0.099 2
1 305 . 1 1 A 23 23 LEU C C 23 179.100 179.215 -0.115 2
1 306 . 1 1 A 23 23 LEU CA C 23 57.100 58.059 -0.959 2
1 307 . 1 1 A 23 23 LEU CB C 23 40.600 41.872 -1.272 2
1 311 . 1 1 A 23 23 LEU N N 23 116.500 119.189 -2.689 2
1 312 . 1 1 A 24 24 VAL H H 24 8.430 8.309 0.121 2
1 313 . 1 1 A 24 24 VAL HA H 24 3.780 3.657 0.123 2
1 321 . 1 1 A 24 24 VAL C C 24 180.800 177.985 2.815 2
1 322 . 1 1 A 24 24 VAL CA C 24 65.900 66.394 -0.494 2
1 323 . 1 1 A 24 24 VAL CB C 24 32.200 31.463 0.737 2
1 326 . 1 1 A 24 24 VAL N N 24 120.300 119.243 1.057 2
1 327 . 1 1 A 25 25 LYS H H 25 8.380 8.343 0.037 2
1 328 . 1 1 A 25 25 LYS HA H 25 4.030 3.979 0.051 2
1 337 . 1 1 A 25 25 LYS C C 25 178.500 178.459 0.041 2
1 338 . 1 1 A 25 25 LYS CA C 25 59.400 59.339 0.061 2
1 339 . 1 1 A 25 25 LYS CB C 25 32.300 32.199 0.101 2
1 343 . 1 1 A 25 25 LYS N N 25 121.900 120.256 1.644 2
1 344 . 1 1 A 26 26 GLU H H 26 7.360 7.797 -0.437 2
1 345 . 1 1 A 26 26 GLU HA H 26 4.330 4.381 -0.051 2
1 350 . 1 1 A 26 26 GLU C C 26 175.000 175.807 -0.807 2
1 351 . 1 1 A 26 26 GLU CA C 26 56.000 56.396 -0.396 2
1 352 . 1 1 A 26 26 GLU CB C 26 29.800 30.156 -0.356 2
1 354 . 1 1 A 26 26 GLU N N 26 115.000 116.017 -1.017 2
1 355 . 1 1 A 27 27 GLU H H 27 7.980 7.880 0.100 2
1 356 . 1 1 A 27 27 GLU HA H 27 3.950 3.843 0.107 2
1 361 . 1 1 A 27 27 GLU C C 27 175.900 175.141 0.759 2
1 362 . 1 1 A 27 27 GLU CA C 27 56.900 57.387 -0.487 2
1 363 . 1 1 A 27 27 GLU CB C 27 27.100 27.358 -0.258 2
1 365 . 1 1 A 27 27 GLU N N 27 116.300 117.112 -0.812 2
1 366 . 1 1 A 28 28 VAL H H 28 7.370 7.463 -0.092 2
1 367 . 1 1 A 28 28 VAL HA H 28 4.200 4.217 -0.017 2
1 375 . 1 1 A 28 28 VAL C C 28 176.700 175.808 0.892 2
1 376 . 1 1 A 28 28 VAL CA C 28 61.600 61.623 -0.023 2
1 377 . 1 1 A 28 28 VAL CB C 28 32.600 32.653 -0.053 2
1 380 . 1 1 A 28 28 VAL N N 28 112.200 115.794 -3.594 2
1 381 . 1 1 A 29 29 THR H H 29 7.400 8.738 -1.338 2
1 382 . 1 1 A 29 29 THR HA H 29 4.640 4.800 -0.160 2
1 387 . 1 1 A 29 29 THR CA C 29 59.900 60.081 -0.181 2
1 388 . 1 1 A 29 29 THR CB C 29 67.900 69.009 -1.109 2
1 390 . 1 1 A 29 29 THR N N 29 113.900 115.889 -1.989 2
1 391 . 1 1 A 30 30 PRO HA H 30 4.130 4.210 -0.080 2
1 398 . 1 1 A 30 30 PRO C C 30 177.600 178.149 -0.549 2
1 399 . 1 1 A 30 30 PRO CA C 30 66.300 65.809 0.491 2
1 400 . 1 1 A 30 30 PRO CB C 30 31.500 31.695 -0.195 2
1 403 . 1 1 A 31 31 ASP H H 31 8.390 8.365 0.025 2
