data_15456_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15456
_Entry.PDB_ID 2JUW
_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 ALA HA H 2 4.140 4.980 -0.840 1
1 5 . 1 1 1 A 2 2 ALA C C 2 173.800 176.076 -2.276 1
1 6 . 1 1 1 A 2 2 ALA CA C 2 51.800 50.380 1.420 1
1 7 . 1 1 1 A 2 2 ALA CB C 2 19.600 20.213 -0.613 1
1 8 . 1 1 1 A 3 3 ILE H H 3 8.540 9.136 -0.596 1
1 9 . 1 1 1 A 3 3 ILE HA H 3 4.190 4.619 -0.429 1
1 19 . 1 1 1 A 3 3 ILE C C 3 176.000 174.811 1.189 1
1 20 . 1 1 1 A 3 3 ILE CA C 3 61.300 60.389 0.911 1
1 21 . 1 1 1 A 3 3 ILE CB C 3 38.800 39.118 -0.318 1
1 25 . 1 1 1 A 3 3 ILE N N 3 120.500 124.352 -3.852 1
1 26 . 1 1 1 A 4 4 GLN H H 4 8.570 8.539 0.031 1
1 27 . 1 1 1 A 4 4 GLN HA H 4 4.400 4.500 -0.100 1
1 34 . 1 1 1 A 4 4 GLN C C 4 175.700 175.432 0.268 1
1 35 . 1 1 1 A 4 4 GLN CA C 4 55.800 55.755 0.045 1
1 36 . 1 1 1 A 4 4 GLN CB C 4 29.600 28.988 0.612 1
1 39 . 1 1 1 A 4 4 GLN N N 4 125.100 128.172 -3.072 1
1 41 . 1 1 1 A 5 5 SER H H 5 8.440 8.650 -0.210 1
1 42 . 1 1 1 A 5 5 SER HA H 5 4.420 4.784 -0.364 1
1 45 . 1 1 1 A 5 5 SER C C 5 174.300 174.272 0.028 1
1 46 . 1 1 1 A 5 5 SER CA C 5 58.200 57.783 0.417 1
1 47 . 1 1 1 A 5 5 SER CB C 5 64.000 64.993 -0.993 1
1 48 . 1 1 1 A 5 5 SER N N 5 118.100 120.495 -2.395 1
1 49 . 1 1 1 A 6 6 LYS H H 6 8.320 8.590 -0.270 1
1 50 . 1 1 1 A 6 6 LYS HA H 6 4.110 4.156 -0.046 1
1 59 . 1 1 1 A 6 6 LYS C C 6 176.000 176.917 -0.917 1
1 60 . 1 1 1 A 6 6 LYS CA C 6 57.200 59.956 -2.756 1
1 61 . 1 1 1 A 6 6 LYS CB C 6 33.100 32.811 0.289 1
1 65 . 1 1 1 A 6 6 LYS N N 6 123.600 125.651 -2.051 1
1 66 . 1 1 1 A 7 7 TYR H H 7 8.000 7.693 0.307 1
1 67 . 1 1 1 A 7 7 TYR HA H 7 4.800 4.749 0.051 1
1 74 . 1 1 1 A 7 7 TYR C C 7 175.800 175.190 0.610 1
1 75 . 1 1 1 A 7 7 TYR CA C 7 57.000 56.309 0.691 1
1 76 . 1 1 1 A 7 7 TYR CB C 7 39.900 38.271 1.629 1
1 81 . 1 1 1 A 7 7 TYR N N 7 118.900 117.160 1.740 1
1 82 . 1 1 1 A 8 8 SER H H 8 8.770 8.894 -0.124 1
1 83 . 1 1 1 A 8 8 SER HA H 8 4.510 4.419 0.091 1
1 86 . 1 1 1 A 8 8 SER C C 8 175.000 175.896 -0.896 1
1 87 . 1 1 1 A 8 8 SER CA C 8 57.500 58.871 -1.371 1
1 88 . 1 1 1 A 8 8 SER CB C 8 64.700 64.174 0.526 1
1 89 . 1 1 1 A 8 8 SER N N 8 118.600 121.740 -3.140 1
1 90 . 1 1 1 A 9 9 ASN H H 9 8.910 9.158 -0.248 1
1 91 . 1 1 1 A 9 9 ASN HA H 9 4.540 4.424 0.116 1
1 96 . 1 1 1 A 9 9 ASN C C 9 177.200 177.853 -0.653 1
1 97 . 1 1 1 A 9 9 ASN CA C 9 55.900 55.818 0.082 1
1 98 . 1 1 1 A 9 9 ASN CB C 9 38.200 37.438 0.762 1
1 100 . 1 1 1 A 9 9 ASN N N 9 121.400 122.110 -0.710 1
1 102 . 1 1 1 A 10 10 THR H H 10 8.180 7.949 0.231 1
1 103 . 1 1 1 A 10 10 THR HA H 10 4.070 3.904 0.166 1
1 108 . 1 1 1 A 10 10 THR C C 10 176.600 176.192 0.408 1
1 109 . 1 1 1 A 10 10 THR CA C 10 65.300 67.179 -1.879 1
1 110 . 1 1 1 A 10 10 THR CB C 10 68.800 68.392 0.408 1
1 112 . 1 1 1 A 10 10 THR N N 10 113.500 116.634 -3.134 1
1 113 . 1 1 1 A 11 11 GLN H H 11 7.950 8.248 -0.298 1
1 114 . 1 1 1 A 11 11 GLN HA H 11 4.160 3.992 0.168 1
1 121 . 1 1 1 A 11 11 GLN C C 11 178.400 178.215 0.185 1
1 122 . 1 1 1 A 11 11 GLN CA C 11 59.000 58.950 0.050 1
1 123 . 1 1 1 A 11 11 GLN CB C 11 29.200 28.750 0.450 1
1 126 . 1 1 1 A 11 11 GLN N N 11 122.500 121.942 0.558 1
1 128 . 1 1 1 A 12 12 VAL H H 12 7.850 8.472 -0.622 1
1 129 . 1 1 1 A 12 12 VAL HA H 12 3.540 3.558 -0.018 1
1 137 . 1 1 1 A 12 12 VAL C C 12 177.400 178.086 -0.686 1
1 138 . 1 1 1 A 12 12 VAL CA C 12 66.400 67.078 -0.678 1
1 139 . 1 1 1 A 12 12 VAL CB C 12 32.300 31.560 0.740 1
1 142 . 1 1 1 A 12 12 VAL N N 12 119.000 119.487 -0.487 1
1 143 . 1 1 1 A 13 13 GLU H H 13 8.550 8.600 -0.050 1
1 144 . 1 1 1 A 13 13 GLU HA H 13 3.910 3.939 -0.029 1
1 149 . 1 1 1 A 13 13 GLU C C 13 179.500 178.794 0.706 1
1 150 . 1 1 1 A 13 13 GLU CA C 13 59.700 59.925 -0.225 1
1 151 . 1 1 1 A 13 13 GLU CB C 13 29.100 29.346 -0.246 1
1 153 . 1 1 1 A 13 13 GLU N N 13 118.300 120.535 -2.235 1
1 154 . 1 1 1 A 14 14 SER H H 14 8.080 8.045 0.035 1
1 155 . 1 1 1 A 14 14 SER HA H 14 4.260 4.217 0.043 1
1 158 . 1 1 1 A 14 14 SER C C 14 176.200 176.200 0.000 1
1 159 . 1 1 1 A 14 14 SER CA C 14 61.700 62.223 -0.523 1
1 160 . 1 1 1 A 14 14 SER CB C 14 62.800 62.809 -0.009 1
1 161 . 1 1 1 A 14 14 SER N N 14 114.600 115.957 -1.357 1
1 162 . 1 1 1 A 15 15 LEU H H 15 7.110 8.141 -1.031 1
1 163 . 1 1 1 A 15 15 LEU HA H 15 3.690 4.092 -0.402 1
1 173 . 1 1 1 A 15 15 LEU C C 15 177.800 178.598 -0.798 1
1 174 . 1 1 1 A 15 15 LEU CA C 15 57.700 58.065 -0.365 1
1 175 . 1 1 1 A 15 15 LEU CB C 15 42.300 41.740 0.560 1
1 179 . 1 1 1 A 15 15 LEU N N 15 122.200 122.576 -0.376 1
1 180 . 1 1 1 A 16 16 ILE H H 16 8.030 8.535 -0.505 1
1 181 . 1 1 1 A 16 16 ILE HA H 16 3.220 3.643 -0.423 1
1 191 . 1 1 1 A 16 16 ILE C C 16 177.200 177.764 -0.564 1
1 192 . 1 1 1 A 16 16 ILE CA C 16 66.000 66.070 -0.070 1
1 193 . 1 1 1 A 16 16 ILE CB C 16 39.100 37.871 1.229 1
1 197 . 1 1 1 A 16 16 ILE N N 16 117.900 120.033 -2.133 1
1 198 . 1 1 1 A 17 17 ALA H H 17 7.960 8.604 -0.644 1
1 199 . 1 1 1 A 17 17 ALA HA H 17 3.930 3.987 -0.057 1
1 203 . 1 1 1 A 17 17 ALA C C 17 180.600 179.569 1.031 1
1 204 . 1 1 1 A 17 17 ALA CA C 17 55.400 55.011 0.389 1
1 205 . 1 1 1 A 17 17 ALA CB C 17 18.000 18.278 -0.278 1
1 206 . 1 1 1 A 17 17 ALA N N 17 118.300 121.654 -3.354 1
1 207 . 1 1 1 A 18 18 GLU H H 18 7.630 7.563 0.067 1
1 208 . 1 1 1 A 18 18 GLU HA H 18 4.030 4.112 -0.082 1
1 213 . 1 1 1 A 18 18 GLU C C 18 179.400 179.088 0.312 1
1 214 . 1 1 1 A 18 18 GLU CA C 18 59.800 58.579 1.221 1
1 215 . 1 1 1 A 18 18 GLU CB C 18 30.300 29.516 0.784 1
1 217 . 1 1 1 A 18 18 GLU N N 18 116.300 117.885 -1.585 1
1 218 . 1 1 1 A 19 19 ILE H H 19 8.110 7.642 0.468 1
1 219 . 1 1 1 A 19 19 ILE HA H 19 3.590 3.823 -0.233 1
1 229 . 1 1 1 A 19 19 ILE C C 19 177.800 177.956 -0.156 1
1 230 . 1 1 1 A 19 19 ILE CA C 19 66.500 64.298 2.202 1
1 231 . 1 1 1 A 19 19 ILE CB C 19 37.500 36.986 0.514 1
1 235 . 1 1 1 A 19 19 ILE N N 19 121.100 119.563 1.537 1
1 236 . 1 1 1 A 20 20 LEU H H 20 8.480 8.013 0.467 1
1 237 . 1 1 1 A 20 20 LEU HA H 20 4.020 4.059 -0.039 1
1 247 . 1 1 1 A 20 20 LEU C C 20 180.500 178.858 1.642 1
1 248 . 1 1 1 A 20 20 LEU CA C 20 58.600 57.946 0.654 1
1 249 . 1 1 1 A 20 20 LEU CB C 20 40.400 41.702 -1.302 1
1 253 . 1 1 1 A 20 20 LEU N N 20 118.300 121.151 -2.851 1
1 254 . 1 1 1 A 21 21 VAL H H 21 7.810 8.065 -0.255 1
1 255 . 1 1 1 A 21 21 VAL HA H 21 3.770 3.582 0.188 1
1 263 . 1 1 1 A 21 21 VAL C C 21 178.200 178.401 -0.201 1
1 264 . 1 1 1 A 21 21 VAL CA C 21 66.800 66.738 0.062 1
1 265 . 1 1 1 A 21 21 VAL CB C 21 31.600 31.538 0.062 1
1 268 . 1 1 1 A 21 21 VAL N N 21 119.700 118.969 0.731 1
1 269 . 1 1 1 A 22 22 VAL H H 22 7.530 8.104 -0.574 1
1 270 . 1 1 1 A 22 22 VAL HA H 22 3.610 3.464 0.146 1
1 278 . 1 1 1 A 22 22 VAL C C 22 178.500 177.915 0.585 1
1 279 . 1 1 1 A 22 22 VAL CA C 22 67.300 66.914 0.386 1
1 280 . 1 1 1 A 22 22 VAL CB C 22 31.500 31.322 0.178 1
1 283 . 1 1 1 A 22 22 VAL N N 22 121.400 120.206 1.194 1
1 284 . 1 1 1 A 23 23 LEU H H 23 7.610 8.104 -0.494 1
1 285 . 1 1 1 A 23 23 LEU HA H 23 3.880 3.635 0.245 1
1 295 . 1 1 1 A 23 23 LEU C C 23 179.700 178.948 0.752 1
1 296 . 1 1 1 A 23 23 LEU CA C 23 58.400 58.342 0.058 1
1 297 . 1 1 1 A 23 23 LEU CB C 23 40.900 41.604 -0.704 1
1 301 . 1 1 1 A 23 23 LEU N N 23 116.800 119.215 -2.415 1
1 302 . 1 1 1 A 24 24 GLU H H 24 8.160 8.328 -0.168 1
1 303 . 1 1 1 A 24 24 GLU HA H 24 4.170 3.977 0.193 1
1 308 . 1 1 1 A 24 24 GLU C C 24 180.900 178.640 2.260 1
1 309 . 1 1 1 A 24 24 GLU CA C 24 59.000 59.029 -0.029 1
1 310 . 1 1 1 A 24 24 GLU CB C 24 29.700 29.052 0.648 1
1 312 . 1 1 1 A 24 24 GLU N N 24 119.200 118.976 0.224 1
1 313 . 1 1 1 A 25 25 LYS H H 25 8.980 7.801 1.179 1
1 314 . 1 1 1 A 25 25 LYS HA H 25 4.050 3.984 0.066 1
1 323 . 1 1 1 A 25 25 LYS C C 25 178.600 177.963 0.637 1
1 324 . 1 1 1 A 25 25 LYS CA C 25 59.300 58.914 0.386 1
1 325 . 1 1 1 A 25 25 LYS CB C 25 32.100 32.107 -0.007 1
1 329 . 1 1 1 A 25 25 LYS N N 25 122.900 118.630 4.270 1
1 330 . 1 1 1 A 26 26 HIS H H 26 7.400 6.742 0.658 1
1 331 . 1 1 1 A 26 26 HIS HA H 26 4.460 4.705 -0.245 1
1 336 . 1 1 1 A 26 26 HIS C C 26 173.600 175.015 -1.415 1
1 337 . 1 1 1 A 26 26 HIS CA C 26 56.500 55.749 0.751 1
1 338 . 1 1 1 A 26 26 HIS CB C 26 29.200 30.428 -1.228 1
1 341 . 1 1 1 A 26 26 HIS N N 26 113.800 110.883 2.917 1
1 342 . 1 1 1 A 27 27 LYS H H 27 8.200 7.949 0.251 1
1 343 . 1 1 1 A 27 27 LYS HA H 27 3.950 3.843 0.107 1
1 352 . 1 1 1 A 27 27 LYS C C 27 176.500 175.936 0.564 1
1 353 . 1 1 1 A 27 27 LYS CA C 27 56.600 57.025 -0.425 1
1 354 . 1 1 1 A 27 27 LYS CB C 27 29.600 30.165 -0.565 1
1 358 . 1 1 1 A 27 27 LYS N N 27 119.500 117.916 1.584 1
1 359 . 1 1 1 A 28 28 ALA H H 28 7.760 7.350 0.410 1
1 360 . 1 1 1 A 28 28 ALA HA H 28 4.490 4.390 0.100 1
1 364 . 1 1 1 A 28 28 ALA CA C 28 51.000 51.045 -0.045 1
1 365 . 1 1 1 A 28 28 ALA CB C 28 19.200 19.127 0.073 1
1 366 . 1 1 1 A 28 28 ALA N N 28 121.500 123.126 -1.626 1
1 367 . 1 1 1 A 29 29 PRO HA H 29 4.720 4.532 0.188 1
1 374 . 1 1 1 A 29 29 PRO C C 29 177.400 177.166 0.234 1
1 375 . 1 1 1 A 29 29 PRO CA C 29 62.100 62.577 -0.477 1
1 376 . 1 1 1 A 29 29 PRO CB C 29 33.000 32.535 0.465 1
1 379 . 1 1 1 A 30 30 THR H H 30 8.830 8.735 0.095 1
1 380 . 1 1 1 A 30 30 THR HA H 30 3.680 3.968 -0.288 1
1 385 . 1 1 1 A 30 30 THR C C 30 175.200 176.307 -1.107 1
1 386 . 1 1 1 A 30 30 THR CA C 30 67.400 65.578 1.822 1
1 387 . 1 1 1 A 30 30 THR CB C 30 68.500 68.420 0.080 1
1 389 . 1 1 1 A 30 30 THR N N 30 120.400 115.937 4.463 1
1 390 . 1 1 1 A 31 31 ASP H H 31 8.880 8.227 0.653 1
1 391 . 1 1 1 A 31 31 ASP HA H 31 4.220 4.286 -0.066 1
1 394 . 1 1 1 A 31 31 ASP C C 31 179.000 178.542 0.458 1
1 395 . 1 1 1 A 31 31 ASP CA C 31 57.400 57.645 -0.245 1
1 396 . 1 1 1 A 31 31 ASP CB C 31 38.700 41.739 -3.039 1
1 397 . 1 1 1 A 31 31 ASP N N 31 118.600 122.343 -3.743 1
1 398 . 1 1 1 A 32 32 LEU H H 32 7.540 7.812 -0.272 1
1 399 . 1 1 1 A 32 32 LEU HA H 32 3.970 4.102 -0.132 1
1 409 . 1 1 1 A 32 32 LEU C C 32 178.100 178.953 -0.853 1
1 410 . 1 1 1 A 32 32 LEU CA C 32 57.500 57.409 0.091 1
1 411 . 1 1 1 A 32 32 LEU CB C 32 40.600 41.609 -1.009 1
1 415 . 1 1 1 A 32 32 LEU N N 32 124.300 121.036 3.264 1
1 416 . 1 1 1 A 33 33 SER H H 33 8.420 8.441 -0.021 1
1 417 . 1 1 1 A 33 33 SER HA H 33 3.860 4.115 -0.255 1
1 420 . 1 1 1 A 33 33 SER C C 33 175.900 176.256 -0.356 1
1 421 . 1 1 1 A 33 33 SER CA C 33 63.100 62.500 0.600 1
1 422 . 1 1 1 A 33 33 SER CB C 33 62.900 62.979 -0.079 1
1 423 . 1 1 1 A 33 33 SER N N 33 116.000 116.808 -0.808 1
1 424 . 1 1 1 A 34 34 LEU H H 34 8.400 8.781 -0.381 1
1 425 . 1 1 1 A 34 34 LEU HA H 34 4.010 4.043 -0.033 1
1 435 . 1 1 1 A 34 34 LEU C C 34 179.500 179.137 0.363 1
1 436 . 1 1 1 A 34 34 LEU CA C 34 58.700 57.908 0.792 1
1 437 . 1 1 1 A 34 34 LEU CB C 34 41.500 41.370 0.130 1
1 441 . 1 1 1 A 34 34 LEU N N 34 120.400 120.810 -0.410 1
1 442 . 1 1 1 A 35 35 MET H H 35 7.970 8.221 -0.251 1
1 443 . 1 1 1 A 35 35 MET HA H 35 4.210 4.195 0.015 1
1 451 . 1 1 1 A 35 35 MET C C 35 178.900 177.838 1.062 1
1 452 . 1 1 1 A 35 35 MET CA C 35 59.100 58.531 0.569 1
1 453 . 1 1 1 A 35 35 MET CB C 35 33.100 32.444 0.656 1
1 456 . 1 1 1 A 35 35 MET N N 35 120.300 118.555 1.745 1
1 457 . 1 1 1 A 36 36 ALA H H 36 8.710 8.030 0.680 1
1 458 . 1 1 1 A 36 36 ALA HA H 36 3.900 4.035 -0.135 1
1 462 . 1 1 1 A 36 36 ALA C C 36 179.700 179.921 -0.221 1
1 463 . 1 1 1 A 36 36 ALA CA C 36 55.400 55.106 0.294 1
1 464 . 1 1 1 A 36 36 ALA CB C 36 18.600 18.415 0.185 1
1 465 . 1 1 1 A 36 36 ALA N N 36 121.700 121.561 0.139 1
1 466 . 1 1 1 A 37 37 LEU H H 37 8.750 8.741 0.009 1
1 467 . 1 1 1 A 37 37 LEU HA H 37 3.980 3.947 0.033 1
1 477 . 1 1 1 A 37 37 LEU C C 37 179.600 179.212 0.388 1
1 478 . 1 1 1 A 37 37 LEU CA C 37 59.000 57.828 1.172 1
1 479 . 1 1 1 A 37 37 LEU CB C 37 42.000 41.856 0.144 1
1 483 . 1 1 1 A 37 37 LEU N N 37 118.100 118.556 -0.456 1
1 484 . 1 1 1 A 38 38 GLY H H 38 8.780 8.672 0.108 1
1 485 . 1 1 1 A 38 38 GLY HA2 H 38 3.650 3.755 -0.105 1
1 486 . 1 1 1 A 38 38 GLY HA3 H 38 3.940 3.760 0.180 1
1 487 . 1 1 1 A 38 38 GLY C C 38 175.600 176.090 -0.490 1
1 488 . 1 1 1 A 38 38 GLY CA C 38 48.300 47.454 0.846 1
1 489 . 1 1 1 A 38 38 GLY N N 38 105.600 105.765 -0.165 1
1 490 . 1 1 1 A 39 39 ASN H H 39 8.180 7.799 0.381 1
1 491 . 1 1 1 A 39 39 ASN HA H 39 4.550 4.467 0.083 1
1 496 . 1 1 1 A 39 39 ASN C C 39 178.400 177.772 0.628 1
1 497 . 1 1 1 A 39 39 ASN CA C 39 56.000 55.932 0.068 1
1 498 . 1 1 1 A 39 39 ASN CB C 39 39.200 38.121 1.079 1
1 500 . 1 1 1 A 39 39 ASN N N 39 120.000 119.718 0.282 1
1 502 . 1 1 1 A 40 40 CYS H H 40 8.420 7.907 0.513 1
1 503 . 1 1 1 A 40 40 CYS HA H 40 4.010 4.169 -0.159 1
1 506 . 1 1 1 A 40 40 CYS C C 40 176.000 177.205 -1.205 1
1 507 . 1 1 1 A 40 40 CYS CA C 40 65.300 62.013 3.287 1
1 508 . 1 1 1 A 40 40 CYS CB C 40 27.200 27.027 0.173 1
1 509 . 1 1 1 A 40 40 CYS N N 40 120.200 119.196 1.004 1
1 510 . 1 1 1 A 41 41 VAL H H 41 7.830 8.214 -0.384 1
1 511 . 1 1 1 A 41 41 VAL HA H 41 3.250 3.430 -0.180 1
1 519 . 1 1 1 A 41 41 VAL C C 41 177.500 178.391 -0.891 1
1 520 . 1 1 1 A 41 41 VAL CA C 41 67.500 66.967 0.533 1
1 521 . 1 1 1 A 41 41 VAL CB C 41 30.800 31.483 -0.683 1
1 524 . 1 1 1 A 41 41 VAL N N 41 119.400 121.174 -1.774 1
1 525 . 1 1 1 A 42 42 THR H H 42 8.270 7.914 0.356 1
1 526 . 1 1 1 A 42 42 THR HA H 42 3.520 3.771 -0.251 1
1 531 . 1 1 1 A 42 42 THR C C 42 176.200 176.161 0.039 1
1 532 . 1 1 1 A 42 42 THR CA C 42 67.800 66.293 1.507 1
1 533 . 1 1 1 A 42 42 THR CB C 42 67.800 68.198 -0.398 1
1 535 . 1 1 1 A 42 42 THR N N 42 113.600 115.907 -2.307 1
1 536 . 1 1 1 A 43 43 HIS H H 43 8.250 8.100 0.150 1
1 537 . 1 1 1 A 43 43 HIS HA H 43 4.310 4.200 0.110 1
1 542 . 1 1 1 A 43 43 HIS C C 43 177.200 176.597 0.603 1
1 543 . 1 1 1 A 43 43 HIS CA C 43 59.300 60.096 -0.796 1
1 544 . 1 1 1 A 43 43 HIS CB C 43 28.900 29.414 -0.514 1
1 547 . 1 1 1 A 43 43 HIS N N 43 120.000 121.637 -1.637 1
1 550 . 1 1 1 A 44 44 LEU H H 44 8.070 7.864 0.206 1
1 551 . 1 1 1 A 44 44 LEU HA H 44 3.960 3.384 0.576 1
1 561 . 1 1 1 A 44 44 LEU C C 44 179.300 179.543 -0.243 1
1 562 . 1 1 1 A 44 44 LEU CA C 44 58.400 57.230 1.170 1
1 563 . 1 1 1 A 44 44 LEU CB C 44 42.200 41.100 1.100 1
1 567 . 1 1 1 A 44 44 LEU N N 44 119.400 118.817 0.583 1
1 568 . 1 1 1 A 45 45 LEU H H 45 8.410 7.849 0.561 1
1 569 . 1 1 1 A 45 45 LEU HA H 45 3.850 3.761 0.089 1
1 579 . 1 1 1 A 45 45 LEU C C 45 178.700 179.546 -0.846 1
1 580 . 1 1 1 A 45 45 LEU CA C 45 58.200 58.068 0.132 1
1 581 . 1 1 1 A 45 45 LEU CB C 45 41.800 41.257 0.543 1
1 585 . 1 1 1 A 45 45 LEU N N 45 118.100 120.106 -2.006 1
1 586 . 1 1 1 A 46 46 GLU H H 46 8.120 8.511 -0.391 1
1 587 . 1 1 1 A 46 46 GLU HA H 46 3.740 4.173 -0.433 1
1 592 . 1 1 1 A 46 46 GLU C C 46 178.000 178.134 -0.134 1
1 593 . 1 1 1 A 46 46 GLU CA C 46 58.900 58.864 0.036 1
1 594 . 1 1 1 A 46 46 GLU CB C 46 29.700 29.279 0.421 1
1 596 . 1 1 1 A 46 46 GLU N N 46 115.000 116.726 -1.726 1
1 597 . 1 1 1 A 47 47 ARG H H 47 7.740 7.983 -0.243 1
1 598 . 1 1 1 A 47 47 ARG HA H 47 4.270 4.174 0.096 1
1 606 . 1 1 1 A 47 47 ARG C C 47 178.500 177.930 0.570 1
1 607 . 1 1 1 A 47 47 ARG CA C 47 57.000 58.153 -1.153 1
1 608 . 1 1 1 A 47 47 ARG CB C 47 31.600 30.865 0.735 1
1 611 . 1 1 1 A 47 47 ARG N N 47 114.000 120.935 -6.935 1
1 613 . 1 1 1 A 48 48 LYS H H 48 8.210 7.976 0.234 1
1 614 . 1 1 1 A 48 48 LYS HA H 48 4.620 4.311 0.309 1
1 623 . 1 1 1 A 48 48 LYS C C 48 176.400 176.738 -0.338 1
1 624 . 1 1 1 A 48 48 LYS CA C 48 55.500 57.475 -1.975 1
1 625 . 1 1 1 A 48 48 LYS CB C 48 34.500 33.721 0.779 1
1 629 . 1 1 1 A 48 48 LYS N N 48 114.000 117.786 -3.786 1
1 630 . 1 1 1 A 49 49 VAL H H 49 7.630 7.170 0.460 1
1 631 . 1 1 1 A 49 49 VAL HA H 49 4.710 4.194 0.516 1
1 639 . 1 1 1 A 49 49 VAL CA C 49 59.400 59.523 -0.123 1
1 640 . 1 1 1 A 49 49 VAL CB C 49 33.600 32.069 1.531 1
1 643 . 1 1 1 A 49 49 VAL N N 49 121.800 119.522 2.278 1
1 644 . 1 1 1 A 50 50 PRO HA H 50 4.460 4.510 -0.050 1
1 651 . 1 1 1 A 50 50 PRO C C 50 177.900 177.546 0.354 1
1 652 . 1 1 1 A 50 50 PRO CA C 50 63.200 62.653 0.547 1
1 653 . 1 1 1 A 50 50 PRO CB C 50 32.900 32.773 0.127 1
1 656 . 1 1 1 A 51 51 SER H H 51 8.950 8.698 0.252 1
1 657 . 1 1 1 A 51 51 SER HA H 51 3.910 4.176 -0.266 1
1 660 . 1 1 1 A 51 51 SER C C 51 176.300 176.895 -0.595 1
1 661 . 1 1 1 A 51 51 SER CA C 51 62.800 61.626 1.174 1
1 662 . 1 1 1 A 51 51 SER CB C 51 62.700 63.005 -0.305 1
1 663 . 1 1 1 A 51 51 SER N N 51 119.000 118.766 0.234 1
1 664 . 1 1 1 A 52 52 GLU H H 52 9.480 8.437 1.043 1
1 665 . 1 1 1 A 52 52 GLU HA H 52 4.220 4.074 0.146 1
1 670 . 1 1 1 A 52 52 GLU C C 52 177.000 178.231 -1.231 1
1 671 . 1 1 1 A 52 52 GLU CA C 52 59.200 59.148 0.052 1
1 672 . 1 1 1 A 52 52 GLU CB C 52 28.700 28.899 -0.199 1
1 674 . 1 1 1 A 52 52 GLU N N 52 118.900 119.907 -1.007 1
1 675 . 1 1 1 A 53 53 SER H H 53 7.770 8.200 -0.430 1
1 676 . 1 1 1 A 53 53 SER HA H 53 4.940 4.328 0.612 1
1 679 . 1 1 1 A 53 53 SER C C 53 174.200 176.441 -2.241 1
1 680 . 1 1 1 A 53 53 SER CA C 53 58.200 61.129 -2.929 1
1 681 . 1 1 1 A 53 53 SER CB C 53 64.800 63.321 1.479 1
1 682 . 1 1 1 A 53 53 SER N N 53 112.500 118.091 -5.591 1
1 683 . 1 1 1 A 54 54 ARG H H 54 7.380 8.291 -0.911 1
1 684 . 1 1 1 A 54 54 ARG HA H 54 3.630 3.861 -0.231 1
1 696 . 1 1 1 A 54 54 ARG C C 54 177.200 178.565 -1.365 1
1 697 . 1 1 1 A 54 54 ARG CA C 54 61.400 59.591 1.809 1
1 698 . 1 1 1 A 54 54 ARG CB C 54 31.200 29.881 1.319 1
1 701 . 1 1 1 A 54 54 ARG N N 54 122.100 121.645 0.455 1
1 703 . 1 1 1 A 55 55 GLN H H 55 9.010 7.610 1.400 1
1 704 . 1 1 1 A 55 55 GLN HA H 55 3.840 4.029 -0.189 1
1 711 . 1 1 1 A 55 55 GLN C C 55 178.000 178.546 -0.546 1
1 712 . 1 1 1 A 55 55 GLN CA C 55 59.700 58.608 1.092 1
1 713 . 1 1 1 A 55 55 GLN CB C 55 28.100 28.444 -0.344 1
1 716 . 1 1 1 A 55 55 GLN N N 55 118.000 118.630 -0.630 1
1 718 . 1 1 1 A 56 56 ALA H H 56 8.280 8.102 0.178 1
1 719 . 1 1 1 A 56 56 ALA HA H 56 4.190 4.044 0.146 1
1 723 . 1 1 1 A 56 56 ALA C C 56 181.200 180.007 1.193 1
1 724 . 1 1 1 A 56 56 ALA CA C 56 55.200 55.244 -0.044 1
1 725 . 1 1 1 A 56 56 ALA CB C 56 17.900 18.310 -0.410 1
1 726 . 1 1 1 A 56 56 ALA N N 56 122.300 122.394 -0.094 1
1 727 . 1 1 1 A 57 57 VAL H H 57 8.150 8.480 -0.330 1
1 728 . 1 1 1 A 57 57 VAL HA H 57 3.740 3.526 0.214 1
1 736 . 1 1 1 A 57 57 VAL C C 57 178.900 178.215 0.685 1
1 737 . 1 1 1 A 57 57 VAL CA C 57 66.700 66.570 0.130 1
1 738 . 1 1 1 A 57 57 VAL CB C 57 31.700 31.561 0.139 1
1 741 . 1 1 1 A 57 57 VAL N N 57 119.600 118.434 1.166 1
1 742 . 1 1 1 A 58 58 ALA H H 58 8.370 7.897 0.473 1
1 743 . 1 1 1 A 58 58 ALA HA H 58 3.910 3.963 -0.053 1
1 747 . 1 1 1 A 58 58 ALA C C 58 179.500 179.935 -0.435 1
1 748 . 1 1 1 A 58 58 ALA CA C 58 55.800 55.736 0.064 1
1 749 . 1 1 1 A 58 58 ALA CB C 58 18.500 18.178 0.322 1
1 750 . 1 1 1 A 58 58 ALA N N 58 123.000 122.065 0.935 1
1 751 . 1 1 1 A 59 59 GLU H H 59 8.630 7.905 0.725 1
1 752 . 1 1 1 A 59 59 GLU HA H 59 4.100 4.134 -0.034 1
1 757 . 1 1 1 A 59 59 GLU C C 59 179.400 179.252 0.148 1
1 758 . 1 1 1 A 59 59 GLU CA C 59 59.600 59.523 0.077 1
1 759 . 1 1 1 A 59 59 GLU CB C 59 29.300 29.515 -0.215 1
1 761 . 1 1 1 A 59 59 GLU N N 59 118.400 117.966 0.434 1
1 762 . 1 1 1 A 60 60 GLN H H 60 8.280 8.301 -0.021 1
1 763 . 1 1 1 A 60 60 GLN HA H 60 4.090 4.108 -0.018 1
1 770 . 1 1 1 A 60 60 GLN C C 60 178.700 178.295 0.405 1
1 771 . 1 1 1 A 60 60 GLN CA C 60 59.100 58.587 0.513 1
1 772 . 1 1 1 A 60 60 GLN CB C 60 28.100 27.825 0.275 1
1 775 . 1 1 1 A 60 60 GLN N N 60 120.400 118.311 2.089 1
1 777 . 1 1 1 A 61 61 PHE H H 61 8.400 8.586 -0.186 1
1 778 . 1 1 1 A 61 61 PHE HA H 61 4.160 4.255 -0.095 1
1 786 . 1 1 1 A 61 61 PHE C C 61 177.600 178.292 -0.692 1
1 787 . 1 1 1 A 61 61 PHE CA C 61 61.400 61.871 -0.471 1
1 788 . 1 1 1 A 61 61 PHE CB C 61 39.100 39.213 -0.113 1
1 794 . 1 1 1 A 61 61 PHE N N 61 122.000 121.791 0.209 1
1 795 . 1 1 1 A 62 62 ALA H H 62 8.620 8.208 0.412 1
1 796 . 1 1 1 A 62 62 ALA HA H 62 3.980 4.016 -0.036 1
1 800 . 1 1 1 A 62 62 ALA C C 62 179.700 179.735 -0.035 1
1 801 . 1 1 1 A 62 62 ALA CA C 62 55.500 55.294 0.206 1
1 802 . 1 1 1 A 62 62 ALA CB C 62 18.900 18.279 0.621 1
1 803 . 1 1 1 A 62 62 ALA N N 62 122.000 121.472 0.528 1
1 804 . 1 1 1 A 63 63 LYS H H 63 8.470 8.132 0.338 1
1 805 . 1 1 1 A 63 63 LYS HA H 63 4.050 4.011 0.039 1
1 814 . 1 1 1 A 63 63 LYS C C 63 179.200 178.709 0.491 1
1 815 . 1 1 1 A 63 63 LYS CA C 63 59.600 59.859 -0.259 1
1 816 . 1 1 1 A 63 63 LYS CB C 63 32.600 32.173 0.427 1
1 820 . 1 1 1 A 63 63 LYS N N 63 119.500 116.398 3.102 1
1 821 . 1 1 1 A 64 64 ALA H H 64 8.000 8.074 -0.074 1
1 822 . 1 1 1 A 64 64 ALA HA H 64 4.100 4.052 0.048 1
1 826 . 1 1 1 A 64 64 ALA C C 64 180.700 180.145 0.555 1
1 827 . 1 1 1 A 64 64 ALA CA C 64 55.000 55.106 -0.106 1
1 828 . 1 1 1 A 64 64 ALA CB C 64 17.700 18.424 -0.724 1
1 829 . 1 1 1 A 64 64 ALA N N 64 122.000 121.989 0.011 1
1 830 . 1 1 1 A 65 65 LEU H H 65 7.830 7.874 -0.044 1
1 831 . 1 1 1 A 65 65 LEU HA H 65 3.950 3.726 0.224 1
1 841 . 1 1 1 A 65 65 LEU C C 65 178.900 178.612 0.288 1
1 842 . 1 1 1 A 65 65 LEU CA C 65 57.800 57.810 -0.010 1
1 843 . 1 1 1 A 65 65 LEU CB C 65 41.700 41.347 0.353 1
1 847 . 1 1 1 A 65 65 LEU N N 65 120.600 118.533 2.067 1
1 848 . 1 1 1 A 66 66 ALA H H 66 7.990 8.547 -0.557 1
1 849 . 1 1 1 A 66 66 ALA HA H 66 3.840 4.036 -0.196 1
1 853 . 1 1 1 A 66 66 ALA C C 66 180.300 179.287 1.013 1
1 854 . 1 1 1 A 66 66 ALA CA C 66 55.500 55.281 0.219 1
1 855 . 1 1 1 A 66 66 ALA CB C 66 17.900 18.375 -0.475 1
1 856 . 1 1 1 A 66 66 ALA N N 66 120.900 121.381 -0.481 1
1 857 . 1 1 1 A 67 67 GLN H H 67 8.140 7.963 0.177 1
1 858 . 1 1 1 A 67 67 GLN HA H 67 4.070 4.162 -0.092 1
1 865 . 1 1 1 A 67 67 GLN C C 67 178.400 178.733 -0.333 1
1 866 . 1 1 1 A 67 67 GLN CA C 67 58.300 57.923 0.377 1
1 867 . 1 1 1 A 67 67 GLN CB C 67 28.400 28.411 -0.011 1
1 870 . 1 1 1 A 67 67 GLN N N 67 116.600 117.782 -1.182 1
1 872 . 1 1 1 A 68 68 SER H H 68 8.120 7.896 0.224 1
1 873 . 1 1 1 A 68 68 SER HA H 68 4.220 4.188 0.032 1
1 876 . 1 1 1 A 68 68 SER C C 68 176.500 176.591 -0.091 1
1 877 . 1 1 1 A 68 68 SER CA C 68 61.500 62.732 -1.232 1
1 878 . 1 1 1 A 68 68 SER CB C 68 63.000 62.930 0.070 1
1 879 . 1 1 1 A 68 68 SER N N 68 116.700 118.754 -2.054 1
1 880 . 1 1 1 A 69 69 VAL H H 69 7.660 7.774 -0.114 1
1 881 . 1 1 1 A 69 69 VAL HA H 69 3.860 3.644 0.216 1
1 889 . 1 1 1 A 69 69 VAL C C 69 177.400 178.255 -0.855 1
1 890 . 1 1 1 A 69 69 VAL CA C 69 64.900 67.204 -2.304 1
1 891 . 1 1 1 A 69 69 VAL CB C 69 31.900 31.550 0.350 1
1 894 . 1 1 1 A 69 69 VAL N N 69 119.800 121.620 -1.820 1
1 895 . 1 1 1 A 70 70 LYS H H 70 7.860 7.882 -0.022 1
1 896 . 1 1 1 A 70 70 LYS HA H 70 4.040 4.133 -0.093 1
1 905 . 1 1 1 A 70 70 LYS C C 70 178.400 178.575 -0.175 1
1 906 . 1 1 1 A 70 70 LYS CA C 70 59.200 58.667 0.533 1
1 907 . 1 1 1 A 70 70 LYS CB C 70 32.800 32.240 0.560 1
1 911 . 1 1 1 A 70 70 LYS N N 70 121.300 121.113 0.187 1
1 912 . 1 1 1 A 71 71 SER H H 71 8.390 7.867 0.523 1
1 913 . 1 1 1 A 71 71 SER HA H 71 4.280 4.322 -0.042 1
1 916 . 1 1 1 A 71 71 SER C C 71 176.000 176.668 -0.668 1
1 917 . 1 1 1 A 71 71 SER CA C 71 60.700 61.137 -0.437 1
1 918 . 1 1 1 A 71 71 SER CB C 71 63.300 62.903 0.397 1
1 919 . 1 1 1 A 71 71 SER N N 71 114.400 115.037 -0.637 1
1 920 . 1 1 1 A 72 72 ASN H H 72 7.940 7.981 -0.041 1
1 921 . 1 1 1 A 72 72 ASN HA H 72 4.630 4.554 0.076 1
1 926 . 1 1 1 A 72 72 ASN C C 72 176.700 177.510 -0.810 1
1 927 . 1 1 1 A 72 72 ASN CA C 72 55.000 54.853 0.147 1
1 928 . 1 1 1 A 72 72 ASN CB C 72 39.000 37.245 1.755 1
1 930 . 1 1 1 A 72 72 ASN N N 72 119.700 117.493 2.207 1
1 932 . 1 1 1 A 73 73 LEU H H 73 7.900 7.250 0.650 1
1 933 . 1 1 1 A 73 73 LEU HA H 73 4.180 3.952 0.228 1
1 943 . 1 1 1 A 73 73 LEU C C 73 178.400 177.370 1.030 1
1 944 . 1 1 1 A 73 73 LEU CA C 73 56.700 58.069 -1.369 1
1 945 . 1 1 1 A 73 73 LEU CB C 73 42.300 41.721 0.579 1
1 949 . 1 1 1 A 73 73 LEU N N 73 121.000 120.660 0.340 1
1 950 . 1 1 1 A 74 74 GLU H H 74 8.060 8.165 -0.105 1
1 951 . 1 1 1 A 74 74 GLU HA H 74 4.120 4.190 -0.070 1
1 956 . 1 1 1 A 74 74 GLU C C 74 177.100 175.790 1.310 1
1 957 . 1 1 1 A 74 74 GLU CA C 74 57.400 58.264 -0.864 1
1 958 . 1 1 1 A 74 74 GLU CB C 74 29.900 29.699 0.201 1
1 960 . 1 1 1 A 74 74 GLU N N 74 119.300 119.121 0.179 1
1 961 . 1 1 1 A 75 75 HIS H H 75 8.140 8.878 -0.738 1
1 962 . 1 1 1 A 75 75 HIS HA H 75 4.590 4.341 0.249 1
1 966 . 1 1 1 A 75 75 HIS C C 75 174.900 175.359 -0.459 1
1 967 . 1 1 1 A 75 75 HIS CA C 75 56.100 56.711 -0.611 1
1 968 . 1 1 1 A 75 75 HIS CB C 75 29.000 27.399 1.601 1
1 970 . 1 1 1 A 75 75 HIS N N 75 117.500 117.130 0.370 1
1 971 . 1 1 1 A 76 76 HIS H H 76 8.240 8.542 -0.302 1
1 972 . 1 1 1 A 76 76 HIS C C 76 174.500 174.429 0.071 1
1 973 . 1 1 1 A 76 76 HIS CA C 76 55.900 57.248 -1.348 1
1 974 . 1 1 1 A 76 76 HIS CB C 76 29.300 28.960 0.340 1
1 975 . 1 1 1 A 76 76 HIS N N 76 118.300 118.304 -0.004 1
1 976 . 1 1 1 A 77 77 HIS H H 77 8.400 8.412 -0.012 1
1 977 . 1 1 1 A 77 77 HIS HA H 77 4.640 3.895 0.745 1
1 980 . 1 1 1 A 77 77 HIS C C 77 173.700 173.891 -0.191 1
1 981 . 1 1 1 A 77 77 HIS CA C 77 55.700 56.540 -0.840 1
1 982 . 1 1 1 A 77 77 HIS CB C 77 29.700 28.476 1.224 1
1 983 . 1 1 1 A 77 77 HIS N N 77 119.300 116.599 2.701 1
1 984 . 1 1 1 A 78 78 HIS H H 78 8.330 7.838 0.492 1
1 985 . 1 1 1 A 78 78 HIS CA C 78 57.200 56.960 0.240 1
1 986 . 1 1 1 A 78 78 HIS CB C 78 29.900 31.477 -1.577 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 4.140 4.495 -0.355 1
1 5 . 2 1 1 A 2 2 ALA C C 2 173.800 177.356 -3.556 1
1 6 . 2 1 1 A 2 2 ALA CA C 2 51.800 52.789 -0.989 1
1 7 . 2 1 1 A 2 2 ALA CB C 2 19.600 21.298 -1.698 1
1 8 . 2 1 1 A 3 3 ILE H H 3 8.540 7.416 1.124 1
1 9 . 2 1 1 A 3 3 ILE HA H 3 4.190 4.206 -0.016 1
1 19 . 2 1 1 A 3 3 ILE C C 3 176.000 175.684 0.316 1
1 20 . 2 1 1 A 3 3 ILE CA C 3 61.300 60.965 0.335 1
1 21 . 2 1 1 A 3 3 ILE CB C 3 38.800 38.768 0.032 1
1 25 . 2 1 1 A 3 3 ILE N N 3 120.500 116.569 3.931 1
1 26 . 2 1 1 A 4 4 GLN H H 4 8.570 8.518 0.052 1
1 27 . 2 1 1 A 4 4 GLN HA H 4 4.400 4.254 0.146 1
1 34 . 2 1 1 A 4 4 GLN C C 4 175.700 175.941 -0.241 1
1 35 . 2 1 1 A 4 4 GLN CA C 4 55.800 56.322 -0.522 1
1 36 . 2 1 1 A 4 4 GLN CB C 4 29.600 29.062 0.538 1
1 39 . 2 1 1 A 4 4 GLN N N 4 125.100 122.403 2.697 1
1 41 . 2 1 1 A 5 5 SER H H 5 8.440 8.684 -0.244 1
1 42 . 2 1 1 A 5 5 SER HA H 5 4.420 4.784 -0.364 1
1 45 . 2 1 1 A 5 5 SER C C 5 174.300 174.141 0.159 1
1 46 . 2 1 1 A 5 5 SER CA C 5 58.200 58.017 0.183 1
1 47 . 2 1 1 A 5 5 SER CB C 5 64.000 63.468 0.532 1
1 48 . 2 1 1 A 5 5 SER N N 5 118.100 118.799 -0.699 1
1 49 . 2 1 1 A 6 6 LYS H H 6 8.320 7.666 0.654 1
1 50 . 2 1 1 A 6 6 LYS HA H 6 4.110 4.063 0.047 1
1 59 . 2 1 1 A 6 6 LYS C C 6 176.000 175.590 0.410 1
1 60 . 2 1 1 A 6 6 LYS CA C 6 57.200 56.101 1.099 1
1 61 . 2 1 1 A 6 6 LYS CB C 6 33.100 33.075 0.025 1
1 65 . 2 1 1 A 6 6 LYS N N 6 123.600 123.224 0.376 1
1 66 . 2 1 1 A 7 7 TYR H H 7 8.000 8.334 -0.334 1
1 67 . 2 1 1 A 7 7 TYR HA H 7 4.800 4.516 0.284 1
1 74 . 2 1 1 A 7 7 TYR C C 7 175.800 173.331 2.469 1
1 75 . 2 1 1 A 7 7 TYR CA C 7 57.000 59.997 -2.997 1
1 76 . 2 1 1 A 7 7 TYR CB C 7 39.900 37.325 2.575 1
1 81 . 2 1 1 A 7 7 TYR N N 7 118.900 126.472 -7.572 1
1 82 . 2 1 1 A 8 8 SER H H 8 8.770 8.414 0.356 1
1 83 . 2 1 1 A 8 8 SER HA H 8 4.510 5.045 -0.535 1
1 86 . 2 1 1 A 8 8 SER C C 8 175.000 174.354 0.646 1
1 87 . 2 1 1 A 8 8 SER CA C 8 57.500 56.708 0.792 1
1 88 . 2 1 1 A 8 8 SER CB C 8 64.700 64.789 -0.089 1
1 89 . 2 1 1 A 8 8 SER N N 8 118.600 115.814 2.786 1
1 90 . 2 1 1 A 9 9 ASN H H 9 8.910 8.996 -0.086 1
1 91 . 2 1 1 A 9 9 ASN HA H 9 4.540 4.341 0.199 1
1 96 . 2 1 1 A 9 9 ASN C C 9 177.200 176.987 0.213 1
1 97 . 2 1 1 A 9 9 ASN CA C 9 55.900 56.781 -0.881 1
1 98 . 2 1 1 A 9 9 ASN CB C 9 38.200 38.413 -0.213 1
1 100 . 2 1 1 A 9 9 ASN N N 9 121.400 124.940 -3.540 1
1 102 . 2 1 1 A 10 10 THR H H 10 8.180 8.077 0.103 1
1 103 . 2 1 1 A 10 10 THR HA H 10 4.070 3.835 0.235 1
1 108 . 2 1 1 A 10 10 THR C C 10 176.600 176.137 0.463 1
1 109 . 2 1 1 A 10 10 THR CA C 10 65.300 67.434 -2.134 1
1 110 . 2 1 1 A 10 10 THR CB C 10 68.800 68.425 0.375 1
1 112 . 2 1 1 A 10 10 THR N N 10 113.500 116.123 -2.623 1
1 113 . 2 1 1 A 11 11 GLN H H 11 7.950 8.217 -0.267 1
1 114 . 2 1 1 A 11 11 GLN HA H 11 4.160 4.075 0.085 1
1 121 . 2 1 1 A 11 11 GLN C C 11 178.400 178.328 0.072 1
1 122 . 2 1 1 A 11 11 GLN CA C 11 59.000 58.997 0.003 1
1 123 . 2 1 1 A 11 11 GLN CB C 11 29.200 28.888 0.312 1
1 126 . 2 1 1 A 11 11 GLN N N 11 122.500 122.053 0.447 1
1 128 . 2 1 1 A 12 12 VAL H H 12 7.850 8.407 -0.557 1
1 129 . 2 1 1 A 12 12 VAL HA H 12 3.540 3.530 0.010 1
1 137 . 2 1 1 A 12 12 VAL C C 12 177.400 178.072 -0.672 1
1 138 . 2 1 1 A 12 12 VAL CA C 12 66.400 66.835 -0.435 1
1 139 . 2 1 1 A 12 12 VAL CB C 12 32.300 31.435 0.865 1
1 142 . 2 1 1 A 12 12 VAL N N 12 119.000 119.441 -0.441 1
1 143 . 2 1 1 A 13 13 GLU H H 13 8.550 8.405 0.145 1
1 144 . 2 1 1 A 13 13 GLU HA H 13 3.910 3.886 0.024 1
1 149 . 2 1 1 A 13 13 GLU C C 13 179.500 179.080 0.420 1
1 150 . 2 1 1 A 13 13 GLU CA C 13 59.700 60.231 -0.531 1
1 151 . 2 1 1 A 13 13 GLU CB C 13 29.100 29.730 -0.630 1
1 153 . 2 1 1 A 13 13 GLU N N 13 118.300 120.672 -2.372 1
1 154 . 2 1 1 A 14 14 SER H H 14 8.080 8.114 -0.034 1
1 155 . 2 1 1 A 14 14 SER HA H 14 4.260 4.110 0.150 1
1 158 . 2 1 1 A 14 14 SER C C 14 176.200 176.483 -0.283 1
1 159 . 2 1 1 A 14 14 SER CA C 14 61.700 62.218 -0.518 1
1 160 . 2 1 1 A 14 14 SER CB C 14 62.800 62.838 -0.038 1
1 161 . 2 1 1 A 14 14 SER N N 14 114.600 116.826 -2.226 1
1 162 . 2 1 1 A 15 15 LEU H H 15 7.110 8.168 -1.058 1
1 163 . 2 1 1 A 15 15 LEU HA H 15 3.690 3.942 -0.252 1
1 173 . 2 1 1 A 15 15 LEU C C 15 177.800 179.130 -1.330 1
1 174 . 2 1 1 A 15 15 LEU CA C 15 57.700 58.231 -0.531 1
1 175 . 2 1 1 A 15 15 LEU CB C 15 42.300 42.250 0.050 1
1 179 . 2 1 1 A 15 15 LEU N N 15 122.200 121.058 1.142 1
1 180 . 2 1 1 A 16 16 ILE H H 16 8.030 8.438 -0.408 1
1 181 . 2 1 1 A 16 16 ILE HA H 16 3.220 3.623 -0.403 1
1 191 . 2 1 1 A 16 16 ILE C C 16 177.200 178.048 -0.848 1
1 192 . 2 1 1 A 16 16 ILE CA C 16 66.000 65.680 0.320 1
1 193 . 2 1 1 A 16 16 ILE CB C 16 39.100 37.706 1.394 1
1 197 . 2 1 1 A 16 16 ILE N N 16 117.900 118.784 -0.884 1
1 198 . 2 1 1 A 17 17 ALA H H 17 7.960 8.575 -0.615 1
1 199 . 2 1 1 A 17 17 ALA HA H 17 3.930 3.996 -0.066 1
1 203 . 2 1 1 A 17 17 ALA C C 17 180.600 179.121 1.479 1
1 204 . 2 1 1 A 17 17 ALA CA C 17 55.400 55.881 -0.481 1
1 205 . 2 1 1 A 17 17 ALA CB C 17 18.000 18.258 -0.258 1
1 206 . 2 1 1 A 17 17 ALA N N 17 118.300 122.362 -4.062 1
1 207 . 2 1 1 A 18 18 GLU H H 18 7.630 8.005 -0.375 1
1 208 . 2 1 1 A 18 18 GLU HA H 18 4.030 4.104 -0.074 1
1 213 . 2 1 1 A 18 18 GLU C C 18 179.400 179.154 0.246 1
1 214 . 2 1 1 A 18 18 GLU CA C 18 59.800 58.792 1.008 1
1 215 . 2 1 1 A 18 18 GLU CB C 18 30.300 29.453 0.847 1
1 217 . 2 1 1 A 18 18 GLU N N 18 116.300 118.143 -1.843 1
1 218 . 2 1 1 A 19 19 ILE H H 19 8.110 8.103 0.007 1
1 219 . 2 1 1 A 19 19 ILE HA H 19 3.590 3.614 -0.024 1
1 229 . 2 1 1 A 19 19 ILE C C 19 177.800 178.536 -0.736 1
1 230 . 2 1 1 A 19 19 ILE CA C 19 66.500 65.883 0.617 1
1 231 . 2 1 1 A 19 19 ILE CB C 19 37.500 38.010 -0.510 1
1 235 . 2 1 1 A 19 19 ILE N N 19 121.100 120.649 0.451 1
1 236 . 2 1 1 A 20 20 LEU H H 20 8.480 7.975 0.505 1
1 237 . 2 1 1 A 20 20 LEU HA H 20 4.020 4.135 -0.115 1
1 247 . 2 1 1 A 20 20 LEU C C 20 180.500 179.135 1.365 1
1 248 . 2 1 1 A 20 20 LEU CA C 20 58.600 57.863 0.737 1
1 249 . 2 1 1 A 20 20 LEU CB C 20 40.400 41.520 -1.120 1
1 253 . 2 1 1 A 20 20 LEU N N 20 118.300 118.373 -0.073 1
1 254 . 2 1 1 A 21 21 VAL H H 21 7.810 8.440 -0.630 1
1 255 . 2 1 1 A 21 21 VAL HA H 21 3.770 3.632 0.138 1
1 263 . 2 1 1 A 21 21 VAL C C 21 178.200 178.470 -0.270 1
1 264 . 2 1 1 A 21 21 VAL CA C 21 66.800 66.651 0.149 1
1 265 . 2 1 1 A 21 21 VAL CB C 21 31.600 31.538 0.062 1
1 268 . 2 1 1 A 21 21 VAL N N 21 119.700 119.504 0.196 1
1 269 . 2 1 1 A 22 22 VAL H H 22 7.530 8.195 -0.665 1
1 270 . 2 1 1 A 22 22 VAL HA H 22 3.610 3.594 0.016 1
1 278 . 2 1 1 A 22 22 VAL C C 22 178.500 178.042 0.458 1
1 279 . 2 1 1 A 22 22 VAL CA C 22 67.300 67.080 0.220 1
1 280 . 2 1 1 A 22 22 VAL CB C 22 31.500 31.506 -0.006 1
1 283 . 2 1 1 A 22 22 VAL N N 22 121.400 120.514 0.886 1
1 284 . 2 1 1 A 23 23 LEU H H 23 7.610 7.928 -0.318 1
1 285 . 2 1 1 A 23 23 LEU HA H 23 3.880 3.923 -0.043 1
1 295 . 2 1 1 A 23 23 LEU C C 23 179.700 179.371 0.329 1
1 296 . 2 1 1 A 23 23 LEU CA C 23 58.400 58.354 0.046 1
1 297 . 2 1 1 A 23 23 LEU CB C 23 40.900 41.569 -0.669 1
1 301 . 2 1 1 A 23 23 LEU N N 23 116.800 118.772 -1.972 1
1 302 . 2 1 1 A 24 24 GLU H H 24 8.160 8.325 -0.165 1
1 303 . 2 1 1 A 24 24 GLU HA H 24 4.170 4.108 0.062 1
1 308 . 2 1 1 A 24 24 GLU C C 24 180.900 179.646 1.254 1
1 309 . 2 1 1 A 24 24 GLU CA C 24 59.000 59.302 -0.302 1
1 310 . 2 1 1 A 24 24 GLU CB C 24 29.700 29.022 0.678 1
1 312 . 2 1 1 A 24 24 GLU N N 24 119.200 116.974 2.226 1
1 313 . 2 1 1 A 25 25 LYS H H 25 8.980 8.087 0.893 1
1 314 . 2 1 1 A 25 25 LYS HA H 25 4.050 4.005 0.045 1
1 323 . 2 1 1 A 25 25 LYS C C 25 178.600 178.418 0.182 1
1 324 . 2 1 1 A 25 25 LYS CA C 25 59.300 58.820 0.480 1
1 325 . 2 1 1 A 25 25 LYS CB C 25 32.100 32.056 0.044 1
1 329 . 2 1 1 A 25 25 LYS N N 25 122.900 121.068 1.832 1
1 330 . 2 1 1 A 26 26 HIS H H 26 7.400 7.444 -0.044 1
1 331 . 2 1 1 A 26 26 HIS HA H 26 4.460 4.602 -0.142 1
1 336 . 2 1 1 A 26 26 HIS C C 26 173.600 174.164 -0.564 1
1 337 . 2 1 1 A 26 26 HIS CA C 26 56.500 55.699 0.801 1
1 338 . 2 1 1 A 26 26 HIS CB C 26 29.200 29.901 -0.701 1
1 341 . 2 1 1 A 26 26 HIS N N 26 113.800 114.462 -0.662 1
1 342 . 2 1 1 A 27 27 LYS H H 27 8.200 7.919 0.281 1
1 343 . 2 1 1 A 27 27 LYS HA H 27 3.950 3.738 0.212 1
1 352 . 2 1 1 A 27 27 LYS C C 27 176.500 175.517 0.983 1
1 353 . 2 1 1 A 27 27 LYS CA C 27 56.600 57.221 -0.621 1
1 354 . 2 1 1 A 27 27 LYS CB C 27 29.600 29.677 -0.077 1
1 358 . 2 1 1 A 27 27 LYS N N 27 119.500 115.960 3.540 1
1 359 . 2 1 1 A 28 28 ALA H H 28 7.760 7.814 -0.054 1
1 360 . 2 1 1 A 28 28 ALA HA H 28 4.490 4.457 0.033 1