1 404 . 1 1 A 31 31 ASP HA H 31 4.240 4.365 -0.125 2
1 407 . 1 1 A 31 31 ASP C C 31 178.900 178.806 0.094 2
1 408 . 1 1 A 31 31 ASP CA C 31 57.000 57.172 -0.172 2
1 409 . 1 1 A 31 31 ASP CB C 31 40.000 40.742 -0.742 2
1 410 . 1 1 A 31 31 ASP N N 31 113.200 117.418 -4.218 2
1 411 . 1 1 A 32 32 LEU H H 32 7.460 7.918 -0.458 2
1 412 . 1 1 A 32 32 LEU HA H 32 4.190 4.108 0.082 2
1 422 . 1 1 A 32 32 LEU C C 32 178.900 178.406 0.494 2
1 423 . 1 1 A 32 32 LEU CA C 32 57.000 57.799 -0.799 2
1 424 . 1 1 A 32 32 LEU CB C 32 41.300 41.369 -0.069 2
1 428 . 1 1 A 32 32 LEU N N 32 123.000 121.124 1.876 2
1 429 . 1 1 A 33 33 ALA H H 33 8.930 8.605 0.325 2
1 430 . 1 1 A 33 33 ALA HA H 33 3.730 4.128 -0.398 2
1 434 . 1 1 A 33 33 ALA C C 33 179.800 180.013 -0.213 2
1 435 . 1 1 A 33 33 ALA CA C 33 55.900 55.303 0.597 2
1 436 . 1 1 A 33 33 ALA CB C 33 19.100 18.291 0.809 2
1 437 . 1 1 A 33 33 ALA N N 33 122.700 120.916 1.784 2
1 438 . 1 1 A 34 34 LEU H H 34 8.420 8.222 0.198 2
1 439 . 1 1 A 34 34 LEU HA H 34 4.010 3.907 0.103 2
1 449 . 1 1 A 34 34 LEU C C 34 179.700 178.842 0.858 2
1 450 . 1 1 A 34 34 LEU CA C 34 58.200 58.032 0.168 2
1 451 . 1 1 A 34 34 LEU CB C 34 41.200 41.519 -0.319 2
1 455 . 1 1 A 34 34 LEU N N 34 115.800 118.270 -2.470 2
1 456 . 1 1 A 35 35 MET H H 35 7.730 8.331 -0.601 2
1 457 . 1 1 A 35 35 MET HA H 35 4.240 4.151 0.089 2
1 465 . 1 1 A 35 35 MET C C 35 179.500 178.158 1.342 2
1 466 . 1 1 A 35 35 MET CA C 35 59.300 58.599 0.701 2
1 467 . 1 1 A 35 35 MET CB C 35 32.900 32.172 0.728 2
1 470 . 1 1 A 35 35 MET N N 35 121.400 118.384 3.016 2
1 471 . 1 1 A 36 36 CYS H H 36 8.420 8.300 0.120 2
1 472 . 1 1 A 36 36 CYS HA H 36 3.950 4.166 -0.216 2
1 475 . 1 1 A 36 36 CYS C C 36 177.000 177.153 -0.153 2
1 476 . 1 1 A 36 36 CYS CA C 36 64.200 63.585 0.615 2
1 477 . 1 1 A 36 36 CYS CB C 36 27.200 27.807 -0.607 2
1 478 . 1 1 A 36 36 CYS N N 36 118.600 117.729 0.871 2
1 479 . 1 1 A 37 37 LEU H H 37 9.020 8.683 0.337 2
1 480 . 1 1 A 37 37 LEU HA H 37 3.940 3.991 -0.051 2
1 490 . 1 1 A 37 37 LEU C C 37 179.100 179.271 -0.171 2
1 491 . 1 1 A 37 37 LEU CA C 37 58.300 58.554 -0.254 2
1 492 . 1 1 A 37 37 LEU CB C 37 42.200 42.016 0.184 2
1 496 . 1 1 A 37 37 LEU N N 37 119.600 120.843 -1.243 2
1 497 . 1 1 A 38 38 GLY H H 38 8.940 8.623 0.317 2
1 498 . 1 1 A 38 38 GLY HA2 H 38 3.610 3.773 -0.163 2
1 499 . 1 1 A 38 38 GLY HA3 H 38 3.970 3.787 0.183 2