1 364 . 2 1 1 A 28 28 ALA CA C 28 51.000 50.556 0.444 1
1 365 . 2 1 1 A 28 28 ALA CB C 28 19.200 18.753 0.447 1
1 366 . 2 1 1 A 28 28 ALA N N 28 121.500 121.094 0.406 1
1 367 . 2 1 1 A 29 29 PRO HA H 29 4.720 4.501 0.219 1
1 374 . 2 1 1 A 29 29 PRO C C 29 177.400 177.514 -0.114 1
1 375 . 2 1 1 A 29 29 PRO CA C 29 62.100 62.718 -0.618 1
1 376 . 2 1 1 A 29 29 PRO CB C 29 33.000 32.664 0.336 1
1 379 . 2 1 1 A 30 30 THR H H 30 8.830 8.412 0.418 1
1 380 . 2 1 1 A 30 30 THR HA H 30 3.680 4.318 -0.638 1
1 385 . 2 1 1 A 30 30 THR C C 30 175.200 175.897 -0.697 1
1 386 . 2 1 1 A 30 30 THR CA C 30 67.400 65.594 1.806 1
1 387 . 2 1 1 A 30 30 THR CB C 30 68.500 68.445 0.055 1
1 389 . 2 1 1 A 30 30 THR N N 30 120.400 117.643 2.757 1
1 390 . 2 1 1 A 31 31 ASP H H 31 8.880 8.330 0.550 1
1 391 . 2 1 1 A 31 31 ASP HA H 31 4.220 4.258 -0.038 1
1 394 . 2 1 1 A 31 31 ASP C C 31 179.000 178.594 0.406 1
1 395 . 2 1 1 A 31 31 ASP CA C 31 57.400 57.682 -0.282 1
1 396 . 2 1 1 A 31 31 ASP CB C 31 38.700 41.615 -2.915 1
1 397 . 2 1 1 A 31 31 ASP N N 31 118.600 121.188 -2.588 1
1 398 . 2 1 1 A 32 32 LEU H H 32 7.540 7.803 -0.263 1
1 399 . 2 1 1 A 32 32 LEU HA H 32 3.970 4.112 -0.142 1
1 409 . 2 1 1 A 32 32 LEU C C 32 178.100 178.335 -0.235 1
1 410 . 2 1 1 A 32 32 LEU CA C 32 57.500 57.529 -0.029 1
1 411 . 2 1 1 A 32 32 LEU CB C 32 40.600 41.727 -1.127 1
1 415 . 2 1 1 A 32 32 LEU N N 32 124.300 120.917 3.383 1
1 416 . 2 1 1 A 33 33 SER H H 33 8.420 8.739 -0.319 1
1 417 . 2 1 1 A 33 33 SER HA H 33 3.860 4.186 -0.326 1
1 420 . 2 1 1 A 33 33 SER C C 33 175.900 177.919 -2.019 1
1 421 . 2 1 1 A 33 33 SER CA C 33 63.100 61.854 1.246 1
1 422 . 2 1 1 A 33 33 SER CB C 33 62.900 62.353 0.547 1
1 423 . 2 1 1 A 33 33 SER N N 33 116.000 115.539 0.461 1
1 424 . 2 1 1 A 34 34 LEU H H 34 8.400 8.419 -0.019 1
1 425 . 2 1 1 A 34 34 LEU HA H 34 4.010 4.046 -0.036 1
1 435 . 2 1 1 A 34 34 LEU C C 34 179.500 179.527 -0.027 1
1 436 . 2 1 1 A 34 34 LEU CA C 34 58.700 57.834 0.866 1
1 437 . 2 1 1 A 34 34 LEU CB C 34 41.500 41.202 0.298 1
1 441 . 2 1 1 A 34 34 LEU N N 34 120.400 123.247 -2.847 1
1 442 . 2 1 1 A 35 35 MET H H 35 7.970 8.084 -0.114 1
1 443 . 2 1 1 A 35 35 MET HA H 35 4.210 4.173 0.037 1
1 451 . 2 1 1 A 35 35 MET C C 35 178.900 178.493 0.407 1
1 452 . 2 1 1 A 35 35 MET CA C 35 59.100 58.532 0.568 1
1 453 . 2 1 1 A 35 35 MET CB C 35 33.100 32.644 0.456 1
1 456 . 2 1 1 A 35 35 MET N N 35 120.300 117.901 2.399 1
1 457 . 2 1 1 A 36 36 ALA H H 36 8.710 8.245 0.465 1
1 458 . 2 1 1 A 36 36 ALA HA H 36 3.900 4.059 -0.159 1
1 462 . 2 1 1 A 36 36 ALA C C 36 179.700 180.063 -0.363 1
1 463 . 2 1 1 A 36 36 ALA CA C 36 55.400 55.216 0.184 1
1 464 . 2 1 1 A 36 36 ALA CB C 36 18.600 18.075 0.525 1
1 465 . 2 1 1 A 36 36 ALA N N 36 121.700 121.738 -0.038 1
1 466 . 2 1 1 A 37 37 LEU H H 37 8.750 8.650 0.100 1
1 467 . 2 1 1 A 37 37 LEU HA H 37 3.980 3.970 0.010 1
1 477 . 2 1 1 A 37 37 LEU C C 37 179.600 179.114 0.486 1
1 478 . 2 1 1 A 37 37 LEU CA C 37 59.000 58.014 0.986 1
1 479 . 2 1 1 A 37 37 LEU CB C 37 42.000 41.842 0.158 1
1 483 . 2 1 1 A 37 37 LEU N N 37 118.100 118.500 -0.400 1
1 484 . 2 1 1 A 38 38 GLY H H 38 8.780 8.781 -0.001 1
1 485 . 2 1 1 A 38 38 GLY HA2 H 38 3.650 3.735 -0.085 1
1 486 . 2 1 1 A 38 38 GLY HA3 H 38 3.940 3.754 0.186 1
1 487 . 2 1 1 A 38 38 GLY C C 38 175.600 175.750 -0.150 1
1 488 . 2 1 1 A 38 38 GLY CA C 38 48.300 47.903 0.397 1
1 489 . 2 1 1 A 38 38 GLY N N 38 105.600 105.956 -0.356 1
1 490 . 2 1 1 A 39 39 ASN H H 39 8.180 8.243 -0.063 1
1 491 . 2 1 1 A 39 39 ASN HA H 39 4.550 4.490 0.060 1
1 496 . 2 1 1 A 39 39 ASN C C 39 178.400 178.051 0.349 1
1 497 . 2 1 1 A 39 39 ASN CA C 39 56.000 56.152 -0.152 1
1 498 . 2 1 1 A 39 39 ASN CB C 39 39.200 38.041 1.159 1
1 500 . 2 1 1 A 39 39 ASN N N 39 120.000 119.564 0.436 1
1 502 . 2 1 1 A 40 40 CYS H H 40 8.420 8.252 0.168 1
1 503 . 2 1 1 A 40 40 CYS HA H 40 4.010 4.106 -0.096 1
1 506 . 2 1 1 A 40 40 CYS C C 40 176.000 176.981 -0.981 1
1 507 . 2 1 1 A 40 40 CYS CA C 40 65.300 62.651 2.649 1
1 508 . 2 1 1 A 40 40 CYS CB C 40 27.200 26.449 0.751 1
1 509 . 2 1 1 A 40 40 CYS N N 40 120.200 119.491 0.709 1
1 510 . 2 1 1 A 41 41 VAL H H 41 7.830 8.269 -0.439 1
1 511 . 2 1 1 A 41 41 VAL HA H 41 3.250 3.401 -0.151 1
1 519 . 2 1 1 A 41 41 VAL C C 41 177.500 177.852 -0.352 1
1 520 . 2 1 1 A 41 41 VAL CA C 41 67.500 66.779 0.721 1
1 521 . 2 1 1 A 41 41 VAL CB C 41 30.800 31.554 -0.754 1
1 524 . 2 1 1 A 41 41 VAL N N 41 119.400 120.071 -0.671 1
1 525 . 2 1 1 A 42 42 THR H H 42 8.270 7.934 0.336 1
1 526 . 2 1 1 A 42 42 THR HA H 42 3.520 3.900 -0.380 1
1 531 . 2 1 1 A 42 42 THR C C 42 176.200 176.309 -0.109 1
1 532 . 2 1 1 A 42 42 THR CA C 42 67.800 66.328 1.472 1
1 533 . 2 1 1 A 42 42 THR CB C 42 67.800 68.546 -0.746 1
1 535 . 2 1 1 A 42 42 THR N N 42 113.600 116.114 -2.514 1
1 536 . 2 1 1 A 43 43 HIS H H 43 8.250 8.052 0.198 1
1 537 . 2 1 1 A 43 43 HIS HA H 43 4.310 4.360 -0.050 1
1 542 . 2 1 1 A 43 43 HIS C C 43 177.200 177.318 -0.118 1
1 543 . 2 1 1 A 43 43 HIS CA C 43 59.300 59.995 -0.695 1
1 544 . 2 1 1 A 43 43 HIS CB C 43 28.900 30.040 -1.140 1
1 547 . 2 1 1 A 43 43 HIS N N 43 120.000 121.965 -1.965 1
1 550 . 2 1 1 A 44 44 LEU H H 44 8.070 8.384 -0.314 1
1 551 . 2 1 1 A 44 44 LEU HA H 44 3.960 3.572 0.388 1
1 561 . 2 1 1 A 44 44 LEU C C 44 179.300 179.239 0.061 1
1 562 . 2 1 1 A 44 44 LEU CA C 44 58.400 57.736 0.664 1
1 563 . 2 1 1 A 44 44 LEU CB C 44 42.200 41.323 0.877 1
1 567 . 2 1 1 A 44 44 LEU N N 44 119.400 119.657 -0.257 1
1 568 . 2 1 1 A 45 45 LEU H H 45 8.410 8.013 0.397 1
1 569 . 2 1 1 A 45 45 LEU HA H 45 3.850 3.743 0.107 1
1 579 . 2 1 1 A 45 45 LEU C C 45 178.700 179.182 -0.482 1
1 580 . 2 1 1 A 45 45 LEU CA C 45 58.200 58.074 0.126 1
1 581 . 2 1 1 A 45 45 LEU CB C 45 41.800 41.724 0.076 1
1 585 . 2 1 1 A 45 45 LEU N N 45 118.100 119.677 -1.577 1
1 586 . 2 1 1 A 46 46 GLU H H 46 8.120 8.489 -0.369 1
1 587 . 2 1 1 A 46 46 GLU HA H 46 3.740 4.158 -0.418 1
1 592 . 2 1 1 A 46 46 GLU C C 46 178.000 178.738 -0.738 1
1 593 . 2 1 1 A 46 46 GLU CA C 46 58.900 58.100 0.800 1
1 594 . 2 1 1 A 46 46 GLU CB C 46 29.700 28.663 1.037 1
1 596 . 2 1 1 A 46 46 GLU N N 46 115.000 117.707 -2.707 1
1 597 . 2 1 1 A 47 47 ARG H H 47 7.740 7.743 -0.003 1
1 598 . 2 1 1 A 47 47 ARG HA H 47 4.270 4.121 0.149 1
1 606 . 2 1 1 A 47 47 ARG C C 47 178.500 178.019 0.481 1
1 607 . 2 1 1 A 47 47 ARG CA C 47 57.000 58.363 -1.363 1
1 608 . 2 1 1 A 47 47 ARG CB C 47 31.600 30.519 1.081 1
1 611 . 2 1 1 A 47 47 ARG N N 47 114.000 120.428 -6.428 1
1 613 . 2 1 1 A 48 48 LYS H H 48 8.210 7.895 0.315 1
1 614 . 2 1 1 A 48 48 LYS HA H 48 4.620 4.176 0.444 1
1 623 . 2 1 1 A 48 48 LYS C C 48 176.400 176.426 -0.026 1
1 624 . 2 1 1 A 48 48 LYS CA C 48 55.500 57.998 -2.498 1
1 625 . 2 1 1 A 48 48 LYS CB C 48 34.500 33.281 1.219 1
1 629 . 2 1 1 A 48 48 LYS N N 48 114.000 118.605 -4.605 1
1 630 . 2 1 1 A 49 49 VAL H H 49 7.630 7.621 0.009 1
1 631 . 2 1 1 A 49 49 VAL HA H 49 4.710 4.240 0.470 1
1 639 . 2 1 1 A 49 49 VAL CA C 49 59.400 58.853 0.547 1
1 640 . 2 1 1 A 49 49 VAL CB C 49 33.600 32.383 1.217 1
1 643 . 2 1 1 A 49 49 VAL N N 49 121.800 120.290 1.510 1
1 644 . 2 1 1 A 50 50 PRO HA H 50 4.460 4.529 -0.069 1
1 651 . 2 1 1 A 50 50 PRO C C 50 177.900 177.692 0.208 1
1 652 . 2 1 1 A 50 50 PRO CA C 50 63.200 62.691 0.509 1
1 653 . 2 1 1 A 50 50 PRO CB C 50 32.900 32.718 0.182 1
1 656 . 2 1 1 A 51 51 SER H H 51 8.950 8.727 0.223 1
1 657 . 2 1 1 A 51 51 SER HA H 51 3.910 4.153 -0.243 1
1 660 . 2 1 1 A 51 51 SER C C 51 176.300 176.839 -0.539 1
1 661 . 2 1 1 A 51 51 SER CA C 51 62.800 61.637 1.163 1
1 662 . 2 1 1 A 51 51 SER CB C 51 62.700 63.088 -0.388 1
1 663 . 2 1 1 A 51 51 SER N N 51 119.000 118.826 0.174 1
1 664 . 2 1 1 A 52 52 GLU H H 52 9.480 8.025 1.455 1
1 665 . 2 1 1 A 52 52 GLU HA H 52 4.220 4.041 0.179 1
1 670 . 2 1 1 A 52 52 GLU C C 52 177.000 179.430 -2.430 1
1 671 . 2 1 1 A 52 52 GLU CA C 52 59.200 59.278 -0.078 1
1 672 . 2 1 1 A 52 52 GLU CB C 52 28.700 29.415 -0.715 1
1 674 . 2 1 1 A 52 52 GLU N N 52 118.900 122.075 -3.175 1
1 675 . 2 1 1 A 53 53 SER H H 53 7.770 8.224 -0.454 1
1 676 . 2 1 1 A 53 53 SER HA H 53 4.940 4.245 0.695 1
1 679 . 2 1 1 A 53 53 SER C C 53 174.200 176.597 -2.397 1
1 680 . 2 1 1 A 53 53 SER CA C 53 58.200 60.957 -2.757 1
1 681 . 2 1 1 A 53 53 SER CB C 53 64.800 63.095 1.705 1
1 682 . 2 1 1 A 53 53 SER N N 53 112.500 118.446 -5.946 1
1 683 . 2 1 1 A 54 54 ARG H H 54 7.380 8.241 -0.861 1
1 684 . 2 1 1 A 54 54 ARG HA H 54 3.630 3.920 -0.290 1
1 696 . 2 1 1 A 54 54 ARG C C 54 177.200 178.621 -1.421 1
1 697 . 2 1 1 A 54 54 ARG CA C 54 61.400 59.870 1.530 1
1 698 . 2 1 1 A 54 54 ARG CB C 54 31.200 29.722 1.478 1
1 701 . 2 1 1 A 54 54 ARG N N 54 122.100 122.533 -0.433 1
1 703 . 2 1 1 A 55 55 GLN H H 55 9.010 7.572 1.438 1
1 704 . 2 1 1 A 55 55 GLN HA H 55 3.840 4.050 -0.210 1
1 711 . 2 1 1 A 55 55 GLN C C 55 178.000 178.537 -0.537 1
1 712 . 2 1 1 A 55 55 GLN CA C 55 59.700 58.601 1.099 1
1 713 . 2 1 1 A 55 55 GLN CB C 55 28.100 28.375 -0.275 1
1 716 . 2 1 1 A 55 55 GLN N N 55 118.000 118.222 -0.222 1
1 718 . 2 1 1 A 56 56 ALA H H 56 8.280 7.599 0.681 1
1 719 . 2 1 1 A 56 56 ALA HA H 56 4.190 4.074 0.116 1
1 723 . 2 1 1 A 56 56 ALA C C 56 181.200 179.878 1.322 1
1 724 . 2 1 1 A 56 56 ALA CA C 56 55.200 55.110 0.090 1
1 725 . 2 1 1 A 56 56 ALA CB C 56 17.900 18.655 -0.755 1
1 726 . 2 1 1 A 56 56 ALA N N 56 122.300 122.609 -0.309 1
1 727 . 2 1 1 A 57 57 VAL H H 57 8.150 8.498 -0.348 1
1 728 . 2 1 1 A 57 57 VAL HA H 57 3.740 3.516 0.224 1
1 736 . 2 1 1 A 57 57 VAL C C 57 178.900 178.293 0.607 1
1 737 . 2 1 1 A 57 57 VAL CA C 57 66.700 66.471 0.229 1
1 738 . 2 1 1 A 57 57 VAL CB C 57 31.700 31.606 0.094 1
1 741 . 2 1 1 A 57 57 VAL N N 57 119.600 118.167 1.433 1
1 742 . 2 1 1 A 58 58 ALA H H 58 8.370 8.015 0.355 1
1 743 . 2 1 1 A 58 58 ALA HA H 58 3.910 4.014 -0.104 1
1 747 . 2 1 1 A 58 58 ALA C C 58 179.500 180.009 -0.509 1
1 748 . 2 1 1 A 58 58 ALA CA C 58 55.800 56.043 -0.243 1
1 749 . 2 1 1 A 58 58 ALA CB C 58 18.500 18.769 -0.269 1
1 750 . 2 1 1 A 58 58 ALA N N 58 123.000 122.020 0.980 1
1 751 . 2 1 1 A 59 59 GLU H H 59 8.630 8.518 0.112 1
1 752 . 2 1 1 A 59 59 GLU HA H 59 4.100 3.944 0.156 1
1 757 . 2 1 1 A 59 59 GLU C C 59 179.400 179.241 0.159 1
1 758 . 2 1 1 A 59 59 GLU CA C 59 59.600 59.773 -0.173 1
1 759 . 2 1 1 A 59 59 GLU CB C 59 29.300 29.432 -0.132 1
1 761 . 2 1 1 A 59 59 GLU N N 59 118.400 117.608 0.792 1
1 762 . 2 1 1 A 60 60 GLN H H 60 8.280 8.328 -0.048 1
1 763 . 2 1 1 A 60 60 GLN HA H 60 4.090 4.055 0.035 1
1 770 . 2 1 1 A 60 60 GLN C C 60 178.700 178.531 0.169 1
1 771 . 2 1 1 A 60 60 GLN CA C 60 59.100 58.997 0.103 1
1 772 . 2 1 1 A 60 60 GLN CB C 60 28.100 28.294 -0.194 1
1 775 . 2 1 1 A 60 60 GLN N N 60 120.400 118.722 1.678 1
1 777 . 2 1 1 A 61 61 PHE H H 61 8.400 8.842 -0.442 1
1 778 . 2 1 1 A 61 61 PHE HA H 61 4.160 4.323 -0.163 1
1 786 . 2 1 1 A 61 61 PHE C C 61 177.600 177.701 -0.101 1
1 787 . 2 1 1 A 61 61 PHE CA C 61 61.400 61.644 -0.244 1
1 788 . 2 1 1 A 61 61 PHE CB C 61 39.100 39.239 -0.139 1
1 794 . 2 1 1 A 61 61 PHE N N 61 122.000 120.696 1.304 1
1 795 . 2 1 1 A 62 62 ALA H H 62 8.620 8.585 0.035 1
1 796 . 2 1 1 A 62 62 ALA HA H 62 3.980 3.902 0.078 1
1 800 . 2 1 1 A 62 62 ALA C C 62 179.700 179.614 0.086 1
1 801 . 2 1 1 A 62 62 ALA CA C 62 55.500 55.318 0.182 1
1 802 . 2 1 1 A 62 62 ALA CB C 62 18.900 18.352 0.548 1
1 803 . 2 1 1 A 62 62 ALA N N 62 122.000 121.404 0.596 1
1 804 . 2 1 1 A 63 63 LYS H H 63 8.470 8.440 0.030 1
1 805 . 2 1 1 A 63 63 LYS HA H 63 4.050 3.956 0.094 1
1 814 . 2 1 1 A 63 63 LYS C C 63 179.200 179.343 -0.143 1
1 815 . 2 1 1 A 63 63 LYS CA C 63 59.600 59.026 0.574 1
1 816 . 2 1 1 A 63 63 LYS CB C 63 32.600 31.866 0.734 1
1 820 . 2 1 1 A 63 63 LYS N N 63 119.500 116.600 2.900 1
1 821 . 2 1 1 A 64 64 ALA H H 64 8.000 8.215 -0.215 1
1 822 . 2 1 1 A 64 64 ALA HA H 64 4.100 4.015 0.085 1
1 826 . 2 1 1 A 64 64 ALA C C 64 180.700 180.178 0.522 1
1 827 . 2 1 1 A 64 64 ALA CA C 64 55.000 54.949 0.051 1
1 828 . 2 1 1 A 64 64 ALA CB C 64 17.700 17.930 -0.230 1
1 829 . 2 1 1 A 64 64 ALA N N 64 122.000 122.224 -0.224 1
1 830 . 2 1 1 A 65 65 LEU H H 65 7.830 8.219 -0.389 1
1 831 . 2 1 1 A 65 65 LEU HA H 65 3.950 3.863 0.087 1
1 841 . 2 1 1 A 65 65 LEU C C 65 178.900 178.190 0.710 1
1 842 . 2 1 1 A 65 65 LEU CA C 65 57.800 57.532 0.268 1
1 843 . 2 1 1 A 65 65 LEU CB C 65 41.700 41.495 0.205 1
1 847 . 2 1 1 A 65 65 LEU N N 65 120.600 120.227 0.373 1
1 848 . 2 1 1 A 66 66 ALA H H 66 7.990 8.423 -0.433 1
1 849 . 2 1 1 A 66 66 ALA HA H 66 3.840 3.904 -0.064 1
1 853 . 2 1 1 A 66 66 ALA C C 66 180.300 179.278 1.022 1
1 854 . 2 1 1 A 66 66 ALA CA C 66 55.500 55.083 0.417 1
1 855 . 2 1 1 A 66 66 ALA CB C 66 17.900 18.014 -0.114 1
1 856 . 2 1 1 A 66 66 ALA N N 66 120.900 120.895 0.005 1
1 857 . 2 1 1 A 67 67 GLN H H 67 8.140 8.332 -0.192 1
1 858 . 2 1 1 A 67 67 GLN HA H 67 4.070 3.944 0.126 1
1 865 . 2 1 1 A 67 67 GLN C C 67 178.400 178.074 0.326 1
1 866 . 2 1 1 A 67 67 GLN CA C 67 58.300 59.145 -0.845 1
1 867 . 2 1 1 A 67 67 GLN CB C 67 28.400 28.398 0.002 1
1 870 . 2 1 1 A 67 67 GLN N N 67 116.600 118.680 -2.080 1
1 872 . 2 1 1 A 68 68 SER H H 68 8.120 7.999 0.121 1
1 873 . 2 1 1 A 68 68 SER HA H 68 4.220 4.207 0.013 1
1 876 . 2 1 1 A 68 68 SER C C 68 176.500 176.762 -0.262 1
1 877 . 2 1 1 A 68 68 SER CA C 68 61.500 62.672 -1.172 1
1 878 . 2 1 1 A 68 68 SER CB C 68 63.000 63.018 -0.018 1
1 879 . 2 1 1 A 68 68 SER N N 68 116.700 117.116 -0.416 1
1 880 . 2 1 1 A 69 69 VAL H H 69 7.660 7.798 -0.138 1
1 881 . 2 1 1 A 69 69 VAL HA H 69 3.860 3.485 0.375 1
1 889 . 2 1 1 A 69 69 VAL C C 69 177.400 178.167 -0.767 1
1 890 . 2 1 1 A 69 69 VAL CA C 69 64.900 66.977 -2.077 1
1 891 . 2 1 1 A 69 69 VAL CB C 69 31.900 31.461 0.439 1
1 894 . 2 1 1 A 69 69 VAL N N 69 119.800 121.635 -1.835 1
1 895 . 2 1 1 A 70 70 LYS H H 70 7.860 8.256 -0.396 1
1 896 . 2 1 1 A 70 70 LYS HA H 70 4.040 3.929 0.111 1
1 905 . 2 1 1 A 70 70 LYS C C 70 178.400 179.403 -1.003 1
1 906 . 2 1 1 A 70 70 LYS CA C 70 59.200 59.358 -0.158 1
1 907 . 2 1 1 A 70 70 LYS CB C 70 32.800 32.215 0.585 1
1 911 . 2 1 1 A 70 70 LYS N N 70 121.300 121.148 0.152 1
1 912 . 2 1 1 A 71 71 SER H H 71 8.390 8.537 -0.147 1
1 913 . 2 1 1 A 71 71 SER HA H 71 4.280 4.467 -0.187 1
1 916 . 2 1 1 A 71 71 SER C C 71 176.000 176.390 -0.390 1
1 917 . 2 1 1 A 71 71 SER CA C 71 60.700 60.987 -0.287 1
1 918 . 2 1 1 A 71 71 SER CB C 71 63.300 62.877 0.423 1
1 919 . 2 1 1 A 71 71 SER N N 71 114.400 115.479 -1.079 1
1 920 . 2 1 1 A 72 72 ASN H H 72 7.940 7.948 -0.008 1
1 921 . 2 1 1 A 72 72 ASN HA H 72 4.630 4.622 0.008 1
1 926 . 2 1 1 A 72 72 ASN C C 72 176.700 176.049 0.651 1
1 927 . 2 1 1 A 72 72 ASN CA C 72 55.000 55.938 -0.938 1
1 928 . 2 1 1 A 72 72 ASN CB C 72 39.000 38.463 0.537 1
1 930 . 2 1 1 A 72 72 ASN N N 72 119.700 120.501 -0.801 1
1 932 . 2 1 1 A 73 73 LEU H H 73 7.900 7.524 0.376 1
1 933 . 2 1 1 A 73 73 LEU HA H 73 4.180 4.177 0.003 1
1 943 . 2 1 1 A 73 73 LEU C C 73 178.400 176.641 1.759 1
1 944 . 2 1 1 A 73 73 LEU CA C 73 56.700 56.489 0.211 1
1 945 . 2 1 1 A 73 73 LEU CB C 73 42.300 42.957 -0.657 1
1 949 . 2 1 1 A 73 73 LEU N N 73 121.000 117.616 3.384 1
1 950 . 2 1 1 A 74 74 GLU H H 74 8.060 8.298 -0.238 1
1 951 . 2 1 1 A 74 74 GLU HA H 74 4.120 4.613 -0.493 1
1 956 . 2 1 1 A 74 74 GLU C C 74 177.100 175.737 1.363 1
1 957 . 2 1 1 A 74 74 GLU CA C 74 57.400 54.599 2.801 1
1 958 . 2 1 1 A 74 74 GLU CB C 74 29.900 31.097 -1.197 1
1 960 . 2 1 1 A 74 74 GLU N N 74 119.300 117.258 2.042 1
1 961 . 2 1 1 A 75 75 HIS H H 75 8.140 8.687 -0.547 1
1 962 . 2 1 1 A 75 75 HIS HA H 75 4.590 4.835 -0.245 1
1 966 . 2 1 1 A 75 75 HIS C C 75 174.900 174.735 0.165 1
1 967 . 2 1 1 A 75 75 HIS CA C 75 56.100 56.398 -0.298 1
1 968 . 2 1 1 A 75 75 HIS CB C 75 29.000 30.473 -1.473 1
1 970 . 2 1 1 A 75 75 HIS N N 75 117.500 125.836 -8.336 1
1 971 . 2 1 1 A 76 76 HIS H H 76 8.240 8.913 -0.673 1
1 972 . 2 1 1 A 76 76 HIS C C 76 174.500 173.033 1.467 1
1 973 . 2 1 1 A 76 76 HIS CA C 76 55.900 55.050 0.850 1
1 974 . 2 1 1 A 76 76 HIS CB C 76 29.300 33.400 -4.100 1
1 975 . 2 1 1 A 76 76 HIS N N 76 118.300 121.363 -3.063 1
1 976 . 2 1 1 A 77 77 HIS H H 77 8.400 8.795 -0.395 1
1 977 . 2 1 1 A 77 77 HIS HA H 77 4.640 4.765 -0.125 1
1 980 . 2 1 1 A 77 77 HIS C C 77 173.700 175.106 -1.406 1
1 981 . 2 1 1 A 77 77 HIS CA C 77 55.700 53.671 2.029 1
1 982 . 2 1 1 A 77 77 HIS CB C 77 29.700 31.546 -1.846 1
1 983 . 2 1 1 A 77 77 HIS N N 77 119.300 124.805 -5.505 1
1 984 . 2 1 1 A 78 78 HIS H H 78 8.330 8.828 -0.498 1
1 985 . 2 1 1 A 78 78 HIS CA C 78 57.200 59.477 -2.277 1
1 986 . 2 1 1 A 78 78 HIS CB C 78 29.900 30.602 -0.702 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 4.140 4.642 -0.502 1
1 5 . 3 1 1 A 2 2 ALA C C 2 173.800 176.302 -2.502 1
1 6 . 3 1 1 A 2 2 ALA CA C 2 51.800 51.208 0.592 1
1 7 . 3 1 1 A 2 2 ALA CB C 2 19.600 19.497 0.103 1
1 8 . 3 1 1 A 3 3 ILE H H 3 8.540 8.876 -0.336 1
1 9 . 3 1 1 A 3 3 ILE HA H 3 4.190 4.734 -0.544 1
1 19 . 3 1 1 A 3 3 ILE C C 3 176.000 174.919 1.081 1
1 20 . 3 1 1 A 3 3 ILE CA C 3 61.300 60.593 0.707 1
1 21 . 3 1 1 A 3 3 ILE CB C 3 38.800 38.716 0.084 1
1 25 . 3 1 1 A 3 3 ILE N N 3 120.500 124.161 -3.661 1
1 26 . 3 1 1 A 4 4 GLN H H 4 8.570 8.992 -0.422 1
1 27 . 3 1 1 A 4 4 GLN HA H 4 4.400 4.969 -0.569 1
1 34 . 3 1 1 A 4 4 GLN C C 4 175.700 174.727 0.973 1
1 35 . 3 1 1 A 4 4 GLN CA C 4 55.800 53.942 1.858 1
1 36 . 3 1 1 A 4 4 GLN CB C 4 29.600 32.306 -2.706 1
1 39 . 3 1 1 A 4 4 GLN N N 4 125.100 128.937 -3.837 1
1 41 . 3 1 1 A 5 5 SER H H 5 8.440 8.697 -0.257 1
1 42 . 3 1 1 A 5 5 SER HA H 5 4.420 4.048 0.372 1
1 45 . 3 1 1 A 5 5 SER C C 5 174.300 175.099 -0.799 1
1 46 . 3 1 1 A 5 5 SER CA C 5 58.200 59.836 -1.636 1
1 47 . 3 1 1 A 5 5 SER CB C 5 64.000 62.394 1.606 1
1 48 . 3 1 1 A 5 5 SER N N 5 118.100 119.880 -1.780 1
1 49 . 3 1 1 A 6 6 LYS H H 6 8.320 8.648 -0.328 1
1 50 . 3 1 1 A 6 6 LYS HA H 6 4.110 4.031 0.079 1
1 59 . 3 1 1 A 6 6 LYS C C 6 176.000 174.354 1.646 1
1 60 . 3 1 1 A 6 6 LYS CA C 6 57.200 57.511 -0.311 1
1 61 . 3 1 1 A 6 6 LYS CB C 6 33.100 31.917 1.183 1
1 65 . 3 1 1 A 6 6 LYS N N 6 123.600 124.265 -0.665 1
1 66 . 3 1 1 A 7 7 TYR H H 7 8.000 7.858 0.142 1
1 67 . 3 1 1 A 7 7 TYR HA H 7 4.800 5.525 -0.725 1
1 74 . 3 1 1 A 7 7 TYR C C 7 175.800 174.983 0.817 1
1 75 . 3 1 1 A 7 7 TYR CA C 7 57.000 56.691 0.309 1
1 76 . 3 1 1 A 7 7 TYR CB C 7 39.900 41.068 -1.168 1
1 81 . 3 1 1 A 7 7 TYR N N 7 118.900 119.972 -1.072 1
1 82 . 3 1 1 A 8 8 SER H H 8 8.770 8.822 -0.052 1
1 83 . 3 1 1 A 8 8 SER HA H 8 4.510 4.926 -0.416 1
1 86 . 3 1 1 A 8 8 SER C C 8 175.000 175.305 -0.305 1
1 87 . 3 1 1 A 8 8 SER CA C 8 57.500 57.496 0.004 1
1 88 . 3 1 1 A 8 8 SER CB C 8 64.700 65.394 -0.694 1
1 89 . 3 1 1 A 8 8 SER N N 8 118.600 119.239 -0.639 1
1 90 . 3 1 1 A 9 9 ASN H H 9 8.910 9.092 -0.182 1
1 91 . 3 1 1 A 9 9 ASN HA H 9 4.540 4.349 0.191 1
1 96 . 3 1 1 A 9 9 ASN C C 9 177.200 177.087 0.113 1
1 97 . 3 1 1 A 9 9 ASN CA C 9 55.900 56.835 -0.935 1
1 98 . 3 1 1 A 9 9 ASN CB C 9 38.200 38.554 -0.354 1
1 100 . 3 1 1 A 9 9 ASN N N 9 121.400 124.233 -2.833 1
1 102 . 3 1 1 A 10 10 THR H H 10 8.180 8.140 0.040 1
1 103 . 3 1 1 A 10 10 THR HA H 10 4.070 3.962 0.108 1
1 108 . 3 1 1 A 10 10 THR C C 10 176.600 176.680 -0.080 1
1 109 . 3 1 1 A 10 10 THR CA C 10 65.300 65.758 -0.458 1
1 110 . 3 1 1 A 10 10 THR CB C 10 68.800 68.290 0.510 1
1 112 . 3 1 1 A 10 10 THR N N 10 113.500 114.038 -0.538 1
1 113 . 3 1 1 A 11 11 GLN H H 11 7.950 7.972 -0.022 1
1 114 . 3 1 1 A 11 11 GLN HA H 11 4.160 4.005 0.155 1
1 121 . 3 1 1 A 11 11 GLN C C 11 178.400 178.136 0.264 1
1 122 . 3 1 1 A 11 11 GLN CA C 11 59.000 58.906 0.094 1
1 123 . 3 1 1 A 11 11 GLN CB C 11 29.200 28.778 0.422 1
1 126 . 3 1 1 A 11 11 GLN N N 11 122.500 121.491 1.009 1
1 128 . 3 1 1 A 12 12 VAL H H 12 7.850 8.195 -0.345 1
1 129 . 3 1 1 A 12 12 VAL HA H 12 3.540 3.462 0.078 1
1 137 . 3 1 1 A 12 12 VAL C C 12 177.400 178.081 -0.681 1
1 138 . 3 1 1 A 12 12 VAL CA C 12 66.400 66.949 -0.549 1
1 139 . 3 1 1 A 12 12 VAL CB C 12 32.300 31.360 0.940 1
1 142 . 3 1 1 A 12 12 VAL N N 12 119.000 119.461 -0.461 1
1 143 . 3 1 1 A 13 13 GLU H H 13 8.550 8.140 0.410 1
1 144 . 3 1 1 A 13 13 GLU HA H 13 3.910 3.997 -0.087 1
1 149 . 3 1 1 A 13 13 GLU C C 13 179.500 178.353 1.147 1
1 150 . 3 1 1 A 13 13 GLU CA C 13 59.700 59.502 0.198 1
1 151 . 3 1 1 A 13 13 GLU CB C 13 29.100 29.146 -0.046 1
1 153 . 3 1 1 A 13 13 GLU N N 13 118.300 120.559 -2.259 1
1 154 . 3 1 1 A 14 14 SER H H 14 8.080 8.095 -0.015 1
1 155 . 3 1 1 A 14 14 SER HA H 14 4.260 4.182 0.078 1
1 158 . 3 1 1 A 14 14 SER C C 14 176.200 177.465 -1.265 1
1 159 . 3 1 1 A 14 14 SER CA C 14 61.700 61.675 0.025 1
1 160 . 3 1 1 A 14 14 SER CB C 14 62.800 63.281 -0.481 1
1 161 . 3 1 1 A 14 14 SER N N 14 114.600 114.529 0.071 1
1 162 . 3 1 1 A 15 15 LEU H H 15 7.110 8.109 -0.999 1
1 163 . 3 1 1 A 15 15 LEU HA H 15 3.690 3.851 -0.161 1
1 173 . 3 1 1 A 15 15 LEU C C 15 177.800 179.097 -1.297 1
1 174 . 3 1 1 A 15 15 LEU CA C 15 57.700 58.135 -0.435 1
1 175 . 3 1 1 A 15 15 LEU CB C 15 42.300 42.217 0.083 1
1 179 . 3 1 1 A 15 15 LEU N N 15 122.200 121.389 0.811 1
1 180 . 3 1 1 A 16 16 ILE H H 16 8.030 8.180 -0.150 1
1 181 . 3 1 1 A 16 16 ILE HA H 16 3.220 3.603 -0.383 1
1 191 . 3 1 1 A 16 16 ILE C C 16 177.200 177.706 -0.506 1
1 192 . 3 1 1 A 16 16 ILE CA C 16 66.000 65.735 0.265 1
1 193 . 3 1 1 A 16 16 ILE CB C 16 39.100 37.693 1.407 1
1 197 . 3 1 1 A 16 16 ILE N N 16 117.900 118.509 -0.609 1
1 198 . 3 1 1 A 17 17 ALA H H 17 7.960 8.779 -0.819 1
1 199 . 3 1 1 A 17 17 ALA HA H 17 3.930 3.952 -0.022 1
1 203 . 3 1 1 A 17 17 ALA C C 17 180.600 179.964 0.636 1
1 204 . 3 1 1 A 17 17 ALA CA C 17 55.400 55.818 -0.418 1
1 205 . 3 1 1 A 17 17 ALA CB C 17 18.000 18.399 -0.399 1
1 206 . 3 1 1 A 17 17 ALA N N 17 118.300 122.079 -3.779 1
1 207 . 3 1 1 A 18 18 GLU H H 18 7.630 7.745 -0.115 1
1 208 . 3 1 1 A 18 18 GLU HA H 18 4.030 3.999 0.031 1
1 213 . 3 1 1 A 18 18 GLU C C 18 179.400 179.678 -0.278 1
1 214 . 3 1 1 A 18 18 GLU CA C 18 59.800 59.340 0.460 1
1 215 . 3 1 1 A 18 18 GLU CB C 18 30.300 29.936 0.364 1
1 217 . 3 1 1 A 18 18 GLU N N 18 116.300 117.839 -1.539 1
1 218 . 3 1 1 A 19 19 ILE H H 19 8.110 7.994 0.116 1
1 219 . 3 1 1 A 19 19 ILE HA H 19 3.590 3.642 -0.052 1
1 229 . 3 1 1 A 19 19 ILE C C 19 177.800 178.611 -0.811 1
1 230 . 3 1 1 A 19 19 ILE CA C 19 66.500 65.592 0.908 1
1 231 . 3 1 1 A 19 19 ILE CB C 19 37.500 37.636 -0.136 1
1 235 . 3 1 1 A 19 19 ILE N N 19 121.100 120.911 0.189 1
1 236 . 3 1 1 A 20 20 LEU H H 20 8.480 8.191 0.289 1
1 237 . 3 1 1 A 20 20 LEU HA H 20 4.020 4.118 -0.098 1
1 247 . 3 1 1 A 20 20 LEU C C 20 180.500 179.443 1.057 1
1 248 . 3 1 1 A 20 20 LEU CA C 20 58.600 57.902 0.698 1
1 249 . 3 1 1 A 20 20 LEU CB C 20 40.400 41.179 -0.779 1
1 253 . 3 1 1 A 20 20 LEU N N 20 118.300 119.124 -0.824 1
1 254 . 3 1 1 A 21 21 VAL H H 21 7.810 8.042 -0.232 1
1 255 . 3 1 1 A 21 21 VAL HA H 21 3.770 3.629 0.141 1
1 263 . 3 1 1 A 21 21 VAL C C 21 178.200 178.661 -0.461 1
1 264 . 3 1 1 A 21 21 VAL CA C 21 66.800 66.967 -0.167 1
1 265 . 3 1 1 A 21 21 VAL CB C 21 31.600 31.496 0.104 1
1 268 . 3 1 1 A 21 21 VAL N N 21 119.700 119.467 0.233 1
1 269 . 3 1 1 A 22 22 VAL H H 22 7.530 7.982 -0.452 1
1 270 . 3 1 1 A 22 22 VAL HA H 22 3.610 3.596 0.014 1
1 278 . 3 1 1 A 22 22 VAL C C 22 178.500 178.000 0.500 1
1 279 . 3 1 1 A 22 22 VAL CA C 22 67.300 67.110 0.190 1
1 280 . 3 1 1 A 22 22 VAL CB C 22 31.500 31.417 0.083 1
1 283 . 3 1 1 A 22 22 VAL N N 22 121.400 120.269 1.131 1
1 284 . 3 1 1 A 23 23 LEU H H 23 7.610 7.936 -0.326 1
1 285 . 3 1 1 A 23 23 LEU HA H 23 3.880 3.831 0.049 1
1 295 . 3 1 1 A 23 23 LEU C C 23 179.700 179.735 -0.035 1
1 296 . 3 1 1 A 23 23 LEU CA C 23 58.400 58.475 -0.075 1
1 297 . 3 1 1 A 23 23 LEU CB C 23 40.900 41.684 -0.784 1
1 301 . 3 1 1 A 23 23 LEU N N 23 116.800 119.216 -2.416 1
1 302 . 3 1 1 A 24 24 GLU H H 24 8.160 8.637 -0.477 1
1 303 . 3 1 1 A 24 24 GLU HA H 24 4.170 3.979 0.191 1
1 308 . 3 1 1 A 24 24 GLU C C 24 180.900 179.989 0.911 1
1 309 . 3 1 1 A 24 24 GLU CA C 24 59.000 59.606 -0.606 1
1 310 . 3 1 1 A 24 24 GLU CB C 24 29.700 29.279 0.421 1
1 312 . 3 1 1 A 24 24 GLU N N 24 119.200 118.006 1.194 1
1 313 . 3 1 1 A 25 25 LYS H H 25 8.980 8.045 0.935 1
1 314 . 3 1 1 A 25 25 LYS HA H 25 4.050 4.079 -0.029 1
1 323 . 3 1 1 A 25 25 LYS C C 25 178.600 179.255 -0.655 1
1 324 . 3 1 1 A 25 25 LYS CA C 25 59.300 58.867 0.433 1
1 325 . 3 1 1 A 25 25 LYS CB C 25 32.100 31.983 0.117 1
1 329 . 3 1 1 A 25 25 LYS N N 25 122.900 120.596 2.304 1
1 330 . 3 1 1 A 26 26 HIS H H 26 7.400 7.620 -0.220 1
1 331 . 3 1 1 A 26 26 HIS HA H 26 4.460 4.580 -0.120 1
1 336 . 3 1 1 A 26 26 HIS C C 26 173.600 174.775 -1.175 1
1 337 . 3 1 1 A 26 26 HIS CA C 26 56.500 57.312 -0.812 1
1 338 . 3 1 1 A 26 26 HIS CB C 26 29.200 30.223 -1.023 1
1 341 . 3 1 1 A 26 26 HIS N N 26 113.800 114.983 -1.183 1
1 342 . 3 1 1 A 27 27 LYS H H 27 8.200 7.836 0.364 1
1 343 . 3 1 1 A 27 27 LYS HA H 27 3.950 3.887 0.063 1
1 352 . 3 1 1 A 27 27 LYS C C 27 176.500 175.438 1.062 1
1 353 . 3 1 1 A 27 27 LYS CA C 27 56.600 57.316 -0.716 1
1 354 . 3 1 1 A 27 27 LYS CB C 27 29.600 30.824 -1.224 1
1 358 . 3 1 1 A 27 27 LYS N N 27 119.500 119.174 0.326 1
1 359 . 3 1 1 A 28 28 ALA H H 28 7.760 7.550 0.210 1
1 360 . 3 1 1 A 28 28 ALA HA H 28 4.490 4.483 0.007 1
1 364 . 3 1 1 A 28 28 ALA CA C 28 51.000 50.582 0.418 1
1 365 . 3 1 1 A 28 28 ALA CB C 28 19.200 18.858 0.342 1
1 366 . 3 1 1 A 28 28 ALA N N 28 121.500 120.116 1.384 1
1 367 . 3 1 1 A 29 29 PRO HA H 29 4.720 4.558 0.162 1
1 374 . 3 1 1 A 29 29 PRO C C 29 177.400 177.375 0.025 1
1 375 . 3 1 1 A 29 29 PRO CA C 29 62.100 62.699 -0.599 1
1 376 . 3 1 1 A 29 29 PRO CB C 29 33.000 33.116 -0.116 1
1 379 . 3 1 1 A 30 30 THR H H 30 8.830 8.429 0.401 1
1 380 . 3 1 1 A 30 30 THR HA H 30 3.680 3.937 -0.257 1
1 385 . 3 1 1 A 30 30 THR C C 30 175.200 175.680 -0.480 1
1 386 . 3 1 1 A 30 30 THR CA C 30 67.400 65.627 1.773 1
1 387 . 3 1 1 A 30 30 THR CB C 30 68.500 68.639 -0.139 1
1 389 . 3 1 1 A 30 30 THR N N 30 120.400 116.998 3.402 1
1 390 . 3 1 1 A 31 31 ASP H H 31 8.880 8.301 0.579 1
1 391 . 3 1 1 A 31 31 ASP HA H 31 4.220 4.284 -0.064 1
1 394 . 3 1 1 A 31 31 ASP C C 31 179.000 178.378 0.622 1
1 395 . 3 1 1 A 31 31 ASP CA C 31 57.400 57.139 0.261 1
1 396 . 3 1 1 A 31 31 ASP CB C 31 38.700 40.596 -1.896 1
1 397 . 3 1 1 A 31 31 ASP N N 31 118.600 120.786 -2.186 1
1 398 . 3 1 1 A 32 32 LEU H H 32 7.540 7.806 -0.266 1
1 399 . 3 1 1 A 32 32 LEU HA H 32 3.970 4.107 -0.137 1
1 409 . 3 1 1 A 32 32 LEU C C 32 178.100 178.726 -0.626 1
1 410 . 3 1 1 A 32 32 LEU CA C 32 57.500 57.205 0.295 1
1 411 . 3 1 1 A 32 32 LEU CB C 32 40.600 41.236 -0.636 1
1 415 . 3 1 1 A 32 32 LEU N N 32 124.300 121.628 2.672 1
1 416 . 3 1 1 A 33 33 SER H H 33 8.420 8.524 -0.104 1
1 417 . 3 1 1 A 33 33 SER HA H 33 3.860 4.130 -0.270 1
1 420 . 3 1 1 A 33 33 SER C C 33 175.900 177.548 -1.648 1
1 421 . 3 1 1 A 33 33 SER CA C 33 63.100 61.431 1.669 1
1 422 . 3 1 1 A 33 33 SER CB C 33 62.900 63.004 -0.104 1
1 423 . 3 1 1 A 33 33 SER N N 33 116.000 114.857 1.143 1
1 424 . 3 1 1 A 34 34 LEU H H 34 8.400 8.282 0.118 1
1 425 . 3 1 1 A 34 34 LEU HA H 34 4.010 4.026 -0.016 1
1 435 . 3 1 1 A 34 34 LEU C C 34 179.500 179.059 0.441 1
1 436 . 3 1 1 A 34 34 LEU CA C 34 58.700 57.819 0.881 1
1 437 . 3 1 1 A 34 34 LEU CB C 34 41.500 41.156 0.344 1
1 441 . 3 1 1 A 34 34 LEU N N 34 120.400 121.698 -1.298 1
1 442 . 3 1 1 A 35 35 MET H H 35 7.970 8.165 -0.195 1
1 443 . 3 1 1 A 35 35 MET HA H 35 4.210 4.254 -0.044 1
1 451 . 3 1 1 A 35 35 MET C C 35 178.900 177.835 1.065 1
1 452 . 3 1 1 A 35 35 MET CA C 35 59.100 58.455 0.645 1
1 453 . 3 1 1 A 35 35 MET CB C 35 33.100 32.284 0.816 1
1 456 . 3 1 1 A 35 35 MET N N 35 120.300 118.810 1.490 1
1 457 . 3 1 1 A 36 36 ALA H H 36 8.710 8.366 0.344 1
1 458 . 3 1 1 A 36 36 ALA HA H 36 3.900 4.047 -0.147 1
1 462 . 3 1 1 A 36 36 ALA C C 36 179.700 179.970 -0.270 1
1 463 . 3 1 1 A 36 36 ALA CA C 36 55.400 55.149 0.251 1
1 464 . 3 1 1 A 36 36 ALA CB C 36 18.600 17.927 0.673 1
1 465 . 3 1 1 A 36 36 ALA N N 36 121.700 121.381 0.319 1
1 466 . 3 1 1 A 37 37 LEU H H 37 8.750 8.255 0.495 1
1 467 . 3 1 1 A 37 37 LEU HA H 37 3.980 3.958 0.022 1
1 477 . 3 1 1 A 37 37 LEU C C 37 179.600 179.076 0.524 1
1 478 . 3 1 1 A 37 37 LEU CA C 37 59.000 58.223 0.777 1
1 479 . 3 1 1 A 37 37 LEU CB C 37 42.000 41.999 0.001 1
1 483 . 3 1 1 A 37 37 LEU N N 37 118.100 119.050 -0.950 1
1 484 . 3 1 1 A 38 38 GLY H H 38 8.780 8.469 0.311 1
1 485 . 3 1 1 A 38 38 GLY HA2 H 38 3.650 3.761 -0.111 1
1 486 . 3 1 1 A 38 38 GLY HA3 H 38 3.940 3.763 0.177 1
1 487 . 3 1 1 A 38 38 GLY C C 38 175.600 176.046 -0.446 1
1 488 . 3 1 1 A 38 38 GLY CA C 38 48.300 47.493 0.807 1
1 489 . 3 1 1 A 38 38 GLY N N 38 105.600 105.198 0.402 1
1 490 . 3 1 1 A 39 39 ASN H H 39 8.180 8.090 0.090 1
1 491 . 3 1 1 A 39 39 ASN HA H 39 4.550 4.465 0.085 1
1 496 . 3 1 1 A 39 39 ASN C C 39 178.400 177.757 0.643 1
1 497 . 3 1 1 A 39 39 ASN CA C 39 56.000 56.045 -0.045 1
1 498 . 3 1 1 A 39 39 ASN CB C 39 39.200 38.047 1.153 1
1 500 . 3 1 1 A 39 39 ASN N N 39 120.000 119.434 0.566 1
1 502 . 3 1 1 A 40 40 CYS H H 40 8.420 8.011 0.409 1
1 503 . 3 1 1 A 40 40 CYS HA H 40 4.010 4.108 -0.098 1
1 506 . 3 1 1 A 40 40 CYS C C 40 176.000 177.162 -1.162 1
1 507 . 3 1 1 A 40 40 CYS CA C 40 65.300 64.286 1.014 1
1 508 . 3 1 1 A 40 40 CYS CB C 40 27.200 26.859 0.341 1
1 509 . 3 1 1 A 40 40 CYS N N 40 120.200 118.571 1.629 1
1 510 . 3 1 1 A 41 41 VAL H H 41 7.830 8.233 -0.403 1
1 511 . 3 1 1 A 41 41 VAL HA H 41 3.250 3.397 -0.147 1
1 519 . 3 1 1 A 41 41 VAL C C 41 177.500 178.348 -0.848 1
1 520 . 3 1 1 A 41 41 VAL CA C 41 67.500 66.949 0.551 1
1 521 . 3 1 1 A 41 41 VAL CB C 41 30.800 31.661 -0.861 1
1 524 . 3 1 1 A 41 41 VAL N N 41 119.400 121.284 -1.884 1
1 525 . 3 1 1 A 42 42 THR H H 42 8.270 7.803 0.467 1
1 526 . 3 1 1 A 42 42 THR HA H 42 3.520 4.021 -0.501 1
1 531 . 3 1 1 A 42 42 THR C C 42 176.200 176.523 -0.323 1
1 532 . 3 1 1 A 42 42 THR CA C 42 67.800 66.190 1.610 1
1 533 . 3 1 1 A 42 42 THR CB C 42 67.800 68.174 -0.374 1
1 535 . 3 1 1 A 42 42 THR N N 42 113.600 111.712 1.888 1
1 536 . 3 1 1 A 43 43 HIS H H 43 8.250 7.944 0.306 1
1 537 . 3 1 1 A 43 43 HIS HA H 43 4.310 4.196 0.114 1
1 542 . 3 1 1 A 43 43 HIS C C 43 177.200 177.090 0.110 1
1 543 . 3 1 1 A 43 43 HIS CA C 43 59.300 59.774 -0.474 1
1 544 . 3 1 1 A 43 43 HIS CB C 43 28.900 29.643 -0.743 1
1 547 . 3 1 1 A 43 43 HIS N N 43 120.000 123.173 -3.173 1
1 550 . 3 1 1 A 44 44 LEU H H 44 8.070 8.192 -0.122 1
1 551 . 3 1 1 A 44 44 LEU HA H 44 3.960 3.865 0.095 1
1 561 . 3 1 1 A 44 44 LEU C C 44 179.300 179.168 0.132 1
1 562 . 3 1 1 A 44 44 LEU CA C 44 58.400 57.804 0.596 1
1 563 . 3 1 1 A 44 44 LEU CB C 44 42.200 41.301 0.899 1
1 567 . 3 1 1 A 44 44 LEU N N 44 119.400 119.893 -0.493 1
1 568 . 3 1 1 A 45 45 LEU H H 45 8.410 7.897 0.513 1
1 569 . 3 1 1 A 45 45 LEU HA H 45 3.850 3.822 0.028 1
1 579 . 3 1 1 A 45 45 LEU C C 45 178.700 179.406 -0.706 1
1 580 . 3 1 1 A 45 45 LEU CA C 45 58.200 58.139 0.061 1
1 581 . 3 1 1 A 45 45 LEU CB C 45 41.800 41.534 0.266 1
1 585 . 3 1 1 A 45 45 LEU N N 45 118.100 119.499 -1.399 1
1 586 . 3 1 1 A 46 46 GLU H H 46 8.120 8.269 -0.149 1
1 587 . 3 1 1 A 46 46 GLU HA H 46 3.740 4.161 -0.421 1
1 592 . 3 1 1 A 46 46 GLU C C 46 178.000 176.997 1.003 1
1 593 . 3 1 1 A 46 46 GLU CA C 46 58.900 58.806 0.094 1
1 594 . 3 1 1 A 46 46 GLU CB C 46 29.700 29.304 0.396 1
1 596 . 3 1 1 A 46 46 GLU N N 46 115.000 116.796 -1.796 1
1 597 . 3 1 1 A 47 47 ARG H H 47 7.740 7.588 0.152 1
1 598 . 3 1 1 A 47 47 ARG HA H 47 4.270 4.333 -0.063 1
1 606 . 3 1 1 A 47 47 ARG C C 47 178.500 177.893 0.607 1
1 607 . 3 1 1 A 47 47 ARG CA C 47 57.000 57.432 -0.432 1
1 608 . 3 1 1 A 47 47 ARG CB C 47 31.600 31.183 0.417 1
1 611 . 3 1 1 A 47 47 ARG N N 47 114.000 118.108 -4.108 1
1 613 . 3 1 1 A 48 48 LYS H H 48 8.210 8.306 -0.096 1
1 614 . 3 1 1 A 48 48 LYS HA H 48 4.620 4.363 0.257 1
1 623 . 3 1 1 A 48 48 LYS C C 48 176.400 175.810 0.590 1
1 624 . 3 1 1 A 48 48 LYS CA C 48 55.500 56.754 -1.254 1
1 625 . 3 1 1 A 48 48 LYS CB C 48 34.500 32.947 1.553 1
1 629 . 3 1 1 A 48 48 LYS N N 48 114.000 116.711 -2.711 1
1 630 . 3 1 1 A 49 49 VAL H H 49 7.630 7.278 0.352 1
1 631 . 3 1 1 A 49 49 VAL HA H 49 4.710 4.362 0.348 1
1 639 . 3 1 1 A 49 49 VAL CA C 49 59.400 58.420 0.980 1
1 640 . 3 1 1 A 49 49 VAL CB C 49 33.600 34.217 -0.617 1
1 643 . 3 1 1 A 49 49 VAL N N 49 121.800 118.994 2.806 1
1 644 . 3 1 1 A 50 50 PRO HA H 50 4.460 4.520 -0.060 1
1 651 . 3 1 1 A 50 50 PRO C C 50 177.900 177.621 0.279 1
1 652 . 3 1 1 A 50 50 PRO CA C 50 63.200 62.695 0.505 1
1 653 . 3 1 1 A 50 50 PRO CB C 50 32.900 32.633 0.267 1
1 656 . 3 1 1 A 51 51 SER H H 51 8.950 8.731 0.219 1
1 657 . 3 1 1 A 51 51 SER HA H 51 3.910 4.140 -0.230 1
1 660 . 3 1 1 A 51 51 SER C C 51 176.300 176.486 -0.186 1
1 661 . 3 1 1 A 51 51 SER CA C 51 62.800 61.788 1.012 1
1 662 . 3 1 1 A 51 51 SER CB C 51 62.700 62.931 -0.231 1
1 663 . 3 1 1 A 51 51 SER N N 51 119.000 118.756 0.244 1
1 664 . 3 1 1 A 52 52 GLU H H 52 9.480 7.987 1.493 1
1 665 . 3 1 1 A 52 52 GLU HA H 52 4.220 4.070 0.150 1
1 670 . 3 1 1 A 52 52 GLU C C 52 177.000 178.955 -1.955 1
1 671 . 3 1 1 A 52 52 GLU CA C 52 59.200 59.120 0.080 1
1 672 . 3 1 1 A 52 52 GLU CB C 52 28.700 29.412 -0.712 1
1 674 . 3 1 1 A 52 52 GLU N N 52 118.900 121.870 -2.970 1
1 675 . 3 1 1 A 53 53 SER H H 53 7.770 8.196 -0.426 1
1 676 . 3 1 1 A 53 53 SER HA H 53 4.940 4.241 0.699 1
1 679 . 3 1 1 A 53 53 SER C C 53 174.200 176.941 -2.741 1
1 680 . 3 1 1 A 53 53 SER CA C 53 58.200 61.479 -3.279 1
1 681 . 3 1 1 A 53 53 SER CB C 53 64.800 62.865 1.935 1
1 682 . 3 1 1 A 53 53 SER N N 53 112.500 116.990 -4.490 1
1 683 . 3 1 1 A 54 54 ARG H H 54 7.380 7.953 -0.573 1
1 684 . 3 1 1 A 54 54 ARG HA H 54 3.630 4.085 -0.455 1
1 696 . 3 1 1 A 54 54 ARG C C 54 177.200 178.908 -1.708 1
1 697 . 3 1 1 A 54 54 ARG CA C 54 61.400 59.399 2.001 1
1 698 . 3 1 1 A 54 54 ARG CB C 54 31.200 29.939 1.261 1
1 701 . 3 1 1 A 54 54 ARG N N 54 122.100 121.904 0.196 1