1 500 . 1 1 A 38 38 GLY C C 38 179.800 175.956 3.844 2
1 501 . 1 1 A 38 38 GLY CA C 38 47.900 47.387 0.513 2
1 502 . 1 1 A 38 38 GLY N N 38 106.600 105.536 1.064 2
1 503 . 1 1 A 39 39 ASN H H 39 7.790 7.804 -0.014 2
1 504 . 1 1 A 39 39 ASN HA H 39 4.440 4.455 -0.015 2
1 509 . 1 1 A 39 39 ASN C C 39 178.000 177.724 0.276 2
1 510 . 1 1 A 39 39 ASN CA C 39 56.300 56.316 -0.016 2
1 511 . 1 1 A 39 39 ASN CB C 39 39.500 38.503 0.997 2
1 513 . 1 1 A 39 39 ASN N N 39 120.900 120.011 0.889 2
1 515 . 1 1 A 40 40 ALA H H 40 8.260 7.725 0.535 2
1 516 . 1 1 A 40 40 ALA HA H 40 3.970 4.072 -0.102 2
1 520 . 1 1 A 40 40 ALA C C 40 178.200 179.792 -1.592 2
1 521 . 1 1 A 40 40 ALA CA C 40 55.900 55.188 0.712 2
1 522 . 1 1 A 40 40 ALA CB C 40 17.200 18.356 -1.156 2
1 523 . 1 1 A 40 40 ALA N N 40 123.900 122.670 1.230 2
1 524 . 1 1 A 41 41 VAL H H 41 8.410 8.276 0.134 2
1 525 . 1 1 A 41 41 VAL HA H 41 3.180 3.356 -0.176 2
1 533 . 1 1 A 41 41 VAL C C 41 177.800 178.462 -0.662 2
1 534 . 1 1 A 41 41 VAL CA C 41 67.000 67.177 -0.177 2
1 535 . 1 1 A 41 41 VAL CB C 41 30.900 31.506 -0.606 2
1 538 . 1 1 A 41 41 VAL N N 41 116.900 118.113 -1.213 2
1 539 . 1 1 A 42 42 THR H H 42 8.210 8.113 0.097 2
1 540 . 1 1 A 42 42 THR HA H 42 3.430 3.822 -0.392 2
1 545 . 1 1 A 42 42 THR C C 42 175.900 176.311 -0.411 2
1 546 . 1 1 A 42 42 THR CA C 42 67.500 66.564 0.936 2
1 547 . 1 1 A 42 42 THR CB C 42 68.000 68.402 -0.402 2
1 549 . 1 1 A 42 42 THR N N 42 114.800 115.683 -0.883 2
1 550 . 1 1 A 43 43 ASN H H 43 7.600 8.070 -0.470 2
1 551 . 1 1 A 43 43 ASN HA H 43 4.170 4.456 -0.286 2
1 556 . 1 1 A 43 43 ASN C C 43 177.300 177.619 -0.319 2
1 557 . 1 1 A 43 43 ASN CA C 43 57.000 56.380 0.621 2
1 558 . 1 1 A 43 43 ASN CB C 43 39.400 38.965 0.435 2
1 560 . 1 1 A 43 43 ASN N N 43 120.300 118.938 1.362 2
1 562 . 1 1 A 44 44 ILE H H 44 7.630 7.509 0.121 2
1 563 . 1 1 A 44 44 ILE HA H 44 3.770 3.749 0.021 2
1 573 . 1 1 A 44 44 ILE C C 44 179.200 178.335 0.865 2
1 574 . 1 1 A 44 44 ILE CA C 44 62.100 64.379 -2.279 2
1 575 . 1 1 A 44 44 ILE CB C 44 35.700 37.874 -2.174 2
1 579 . 1 1 A 44 44 ILE N N 44 119.700 118.977 0.723 2
1 580 . 1 1 A 45 45 ILE H H 45 8.460 8.166 0.294 2
1 581 . 1 1 A 45 45 ILE HA H 45 3.550 3.760 -0.210 2
1 591 . 1 1 A 45 45 ILE C C 45 177.100 177.848 -0.748 2
1 592 . 1 1 A 45 45 ILE CA C 45 65.100 64.658 0.442 2
1 593 . 1 1 A 45 45 ILE CB C 45 36.600 36.962 -0.362 2
1 597 . 1 1 A 45 45 ILE N N 45 120.300 120.184 0.116 2
1 598 . 1 1 A 46 46 ALA H H 46 7.750 7.783 -0.033 2
1 599 . 1 1 A 46 46 ALA HA H 46 3.950 4.120 -0.170 2
1 603 . 1 1 A 46 46 ALA C C 46 178.000 178.252 -0.252 2
1 604 . 1 1 A 46 46 ALA CA C 46 54.000 54.139 -0.139 2
1 605 . 1 1 A 46 46 ALA CB C 46 17.900 18.259 -0.359 2
1 606 . 1 1 A 46 46 ALA N N 46 120.000 123.276 -3.276 2
1 607 . 1 1 A 47 47 GLN H H 47 7.610 7.586 0.024 2
1 608 . 1 1 A 47 47 GLN HA H 47 4.190 4.374 -0.184 2
1 615 . 1 1 A 47 47 GLN C C 47 177.100 175.726 1.374 2
1 616 . 1 1 A 47 47 GLN CA C 47 56.000 56.208 -0.208 2
1 617 . 1 1 A 47 47 GLN CB C 47 29.000 29.570 -0.570 2
1 620 . 1 1 A 47 47 GLN N N 47 114.000 115.132 -1.132 2
1 622 . 1 1 A 48 48 VAL H H 48 7.740 7.432 0.308 2
1 623 . 1 1 A 48 48 VAL HA H 48 4.390 4.248 0.142 2
1 631 . 1 1 A 48 48 VAL CA C 48 59.900 59.757 0.143 2
1 632 . 1 1 A 48 48 VAL CB C 48 31.900 32.423 -0.523 2
1 635 . 1 1 A 48 48 VAL N N 48 122.400 120.592 1.808 2
1 636 . 1 1 A 49 49 PRO HA H 49 4.340 4.528 -0.188 2
1 643 . 1 1 A 49 49 PRO C C 49 177.700 177.781 -0.082 2
1 644 . 1 1 A 49 49 PRO CA C 49 63.700 63.091 0.609 2
1 645 . 1 1 A 49 49 PRO CB C 49 32.300 32.516 -0.216 2
1 648 . 1 1 A 50 50 GLU H H 50 8.960 8.818 0.142 2
1 649 . 1 1 A 50 50 GLU HA H 50 3.580 3.966 -0.386 2
1 654 . 1 1 A 50 50 GLU C C 50 178.300 178.523 -0.223 2
1 655 . 1 1 A 50 50 GLU CA C 50 60.800 59.618 1.182 2
1 656 . 1 1 A 50 50 GLU CB C 50 29.900 29.427 0.473 2
1 658 . 1 1 A 50 50 GLU N N 50 124.400 123.903 0.497 2
1 659 . 1 1 A 51 51 SER H H 51 8.640 8.184 0.456 2
1 660 . 1 1 A 51 51 SER HA H 51 4.240 4.198 0.042 2
1 663 . 1 1 A 51 51 SER C C 51 175.200 175.235 -0.035 2
1 664 . 1 1 A 51 51 SER CA C 51 60.600 61.297 -0.696 2
1 665 . 1 1 A 51 51 SER CB C 51 62.600 63.088 -0.488 2
1 666 . 1 1 A 51 51 SER N N 51 112.000 115.759 -3.759 2
1 667 . 1 1 A 52 52 LYS H H 52 7.950 8.075 -0.125 2
1 668 . 1 1 A 52 52 LYS HA H 52 4.650 4.496 0.154 2
1 677 . 1 1 A 52 52 LYS C C 52 176.700 178.118 -1.418 2
1 678 . 1 1 A 52 52 LYS CA C 52 55.500 56.434 -0.934 2
1 679 . 1 1 A 52 52 LYS CB C 52 34.000 33.126 0.874 2
1 683 . 1 1 A 52 52 LYS N N 52 119.600 117.948 1.652 2
1 684 . 1 1 A 53 53 ARG H H 53 7.290 7.786 -0.496 2
1 685 . 1 1 A 53 53 ARG HA H 53 3.530 4.084 -0.554 2
1 695 . 1 1 A 53 53 ARG C C 53 177.300 178.793 -1.493 2
1 696 . 1 1 A 53 53 ARG CA C 53 61.700 58.811 2.889 2