1 703 . 3 1 1 A 55 55 GLN H H 55 9.010 8.015 0.995 1
1 704 . 3 1 1 A 55 55 GLN HA H 55 3.840 4.035 -0.195 1
1 711 . 3 1 1 A 55 55 GLN C C 55 178.000 178.705 -0.705 1
1 712 . 3 1 1 A 55 55 GLN CA C 55 59.700 58.602 1.098 1
1 713 . 3 1 1 A 55 55 GLN CB C 55 28.100 28.673 -0.573 1
1 716 . 3 1 1 A 55 55 GLN N N 55 118.000 119.589 -1.589 1
1 718 . 3 1 1 A 56 56 ALA H H 56 8.280 7.287 0.993 1
1 719 . 3 1 1 A 56 56 ALA HA H 56 4.190 4.098 0.092 1
1 723 . 3 1 1 A 56 56 ALA C C 56 181.200 180.062 1.138 1
1 724 . 3 1 1 A 56 56 ALA CA C 56 55.200 55.046 0.154 1
1 725 . 3 1 1 A 56 56 ALA CB C 56 17.900 18.377 -0.477 1
1 726 . 3 1 1 A 56 56 ALA N N 56 122.300 121.961 0.339 1
1 727 . 3 1 1 A 57 57 VAL H H 57 8.150 8.468 -0.318 1
1 728 . 3 1 1 A 57 57 VAL HA H 57 3.740 3.435 0.305 1
1 736 . 3 1 1 A 57 57 VAL C C 57 178.900 178.155 0.745 1
1 737 . 3 1 1 A 57 57 VAL CA C 57 66.700 66.595 0.105 1
1 738 . 3 1 1 A 57 57 VAL CB C 57 31.700 31.478 0.222 1
1 741 . 3 1 1 A 57 57 VAL N N 57 119.600 118.892 0.708 1
1 742 . 3 1 1 A 58 58 ALA H H 58 8.370 7.644 0.726 1
1 743 . 3 1 1 A 58 58 ALA HA H 58 3.910 3.949 -0.039 1
1 747 . 3 1 1 A 58 58 ALA C C 58 179.500 178.994 0.506 1
1 748 . 3 1 1 A 58 58 ALA CA C 58 55.800 55.473 0.327 1
1 749 . 3 1 1 A 58 58 ALA CB C 58 18.500 18.125 0.375 1
1 750 . 3 1 1 A 58 58 ALA N N 58 123.000 121.955 1.045 1
1 751 . 3 1 1 A 59 59 GLU H H 59 8.630 7.978 0.652 1
1 752 . 3 1 1 A 59 59 GLU HA H 59 4.100 4.035 0.065 1
1 757 . 3 1 1 A 59 59 GLU C C 59 179.400 179.332 0.068 1
1 758 . 3 1 1 A 59 59 GLU CA C 59 59.600 59.739 -0.139 1
1 759 . 3 1 1 A 59 59 GLU CB C 59 29.300 29.198 0.102 1
1 761 . 3 1 1 A 59 59 GLU N N 59 118.400 118.611 -0.211 1
1 762 . 3 1 1 A 60 60 GLN H H 60 8.280 8.379 -0.099 1
1 763 . 3 1 1 A 60 60 GLN HA H 60 4.090 4.124 -0.034 1
1 770 . 3 1 1 A 60 60 GLN C C 60 178.700 178.348 0.352 1
1 771 . 3 1 1 A 60 60 GLN CA C 60 59.100 58.664 0.436 1
1 772 . 3 1 1 A 60 60 GLN CB C 60 28.100 28.939 -0.839 1
1 775 . 3 1 1 A 60 60 GLN N N 60 120.400 118.452 1.948 1
1 777 . 3 1 1 A 61 61 PHE H H 61 8.400 8.633 -0.233 1
1 778 . 3 1 1 A 61 61 PHE HA H 61 4.160 4.259 -0.099 1
1 786 . 3 1 1 A 61 61 PHE C C 61 177.600 177.580 0.020 1
1 787 . 3 1 1 A 61 61 PHE CA C 61 61.400 61.622 -0.222 1
1 788 . 3 1 1 A 61 61 PHE CB C 61 39.100 39.108 -0.008 1
1 794 . 3 1 1 A 61 61 PHE N N 61 122.000 122.682 -0.682 1
1 795 . 3 1 1 A 62 62 ALA H H 62 8.620 8.401 0.219 1
1 796 . 3 1 1 A 62 62 ALA HA H 62 3.980 4.023 -0.043 1
1 800 . 3 1 1 A 62 62 ALA C C 62 179.700 179.652 0.048 1
1 801 . 3 1 1 A 62 62 ALA CA C 62 55.500 55.426 0.074 1
1 802 . 3 1 1 A 62 62 ALA CB C 62 18.900 18.288 0.612 1
1 803 . 3 1 1 A 62 62 ALA N N 62 122.000 121.617 0.383 1
1 804 . 3 1 1 A 63 63 LYS H H 63 8.470 8.053 0.417 1
1 805 . 3 1 1 A 63 63 LYS HA H 63 4.050 4.013 0.037 1
1 814 . 3 1 1 A 63 63 LYS C C 63 179.200 179.089 0.111 1
1 815 . 3 1 1 A 63 63 LYS CA C 63 59.600 59.168 0.432 1
1 816 . 3 1 1 A 63 63 LYS CB C 63 32.600 31.875 0.725 1
1 820 . 3 1 1 A 63 63 LYS N N 63 119.500 116.549 2.951 1
1 821 . 3 1 1 A 64 64 ALA H H 64 8.000 8.008 -0.008 1
1 822 . 3 1 1 A 64 64 ALA HA H 64 4.100 4.004 0.096 1
1 826 . 3 1 1 A 64 64 ALA C C 64 180.700 180.291 0.409 1
1 827 . 3 1 1 A 64 64 ALA CA C 64 55.000 54.901 0.099 1
1 828 . 3 1 1 A 64 64 ALA CB C 64 17.700 17.933 -0.233 1
1 829 . 3 1 1 A 64 64 ALA N N 64 122.000 122.232 -0.232 1
1 830 . 3 1 1 A 65 65 LEU H H 65 7.830 8.179 -0.349 1
1 831 . 3 1 1 A 65 65 LEU HA H 65 3.950 3.913 0.037 1
1 841 . 3 1 1 A 65 65 LEU C C 65 178.900 178.187 0.713 1
1 842 . 3 1 1 A 65 65 LEU CA C 65 57.800 57.535 0.265 1
1 843 . 3 1 1 A 65 65 LEU CB C 65 41.700 41.447 0.253 1
1 847 . 3 1 1 A 65 65 LEU N N 65 120.600 120.319 0.281 1
1 848 . 3 1 1 A 66 66 ALA H H 66 7.990 8.397 -0.407 1
1 849 . 3 1 1 A 66 66 ALA HA H 66 3.840 3.961 -0.121 1
1 853 . 3 1 1 A 66 66 ALA C C 66 180.300 179.517 0.783 1
1 854 . 3 1 1 A 66 66 ALA CA C 66 55.500 55.050 0.450 1
1 855 . 3 1 1 A 66 66 ALA CB C 66 17.900 18.113 -0.213 1
1 856 . 3 1 1 A 66 66 ALA N N 66 120.900 121.171 -0.271 1
1 857 . 3 1 1 A 67 67 GLN H H 67 8.140 8.205 -0.065 1
1 858 . 3 1 1 A 67 67 GLN HA H 67 4.070 3.973 0.097 1
1 865 . 3 1 1 A 67 67 GLN C C 67 178.400 178.093 0.307 1
1 866 . 3 1 1 A 67 67 GLN CA C 67 58.300 59.118 -0.818 1
1 867 . 3 1 1 A 67 67 GLN CB C 67 28.400 28.398 0.002 1
1 870 . 3 1 1 A 67 67 GLN N N 67 116.600 118.675 -2.075 1
1 872 . 3 1 1 A 68 68 SER H H 68 8.120 7.928 0.192 1
1 873 . 3 1 1 A 68 68 SER HA H 68 4.220 4.224 -0.004 1
1 876 . 3 1 1 A 68 68 SER C C 68 176.500 177.489 -0.989 1
1 877 . 3 1 1 A 68 68 SER CA C 68 61.500 61.391 0.109 1
1 878 . 3 1 1 A 68 68 SER CB C 68 63.000 62.793 0.207 1
1 879 . 3 1 1 A 68 68 SER N N 68 116.700 115.239 1.461 1
1 880 . 3 1 1 A 69 69 VAL H H 69 7.660 7.834 -0.174 1
1 881 . 3 1 1 A 69 69 VAL HA H 69 3.860 3.514 0.346 1
1 889 . 3 1 1 A 69 69 VAL C C 69 177.400 178.227 -0.827 1
1 890 . 3 1 1 A 69 69 VAL CA C 69 64.900 67.199 -2.299 1
1 891 . 3 1 1 A 69 69 VAL CB C 69 31.900 31.418 0.482 1
1 894 . 3 1 1 A 69 69 VAL N N 69 119.800 121.411 -1.611 1
1 895 . 3 1 1 A 70 70 LYS H H 70 7.860 7.803 0.057 1
1 896 . 3 1 1 A 70 70 LYS HA H 70 4.040 4.228 -0.188 1
1 905 . 3 1 1 A 70 70 LYS C C 70 178.400 177.403 0.997 1
1 906 . 3 1 1 A 70 70 LYS CA C 70 59.200 58.228 0.972 1
1 907 . 3 1 1 A 70 70 LYS CB C 70 32.800 31.896 0.904 1
1 911 . 3 1 1 A 70 70 LYS N N 70 121.300 119.914 1.386 1
1 912 . 3 1 1 A 71 71 SER H H 71 8.390 7.831 0.559 1
1 913 . 3 1 1 A 71 71 SER HA H 71 4.280 4.563 -0.283 1
1 916 . 3 1 1 A 71 71 SER C C 71 176.000 175.085 0.915 1
1 917 . 3 1 1 A 71 71 SER CA C 71 60.700 58.841 1.859 1
1 918 . 3 1 1 A 71 71 SER CB C 71 63.300 63.790 -0.490 1
1 919 . 3 1 1 A 71 71 SER N N 71 114.400 114.135 0.265 1
1 920 . 3 1 1 A 72 72 ASN H H 72 7.940 7.929 0.011 1
1 921 . 3 1 1 A 72 72 ASN HA H 72 4.630 4.492 0.138 1
1 926 . 3 1 1 A 72 72 ASN C C 72 176.700 176.833 -0.133 1
1 927 . 3 1 1 A 72 72 ASN CA C 72 55.000 55.848 -0.848 1
1 928 . 3 1 1 A 72 72 ASN CB C 72 39.000 38.954 0.046 1
1 930 . 3 1 1 A 72 72 ASN N N 72 119.700 119.451 0.249 1
1 932 . 3 1 1 A 73 73 LEU H H 73 7.900 7.726 0.174 1
1 933 . 3 1 1 A 73 73 LEU HA H 73 4.180 4.319 -0.139 1
1 943 . 3 1 1 A 73 73 LEU C C 73 178.400 177.484 0.916 1
1 944 . 3 1 1 A 73 73 LEU CA C 73 56.700 54.770 1.930 1
1 945 . 3 1 1 A 73 73 LEU CB C 73 42.300 41.806 0.494 1
1 949 . 3 1 1 A 73 73 LEU N N 73 121.000 117.892 3.108 1
1 950 . 3 1 1 A 74 74 GLU H H 74 8.060 8.315 -0.255 1
1 951 . 3 1 1 A 74 74 GLU HA H 74 4.120 4.187 -0.067 1
1 956 . 3 1 1 A 74 74 GLU C C 74 177.100 176.772 0.328 1
1 957 . 3 1 1 A 74 74 GLU CA C 74 57.400 59.309 -1.909 1
1 958 . 3 1 1 A 74 74 GLU CB C 74 29.900 29.384 0.516 1
1 960 . 3 1 1 A 74 74 GLU N N 74 119.300 120.601 -1.301 1
1 961 . 3 1 1 A 75 75 HIS H H 75 8.140 8.053 0.087 1
1 962 . 3 1 1 A 75 75 HIS HA H 75 4.590 4.953 -0.363 1
1 966 . 3 1 1 A 75 75 HIS C C 75 174.900 173.534 1.366 1
1 967 . 3 1 1 A 75 75 HIS CA C 75 56.100 54.182 1.918 1
1 968 . 3 1 1 A 75 75 HIS CB C 75 29.000 31.347 -2.347 1
1 970 . 3 1 1 A 75 75 HIS N N 75 117.500 119.424 -1.924 1
1 971 . 3 1 1 A 76 76 HIS H H 76 8.240 9.106 -0.866 1
1 972 . 3 1 1 A 76 76 HIS C C 76 174.500 173.667 0.833 1
1 973 . 3 1 1 A 76 76 HIS CA C 76 55.900 53.847 2.053 1
1 974 . 3 1 1 A 76 76 HIS CB C 76 29.300 31.901 -2.601 1
1 975 . 3 1 1 A 76 76 HIS N N 76 118.300 129.024 -10.724 1
1 976 . 3 1 1 A 77 77 HIS H H 77 8.400 8.892 -0.492 1
1 977 . 3 1 1 A 77 77 HIS HA H 77 4.640 5.025 -0.385 1
1 980 . 3 1 1 A 77 77 HIS C C 77 173.700 174.476 -0.776 1
1 981 . 3 1 1 A 77 77 HIS CA C 77 55.700 54.461 1.239 1
1 982 . 3 1 1 A 77 77 HIS CB C 77 29.700 31.215 -1.515 1
1 983 . 3 1 1 A 77 77 HIS N N 77 119.300 123.354 -4.054 1
1 984 . 3 1 1 A 78 78 HIS H H 78 8.330 8.700 -0.370 1
1 985 . 3 1 1 A 78 78 HIS CA C 78 57.200 56.093 1.107 1
1 986 . 3 1 1 A 78 78 HIS CB C 78 29.900 29.885 0.015 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 4.140 4.891 -0.751 1
1 5 . 4 1 1 A 2 2 ALA C C 2 173.800 175.825 -2.025 1
1 6 . 4 1 1 A 2 2 ALA CA C 2 51.800 51.626 0.174 1
1 7 . 4 1 1 A 2 2 ALA CB C 2 19.600 23.319 -3.719 1
1 8 . 4 1 1 A 3 3 ILE H H 3 8.540 8.470 0.070 1
1 9 . 4 1 1 A 3 3 ILE HA H 3 4.190 4.482 -0.292 1
1 19 . 4 1 1 A 3 3 ILE C C 3 176.000 175.729 0.271 1
1 20 . 4 1 1 A 3 3 ILE CA C 3 61.300 59.879 1.421 1
1 21 . 4 1 1 A 3 3 ILE CB C 3 38.800 40.189 -1.389 1
1 25 . 4 1 1 A 3 3 ILE N N 3 120.500 115.779 4.721 1
1 26 . 4 1 1 A 4 4 GLN H H 4 8.570 8.699 -0.129 1
1 27 . 4 1 1 A 4 4 GLN HA H 4 4.400 4.041 0.359 1
1 34 . 4 1 1 A 4 4 GLN C C 4 175.700 173.797 1.903 1
1 35 . 4 1 1 A 4 4 GLN CA C 4 55.800 57.973 -2.173 1
1 36 . 4 1 1 A 4 4 GLN CB C 4 29.600 27.308 2.292 1
1 39 . 4 1 1 A 4 4 GLN N N 4 125.100 122.052 3.048 1
1 41 . 4 1 1 A 5 5 SER H H 5 8.440 8.429 0.011 1
1 42 . 4 1 1 A 5 5 SER HA H 5 4.420 4.810 -0.390 1
1 45 . 4 1 1 A 5 5 SER C C 5 174.300 174.356 -0.056 1
1 46 . 4 1 1 A 5 5 SER CA C 5 58.200 57.308 0.892 1
1 47 . 4 1 1 A 5 5 SER CB C 5 64.000 66.796 -2.796 1
1 48 . 4 1 1 A 5 5 SER N N 5 118.100 115.797 2.303 1
1 49 . 4 1 1 A 6 6 LYS H H 6 8.320 8.812 -0.492 1
1 50 . 4 1 1 A 6 6 LYS HA H 6 4.110 4.157 -0.047 1
1 59 . 4 1 1 A 6 6 LYS C C 6 176.000 174.797 1.203 1
1 60 . 4 1 1 A 6 6 LYS CA C 6 57.200 58.141 -0.941 1
1 61 . 4 1 1 A 6 6 LYS CB C 6 33.100 32.233 0.867 1
1 65 . 4 1 1 A 6 6 LYS N N 6 123.600 123.629 -0.029 1
1 66 . 4 1 1 A 7 7 TYR H H 7 8.000 7.422 0.578 1
1 67 . 4 1 1 A 7 7 TYR HA H 7 4.800 5.085 -0.285 1
1 74 . 4 1 1 A 7 7 TYR C C 7 175.800 172.805 2.995 1
1 75 . 4 1 1 A 7 7 TYR CA C 7 57.000 56.660 0.340 1
1 76 . 4 1 1 A 7 7 TYR CB C 7 39.900 41.224 -1.324 1
1 81 . 4 1 1 A 7 7 TYR N N 7 118.900 114.413 4.487 1
1 82 . 4 1 1 A 8 8 SER H H 8 8.770 8.880 -0.110 1
1 83 . 4 1 1 A 8 8 SER HA H 8 4.510 4.836 -0.326 1
1 86 . 4 1 1 A 8 8 SER C C 8 175.000 175.859 -0.859 1
1 87 . 4 1 1 A 8 8 SER CA C 8 57.500 56.536 0.964 1
1 88 . 4 1 1 A 8 8 SER CB C 8 64.700 64.996 -0.296 1
1 89 . 4 1 1 A 8 8 SER N N 8 118.600 117.853 0.747 1
1 90 . 4 1 1 A 9 9 ASN H H 9 8.910 9.269 -0.359 1
1 91 . 4 1 1 A 9 9 ASN HA H 9 4.540 4.465 0.075 1
1 96 . 4 1 1 A 9 9 ASN C C 9 177.200 177.643 -0.443 1
1 97 . 4 1 1 A 9 9 ASN CA C 9 55.900 56.047 -0.147 1
1 98 . 4 1 1 A 9 9 ASN CB C 9 38.200 37.378 0.822 1
1 100 . 4 1 1 A 9 9 ASN N N 9 121.400 124.350 -2.950 1
1 102 . 4 1 1 A 10 10 THR H H 10 8.180 7.642 0.538 1
1 103 . 4 1 1 A 10 10 THR HA H 10 4.070 3.893 0.177 1
1 108 . 4 1 1 A 10 10 THR C C 10 176.600 176.384 0.216 1
1 109 . 4 1 1 A 10 10 THR CA C 10 65.300 67.146 -1.846 1
1 110 . 4 1 1 A 10 10 THR CB C 10 68.800 68.419 0.381 1
1 112 . 4 1 1 A 10 10 THR N N 10 113.500 116.876 -3.376 1
1 113 . 4 1 1 A 11 11 GLN H H 11 7.950 8.182 -0.232 1
1 114 . 4 1 1 A 11 11 GLN HA H 11 4.160 3.980 0.180 1
1 121 . 4 1 1 A 11 11 GLN C C 11 178.400 178.340 0.060 1
1 122 . 4 1 1 A 11 11 GLN CA C 11 59.000 58.915 0.085 1
1 123 . 4 1 1 A 11 11 GLN CB C 11 29.200 28.593 0.607 1
1 126 . 4 1 1 A 11 11 GLN N N 11 122.500 121.460 1.040 1
1 128 . 4 1 1 A 12 12 VAL H H 12 7.850 8.503 -0.653 1
1 129 . 4 1 1 A 12 12 VAL HA H 12 3.540 3.481 0.059 1
1 137 . 4 1 1 A 12 12 VAL C C 12 177.400 177.901 -0.501 1
1 138 . 4 1 1 A 12 12 VAL CA C 12 66.400 67.072 -0.672 1
1 139 . 4 1 1 A 12 12 VAL CB C 12 32.300 31.506 0.794 1
1 142 . 4 1 1 A 12 12 VAL N N 12 119.000 119.735 -0.735 1
1 143 . 4 1 1 A 13 13 GLU H H 13 8.550 8.362 0.188 1
1 144 . 4 1 1 A 13 13 GLU HA H 13 3.910 3.886 0.024 1
1 149 . 4 1 1 A 13 13 GLU C C 13 179.500 178.381 1.119 1
1 150 . 4 1 1 A 13 13 GLU CA C 13 59.700 60.206 -0.506 1
1 151 . 4 1 1 A 13 13 GLU CB C 13 29.100 29.594 -0.494 1
1 153 . 4 1 1 A 13 13 GLU N N 13 118.300 120.409 -2.109 1
1 154 . 4 1 1 A 14 14 SER H H 14 8.080 7.694 0.386 1
1 155 . 4 1 1 A 14 14 SER HA H 14 4.260 4.226 0.034 1
1 158 . 4 1 1 A 14 14 SER C C 14 176.200 177.557 -1.357 1
1 159 . 4 1 1 A 14 14 SER CA C 14 61.700 61.394 0.306 1
1 160 . 4 1 1 A 14 14 SER CB C 14 62.800 62.970 -0.170 1
1 161 . 4 1 1 A 14 14 SER N N 14 114.600 114.518 0.082 1
1 162 . 4 1 1 A 15 15 LEU H H 15 7.110 8.176 -1.066 1
1 163 . 4 1 1 A 15 15 LEU HA H 15 3.690 3.946 -0.256 1
1 173 . 4 1 1 A 15 15 LEU C C 15 177.800 179.146 -1.346 1
1 174 . 4 1 1 A 15 15 LEU CA C 15 57.700 58.056 -0.356 1
1 175 . 4 1 1 A 15 15 LEU CB C 15 42.300 42.084 0.216 1
1 179 . 4 1 1 A 15 15 LEU N N 15 122.200 121.797 0.403 1
1 180 . 4 1 1 A 16 16 ILE H H 16 8.030 8.169 -0.139 1
1 181 . 4 1 1 A 16 16 ILE HA H 16 3.220 3.664 -0.444 1
1 191 . 4 1 1 A 16 16 ILE C C 16 177.200 177.815 -0.615 1
1 192 . 4 1 1 A 16 16 ILE CA C 16 66.000 65.996 0.004 1
1 193 . 4 1 1 A 16 16 ILE CB C 16 39.100 37.967 1.133 1
1 197 . 4 1 1 A 16 16 ILE N N 16 117.900 118.869 -0.969 1
1 198 . 4 1 1 A 17 17 ALA H H 17 7.960 8.605 -0.645 1
1 199 . 4 1 1 A 17 17 ALA HA H 17 3.930 3.983 -0.053 1
1 203 . 4 1 1 A 17 17 ALA C C 17 180.600 179.895 0.705 1
1 204 . 4 1 1 A 17 17 ALA CA C 17 55.400 56.019 -0.619 1
1 205 . 4 1 1 A 17 17 ALA CB C 17 18.000 18.613 -0.613 1
1 206 . 4 1 1 A 17 17 ALA N N 17 118.300 122.401 -4.101 1
1 207 . 4 1 1 A 18 18 GLU H H 18 7.630 7.761 -0.131 1
1 208 . 4 1 1 A 18 18 GLU HA H 18 4.030 3.945 0.085 1
1 213 . 4 1 1 A 18 18 GLU C C 18 179.400 179.552 -0.152 1
1 214 . 4 1 1 A 18 18 GLU CA C 18 59.800 59.570 0.230 1
1 215 . 4 1 1 A 18 18 GLU CB C 18 30.300 29.697 0.603 1
1 217 . 4 1 1 A 18 18 GLU N N 18 116.300 117.958 -1.658 1
1 218 . 4 1 1 A 19 19 ILE H H 19 8.110 7.476 0.634 1
1 219 . 4 1 1 A 19 19 ILE HA H 19 3.590 3.836 -0.246 1
1 229 . 4 1 1 A 19 19 ILE C C 19 177.800 177.982 -0.182 1
1 230 . 4 1 1 A 19 19 ILE CA C 19 66.500 64.329 2.171 1
1 231 . 4 1 1 A 19 19 ILE CB C 19 37.500 36.885 0.615 1
1 235 . 4 1 1 A 19 19 ILE N N 19 121.100 117.464 3.636 1
1 236 . 4 1 1 A 20 20 LEU H H 20 8.480 7.902 0.578 1
1 237 . 4 1 1 A 20 20 LEU HA H 20 4.020 4.102 -0.082 1
1 247 . 4 1 1 A 20 20 LEU C C 20 180.500 178.899 1.601 1
1 248 . 4 1 1 A 20 20 LEU CA C 20 58.600 57.931 0.669 1
1 249 . 4 1 1 A 20 20 LEU CB C 20 40.400 41.690 -1.290 1
1 253 . 4 1 1 A 20 20 LEU N N 20 118.300 121.437 -3.137 1
1 254 . 4 1 1 A 21 21 VAL H H 21 7.810 7.940 -0.130 1
1 255 . 4 1 1 A 21 21 VAL HA H 21 3.770 3.672 0.098 1
1 263 . 4 1 1 A 21 21 VAL C C 21 178.200 178.405 -0.205 1
1 264 . 4 1 1 A 21 21 VAL CA C 21 66.800 66.821 -0.021 1
1 265 . 4 1 1 A 21 21 VAL CB C 21 31.600 31.481 0.119 1
1 268 . 4 1 1 A 21 21 VAL N N 21 119.700 118.812 0.888 1
1 269 . 4 1 1 A 22 22 VAL H H 22 7.530 8.015 -0.485 1
1 270 . 4 1 1 A 22 22 VAL HA H 22 3.610 3.558 0.052 1
1 278 . 4 1 1 A 22 22 VAL C C 22 178.500 178.041 0.459 1
1 279 . 4 1 1 A 22 22 VAL CA C 22 67.300 67.003 0.297 1
1 280 . 4 1 1 A 22 22 VAL CB C 22 31.500 31.352 0.148 1
1 283 . 4 1 1 A 22 22 VAL N N 22 121.400 120.374 1.026 1
1 284 . 4 1 1 A 23 23 LEU H H 23 7.610 7.997 -0.387 1
1 285 . 4 1 1 A 23 23 LEU HA H 23 3.880 3.879 0.001 1
1 295 . 4 1 1 A 23 23 LEU C C 23 179.700 179.531 0.169 1
1 296 . 4 1 1 A 23 23 LEU CA C 23 58.400 58.529 -0.129 1
1 297 . 4 1 1 A 23 23 LEU CB C 23 40.900 41.672 -0.772 1
1 301 . 4 1 1 A 23 23 LEU N N 23 116.800 119.934 -3.134 1
1 302 . 4 1 1 A 24 24 GLU H H 24 8.160 8.157 0.003 1
1 303 . 4 1 1 A 24 24 GLU HA H 24 4.170 3.963 0.207 1
1 308 . 4 1 1 A 24 24 GLU C C 24 180.900 179.524 1.376 1
1 309 . 4 1 1 A 24 24 GLU CA C 24 59.000 59.598 -0.598 1
1 310 . 4 1 1 A 24 24 GLU CB C 24 29.700 29.359 0.341 1
1 312 . 4 1 1 A 24 24 GLU N N 24 119.200 117.619 1.581 1
1 313 . 4 1 1 A 25 25 LYS H H 25 8.980 8.015 0.965 1
1 314 . 4 1 1 A 25 25 LYS HA H 25 4.050 4.080 -0.030 1
1 323 . 4 1 1 A 25 25 LYS C C 25 178.600 177.872 0.728 1
1 324 . 4 1 1 A 25 25 LYS CA C 25 59.300 58.562 0.738 1
1 325 . 4 1 1 A 25 25 LYS CB C 25 32.100 32.139 -0.039 1
1 329 . 4 1 1 A 25 25 LYS N N 25 122.900 120.408 2.492 1
1 330 . 4 1 1 A 26 26 HIS H H 26 7.400 7.425 -0.025 1
1 331 . 4 1 1 A 26 26 HIS HA H 26 4.460 4.605 -0.145 1
1 336 . 4 1 1 A 26 26 HIS C C 26 173.600 174.191 -0.591 1
1 337 . 4 1 1 A 26 26 HIS CA C 26 56.500 55.632 0.868 1
1 338 . 4 1 1 A 26 26 HIS CB C 26 29.200 30.193 -0.993 1
1 341 . 4 1 1 A 26 26 HIS N N 26 113.800 115.360 -1.560 1
1 342 . 4 1 1 A 27 27 LYS H H 27 8.200 7.859 0.341 1
1 343 . 4 1 1 A 27 27 LYS HA H 27 3.950 3.757 0.193 1
1 352 . 4 1 1 A 27 27 LYS C C 27 176.500 175.638 0.862 1
1 353 . 4 1 1 A 27 27 LYS CA C 27 56.600 57.255 -0.655 1
1 354 . 4 1 1 A 27 27 LYS CB C 27 29.600 29.548 0.052 1
1 358 . 4 1 1 A 27 27 LYS N N 27 119.500 115.719 3.781 1
1 359 . 4 1 1 A 28 28 ALA H H 28 7.760 7.680 0.080 1
1 360 . 4 1 1 A 28 28 ALA HA H 28 4.490 4.388 0.102 1
1 364 . 4 1 1 A 28 28 ALA CA C 28 51.000 50.506 0.494 1
1 365 . 4 1 1 A 28 28 ALA CB C 28 19.200 19.714 -0.514 1
1 366 . 4 1 1 A 28 28 ALA N N 28 121.500 121.250 0.250 1
1 367 . 4 1 1 A 29 29 PRO HA H 29 4.720 4.560 0.160 1
1 374 . 4 1 1 A 29 29 PRO C C 29 177.400 177.651 -0.251 1
1 375 . 4 1 1 A 29 29 PRO CA C 29 62.100 62.576 -0.476 1
1 376 . 4 1 1 A 29 29 PRO CB C 29 33.000 32.590 0.410 1
1 379 . 4 1 1 A 30 30 THR H H 30 8.830 8.374 0.456 1