1 697 . 1 1 A 53 53 ARG CB C 53 30.800 29.888 0.912 2
1 700 . 1 1 A 53 53 ARG N N 53 119.000 120.682 -1.682 2
1 702 . 1 1 A 54 54 VAL H H 54 8.440 7.849 0.591 2
1 703 . 1 1 A 54 54 VAL HA H 54 3.460 3.655 -0.195 2
1 711 . 1 1 A 54 54 VAL C C 54 177.400 177.896 -0.496 2
1 712 . 1 1 A 54 54 VAL CA C 54 67.200 66.280 0.920 2
1 713 . 1 1 A 54 54 VAL CB C 54 31.000 31.400 -0.400 2
1 716 . 1 1 A 54 54 VAL N N 54 118.400 119.725 -1.325 2
1 717 . 1 1 A 55 55 ALA H H 55 8.120 8.064 0.056 2
1 718 . 1 1 A 55 55 ALA HA H 55 4.180 4.066 0.114 2
1 722 . 1 1 A 55 55 ALA C C 55 180.700 179.703 0.997 2
1 723 . 1 1 A 55 55 ALA CA C 55 55.000 55.337 -0.337 2
1 724 . 1 1 A 55 55 ALA CB C 55 17.900 18.287 -0.387 2
1 725 . 1 1 A 55 55 ALA N N 55 122.300 122.254 0.046 2
1 726 . 1 1 A 56 56 VAL H H 56 8.040 8.136 -0.096 2
1 727 . 1 1 A 56 56 VAL HA H 56 3.780 3.727 0.053 2
1 735 . 1 1 A 56 56 VAL C C 56 179.400 178.099 1.301 2
1 736 . 1 1 A 56 56 VAL CA C 56 66.700 65.733 0.967 2
1 737 . 1 1 A 56 56 VAL CB C 56 31.400 31.655 -0.255 2
1 740 . 1 1 A 56 56 VAL N N 56 117.900 117.017 0.883 2
1 741 . 1 1 A 57 57 VAL H H 57 8.510 7.654 0.856 2
1 742 . 1 1 A 57 57 VAL HA H 57 3.760 3.842 -0.082 2
1 750 . 1 1 A 57 57 VAL C C 57 177.900 177.323 0.577 2
1 751 . 1 1 A 57 57 VAL CA C 57 66.700 65.194 1.506 2
1 752 . 1 1 A 57 57 VAL CB C 57 31.400 31.469 -0.069 2
1 755 . 1 1 A 57 57 VAL N N 57 121.600 122.323 -0.723 2
1 756 . 1 1 A 58 58 ASP H H 58 8.800 8.073 0.727 2
1 757 . 1 1 A 58 58 ASP HA H 58 4.420 4.496 -0.076 2
1 760 . 1 1 A 58 58 ASP C C 58 178.500 178.793 -0.293 2
1 761 . 1 1 A 58 58 ASP CA C 58 57.800 57.446 0.354 2
1 762 . 1 1 A 58 58 ASP CB C 58 40.000 40.958 -0.958 2
1 763 . 1 1 A 58 58 ASP N N 58 124.800 121.903 2.897 2
1 764 . 1 1 A 59 59 ASN H H 59 8.500 8.285 0.215 2
1 765 . 1 1 A 59 59 ASN HA H 59 4.460 4.475 -0.015 2
1 770 . 1 1 A 59 59 ASN C C 59 177.700 177.829 -0.129 2
1 771 . 1 1 A 59 59 ASN CA C 59 56.500 56.350 0.150 2
1 772 . 1 1 A 59 59 ASN CB C 59 38.300 38.137 0.163 2
1 774 . 1 1 A 59 59 ASN N N 59 118.800 117.586 1.214 2
1 776 . 1 1 A 60 60 PHE H H 60 8.540 8.210 0.330 2
1 777 . 1 1 A 60 60 PHE HA H 60 4.210 4.131 0.079 2
1 785 . 1 1 A 60 60 PHE C C 60 177.700 177.494 0.206 2
1 786 . 1 1 A 60 60 PHE CA C 60 61.600 61.605 -0.005 2
1 787 . 1 1 A 60 60 PHE CB C 60 39.800 39.190 0.610 2
1 793 . 1 1 A 60 60 PHE N N 60 121.800 122.467 -0.667 2
1 794 . 1 1 A 61 61 THR H H 61 8.820 8.512 0.308 2
1 795 . 1 1 A 61 61 THR HA H 61 3.820 3.994 -0.174 2
1 801 . 1 1 A 61 61 THR C C 61 176.700 176.661 0.039 2
1 802 . 1 1 A 61 61 THR CA C 61 66.200 66.185 0.015 2
1 803 . 1 1 A 61 61 THR CB C 61 68.400 68.585 -0.185 2
1 805 . 1 1 A 61 61 THR N N 61 112.200 111.378 0.822 2
1 806 . 1 1 A 62 62 LYS H H 62 8.190 8.238 -0.048 2
1 807 . 1 1 A 62 62 LYS HA H 62 4.010 3.960 0.050 2
1 816 . 1 1 A 62 62 LYS C C 62 179.100 178.527 0.573 2
1 817 . 1 1 A 62 62 LYS CA C 62 60.100 59.349 0.751 2
1 818 . 1 1 A 62 62 LYS CB C 62 32.500 32.364 0.136 2
1 822 . 1 1 A 62 62 LYS N N 62 124.000 121.978 2.022 2
1 823 . 1 1 A 63 63 ALA H H 63 7.800 8.084 -0.284 2
1 824 . 1 1 A 63 63 ALA HA H 63 4.070 4.045 0.025 2
1 828 . 1 1 A 63 63 ALA C C 63 180.400 180.042 0.358 2
1 829 . 1 1 A 63 63 ALA CA C 63 54.700 54.938 -0.238 2
1 830 . 1 1 A 63 63 ALA CB C 63 17.800 18.159 -0.359 2
1 831 . 1 1 A 63 63 ALA N N 63 121.500 120.808 0.692 2
1 832 . 1 1 A 64 64 LEU H H 64 7.850 8.032 -0.182 2
1 833 . 1 1 A 64 64 LEU HA H 64 3.900 3.824 0.076 2
1 843 . 1 1 A 64 64 LEU C C 64 178.600 178.971 -0.371 2
1 844 . 1 1 A 64 64 LEU CA C 64 57.300 57.915 -0.615 2
1 845 . 1 1 A 64 64 LEU CB C 64 41.900 41.681 0.219 2
1 849 . 1 1 A 64 64 LEU N N 64 120.100 119.105 0.995 2
1 850 . 1 1 A 65 65 LYS H H 65 7.970 7.898 0.072 2
1 851 . 1 1 A 65 65 LYS HA H 65 3.730 3.890 -0.160 2
1 860 . 1 1 A 65 65 LYS C C 65 178.300 179.468 -1.168 2
1 861 . 1 1 A 65 65 LYS CA C 65 60.400 60.127 0.273 2
1 862 . 1 1 A 65 65 LYS CB C 65 31.900 32.027 -0.127 2
1 866 . 1 1 A 65 65 LYS N N 65 118.100 117.525 0.575 2
1 867 . 1 1 A 66 66 GLN H H 66 7.820 7.896 -0.075 2
1 868 . 1 1 A 66 66 GLN HA H 66 3.950 4.075 -0.125 2
1 875 . 1 1 A 66 66 GLN C C 66 178.000 178.089 -0.089 2
1 876 . 1 1 A 66 66 GLN CA C 66 58.700 58.676 0.024 2
1 877 . 1 1 A 66 66 GLN CB C 66 28.200 28.426 -0.226 2
1 880 . 1 1 A 66 66 GLN N N 66 116.800 119.364 -2.564 2
1 882 . 1 1 A 67 67 SER H H 67 8.060 8.137 -0.077 2
1 883 . 1 1 A 67 67 SER HA H 67 4.150 4.315 -0.165 2
1 886 . 1 1 A 67 67 SER C C 67 176.900 176.369 0.531 2
1 887 . 1 1 A 67 67 SER CA C 67 61.500 61.306 0.194 2
1 888 . 1 1 A 67 67 SER CB C 67 63.000 63.046 -0.046 2
1 889 . 1 1 A 67 67 SER N N 67 114.200 116.404 -2.204 2
1 890 . 1 1 A 68 68 VAL H H 68 7.860 7.872 -0.012 2
1 891 . 1 1 A 68 68 VAL HA H 68 3.850 3.759 0.091 2