1 380 . 4 1 1 A 30 30 THR HA H 30 3.680 3.902 -0.222 1
1 385 . 4 1 1 A 30 30 THR C C 30 175.200 175.928 -0.728 1
1 386 . 4 1 1 A 30 30 THR CA C 30 67.400 65.772 1.628 1
1 387 . 4 1 1 A 30 30 THR CB C 30 68.500 68.799 -0.299 1
1 389 . 4 1 1 A 30 30 THR N N 30 120.400 118.453 1.947 1
1 390 . 4 1 1 A 31 31 ASP H H 31 8.880 8.255 0.625 1
1 391 . 4 1 1 A 31 31 ASP HA H 31 4.220 4.264 -0.044 1
1 394 . 4 1 1 A 31 31 ASP C C 31 179.000 178.493 0.507 1
1 395 . 4 1 1 A 31 31 ASP CA C 31 57.400 57.698 -0.298 1
1 396 . 4 1 1 A 31 31 ASP CB C 31 38.700 41.467 -2.767 1
1 397 . 4 1 1 A 31 31 ASP N N 31 118.600 121.258 -2.658 1
1 398 . 4 1 1 A 32 32 LEU H H 32 7.540 7.795 -0.255 1
1 399 . 4 1 1 A 32 32 LEU HA H 32 3.970 4.117 -0.147 1
1 409 . 4 1 1 A 32 32 LEU C C 32 178.100 178.619 -0.519 1
1 410 . 4 1 1 A 32 32 LEU CA C 32 57.500 57.363 0.137 1
1 411 . 4 1 1 A 32 32 LEU CB C 32 40.600 41.612 -1.012 1
1 415 . 4 1 1 A 32 32 LEU N N 32 124.300 120.864 3.436 1
1 416 . 4 1 1 A 33 33 SER H H 33 8.420 8.570 -0.150 1
1 417 . 4 1 1 A 33 33 SER HA H 33 3.860 4.222 -0.362 1
1 420 . 4 1 1 A 33 33 SER C C 33 175.900 177.653 -1.753 1
1 421 . 4 1 1 A 33 33 SER CA C 33 63.100 61.350 1.750 1
1 422 . 4 1 1 A 33 33 SER CB C 33 62.900 62.892 0.008 1
1 423 . 4 1 1 A 33 33 SER N N 33 116.000 114.877 1.123 1
1 424 . 4 1 1 A 34 34 LEU H H 34 8.400 8.539 -0.139 1
1 425 . 4 1 1 A 34 34 LEU HA H 34 4.010 4.031 -0.021 1
1 435 . 4 1 1 A 34 34 LEU C C 34 179.500 179.033 0.467 1
1 436 . 4 1 1 A 34 34 LEU CA C 34 58.700 57.852 0.848 1
1 437 . 4 1 1 A 34 34 LEU CB C 34 41.500 41.310 0.190 1
1 441 . 4 1 1 A 34 34 LEU N N 34 120.400 121.924 -1.524 1
1 442 . 4 1 1 A 35 35 MET H H 35 7.970 8.236 -0.266 1
1 443 . 4 1 1 A 35 35 MET HA H 35 4.210 4.240 -0.030 1
1 451 . 4 1 1 A 35 35 MET C C 35 178.900 177.882 1.018 1
1 452 . 4 1 1 A 35 35 MET CA C 35 59.100 58.650 0.450 1
1 453 . 4 1 1 A 35 35 MET CB C 35 33.100 32.230 0.870 1
1 456 . 4 1 1 A 35 35 MET N N 35 120.300 118.633 1.667 1
1 457 . 4 1 1 A 36 36 ALA H H 36 8.710 8.158 0.552 1
1 458 . 4 1 1 A 36 36 ALA HA H 36 3.900 4.018 -0.118 1
1 462 . 4 1 1 A 36 36 ALA C C 36 179.700 179.717 -0.017 1
1 463 . 4 1 1 A 36 36 ALA CA C 36 55.400 55.119 0.281 1
1 464 . 4 1 1 A 36 36 ALA CB C 36 18.600 18.572 0.028 1
1 465 . 4 1 1 A 36 36 ALA N N 36 121.700 121.542 0.158 1
1 466 . 4 1 1 A 37 37 LEU H H 37 8.750 8.355 0.395 1
1 467 . 4 1 1 A 37 37 LEU HA H 37 3.980 3.945 0.035 1
1 477 . 4 1 1 A 37 37 LEU C C 37 179.600 179.223 0.377 1
1 478 . 4 1 1 A 37 37 LEU CA C 37 59.000 58.179 0.821 1
1 479 . 4 1 1 A 37 37 LEU CB C 37 42.000 42.113 -0.113 1
1 483 . 4 1 1 A 37 37 LEU N N 37 118.100 118.166 -0.066 1
1 484 . 4 1 1 A 38 38 GLY H H 38 8.780 8.495 0.285 1
1 485 . 4 1 1 A 38 38 GLY HA2 H 38 3.650 3.722 -0.072 1
1 486 . 4 1 1 A 38 38 GLY HA3 H 38 3.940 3.749 0.191 1
1 487 . 4 1 1 A 38 38 GLY C C 38 175.600 175.875 -0.275 1
1 488 . 4 1 1 A 38 38 GLY CA C 38 48.300 47.390 0.910 1
1 489 . 4 1 1 A 38 38 GLY N N 38 105.600 105.109 0.491 1
1 490 . 4 1 1 A 39 39 ASN H H 39 8.180 8.475 -0.295 1
1 491 . 4 1 1 A 39 39 ASN HA H 39 4.550 4.434 0.116 1
1 496 . 4 1 1 A 39 39 ASN C C 39 178.400 177.518 0.882 1
1 497 . 4 1 1 A 39 39 ASN CA C 39 56.000 56.459 -0.459 1
1 498 . 4 1 1 A 39 39 ASN CB C 39 39.200 39.031 0.169 1
1 500 . 4 1 1 A 39 39 ASN N N 39 120.000 119.319 0.681 1
1 502 . 4 1 1 A 40 40 CYS H H 40 8.420 8.200 0.220 1
1 503 . 4 1 1 A 40 40 CYS HA H 40 4.010 4.142 -0.132 1
1 506 . 4 1 1 A 40 40 CYS C C 40 176.000 177.021 -1.021 1
1 507 . 4 1 1 A 40 40 CYS CA C 40 65.300 63.704 1.596 1
1 508 . 4 1 1 A 40 40 CYS CB C 40 27.200 26.441 0.759 1
1 509 . 4 1 1 A 40 40 CYS N N 40 120.200 117.793 2.407 1
1 510 . 4 1 1 A 41 41 VAL H H 41 7.830 8.059 -0.229 1
1 511 . 4 1 1 A 41 41 VAL HA H 41 3.250 3.451 -0.201 1
1 519 . 4 1 1 A 41 41 VAL C C 41 177.500 177.996 -0.496 1
1 520 . 4 1 1 A 41 41 VAL CA C 41 67.500 66.849 0.651 1
1 521 . 4 1 1 A 41 41 VAL CB C 41 30.800 31.552 -0.752 1
1 524 . 4 1 1 A 41 41 VAL N N 41 119.400 120.697 -1.297 1
1 525 . 4 1 1 A 42 42 THR H H 42 8.270 7.995 0.275 1
1 526 . 4 1 1 A 42 42 THR HA H 42 3.520 3.798 -0.278 1
1 531 . 4 1 1 A 42 42 THR C C 42 176.200 176.350 -0.150 1
1 532 . 4 1 1 A 42 42 THR CA C 42 67.800 66.275 1.525 1
1 533 . 4 1 1 A 42 42 THR CB C 42 67.800 68.400 -0.600 1
1 535 . 4 1 1 A 42 42 THR N N 42 113.600 115.838 -2.238 1
1 536 . 4 1 1 A 43 43 HIS H H 43 8.250 7.928 0.322 1
1 537 . 4 1 1 A 43 43 HIS HA H 43 4.310 4.281 0.029 1
1 542 . 4 1 1 A 43 43 HIS C C 43 177.200 176.853 0.347 1
1 543 . 4 1 1 A 43 43 HIS CA C 43 59.300 59.999 -0.699 1
1 544 . 4 1 1 A 43 43 HIS CB C 43 28.900 29.787 -0.887 1
1 547 . 4 1 1 A 43 43 HIS N N 43 120.000 122.400 -2.400 1
1 550 . 4 1 1 A 44 44 LEU H H 44 8.070 8.296 -0.226 1
1 551 . 4 1 1 A 44 44 LEU HA H 44 3.960 3.829 0.131 1
1 561 . 4 1 1 A 44 44 LEU C C 44 179.300 179.431 -0.131 1
1 562 . 4 1 1 A 44 44 LEU CA C 44 58.400 57.585 0.815 1
1 563 . 4 1 1 A 44 44 LEU CB C 44 42.200 41.375 0.825 1
1 567 . 4 1 1 A 44 44 LEU N N 44 119.400 119.665 -0.265 1
1 568 . 4 1 1 A 45 45 LEU H H 45 8.410 7.741 0.669 1
1 569 . 4 1 1 A 45 45 LEU HA H 45 3.850 3.900 -0.050 1
1 579 . 4 1 1 A 45 45 LEU C C 45 178.700 179.320 -0.620 1
1 580 . 4 1 1 A 45 45 LEU CA C 45 58.200 58.176 0.024 1
1 581 . 4 1 1 A 45 45 LEU CB C 45 41.800 41.215 0.585 1
1 585 . 4 1 1 A 45 45 LEU N N 45 118.100 119.853 -1.753 1
1 586 . 4 1 1 A 46 46 GLU H H 46 8.120 7.697 0.423 1
1 587 . 4 1 1 A 46 46 GLU HA H 46 3.740 3.966 -0.226 1
1 592 . 4 1 1 A 46 46 GLU C C 46 178.000 178.112 -0.112 1
1 593 . 4 1 1 A 46 46 GLU CA C 46 58.900 59.339 -0.439 1
1 594 . 4 1 1 A 46 46 GLU CB C 46 29.700 29.551 0.149 1
1 596 . 4 1 1 A 46 46 GLU N N 46 115.000 118.495 -3.495 1
1 597 . 4 1 1 A 47 47 ARG H H 47 7.740 7.732 0.008 1
1 598 . 4 1 1 A 47 47 ARG HA H 47 4.270 4.308 -0.038 1
1 606 . 4 1 1 A 47 47 ARG C C 47 178.500 177.189 1.311 1
1 607 . 4 1 1 A 47 47 ARG CA C 47 57.000 56.525 0.475 1
1 608 . 4 1 1 A 47 47 ARG CB C 47 31.600 30.588 1.012 1
1 611 . 4 1 1 A 47 47 ARG N N 47 114.000 116.176 -2.176 1
1 613 . 4 1 1 A 48 48 LYS H H 48 8.210 7.723 0.487 1
1 614 . 4 1 1 A 48 48 LYS HA H 48 4.620 4.494 0.126 1
1 623 . 4 1 1 A 48 48 LYS C C 48 176.400 175.188 1.212 1
1 624 . 4 1 1 A 48 48 LYS CA C 48 55.500 55.737 -0.237 1
1 625 . 4 1 1 A 48 48 LYS CB C 48 34.500 34.426 0.074 1
1 629 . 4 1 1 A 48 48 LYS N N 48 114.000 116.490 -2.490 1
1 630 . 4 1 1 A 49 49 VAL H H 49 7.630 7.192 0.438 1
1 631 . 4 1 1 A 49 49 VAL HA H 49 4.710 4.521 0.189 1
1 639 . 4 1 1 A 49 49 VAL CA C 49 59.400 58.511 0.889 1
1 640 . 4 1 1 A 49 49 VAL CB C 49 33.600 35.003 -1.403 1
1 643 . 4 1 1 A 49 49 VAL N N 49 121.800 118.836 2.964 1
1 644 . 4 1 1 A 50 50 PRO HA H 50 4.460 4.540 -0.080 1
1 651 . 4 1 1 A 50 50 PRO C C 50 177.900 177.617 0.283 1
1 652 . 4 1 1 A 50 50 PRO CA C 50 63.200 62.878 0.322 1
1 653 . 4 1 1 A 50 50 PRO CB C 50 32.900 32.736 0.164 1
1 656 . 4 1 1 A 51 51 SER H H 51 8.950 8.709 0.241 1
1 657 . 4 1 1 A 51 51 SER HA H 51 3.910 4.040 -0.130 1
1 660 . 4 1 1 A 51 51 SER C C 51 176.300 176.909 -0.609 1
1 661 . 4 1 1 A 51 51 SER CA C 51 62.800 61.303 1.497 1
1 662 . 4 1 1 A 51 51 SER CB C 51 62.700 62.610 0.090 1
1 663 . 4 1 1 A 51 51 SER N N 51 119.000 119.697 -0.697 1
1 664 . 4 1 1 A 52 52 GLU H H 52 9.480 8.226 1.254 1
1 665 . 4 1 1 A 52 52 GLU HA H 52 4.220 4.077 0.143 1
1 670 . 4 1 1 A 52 52 GLU C C 52 177.000 177.930 -0.930 1
1 671 . 4 1 1 A 52 52 GLU CA C 52 59.200 59.025 0.175 1
1 672 . 4 1 1 A 52 52 GLU CB C 52 28.700 29.503 -0.803 1
1 674 . 4 1 1 A 52 52 GLU N N 52 118.900 123.125 -4.225 1
1 675 . 4 1 1 A 53 53 SER H H 53 7.770 7.915 -0.145 1
1 676 . 4 1 1 A 53 53 SER HA H 53 4.940 4.451 0.489 1
1 679 . 4 1 1 A 53 53 SER C C 53 174.200 176.130 -1.930 1
1 680 . 4 1 1 A 53 53 SER CA C 53 58.200 60.411 -2.211 1
1 681 . 4 1 1 A 53 53 SER CB C 53 64.800 63.825 0.975 1
1 682 . 4 1 1 A 53 53 SER N N 53 112.500 116.832 -4.332 1
1 683 . 4 1 1 A 54 54 ARG H H 54 7.380 8.123 -0.743 1
1 684 . 4 1 1 A 54 54 ARG HA H 54 3.630 4.001 -0.371 1
1 696 . 4 1 1 A 54 54 ARG C C 54 177.200 179.191 -1.991 1
1 697 . 4 1 1 A 54 54 ARG CA C 54 61.400 59.840 1.560 1
1 698 . 4 1 1 A 54 54 ARG CB C 54 31.200 30.015 1.185 1
1 701 . 4 1 1 A 54 54 ARG N N 54 122.100 122.346 -0.246 1
1 703 . 4 1 1 A 55 55 GLN H H 55 9.010 8.236 0.774 1
1 704 . 4 1 1 A 55 55 GLN HA H 55 3.840 4.037 -0.197 1
1 711 . 4 1 1 A 55 55 GLN C C 55 178.000 178.491 -0.491 1
1 712 . 4 1 1 A 55 55 GLN CA C 55 59.700 58.674 1.026 1
1 713 . 4 1 1 A 55 55 GLN CB C 55 28.100 28.360 -0.260 1
1 716 . 4 1 1 A 55 55 GLN N N 55 118.000 118.943 -0.943 1
1 718 . 4 1 1 A 56 56 ALA H H 56 8.280 7.767 0.513 1
1 719 . 4 1 1 A 56 56 ALA HA H 56 4.190 4.109 0.081 1
1 723 . 4 1 1 A 56 56 ALA C C 56 181.200 179.971 1.229 1
1 724 . 4 1 1 A 56 56 ALA CA C 56 55.200 55.042 0.158 1
1 725 . 4 1 1 A 56 56 ALA CB C 56 17.900 18.188 -0.288 1
1 726 . 4 1 1 A 56 56 ALA N N 56 122.300 122.934 -0.634 1
1 727 . 4 1 1 A 57 57 VAL H H 57 8.150 8.395 -0.245 1
1 728 . 4 1 1 A 57 57 VAL HA H 57 3.740 3.626 0.114 1
1 736 . 4 1 1 A 57 57 VAL C C 57 178.900 178.167 0.733 1
1 737 . 4 1 1 A 57 57 VAL CA C 57 66.700 66.523 0.177 1
1 738 . 4 1 1 A 57 57 VAL CB C 57 31.700 31.525 0.175 1
1 741 . 4 1 1 A 57 57 VAL N N 57 119.600 118.313 1.287 1
1 742 . 4 1 1 A 58 58 ALA H H 58 8.370 8.366 0.004 1
1 743 . 4 1 1 A 58 58 ALA HA H 58 3.910 3.957 -0.047 1
1 747 . 4 1 1 A 58 58 ALA C C 58 179.500 179.353 0.147 1
1 748 . 4 1 1 A 58 58 ALA CA C 58 55.800 55.814 -0.014 1
1 749 . 4 1 1 A 58 58 ALA CB C 58 18.500 18.386 0.114 1
1 750 . 4 1 1 A 58 58 ALA N N 58 123.000 121.983 1.017 1
1 751 . 4 1 1 A 59 59 GLU H H 59 8.630 8.046 0.584 1
1 752 . 4 1 1 A 59 59 GLU HA H 59 4.100 4.089 0.011 1
1 757 . 4 1 1 A 59 59 GLU C C 59 179.400 178.859 0.541 1
1 758 . 4 1 1 A 59 59 GLU CA C 59 59.600 59.554 0.046 1
1 759 . 4 1 1 A 59 59 GLU CB C 59 29.300 29.270 0.030 1
1 761 . 4 1 1 A 59 59 GLU N N 59 118.400 118.756 -0.356 1
1 762 . 4 1 1 A 60 60 GLN H H 60 8.280 8.682 -0.402 1
1 763 . 4 1 1 A 60 60 GLN HA H 60 4.090 4.088 0.002 1
1 770 . 4 1 1 A 60 60 GLN C C 60 178.700 178.557 0.143 1
1 771 . 4 1 1 A 60 60 GLN CA C 60 59.100 58.982 0.118 1
1 772 . 4 1 1 A 60 60 GLN CB C 60 28.100 28.218 -0.118 1
1 775 . 4 1 1 A 60 60 GLN N N 60 120.400 118.556 1.844 1
1 777 . 4 1 1 A 61 61 PHE H H 61 8.400 8.937 -0.537 1
1 778 . 4 1 1 A 61 61 PHE HA H 61 4.160 4.289 -0.129 1
1 786 . 4 1 1 A 61 61 PHE C C 61 177.600 177.434 0.166 1
1 787 . 4 1 1 A 61 61 PHE CA C 61 61.400 61.662 -0.262 1
1 788 . 4 1 1 A 61 61 PHE CB C 61 39.100 39.182 -0.082 1
1 794 . 4 1 1 A 61 61 PHE N N 61 122.000 121.612 0.388 1
1 795 . 4 1 1 A 62 62 ALA H H 62 8.620 8.438 0.182 1
1 796 . 4 1 1 A 62 62 ALA HA H 62 3.980 4.076 -0.096 1
1 800 . 4 1 1 A 62 62 ALA C C 62 179.700 179.874 -0.174 1
1 801 . 4 1 1 A 62 62 ALA CA C 62 55.500 55.533 -0.033 1
1 802 . 4 1 1 A 62 62 ALA CB C 62 18.900 18.130 0.770 1
1 803 . 4 1 1 A 62 62 ALA N N 62 122.000 121.624 0.376 1
1 804 . 4 1 1 A 63 63 LYS H H 63 8.470 8.459 0.011 1
1 805 . 4 1 1 A 63 63 LYS HA H 63 4.050 3.961 0.089 1
1 814 . 4 1 1 A 63 63 LYS C C 63 179.200 179.123 0.077 1
1 815 . 4 1 1 A 63 63 LYS CA C 63 59.600 59.261 0.339 1
1 816 . 4 1 1 A 63 63 LYS CB C 63 32.600 32.360 0.240 1
1 820 . 4 1 1 A 63 63 LYS N N 63 119.500 116.905 2.595 1
1 821 . 4 1 1 A 64 64 ALA H H 64 8.000 8.109 -0.109 1
1 822 . 4 1 1 A 64 64 ALA HA H 64 4.100 3.992 0.108 1
1 826 . 4 1 1 A 64 64 ALA C C 64 180.700 179.794 0.906 1
1 827 . 4 1 1 A 64 64 ALA CA C 64 55.000 54.843 0.157 1
1 828 . 4 1 1 A 64 64 ALA CB C 64 17.700 17.932 -0.232 1
1 829 . 4 1 1 A 64 64 ALA N N 64 122.000 121.934 0.066 1
1 830 . 4 1 1 A 65 65 LEU H H 65 7.830 8.177 -0.347 1
1 831 . 4 1 1 A 65 65 LEU HA H 65 3.950 3.897 0.053 1
1 841 . 4 1 1 A 65 65 LEU C C 65 178.900 178.300 0.600 1
1 842 . 4 1 1 A 65 65 LEU CA C 65 57.800 57.711 0.089 1
1 843 . 4 1 1 A 65 65 LEU CB C 65 41.700 41.829 -0.129 1
1 847 . 4 1 1 A 65 65 LEU N N 65 120.600 120.205 0.395 1
1 848 . 4 1 1 A 66 66 ALA H H 66 7.990 8.727 -0.737 1
1 849 . 4 1 1 A 66 66 ALA HA H 66 3.840 3.975 -0.135 1
1 853 . 4 1 1 A 66 66 ALA C C 66 180.300 178.882 1.418 1
1 854 . 4 1 1 A 66 66 ALA CA C 66 55.500 55.167 0.333 1
1 855 . 4 1 1 A 66 66 ALA CB C 66 17.900 18.149 -0.249 1
1 856 . 4 1 1 A 66 66 ALA N N 66 120.900 120.806 0.094 1
1 857 . 4 1 1 A 67 67 GLN H H 67 8.140 8.579 -0.439 1
1 858 . 4 1 1 A 67 67 GLN HA H 67 4.070 4.031 0.039 1
1 865 . 4 1 1 A 67 67 GLN C C 67 178.400 178.386 0.014 1
1 866 . 4 1 1 A 67 67 GLN CA C 67 58.300 58.296 0.004 1
1 867 . 4 1 1 A 67 67 GLN CB C 67 28.400 28.718 -0.318 1
1 870 . 4 1 1 A 67 67 GLN N N 67 116.600 118.738 -2.138 1
1 872 . 4 1 1 A 68 68 SER H H 68 8.120 8.159 -0.039 1
1 873 . 4 1 1 A 68 68 SER HA H 68 4.220 4.077 0.143 1
1 876 . 4 1 1 A 68 68 SER C C 68 176.500 176.445 0.055 1
1 877 . 4 1 1 A 68 68 SER CA C 68 61.500 62.618 -1.118 1
1 878 . 4 1 1 A 68 68 SER CB C 68 63.000 63.015 -0.015 1
1 879 . 4 1 1 A 68 68 SER N N 68 116.700 116.680 0.020 1
1 880 . 4 1 1 A 69 69 VAL H H 69 7.660 7.569 0.091 1
1 881 . 4 1 1 A 69 69 VAL HA H 69 3.860 3.589 0.271 1
1 889 . 4 1 1 A 69 69 VAL C C 69 177.400 178.121 -0.721 1
1 890 . 4 1 1 A 69 69 VAL CA C 69 64.900 66.333 -1.433 1
1 891 . 4 1 1 A 69 69 VAL CB C 69 31.900 31.591 0.309 1
1 894 . 4 1 1 A 69 69 VAL N N 69 119.800 121.465 -1.665 1
1 895 . 4 1 1 A 70 70 LYS H H 70 7.860 8.382 -0.522 1
1 896 . 4 1 1 A 70 70 LYS HA H 70 4.040 4.114 -0.074 1
1 905 . 4 1 1 A 70 70 LYS C C 70 178.400 179.160 -0.760 1
1 906 . 4 1 1 A 70 70 LYS CA C 70 59.200 59.260 -0.060 1
1 907 . 4 1 1 A 70 70 LYS CB C 70 32.800 32.367 0.433 1
1 911 . 4 1 1 A 70 70 LYS N N 70 121.300 119.882 1.418 1
1 912 . 4 1 1 A 71 71 SER H H 71 8.390 8.907 -0.517 1
1 913 . 4 1 1 A 71 71 SER HA H 71 4.280 4.385 -0.105 1
1 916 . 4 1 1 A 71 71 SER C C 71 176.000 176.940 -0.940 1
1 917 . 4 1 1 A 71 71 SER CA C 71 60.700 60.242 0.458 1
1 918 . 4 1 1 A 71 71 SER CB C 71 63.300 62.968 0.332 1
1 919 . 4 1 1 A 71 71 SER N N 71 114.400 115.247 -0.847 1
1 920 . 4 1 1 A 72 72 ASN H H 72 7.940 8.236 -0.296 1
1 921 . 4 1 1 A 72 72 ASN HA H 72 4.630 4.511 0.119 1
1 926 . 4 1 1 A 72 72 ASN C C 72 176.700 177.691 -0.991 1
1 927 . 4 1 1 A 72 72 ASN CA C 72 55.000 56.288 -1.288 1
1 928 . 4 1 1 A 72 72 ASN CB C 72 39.000 39.089 -0.089 1
1 930 . 4 1 1 A 72 72 ASN N N 72 119.700 120.903 -1.203 1
1 932 . 4 1 1 A 73 73 LEU H H 73 7.900 7.915 -0.015 1
1 933 . 4 1 1 A 73 73 LEU HA H 73 4.180 4.047 0.133 1
1 943 . 4 1 1 A 73 73 LEU C C 73 178.400 177.426 0.974 1
1 944 . 4 1 1 A 73 73 LEU CA C 73 56.700 58.002 -1.302 1
1 945 . 4 1 1 A 73 73 LEU CB C 73 42.300 41.983 0.317 1
1 949 . 4 1 1 A 73 73 LEU N N 73 121.000 120.909 0.091 1
1 950 . 4 1 1 A 74 74 GLU H H 74 8.060 8.121 -0.061 1
1 951 . 4 1 1 A 74 74 GLU HA H 74 4.120 4.306 -0.186 1
1 956 . 4 1 1 A 74 74 GLU C C 74 177.100 176.207 0.893 1
1 957 . 4 1 1 A 74 74 GLU CA C 74 57.400 57.761 -0.361 1
1 958 . 4 1 1 A 74 74 GLU CB C 74 29.900 29.426 0.474 1
1 960 . 4 1 1 A 74 74 GLU N N 74 119.300 119.534 -0.234 1
1 961 . 4 1 1 A 75 75 HIS H H 75 8.140 8.953 -0.813 1
1 962 . 4 1 1 A 75 75 HIS HA H 75 4.590 4.596 -0.006 1
1 966 . 4 1 1 A 75 75 HIS C C 75 174.900 174.878 0.022 1
1 967 . 4 1 1 A 75 75 HIS CA C 75 56.100 57.112 -1.012 1
1 968 . 4 1 1 A 75 75 HIS CB C 75 29.000 29.166 -0.166 1
1 970 . 4 1 1 A 75 75 HIS N N 75 117.500 119.881 -2.381 1
1 971 . 4 1 1 A 76 76 HIS H H 76 8.240 8.580 -0.340 1
1 972 . 4 1 1 A 76 76 HIS C C 76 174.500 175.383 -0.883 1
1 973 . 4 1 1 A 76 76 HIS CA C 76 55.900 57.115 -1.215 1
1 974 . 4 1 1 A 76 76 HIS CB C 76 29.300 29.489 -0.189 1
1 975 . 4 1 1 A 76 76 HIS N N 76 118.300 117.155 1.145 1
1 976 . 4 1 1 A 77 77 HIS H H 77 8.400 8.086 0.314 1
1 977 . 4 1 1 A 77 77 HIS HA H 77 4.640 4.219 0.421 1
1 980 . 4 1 1 A 77 77 HIS C C 77 173.700 175.483 -1.783 1
1 981 . 4 1 1 A 77 77 HIS CA C 77 55.700 58.779 -3.079 1
1 982 . 4 1 1 A 77 77 HIS CB C 77 29.700 30.936 -1.236 1
1 983 . 4 1 1 A 77 77 HIS N N 77 119.300 119.175 0.125 1
1 984 . 4 1 1 A 78 78 HIS H H 78 8.330 7.901 0.429 1
1 985 . 4 1 1 A 78 78 HIS CA C 78 57.200 54.631 2.569 1
1 986 . 4 1 1 A 78 78 HIS CB C 78 29.900 29.035 0.865 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 4.140 4.139 0.001 1
1 5 . 5 1 1 A 2 2 ALA C C 2 173.800 177.744 -3.944 1
1 6 . 5 1 1 A 2 2 ALA CA C 2 51.800 53.920 -2.120 1
1 7 . 5 1 1 A 2 2 ALA CB C 2 19.600 18.183 1.417 1
1 8 . 5 1 1 A 3 3 ILE H H 3 8.540 8.723 -0.183 1
1 9 . 5 1 1 A 3 3 ILE HA H 3 4.190 3.900 0.290 1
1 19 . 5 1 1 A 3 3 ILE C C 3 176.000 177.571 -1.571 1
1 20 . 5 1 1 A 3 3 ILE CA C 3 61.300 63.958 -2.658 1
1 21 . 5 1 1 A 3 3 ILE CB C 3 38.800 37.197 1.603 1
1 25 . 5 1 1 A 3 3 ILE N N 3 120.500 122.212 -1.712 1
1 26 . 5 1 1 A 4 4 GLN H H 4 8.570 7.865 0.705 1
1 27 . 5 1 1 A 4 4 GLN HA H 4 4.400 4.078 0.322 1
1 34 . 5 1 1 A 4 4 GLN C C 4 175.700 176.582 -0.882 1
1 35 . 5 1 1 A 4 4 GLN CA C 4 55.800 58.615 -2.815 1
1 36 . 5 1 1 A 4 4 GLN CB C 4 29.600 28.803 0.797 1
1 39 . 5 1 1 A 4 4 GLN N N 4 125.100 121.082 4.018 1
1 41 . 5 1 1 A 5 5 SER H H 5 8.440 8.008 0.432 1
1 42 . 5 1 1 A 5 5 SER HA H 5 4.420 4.384 0.036 1
1 45 . 5 1 1 A 5 5 SER C C 5 174.300 174.221 0.079 1
1 46 . 5 1 1 A 5 5 SER CA C 5 58.200 58.596 -0.396 1
1 47 . 5 1 1 A 5 5 SER CB C 5 64.000 62.667 1.333 1
1 48 . 5 1 1 A 5 5 SER N N 5 118.100 114.420 3.680 1
1 49 . 5 1 1 A 6 6 LYS H H 6 8.320 8.389 -0.069 1
1 50 . 5 1 1 A 6 6 LYS HA H 6 4.110 4.494 -0.384 1
1 59 . 5 1 1 A 6 6 LYS C C 6 176.000 175.337 0.663 1
1 60 . 5 1 1 A 6 6 LYS CA C 6 57.200 57.847 -0.647 1
1 61 . 5 1 1 A 6 6 LYS CB C 6 33.100 35.226 -2.126 1
1 65 . 5 1 1 A 6 6 LYS N N 6 123.600 123.074 0.526 1
1 66 . 5 1 1 A 7 7 TYR H H 7 8.000 7.823 0.177 1
1 67 . 5 1 1 A 7 7 TYR HA H 7 4.800 4.986 -0.186 1
1 74 . 5 1 1 A 7 7 TYR C C 7 175.800 175.010 0.790 1
1 75 . 5 1 1 A 7 7 TYR CA C 7 57.000 55.927 1.073 1
1 76 . 5 1 1 A 7 7 TYR CB C 7 39.900 40.576 -0.676 1
1 81 . 5 1 1 A 7 7 TYR N N 7 118.900 116.129 2.771 1
1 82 . 5 1 1 A 8 8 SER H H 8 8.770 8.646 0.124 1
1 83 . 5 1 1 A 8 8 SER HA H 8 4.510 4.675 -0.165 1
1 86 . 5 1 1 A 8 8 SER C C 8 175.000 175.394 -0.394 1
1 87 . 5 1 1 A 8 8 SER CA C 8 57.500 57.229 0.271 1
1 88 . 5 1 1 A 8 8 SER CB C 8 64.700 65.174 -0.474 1
1 89 . 5 1 1 A 8 8 SER N N 8 118.600 120.985 -2.385 1
1 90 . 5 1 1 A 9 9 ASN H H 9 8.910 8.911 -0.001 1
1 91 . 5 1 1 A 9 9 ASN HA H 9 4.540 4.457 0.083 1
1 96 . 5 1 1 A 9 9 ASN C C 9 177.200 177.844 -0.644 1
1 97 . 5 1 1 A 9 9 ASN CA C 9 55.900 56.907 -1.007 1
1 98 . 5 1 1 A 9 9 ASN CB C 9 38.200 37.907 0.293 1
1 100 . 5 1 1 A 9 9 ASN N N 9 121.400 120.763 0.637 1
1 102 . 5 1 1 A 10 10 THR H H 10 8.180 8.262 -0.082 1
1 103 . 5 1 1 A 10 10 THR HA H 10 4.070 3.810 0.260 1
1 108 . 5 1 1 A 10 10 THR C C 10 176.600 176.381 0.219 1
1 109 . 5 1 1 A 10 10 THR CA C 10 65.300 67.296 -1.996 1
1 110 . 5 1 1 A 10 10 THR CB C 10 68.800 68.515 0.285 1
1 112 . 5 1 1 A 10 10 THR N N 10 113.500 115.702 -2.202 1
1 113 . 5 1 1 A 11 11 GLN H H 11 7.950 7.862 0.088 1
1 114 . 5 1 1 A 11 11 GLN HA H 11 4.160 4.067 0.093 1
1 121 . 5 1 1 A 11 11 GLN C C 11 178.400 178.382 0.018 1
1 122 . 5 1 1 A 11 11 GLN CA C 11 59.000 58.804 0.196 1
1 123 . 5 1 1 A 11 11 GLN CB C 11 29.200 28.828 0.372 1
1 126 . 5 1 1 A 11 11 GLN N N 11 122.500 122.008 0.492 1
1 128 . 5 1 1 A 12 12 VAL H H 12 7.850 8.003 -0.153 1
1 129 . 5 1 1 A 12 12 VAL HA H 12 3.540 3.552 -0.012 1
1 137 . 5 1 1 A 12 12 VAL C C 12 177.400 177.810 -0.410 1
1 138 . 5 1 1 A 12 12 VAL CA C 12 66.400 66.778 -0.378 1
1 139 . 5 1 1 A 12 12 VAL CB C 12 32.300 31.693 0.607 1
1 142 . 5 1 1 A 12 12 VAL N N 12 119.000 119.855 -0.855 1
1 143 . 5 1 1 A 13 13 GLU H H 13 8.550 8.570 -0.020 1
1 144 . 5 1 1 A 13 13 GLU HA H 13 3.910 4.130 -0.220 1
1 149 . 5 1 1 A 13 13 GLU C C 13 179.500 179.022 0.478 1
1 150 . 5 1 1 A 13 13 GLU CA C 13 59.700 59.197 0.503 1
1 151 . 5 1 1 A 13 13 GLU CB C 13 29.100 28.731 0.369 1
1 153 . 5 1 1 A 13 13 GLU N N 13 118.300 119.979 -1.679 1
1 154 . 5 1 1 A 14 14 SER H H 14 8.080 7.543 0.537 1
1 155 . 5 1 1 A 14 14 SER HA H 14 4.260 4.281 -0.021 1
1 158 . 5 1 1 A 14 14 SER C C 14 176.200 177.390 -1.190 1
1 159 . 5 1 1 A 14 14 SER CA C 14 61.700 61.125 0.575 1
1 160 . 5 1 1 A 14 14 SER CB C 14 62.800 62.890 -0.090 1
1 161 . 5 1 1 A 14 14 SER N N 14 114.600 115.983 -1.383 1
1 162 . 5 1 1 A 15 15 LEU H H 15 7.110 7.980 -0.870 1
1 163 . 5 1 1 A 15 15 LEU HA H 15 3.690 4.026 -0.336 1
1 173 . 5 1 1 A 15 15 LEU C C 15 177.800 178.773 -0.973 1
1 174 . 5 1 1 A 15 15 LEU CA C 15 57.700 58.412 -0.712 1
1 175 . 5 1 1 A 15 15 LEU CB C 15 42.300 41.959 0.341 1
1 179 . 5 1 1 A 15 15 LEU N N 15 122.200 122.722 -0.522 1
1 180 . 5 1 1 A 16 16 ILE H H 16 8.030 8.379 -0.349 1
1 181 . 5 1 1 A 16 16 ILE HA H 16 3.220 3.764 -0.544 1
1 191 . 5 1 1 A 16 16 ILE C C 16 177.200 177.994 -0.794 1
1 192 . 5 1 1 A 16 16 ILE CA C 16 66.000 65.634 0.366 1
1 193 . 5 1 1 A 16 16 ILE CB C 16 39.100 37.557 1.543 1
1 197 . 5 1 1 A 16 16 ILE N N 16 117.900 119.917 -2.017 1
1 198 . 5 1 1 A 17 17 ALA H H 17 7.960 8.293 -0.333 1
1 199 . 5 1 1 A 17 17 ALA HA H 17 3.930 3.995 -0.065 1
1 203 . 5 1 1 A 17 17 ALA C C 17 180.600 179.542 1.058 1
1 204 . 5 1 1 A 17 17 ALA CA C 17 55.400 55.915 -0.515 1
1 205 . 5 1 1 A 17 17 ALA CB C 17 18.000 18.197 -0.197 1
1 206 . 5 1 1 A 17 17 ALA N N 17 118.300 122.405 -4.105 1
1 207 . 5 1 1 A 18 18 GLU H H 18 7.630 7.743 -0.113 1
1 208 . 5 1 1 A 18 18 GLU HA H 18 4.030 4.117 -0.087 1
1 213 . 5 1 1 A 18 18 GLU C C 18 179.400 179.254 0.146 1
1 214 . 5 1 1 A 18 18 GLU CA C 18 59.800 58.504 1.296 1
1 215 . 5 1 1 A 18 18 GLU CB C 18 30.300 29.478 0.822 1
1 217 . 5 1 1 A 18 18 GLU N N 18 116.300 118.362 -2.062 1
1 218 . 5 1 1 A 19 19 ILE H H 19 8.110 7.858 0.252 1
1 219 . 5 1 1 A 19 19 ILE HA H 19 3.590 3.700 -0.110 1
1 229 . 5 1 1 A 19 19 ILE C C 19 177.800 178.490 -0.690 1
1 230 . 5 1 1 A 19 19 ILE CA C 19 66.500 65.192 1.308 1
1 231 . 5 1 1 A 19 19 ILE CB C 19 37.500 37.523 -0.023 1
1 235 . 5 1 1 A 19 19 ILE N N 19 121.100 120.795 0.305 1
1 236 . 5 1 1 A 20 20 LEU H H 20 8.480 8.172 0.308 1
1 237 . 5 1 1 A 20 20 LEU HA H 20 4.020 4.077 -0.057 1
1 247 . 5 1 1 A 20 20 LEU C C 20 180.500 179.426 1.074 1
1 248 . 5 1 1 A 20 20 LEU CA C 20 58.600 57.920 0.680 1
1 249 . 5 1 1 A 20 20 LEU CB C 20 40.400 41.355 -0.955 1
1 253 . 5 1 1 A 20 20 LEU N N 20 118.300 119.837 -1.537 1
1 254 . 5 1 1 A 21 21 VAL H H 21 7.810 7.976 -0.166 1
1 255 . 5 1 1 A 21 21 VAL HA H 21 3.770 3.619 0.151 1
1 263 . 5 1 1 A 21 21 VAL C C 21 178.200 178.312 -0.112 1
1 264 . 5 1 1 A 21 21 VAL CA C 21 66.800 66.299 0.501 1
1 265 . 5 1 1 A 21 21 VAL CB C 21 31.600 31.617 -0.017 1
1 268 . 5 1 1 A 21 21 VAL N N 21 119.700 120.259 -0.559 1
1 269 . 5 1 1 A 22 22 VAL H H 22 7.530 8.199 -0.669 1
1 270 . 5 1 1 A 22 22 VAL HA H 22 3.610 3.594 0.016 1
1 278 . 5 1 1 A 22 22 VAL C C 22 178.500 178.219 0.281 1
1 279 . 5 1 1 A 22 22 VAL CA C 22 67.300 66.807 0.493 1
1 280 . 5 1 1 A 22 22 VAL CB C 22 31.500 31.634 -0.134 1
1 283 . 5 1 1 A 22 22 VAL N N 22 121.400 120.782 0.618 1
1 284 . 5 1 1 A 23 23 LEU H H 23 7.610 8.060 -0.450 1
1 285 . 5 1 1 A 23 23 LEU HA H 23 3.880 3.938 -0.058 1
1 295 . 5 1 1 A 23 23 LEU C C 23 179.700 178.983 0.717 1
1 296 . 5 1 1 A 23 23 LEU CA C 23 58.400 58.448 -0.048 1
1 297 . 5 1 1 A 23 23 LEU CB C 23 40.900 41.687 -0.787 1
1 301 . 5 1 1 A 23 23 LEU N N 23 116.800 120.478 -3.678 1
1 302 . 5 1 1 A 24 24 GLU H H 24 8.160 8.595 -0.435 1
1 303 . 5 1 1 A 24 24 GLU HA H 24 4.170 4.025 0.145 1
1 308 . 5 1 1 A 24 24 GLU C C 24 180.900 178.653 2.247 1
1 309 . 5 1 1 A 24 24 GLU CA C 24 59.000 59.113 -0.113 1
1 310 . 5 1 1 A 24 24 GLU CB C 24 29.700 29.579 0.121 1
1 312 . 5 1 1 A 24 24 GLU N N 24 119.200 118.522 0.678 1
1 313 . 5 1 1 A 25 25 LYS H H 25 8.980 7.891 1.089 1
1 314 . 5 1 1 A 25 25 LYS HA H 25 4.050 4.073 -0.023 1
1 323 . 5 1 1 A 25 25 LYS C C 25 178.600 178.046 0.554 1
1 324 . 5 1 1 A 25 25 LYS CA C 25 59.300 58.979 0.321 1
1 325 . 5 1 1 A 25 25 LYS CB C 25 32.100 32.287 -0.187 1
1 329 . 5 1 1 A 25 25 LYS N N 25 122.900 118.938 3.962 1
1 330 . 5 1 1 A 26 26 HIS H H 26 7.400 7.679 -0.279 1
1 331 . 5 1 1 A 26 26 HIS HA H 26 4.460 4.818 -0.358 1
1 336 . 5 1 1 A 26 26 HIS C C 26 173.600 175.451 -1.851 1
1 337 . 5 1 1 A 26 26 HIS CA C 26 56.500 55.057 1.443 1
1 338 . 5 1 1 A 26 26 HIS CB C 26 29.200 29.533 -0.333 1
1 341 . 5 1 1 A 26 26 HIS N N 26 113.800 112.405 1.395 1
1 342 . 5 1 1 A 27 27 LYS H H 27 8.200 8.055 0.145 1
1 343 . 5 1 1 A 27 27 LYS HA H 27 3.950 4.094 -0.144 1
1 352 . 5 1 1 A 27 27 LYS C C 27 176.500 175.797 0.703 1
1 353 . 5 1 1 A 27 27 LYS CA C 27 56.600 57.988 -1.388 1
1 354 . 5 1 1 A 27 27 LYS CB C 27 29.600 32.390 -2.790 1
1 358 . 5 1 1 A 27 27 LYS N N 27 119.500 118.586 0.914 1
1 359 . 5 1 1 A 28 28 ALA H H 28 7.760 7.901 -0.141 1
1 360 . 5 1 1 A 28 28 ALA HA H 28 4.490 3.783 0.707 1
1 364 . 5 1 1 A 28 28 ALA CA C 28 51.000 52.598 -1.598 1
1 365 . 5 1 1 A 28 28 ALA CB C 28 19.200 17.438 1.762 1
1 366 . 5 1 1 A 28 28 ALA N N 28 121.500 121.830 -0.330 1
1 367 . 5 1 1 A 29 29 PRO HA H 29 4.720 4.456 0.264 1
1 374 . 5 1 1 A 29 29 PRO C C 29 177.400 177.631 -0.231 1
1 375 . 5 1 1 A 29 29 PRO CA C 29 62.100 62.658 -0.558 1
1 376 . 5 1 1 A 29 29 PRO CB C 29 33.000 32.521 0.479 1
1 379 . 5 1 1 A 30 30 THR H H 30 8.830 8.368 0.462 1
1 380 . 5 1 1 A 30 30 THR HA H 30 3.680 3.922 -0.242 1
1 385 . 5 1 1 A 30 30 THR C C 30 175.200 175.936 -0.736 1
1 386 . 5 1 1 A 30 30 THR CA C 30 67.400 65.696 1.704 1
1 387 . 5 1 1 A 30 30 THR CB C 30 68.500 68.756 -0.256 1
1 389 . 5 1 1 A 30 30 THR N N 30 120.400 118.357 2.043 1
1 390 . 5 1 1 A 31 31 ASP H H 31 8.880 8.179 0.701 1
1 391 . 5 1 1 A 31 31 ASP HA H 31 4.220 4.280 -0.060 1
1 394 . 5 1 1 A 31 31 ASP C C 31 179.000 178.414 0.586 1
1 395 . 5 1 1 A 31 31 ASP CA C 31 57.400 57.636 -0.236 1
1 396 . 5 1 1 A 31 31 ASP CB C 31 38.700 41.738 -3.038 1
1 397 . 5 1 1 A 31 31 ASP N N 31 118.600 121.544 -2.944 1
1 398 . 5 1 1 A 32 32 LEU H H 32 7.540 7.705 -0.165 1
1 399 . 5 1 1 A 32 32 LEU HA H 32 3.970 4.086 -0.116 1
1 409 . 5 1 1 A 32 32 LEU C C 32 178.100 178.911 -0.811 1
1 410 . 5 1 1 A 32 32 LEU CA C 32 57.500 57.946 -0.446 1
1 411 . 5 1 1 A 32 32 LEU CB C 32 40.600 41.602 -1.002 1
1 415 . 5 1 1 A 32 32 LEU N N 32 124.300 120.940 3.360 1
1 416 . 5 1 1 A 33 33 SER H H 33 8.420 8.215 0.205 1
1 417 . 5 1 1 A 33 33 SER HA H 33 3.860 4.096 -0.236 1
1 420 . 5 1 1 A 33 33 SER C C 33 175.900 176.530 -0.630 1
1 421 . 5 1 1 A 33 33 SER CA C 33 63.100 62.485 0.615 1
1 422 . 5 1 1 A 33 33 SER CB C 33 62.900 62.823 0.077 1
1 423 . 5 1 1 A 33 33 SER N N 33 116.000 117.058 -1.058 1
1 424 . 5 1 1 A 34 34 LEU H H 34 8.400 8.579 -0.179 1
1 425 . 5 1 1 A 34 34 LEU HA H 34 4.010 4.012 -0.002 1
1 435 . 5 1 1 A 34 34 LEU C C 34 179.500 179.001 0.499 1
1 436 . 5 1 1 A 34 34 LEU CA C 34 58.700 57.924 0.776 1
1 437 . 5 1 1 A 34 34 LEU CB C 34 41.500 41.551 -0.051 1
1 441 . 5 1 1 A 34 34 LEU N N 34 120.400 121.010 -0.610 1
1 442 . 5 1 1 A 35 35 MET H H 35 7.970 7.991 -0.021 1
1 443 . 5 1 1 A 35 35 MET HA H 35 4.210 4.261 -0.051 1
1 451 . 5 1 1 A 35 35 MET C C 35 178.900 178.303 0.597 1
1 452 . 5 1 1 A 35 35 MET CA C 35 59.100 57.918 1.182 1
1 453 . 5 1 1 A 35 35 MET CB C 35 33.100 32.395 0.705 1
1 456 . 5 1 1 A 35 35 MET N N 35 120.300 116.445 3.855 1
1 457 . 5 1 1 A 36 36 ALA H H 36 8.710 7.990 0.720 1
1 458 . 5 1 1 A 36 36 ALA HA H 36 3.900 4.086 -0.186 1
1 462 . 5 1 1 A 36 36 ALA C C 36 179.700 179.872 -0.172 1
1 463 . 5 1 1 A 36 36 ALA CA C 36 55.400 55.075 0.325 1
1 464 . 5 1 1 A 36 36 ALA CB C 36 18.600 18.650 -0.050 1
1 465 . 5 1 1 A 36 36 ALA N N 36 121.700 121.472 0.228 1
1 466 . 5 1 1 A 37 37 LEU H H 37 8.750 8.726 0.024 1
1 467 . 5 1 1 A 37 37 LEU HA H 37 3.980 3.950 0.030 1
1 477 . 5 1 1 A 37 37 LEU C C 37 179.600 179.321 0.279 1
1 478 . 5 1 1 A 37 37 LEU CA C 37 59.000 57.857 1.143 1
1 479 . 5 1 1 A 37 37 LEU CB C 37 42.000 41.814 0.186 1
1 483 . 5 1 1 A 37 37 LEU N N 37 118.100 118.359 -0.259 1
1 484 . 5 1 1 A 38 38 GLY H H 38 8.780 8.311 0.469 1
1 485 . 5 1 1 A 38 38 GLY HA2 H 38 3.650 3.813 -0.163 1
1 486 . 5 1 1 A 38 38 GLY HA3 H 38 3.940 3.820 0.120 1
1 487 . 5 1 1 A 38 38 GLY C C 38 175.600 176.543 -0.943 1
1 488 . 5 1 1 A 38 38 GLY CA C 38 48.300 47.422 0.878 1
1 489 . 5 1 1 A 38 38 GLY N N 38 105.600 105.996 -0.396 1
1 490 . 5 1 1 A 39 39 ASN H H 39 8.180 7.426 0.754 1
1 491 . 5 1 1 A 39 39 ASN HA H 39 4.550 4.483 0.067 1
1 496 . 5 1 1 A 39 39 ASN C C 39 178.400 178.091 0.309 1
1 497 . 5 1 1 A 39 39 ASN CA C 39 56.000 55.913 0.087 1
1 498 . 5 1 1 A 39 39 ASN CB C 39 39.200 38.312 0.888 1
1 500 . 5 1 1 A 39 39 ASN N N 39 120.000 119.798 0.202 1
1 502 . 5 1 1 A 40 40 CYS H H 40 8.420 8.181 0.239 1
1 503 . 5 1 1 A 40 40 CYS HA H 40 4.010 4.149 -0.139 1
1 506 . 5 1 1 A 40 40 CYS C C 40 176.000 177.058 -1.058 1
1 507 . 5 1 1 A 40 40 CYS CA C 40 65.300 63.639 1.661 1
1 508 . 5 1 1 A 40 40 CYS CB C 40 27.200 26.787 0.413 1
1 509 . 5 1 1 A 40 40 CYS N N 40 120.200 118.742 1.458 1
1 510 . 5 1 1 A 41 41 VAL H H 41 7.830 8.178 -0.348 1
1 511 . 5 1 1 A 41 41 VAL HA H 41 3.250 3.430 -0.180 1
1 519 . 5 1 1 A 41 41 VAL C C 41 177.500 178.626 -1.126 1
1 520 . 5 1 1 A 41 41 VAL CA C 41 67.500 66.959 0.541 1
1 521 . 5 1 1 A 41 41 VAL CB C 41 30.800 31.541 -0.741 1
1 524 . 5 1 1 A 41 41 VAL N N 41 119.400 120.610 -1.210 1
1 525 . 5 1 1 A 42 42 THR H H 42 8.270 7.756 0.514 1
1 526 . 5 1 1 A 42 42 THR HA H 42 3.520 3.877 -0.357 1
1 531 . 5 1 1 A 42 42 THR C C 42 176.200 176.160 0.040 1
1 532 . 5 1 1 A 42 42 THR CA C 42 67.800 66.778 1.022 1
1 533 . 5 1 1 A 42 42 THR CB C 42 67.800 68.500 -0.700 1
1 535 . 5 1 1 A 42 42 THR N N 42 113.600 116.191 -2.591 1
1 536 . 5 1 1 A 43 43 HIS H H 43 8.250 8.269 -0.019 1
1 537 . 5 1 1 A 43 43 HIS HA H 43 4.310 4.209 0.101 1
1 542 . 5 1 1 A 43 43 HIS C C 43 177.200 176.974 0.226 1
1 543 . 5 1 1 A 43 43 HIS CA C 43 59.300 60.027 -0.727 1
1 544 . 5 1 1 A 43 43 HIS CB C 43 28.900 29.453 -0.553 1
1 547 . 5 1 1 A 43 43 HIS N N 43 120.000 122.720 -2.720 1
1 550 . 5 1 1 A 44 44 LEU H H 44 8.070 8.179 -0.109 1
1 551 . 5 1 1 A 44 44 LEU HA H 44 3.960 3.916 0.044 1
1 561 . 5 1 1 A 44 44 LEU C C 44 179.300 179.234 0.066 1
1 562 . 5 1 1 A 44 44 LEU CA C 44 58.400 57.831 0.569 1
1 563 . 5 1 1 A 44 44 LEU CB C 44 42.200 41.429 0.771 1
1 567 . 5 1 1 A 44 44 LEU N N 44 119.400 119.741 -0.341 1
1 568 . 5 1 1 A 45 45 LEU H H 45 8.410 8.012 0.398 1
1 569 . 5 1 1 A 45 45 LEU HA H 45 3.850 3.887 -0.037 1
1 579 . 5 1 1 A 45 45 LEU C C 45 178.700 179.162 -0.462 1
1 580 . 5 1 1 A 45 45 LEU CA C 45 58.200 57.966 0.234 1
1 581 . 5 1 1 A 45 45 LEU CB C 45 41.800 41.123 0.677 1
1 585 . 5 1 1 A 45 45 LEU N N 45 118.100 119.307 -1.207 1
1 586 . 5 1 1 A 46 46 GLU H H 46 8.120 8.115 0.005 1
1 587 . 5 1 1 A 46 46 GLU HA H 46 3.740 4.162 -0.422 1
1 592 . 5 1 1 A 46 46 GLU C C 46 178.000 176.987 1.013 1
1 593 . 5 1 1 A 46 46 GLU CA C 46 58.900 58.755 0.145 1
1 594 . 5 1 1 A 46 46 GLU CB C 46 29.700 29.270 0.430 1
1 596 . 5 1 1 A 46 46 GLU N N 46 115.000 118.038 -3.038 1
1 597 . 5 1 1 A 47 47 ARG H H 47 7.740 7.696 0.044 1
1 598 . 5 1 1 A 47 47 ARG HA H 47 4.270 4.362 -0.092 1
1 606 . 5 1 1 A 47 47 ARG C C 47 178.500 177.744 0.756 1
1 607 . 5 1 1 A 47 47 ARG CA C 47 57.000 57.500 -0.500 1
1 608 . 5 1 1 A 47 47 ARG CB C 47 31.600 31.290 0.310 1
1 611 . 5 1 1 A 47 47 ARG N N 47 114.000 118.350 -4.350 1
1 613 . 5 1 1 A 48 48 LYS H H 48 8.210 8.070 0.140 1
1 614 . 5 1 1 A 48 48 LYS HA H 48 4.620 4.432 0.188 1
1 623 . 5 1 1 A 48 48 LYS C C 48 176.400 174.844 1.556 1
1 624 . 5 1 1 A 48 48 LYS CA C 48 55.500 55.617 -0.117 1
1 625 . 5 1 1 A 48 48 LYS CB C 48 34.500 32.607 1.893 1
1 629 . 5 1 1 A 48 48 LYS N N 48 114.000 116.103 -2.103 1
1 630 . 5 1 1 A 49 49 VAL H H 49 7.630 7.502 0.128 1
1 631 . 5 1 1 A 49 49 VAL HA H 49 4.710 4.505 0.205 1
1 639 . 5 1 1 A 49 49 VAL CA C 49 59.400 58.593 0.807 1
1 640 . 5 1 1 A 49 49 VAL CB C 49 33.600 34.896 -1.296 1
1 643 . 5 1 1 A 49 49 VAL N N 49 121.800 119.544 2.256 1
1 644 . 5 1 1 A 50 50 PRO HA H 50 4.460 4.510 -0.050 1
1 651 . 5 1 1 A 50 50 PRO C C 50 177.900 178.088 -0.188 1
1 652 . 5 1 1 A 50 50 PRO CA C 50 63.200 62.977 0.223 1
1 653 . 5 1 1 A 50 50 PRO CB C 50 32.900 32.595 0.305 1
1 656 . 5 1 1 A 51 51 SER H H 51 8.950 8.759 0.191 1
1 657 . 5 1 1 A 51 51 SER HA H 51 3.910 4.181 -0.271 1
1 660 . 5 1 1 A 51 51 SER C C 51 176.300 176.413 -0.113 1
1 661 . 5 1 1 A 51 51 SER CA C 51 62.800 61.361 1.439 1
1 662 . 5 1 1 A 51 51 SER CB C 51 62.700 62.824 -0.124 1
1 663 . 5 1 1 A 51 51 SER N N 51 119.000 118.310 0.690 1
1 664 . 5 1 1 A 52 52 GLU H H 52 9.480 9.061 0.419 1
1 665 . 5 1 1 A 52 52 GLU HA H 52 4.220 4.182 0.038 1
1 670 . 5 1 1 A 52 52 GLU C C 52 177.000 177.537 -0.537 1
1 671 . 5 1 1 A 52 52 GLU CA C 52 59.200 58.727 0.473 1
1 672 . 5 1 1 A 52 52 GLU CB C 52 28.700 28.501 0.199 1
1 674 . 5 1 1 A 52 52 GLU N N 52 118.900 119.731 -0.831 1
1 675 . 5 1 1 A 53 53 SER H H 53 7.770 8.033 -0.263 1
1 676 . 5 1 1 A 53 53 SER HA H 53 4.940 4.550 0.390 1
1 679 . 5 1 1 A 53 53 SER C C 53 174.200 175.890 -1.690 1
1 680 . 5 1 1 A 53 53 SER CA C 53 58.200 58.602 -0.402 1
1 681 . 5 1 1 A 53 53 SER CB C 53 64.800 64.076 0.724 1
1 682 . 5 1 1 A 53 53 SER N N 53 112.500 115.690 -3.190 1
1 683 . 5 1 1 A 54 54 ARG H H 54 7.380 8.017 -0.637 1
1 684 . 5 1 1 A 54 54 ARG HA H 54 3.630 4.097 -0.467 1
1 696 . 5 1 1 A 54 54 ARG C C 54 177.200 179.117 -1.917 1
1 697 . 5 1 1 A 54 54 ARG CA C 54 61.400 59.459 1.941 1
1 698 . 5 1 1 A 54 54 ARG CB C 54 31.200 29.947 1.253 1
1 701 . 5 1 1 A 54 54 ARG N N 54 122.100 120.870 1.230 1
1 703 . 5 1 1 A 55 55 GLN H H 55 9.010 8.219 0.791 1
1 704 . 5 1 1 A 55 55 GLN HA H 55 3.840 4.042 -0.202 1
1 711 . 5 1 1 A 55 55 GLN C C 55 178.000 178.838 -0.838 1
1 712 . 5 1 1 A 55 55 GLN CA C 55 59.700 58.739 0.961 1
1 713 . 5 1 1 A 55 55 GLN CB C 55 28.100 28.476 -0.376 1
1 716 . 5 1 1 A 55 55 GLN N N 55 118.000 118.790 -0.790 1
1 718 . 5 1 1 A 56 56 ALA H H 56 8.280 7.911 0.369 1
1 719 . 5 1 1 A 56 56 ALA HA H 56 4.190 4.039 0.151 1