1 899 . 1 1 A 68 68 VAL C C 68 177.600 178.062 -0.462 2
1 900 . 1 1 A 68 68 VAL CA C 68 64.900 66.091 -1.191 2
1 901 . 1 1 A 68 68 VAL CB C 68 32.000 31.720 0.280 2
1 904 . 1 1 A 68 68 VAL N N 68 119.300 121.527 -2.227 2
1 905 . 1 1 A 69 69 LEU H H 69 7.880 8.029 -0.149 2
1 906 . 1 1 A 69 69 LEU HA H 69 4.150 4.050 0.100 2
1 916 . 1 1 A 69 69 LEU C C 69 178.400 177.966 0.434 2
1 917 . 1 1 A 69 69 LEU CA C 69 56.500 57.618 -1.118 2
1 918 . 1 1 A 69 69 LEU CB C 69 41.800 41.541 0.259 2
1 922 . 1 1 A 69 69 LEU N N 69 119.800 119.594 0.206 2
1 923 . 1 1 A 70 70 GLU H H 70 7.820 7.950 -0.130 2
1 924 . 1 1 A 70 70 GLU HA H 70 4.130 4.390 -0.260 2
1 929 . 1 1 A 70 70 GLU C C 70 176.700 176.731 -0.031 2
1 930 . 1 1 A 70 70 GLU CA C 70 56.900 57.035 -0.135 2
1 931 . 1 1 A 70 70 GLU CB C 70 29.800 29.997 -0.197 2
1 933 . 1 1 A 70 70 GLU N N 70 118.000 118.170 -0.170 2
1 934 . 1 1 A 71 71 HIS H H 71 7.950 8.111 -0.161 2
1 935 . 1 1 A 71 71 HIS HA H 71 4.460 4.594 -0.134 2
1 938 . 1 1 A 71 71 HIS C C 71 174.700 174.936 -0.236 2
1 939 . 1 1 A 71 71 HIS CA C 71 56.300 56.173 0.127 2
1 940 . 1 1 A 71 71 HIS CB C 71 28.800 29.667 -0.867 2
1 941 . 1 1 A 71 71 HIS N N 71 117.800 120.939 -3.139 2
1 942 . 1 1 A 72 72 HIS H H 72 8.260 8.027 0.233 2
1 943 . 1 1 A 72 72 HIS HA H 72 4.590 4.447 0.143 2
1 946 . 1 1 A 72 72 HIS C C 72 174.500 174.448 0.052 2
1 947 . 1 1 A 72 72 HIS CA C 72 55.700 56.656 -0.956 2
1 948 . 1 1 A 72 72 HIS CB C 72 29.600 30.420 -0.820 2
1 949 . 1 1 A 72 72 HIS N N 72 119.100 119.601 -0.501 2
1 950 . 1 1 A 73 73 HIS H H 73 8.420 8.242 0.178 2
1 951 . 1 1 A 73 73 HIS HA H 73 4.580 4.646 -0.066 2
1 954 . 1 1 A 73 73 HIS C C 73 174.400 174.378 0.022 2
1 955 . 1 1 A 73 73 HIS CA C 73 55.500 55.673 -0.173 2
1 956 . 1 1 A 73 73 HIS CB C 73 29.600 30.917 -1.317 2
1 957 . 1 1 A 73 73 HIS N N 73 119.700 119.364 0.336 2
1 958 . 1 1 A 74 74 HIS H H 74 8.470 8.569 -0.099 2
1 959 . 1 1 A 74 74 HIS HA H 74 4.570 4.622 -0.052 2
1 962 . 1 1 A 74 74 HIS C C 74 173.600 174.458 -0.858 2
1 963 . 1 1 A 74 74 HIS CA C 74 55.600 55.929 -0.329 2
1 964 . 1 1 A 74 74 HIS CB C 74 29.500 30.565 -1.065 2
1 965 . 1 1 A 74 74 HIS N N 74 120.500 120.457 0.043 2
1 966 . 1 1 A 75 75 HIS H H 75 8.290 8.526 -0.236 2
1 967 . 1 1 A 75 75 HIS HA H 75 4.400 4.576 -0.176 2
1 970 . 1 1 A 75 75 HIS CA C 75 57.100 56.439 0.661 2
1 971 . 1 1 A 75 75 HIS CB C 75 29.700 30.594 -0.894 2
stop_
save_