1 723 . 5 1 1 A 56 56 ALA C C 56 181.200 180.111 1.089 1
1 724 . 5 1 1 A 56 56 ALA CA C 56 55.200 55.287 -0.087 1
1 725 . 5 1 1 A 56 56 ALA CB C 56 17.900 18.142 -0.242 1
1 726 . 5 1 1 A 56 56 ALA N N 56 122.300 122.613 -0.313 1
1 727 . 5 1 1 A 57 57 VAL H H 57 8.150 8.052 0.098 1
1 728 . 5 1 1 A 57 57 VAL HA H 57 3.740 3.467 0.273 1
1 736 . 5 1 1 A 57 57 VAL C C 57 178.900 178.270 0.630 1
1 737 . 5 1 1 A 57 57 VAL CA C 57 66.700 66.872 -0.172 1
1 738 . 5 1 1 A 57 57 VAL CB C 57 31.700 31.345 0.355 1
1 741 . 5 1 1 A 57 57 VAL N N 57 119.600 118.685 0.915 1
1 742 . 5 1 1 A 58 58 ALA H H 58 8.370 8.314 0.056 1
1 743 . 5 1 1 A 58 58 ALA HA H 58 3.910 3.976 -0.066 1
1 747 . 5 1 1 A 58 58 ALA C C 58 179.500 179.902 -0.402 1
1 748 . 5 1 1 A 58 58 ALA CA C 58 55.800 56.026 -0.226 1
1 749 . 5 1 1 A 58 58 ALA CB C 58 18.500 18.641 -0.141 1
1 750 . 5 1 1 A 58 58 ALA N N 58 123.000 122.098 0.902 1
1 751 . 5 1 1 A 59 59 GLU H H 59 8.630 8.165 0.465 1
1 752 . 5 1 1 A 59 59 GLU HA H 59 4.100 4.006 0.094 1
1 757 . 5 1 1 A 59 59 GLU C C 59 179.400 179.209 0.191 1
1 758 . 5 1 1 A 59 59 GLU CA C 59 59.600 59.739 -0.139 1
1 759 . 5 1 1 A 59 59 GLU CB C 59 29.300 29.583 -0.283 1
1 761 . 5 1 1 A 59 59 GLU N N 59 118.400 117.859 0.541 1
1 762 . 5 1 1 A 60 60 GLN H H 60 8.280 8.159 0.121 1
1 763 . 5 1 1 A 60 60 GLN HA H 60 4.090 4.116 -0.026 1
1 770 . 5 1 1 A 60 60 GLN C C 60 178.700 178.346 0.354 1
1 771 . 5 1 1 A 60 60 GLN CA C 60 59.100 58.498 0.602 1
1 772 . 5 1 1 A 60 60 GLN CB C 60 28.100 27.988 0.112 1
1 775 . 5 1 1 A 60 60 GLN N N 60 120.400 118.128 2.272 1
1 777 . 5 1 1 A 61 61 PHE H H 61 8.400 8.600 -0.200 1
1 778 . 5 1 1 A 61 61 PHE HA H 61 4.160 4.276 -0.116 1
1 786 . 5 1 1 A 61 61 PHE C C 61 177.600 178.922 -1.322 1
1 787 . 5 1 1 A 61 61 PHE CA C 61 61.400 61.911 -0.511 1
1 788 . 5 1 1 A 61 61 PHE CB C 61 39.100 39.230 -0.130 1
1 794 . 5 1 1 A 61 61 PHE N N 61 122.000 121.756 0.244 1
1 795 . 5 1 1 A 62 62 ALA H H 62 8.620 8.278 0.342 1
1 796 . 5 1 1 A 62 62 ALA HA H 62 3.980 4.069 -0.089 1
1 800 . 5 1 1 A 62 62 ALA C C 62 179.700 179.942 -0.242 1
1 801 . 5 1 1 A 62 62 ALA CA C 62 55.500 54.923 0.577 1
1 802 . 5 1 1 A 62 62 ALA CB C 62 18.900 18.424 0.476 1
1 803 . 5 1 1 A 62 62 ALA N N 62 122.000 121.651 0.349 1
1 804 . 5 1 1 A 63 63 LYS H H 63 8.470 8.116 0.354 1
1 805 . 5 1 1 A 63 63 LYS HA H 63 4.050 3.988 0.062 1
1 814 . 5 1 1 A 63 63 LYS C C 63 179.200 178.686 0.514 1
1 815 . 5 1 1 A 63 63 LYS CA C 63 59.600 59.142 0.458 1
1 816 . 5 1 1 A 63 63 LYS CB C 63 32.600 32.479 0.121 1
1 820 . 5 1 1 A 63 63 LYS N N 63 119.500 118.816 0.684 1
1 821 . 5 1 1 A 64 64 ALA H H 64 8.000 8.165 -0.165 1
1 822 . 5 1 1 A 64 64 ALA HA H 64 4.100 4.034 0.066 1
1 826 . 5 1 1 A 64 64 ALA C C 64 180.700 180.004 0.696 1
1 827 . 5 1 1 A 64 64 ALA CA C 64 55.000 55.112 -0.112 1
1 828 . 5 1 1 A 64 64 ALA CB C 64 17.700 18.277 -0.577 1
1 829 . 5 1 1 A 64 64 ALA N N 64 122.000 121.381 0.619 1
1 830 . 5 1 1 A 65 65 LEU H H 65 7.830 7.819 0.011 1
1 831 . 5 1 1 A 65 65 LEU HA H 65 3.950 3.747 0.203 1
1 841 . 5 1 1 A 65 65 LEU C C 65 178.900 178.776 0.124 1
1 842 . 5 1 1 A 65 65 LEU CA C 65 57.800 57.893 -0.093 1
1 843 . 5 1 1 A 65 65 LEU CB C 65 41.700 41.383 0.317 1
1 847 . 5 1 1 A 65 65 LEU N N 65 120.600 118.642 1.958 1
1 848 . 5 1 1 A 66 66 ALA H H 66 7.990 8.585 -0.595 1
1 849 . 5 1 1 A 66 66 ALA HA H 66 3.840 3.963 -0.123 1
1 853 . 5 1 1 A 66 66 ALA C C 66 180.300 179.697 0.603 1
1 854 . 5 1 1 A 66 66 ALA CA C 66 55.500 55.126 0.374 1
1 855 . 5 1 1 A 66 66 ALA CB C 66 17.900 18.175 -0.275 1
1 856 . 5 1 1 A 66 66 ALA N N 66 120.900 121.571 -0.671 1
1 857 . 5 1 1 A 67 67 GLN H H 67 8.140 8.236 -0.096 1
1 858 . 5 1 1 A 67 67 GLN HA H 67 4.070 3.964 0.106 1
1 865 . 5 1 1 A 67 67 GLN C C 67 178.400 178.152 0.248 1
1 866 . 5 1 1 A 67 67 GLN CA C 67 58.300 59.155 -0.855 1
1 867 . 5 1 1 A 67 67 GLN CB C 67 28.400 28.398 0.002 1
1 870 . 5 1 1 A 67 67 GLN N N 67 116.600 118.651 -2.051 1
1 872 . 5 1 1 A 68 68 SER H H 68 8.120 8.198 -0.078 1
1 873 . 5 1 1 A 68 68 SER HA H 68 4.220 4.119 0.101 1
1 876 . 5 1 1 A 68 68 SER C C 68 176.500 176.075 0.425 1
1 877 . 5 1 1 A 68 68 SER CA C 68 61.500 62.632 -1.132 1
1 878 . 5 1 1 A 68 68 SER CB C 68 63.000 62.942 0.058 1
1 879 . 5 1 1 A 68 68 SER N N 68 116.700 117.441 -0.741 1
1 880 . 5 1 1 A 69 69 VAL H H 69 7.660 8.104 -0.444 1
1 881 . 5 1 1 A 69 69 VAL HA H 69 3.860 3.523 0.337 1
1 889 . 5 1 1 A 69 69 VAL C C 69 177.400 177.750 -0.350 1
1 890 . 5 1 1 A 69 69 VAL CA C 69 64.900 67.126 -2.226 1
1 891 . 5 1 1 A 69 69 VAL CB C 69 31.900 31.495 0.405 1
1 894 . 5 1 1 A 69 69 VAL N N 69 119.800 121.920 -2.120 1
1 895 . 5 1 1 A 70 70 LYS H H 70 7.860 7.685 0.175 1
1 896 . 5 1 1 A 70 70 LYS HA H 70 4.040 3.991 0.049 1
1 905 . 5 1 1 A 70 70 LYS C C 70 178.400 179.409 -1.009 1
1 906 . 5 1 1 A 70 70 LYS CA C 70 59.200 59.804 -0.604 1
1 907 . 5 1 1 A 70 70 LYS CB C 70 32.800 32.438 0.362 1
1 911 . 5 1 1 A 70 70 LYS N N 70 121.300 119.435 1.865 1
1 912 . 5 1 1 A 71 71 SER H H 71 8.390 8.380 0.010 1
1 913 . 5 1 1 A 71 71 SER HA H 71 4.280 4.215 0.065 1
1 916 . 5 1 1 A 71 71 SER C C 71 176.000 177.134 -1.134 1
1 917 . 5 1 1 A 71 71 SER CA C 71 60.700 61.207 -0.507 1
1 918 . 5 1 1 A 71 71 SER CB C 71 63.300 63.203 0.097 1
1 919 . 5 1 1 A 71 71 SER N N 71 114.400 114.212 0.188 1
1 920 . 5 1 1 A 72 72 ASN H H 72 7.940 8.102 -0.162 1
1 921 . 5 1 1 A 72 72 ASN HA H 72 4.630 4.491 0.139 1
1 926 . 5 1 1 A 72 72 ASN C C 72 176.700 176.639 0.061 1
1 927 . 5 1 1 A 72 72 ASN CA C 72 55.000 56.371 -1.371 1
1 928 . 5 1 1 A 72 72 ASN CB C 72 39.000 39.734 -0.734 1
1 930 . 5 1 1 A 72 72 ASN N N 72 119.700 119.483 0.217 1
1 932 . 5 1 1 A 73 73 LEU H H 73 7.900 7.463 0.437 1
1 933 . 5 1 1 A 73 73 LEU HA H 73 4.180 4.400 -0.220 1
1 943 . 5 1 1 A 73 73 LEU C C 73 178.400 177.336 1.064 1
1 944 . 5 1 1 A 73 73 LEU CA C 73 56.700 54.507 2.193 1
1 945 . 5 1 1 A 73 73 LEU CB C 73 42.300 42.114 0.186 1
1 949 . 5 1 1 A 73 73 LEU N N 73 121.000 117.597 3.403 1
1 950 . 5 1 1 A 74 74 GLU H H 74 8.060 7.849 0.211 1
1 951 . 5 1 1 A 74 74 GLU HA H 74 4.120 4.542 -0.422 1
1 956 . 5 1 1 A 74 74 GLU C C 74 177.100 176.262 0.838 1
1 957 . 5 1 1 A 74 74 GLU CA C 74 57.400 56.163 1.237 1
1 958 . 5 1 1 A 74 74 GLU CB C 74 29.900 29.777 0.123 1
1 960 . 5 1 1 A 74 74 GLU N N 74 119.300 120.894 -1.594 1
1 961 . 5 1 1 A 75 75 HIS H H 75 8.140 8.638 -0.498 1
1 962 . 5 1 1 A 75 75 HIS HA H 75 4.590 4.785 -0.195 1
1 966 . 5 1 1 A 75 75 HIS C C 75 174.900 175.771 -0.871 1
1 967 . 5 1 1 A 75 75 HIS CA C 75 56.100 57.125 -1.025 1
1 968 . 5 1 1 A 75 75 HIS CB C 75 29.000 31.573 -2.573 1
1 970 . 5 1 1 A 75 75 HIS N N 75 117.500 126.180 -8.680 1
1 971 . 5 1 1 A 76 76 HIS H H 76 8.240 8.583 -0.343 1
1 972 . 5 1 1 A 76 76 HIS C C 76 174.500 175.731 -1.231 1
1 973 . 5 1 1 A 76 76 HIS CA C 76 55.900 59.118 -3.218 1
1 974 . 5 1 1 A 76 76 HIS CB C 76 29.300 30.777 -1.477 1
1 975 . 5 1 1 A 76 76 HIS N N 76 118.300 115.965 2.335 1
1 976 . 5 1 1 A 77 77 HIS H H 77 8.400 7.970 0.430 1
1 977 . 5 1 1 A 77 77 HIS HA H 77 4.640 4.893 -0.253 1
1 980 . 5 1 1 A 77 77 HIS C C 77 173.700 173.850 -0.150 1
1 981 . 5 1 1 A 77 77 HIS CA C 77 55.700 54.707 0.993 1
1 982 . 5 1 1 A 77 77 HIS CB C 77 29.700 31.514 -1.814 1
1 983 . 5 1 1 A 77 77 HIS N N 77 119.300 117.930 1.370 1
1 984 . 5 1 1 A 78 78 HIS H H 78 8.330 8.809 -0.479 1
1 985 . 5 1 1 A 78 78 HIS CA C 78 57.200 54.560 2.640 1
1 986 . 5 1 1 A 78 78 HIS CB C 78 29.900 34.088 -4.188 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 4.140 4.359 -0.219 1
1 5 . 6 1 1 A 2 2 ALA C C 2 173.800 177.419 -3.619 1
1 6 . 6 1 1 A 2 2 ALA CA C 2 51.800 53.534 -1.734 1
1 7 . 6 1 1 A 2 2 ALA CB C 2 19.600 20.572 -0.972 1
1 8 . 6 1 1 A 3 3 ILE H H 3 8.540 7.960 0.580 1
1 9 . 6 1 1 A 3 3 ILE HA H 3 4.190 3.774 0.416 1
1 19 . 6 1 1 A 3 3 ILE C C 3 176.000 175.075 0.925 1
1 20 . 6 1 1 A 3 3 ILE CA C 3 61.300 61.553 -0.253 1
1 21 . 6 1 1 A 3 3 ILE CB C 3 38.800 36.785 2.015 1
1 25 . 6 1 1 A 3 3 ILE N N 3 120.500 114.631 5.869 1
1 26 . 6 1 1 A 4 4 GLN H H 4 8.570 8.489 0.081 1
1 27 . 6 1 1 A 4 4 GLN HA H 4 4.400 4.719 -0.319 1
1 34 . 6 1 1 A 4 4 GLN C C 4 175.700 176.592 -0.892 1
1 35 . 6 1 1 A 4 4 GLN CA C 4 55.800 54.667 1.133 1
1 36 . 6 1 1 A 4 4 GLN CB C 4 29.600 28.982 0.618 1
1 39 . 6 1 1 A 4 4 GLN N N 4 125.100 125.393 -0.293 1
1 41 . 6 1 1 A 5 5 SER H H 5 8.440 9.000 -0.560 1
1 42 . 6 1 1 A 5 5 SER HA H 5 4.420 4.211 0.209 1
1 45 . 6 1 1 A 5 5 SER C C 5 174.300 174.801 -0.501 1
1 46 . 6 1 1 A 5 5 SER CA C 5 58.200 59.123 -0.923 1
1 47 . 6 1 1 A 5 5 SER CB C 5 64.000 60.913 3.087 1
1 48 . 6 1 1 A 5 5 SER N N 5 118.100 119.755 -1.655 1
1 49 . 6 1 1 A 6 6 LYS H H 6 8.320 8.338 -0.018 1
1 50 . 6 1 1 A 6 6 LYS HA H 6 4.110 4.093 0.017 1
1 59 . 6 1 1 A 6 6 LYS C C 6 176.000 175.120 0.880 1
1 60 . 6 1 1 A 6 6 LYS CA C 6 57.200 58.327 -1.127 1
1 61 . 6 1 1 A 6 6 LYS CB C 6 33.100 32.107 0.993 1
1 65 . 6 1 1 A 6 6 LYS N N 6 123.600 120.086 3.514 1
1 66 . 6 1 1 A 7 7 TYR H H 7 8.000 8.477 -0.477 1
1 67 . 6 1 1 A 7 7 TYR HA H 7 4.800 4.774 0.026 1
1 74 . 6 1 1 A 7 7 TYR C C 7 175.800 175.697 0.103 1
1 75 . 6 1 1 A 7 7 TYR CA C 7 57.000 58.059 -1.059 1
1 76 . 6 1 1 A 7 7 TYR CB C 7 39.900 40.282 -0.382 1
1 81 . 6 1 1 A 7 7 TYR N N 7 118.900 118.512 0.388 1
1 82 . 6 1 1 A 8 8 SER H H 8 8.770 8.928 -0.158 1
1 83 . 6 1 1 A 8 8 SER HA H 8 4.510 4.666 -0.156 1
1 86 . 6 1 1 A 8 8 SER C C 8 175.000 175.749 -0.749 1
1 87 . 6 1 1 A 8 8 SER CA C 8 57.500 57.763 -0.263 1
1 88 . 6 1 1 A 8 8 SER CB C 8 64.700 64.641 0.059 1
1 89 . 6 1 1 A 8 8 SER N N 8 118.600 116.873 1.727 1
1 90 . 6 1 1 A 9 9 ASN H H 9 8.910 8.940 -0.030 1
1 91 . 6 1 1 A 9 9 ASN HA H 9 4.540 4.394 0.146 1
1 96 . 6 1 1 A 9 9 ASN C C 9 177.200 177.429 -0.229 1
1 97 . 6 1 1 A 9 9 ASN CA C 9 55.900 57.220 -1.320 1
1 98 . 6 1 1 A 9 9 ASN CB C 9 38.200 38.016 0.184 1
1 100 . 6 1 1 A 9 9 ASN N N 9 121.400 120.910 0.490 1
1 102 . 6 1 1 A 10 10 THR H H 10 8.180 8.255 -0.075 1
1 103 . 6 1 1 A 10 10 THR HA H 10 4.070 3.864 0.206 1
1 108 . 6 1 1 A 10 10 THR C C 10 176.600 176.469 0.131 1
1 109 . 6 1 1 A 10 10 THR CA C 10 65.300 67.170 -1.870 1
1 110 . 6 1 1 A 10 10 THR CB C 10 68.800 68.718 0.082 1
1 112 . 6 1 1 A 10 10 THR N N 10 113.500 116.389 -2.889 1
1 113 . 6 1 1 A 11 11 GLN H H 11 7.950 8.004 -0.054 1
1 114 . 6 1 1 A 11 11 GLN HA H 11 4.160 3.990 0.170 1
1 121 . 6 1 1 A 11 11 GLN C C 11 178.400 178.559 -0.159 1
1 122 . 6 1 1 A 11 11 GLN CA C 11 59.000 58.902 0.098 1
1 123 . 6 1 1 A 11 11 GLN CB C 11 29.200 28.779 0.421 1
1 126 . 6 1 1 A 11 11 GLN N N 11 122.500 121.236 1.264 1
1 128 . 6 1 1 A 12 12 VAL H H 12 7.850 7.952 -0.102 1
1 129 . 6 1 1 A 12 12 VAL HA H 12 3.540 3.515 0.025 1
1 137 . 6 1 1 A 12 12 VAL C C 12 177.400 177.630 -0.230 1
1 138 . 6 1 1 A 12 12 VAL CA C 12 66.400 66.472 -0.072 1
1 139 . 6 1 1 A 12 12 VAL CB C 12 32.300 31.783 0.517 1
1 142 . 6 1 1 A 12 12 VAL N N 12 119.000 119.477 -0.477 1
1 143 . 6 1 1 A 13 13 GLU H H 13 8.550 9.038 -0.488 1
1 144 . 6 1 1 A 13 13 GLU HA H 13 3.910 3.975 -0.065 1
1 149 . 6 1 1 A 13 13 GLU C C 13 179.500 178.738 0.762 1
1 150 . 6 1 1 A 13 13 GLU CA C 13 59.700 59.687 0.013 1
1 151 . 6 1 1 A 13 13 GLU CB C 13 29.100 29.485 -0.385 1
1 153 . 6 1 1 A 13 13 GLU N N 13 118.300 120.737 -2.437 1
1 154 . 6 1 1 A 14 14 SER H H 14 8.080 8.524 -0.444 1
1 155 . 6 1 1 A 14 14 SER HA H 14 4.260 4.178 0.082 1
1 158 . 6 1 1 A 14 14 SER C C 14 176.200 177.564 -1.364 1
1 159 . 6 1 1 A 14 14 SER CA C 14 61.700 61.440 0.260 1
1 160 . 6 1 1 A 14 14 SER CB C 14 62.800 62.591 0.209 1
1 161 . 6 1 1 A 14 14 SER N N 14 114.600 115.700 -1.100 1
1 162 . 6 1 1 A 15 15 LEU H H 15 7.110 7.827 -0.717 1
1 163 . 6 1 1 A 15 15 LEU HA H 15 3.690 4.064 -0.374 1
1 173 . 6 1 1 A 15 15 LEU C C 15 177.800 179.280 -1.480 1
1 174 . 6 1 1 A 15 15 LEU CA C 15 57.700 57.988 -0.288 1
1 175 . 6 1 1 A 15 15 LEU CB C 15 42.300 41.695 0.605 1
1 179 . 6 1 1 A 15 15 LEU N N 15 122.200 123.492 -1.292 1
1 180 . 6 1 1 A 16 16 ILE H H 16 8.030 8.464 -0.434 1
1 181 . 6 1 1 A 16 16 ILE HA H 16 3.220 3.667 -0.447 1
1 191 . 6 1 1 A 16 16 ILE C C 16 177.200 177.773 -0.573 1
1 192 . 6 1 1 A 16 16 ILE CA C 16 66.000 65.933 0.067 1
1 193 . 6 1 1 A 16 16 ILE CB C 16 39.100 37.843 1.257 1
1 197 . 6 1 1 A 16 16 ILE N N 16 117.900 119.415 -1.515 1
1 198 . 6 1 1 A 17 17 ALA H H 17 7.960 8.460 -0.500 1
1 199 . 6 1 1 A 17 17 ALA HA H 17 3.930 3.943 -0.013 1
1 203 . 6 1 1 A 17 17 ALA C C 17 180.600 179.361 1.239 1
1 204 . 6 1 1 A 17 17 ALA CA C 17 55.400 55.886 -0.486 1
1 205 . 6 1 1 A 17 17 ALA CB C 17 18.000 18.353 -0.353 1
1 206 . 6 1 1 A 17 17 ALA N N 17 118.300 122.382 -4.082 1
1 207 . 6 1 1 A 18 18 GLU H H 18 7.630 7.819 -0.189 1
1 208 . 6 1 1 A 18 18 GLU HA H 18 4.030 4.087 -0.057 1
1 213 . 6 1 1 A 18 18 GLU C C 18 179.400 178.972 0.428 1
1 214 . 6 1 1 A 18 18 GLU CA C 18 59.800 59.123 0.677 1
1 215 . 6 1 1 A 18 18 GLU CB C 18 30.300 29.351 0.949 1
1 217 . 6 1 1 A 18 18 GLU N N 18 116.300 118.893 -2.593 1
1 218 . 6 1 1 A 19 19 ILE H H 19 8.110 7.608 0.502 1
1 219 . 6 1 1 A 19 19 ILE HA H 19 3.590 3.691 -0.101 1
1 229 . 6 1 1 A 19 19 ILE C C 19 177.800 178.527 -0.727 1
1 230 . 6 1 1 A 19 19 ILE CA C 19 66.500 64.977 1.523 1
1 231 . 6 1 1 A 19 19 ILE CB C 19 37.500 37.434 0.066 1
1 235 . 6 1 1 A 19 19 ILE N N 19 121.100 120.092 1.008 1
1 236 . 6 1 1 A 20 20 LEU H H 20 8.480 8.047 0.433 1
1 237 . 6 1 1 A 20 20 LEU HA H 20 4.020 4.087 -0.067 1
1 247 . 6 1 1 A 20 20 LEU C C 20 180.500 179.069 1.431 1
1 248 . 6 1 1 A 20 20 LEU CA C 20 58.600 58.045 0.555 1
1 249 . 6 1 1 A 20 20 LEU CB C 20 40.400 41.769 -1.369 1
1 253 . 6 1 1 A 20 20 LEU N N 20 118.300 120.401 -2.101 1
1 254 . 6 1 1 A 21 21 VAL H H 21 7.810 8.341 -0.531 1
1 255 . 6 1 1 A 21 21 VAL HA H 21 3.770 3.555 0.215 1
1 263 . 6 1 1 A 21 21 VAL C C 21 178.200 178.429 -0.229 1
1 264 . 6 1 1 A 21 21 VAL CA C 21 66.800 66.539 0.261 1
1 265 . 6 1 1 A 21 21 VAL CB C 21 31.600 31.522 0.078 1
1 268 . 6 1 1 A 21 21 VAL N N 21 119.700 119.479 0.221 1
1 269 . 6 1 1 A 22 22 VAL H H 22 7.530 8.044 -0.514 1
1 270 . 6 1 1 A 22 22 VAL HA H 22 3.610 3.583 0.027 1
1 278 . 6 1 1 A 22 22 VAL C C 22 178.500 178.009 0.491 1
1 279 . 6 1 1 A 22 22 VAL CA C 22 67.300 66.836 0.464 1
1 280 . 6 1 1 A 22 22 VAL CB C 22 31.500 31.659 -0.159 1
1 283 . 6 1 1 A 22 22 VAL N N 22 121.400 120.703 0.697 1
1 284 . 6 1 1 A 23 23 LEU H H 23 7.610 7.959 -0.349 1
1 285 . 6 1 1 A 23 23 LEU HA H 23 3.880 3.913 -0.033 1
1 295 . 6 1 1 A 23 23 LEU C C 23 179.700 179.104 0.596 1
1 296 . 6 1 1 A 23 23 LEU CA C 23 58.400 58.666 -0.266 1
1 297 . 6 1 1 A 23 23 LEU CB C 23 40.900 41.706 -0.806 1
1 301 . 6 1 1 A 23 23 LEU N N 23 116.800 118.766 -1.966 1
1 302 . 6 1 1 A 24 24 GLU H H 24 8.160 8.269 -0.109 1
1 303 . 6 1 1 A 24 24 GLU HA H 24 4.170 3.908 0.262 1
1 308 . 6 1 1 A 24 24 GLU C C 24 180.900 179.591 1.309 1
1 309 . 6 1 1 A 24 24 GLU CA C 24 59.000 60.007 -1.007 1
1 310 . 6 1 1 A 24 24 GLU CB C 24 29.700 29.490 0.210 1
1 312 . 6 1 1 A 24 24 GLU N N 24 119.200 118.563 0.637 1
1 313 . 6 1 1 A 25 25 LYS H H 25 8.980 8.267 0.713 1
1 314 . 6 1 1 A 25 25 LYS HA H 25 4.050 4.019 0.031 1
1 323 . 6 1 1 A 25 25 LYS C C 25 178.600 177.878 0.722 1
1 324 . 6 1 1 A 25 25 LYS CA C 25 59.300 58.843 0.457 1
1 325 . 6 1 1 A 25 25 LYS CB C 25 32.100 31.984 0.116 1
1 329 . 6 1 1 A 25 25 LYS N N 25 122.900 119.921 2.979 1
1 330 . 6 1 1 A 26 26 HIS H H 26 7.400 7.495 -0.095 1
1 331 . 6 1 1 A 26 26 HIS HA H 26 4.460 4.611 -0.151 1
1 336 . 6 1 1 A 26 26 HIS C C 26 173.600 174.541 -0.941 1
1 337 . 6 1 1 A 26 26 HIS CA C 26 56.500 55.565 0.935 1
1 338 . 6 1 1 A 26 26 HIS CB C 26 29.200 30.116 -0.916 1
1 341 . 6 1 1 A 26 26 HIS N N 26 113.800 114.210 -0.410 1
1 342 . 6 1 1 A 27 27 LYS H H 27 8.200 8.080 0.120 1
1 343 . 6 1 1 A 27 27 LYS HA H 27 3.950 3.848 0.102 1
1 352 . 6 1 1 A 27 27 LYS C C 27 176.500 175.297 1.203 1
1 353 . 6 1 1 A 27 27 LYS CA C 27 56.600 57.639 -1.039 1
1 354 . 6 1 1 A 27 27 LYS CB C 27 29.600 31.168 -1.568 1
1 358 . 6 1 1 A 27 27 LYS N N 27 119.500 118.991 0.509 1
1 359 . 6 1 1 A 28 28 ALA H H 28 7.760 7.472 0.288 1
1 360 . 6 1 1 A 28 28 ALA HA H 28 4.490 4.546 -0.056 1
1 364 . 6 1 1 A 28 28 ALA CA C 28 51.000 50.498 0.502 1
1 365 . 6 1 1 A 28 28 ALA CB C 28 19.200 18.999 0.201 1
1 366 . 6 1 1 A 28 28 ALA N N 28 121.500 120.621 0.879 1
1 367 . 6 1 1 A 29 29 PRO HA H 29 4.720 4.556 0.164 1
1 374 . 6 1 1 A 29 29 PRO C C 29 177.400 177.608 -0.208 1
1 375 . 6 1 1 A 29 29 PRO CA C 29 62.100 62.668 -0.568 1
1 376 . 6 1 1 A 29 29 PRO CB C 29 33.000 32.636 0.364 1
1 379 . 6 1 1 A 30 30 THR H H 30 8.830 8.383 0.447 1
1 380 . 6 1 1 A 30 30 THR HA H 30 3.680 3.941 -0.261 1
1 385 . 6 1 1 A 30 30 THR C C 30 175.200 175.874 -0.674 1
1 386 . 6 1 1 A 30 30 THR CA C 30 67.400 65.570 1.830 1
1 387 . 6 1 1 A 30 30 THR CB C 30 68.500 68.425 0.075 1
1 389 . 6 1 1 A 30 30 THR N N 30 120.400 118.330 2.070 1
1 390 . 6 1 1 A 31 31 ASP H H 31 8.880 8.286 0.594 1
1 391 . 6 1 1 A 31 31 ASP HA H 31 4.220 4.297 -0.077 1
1 394 . 6 1 1 A 31 31 ASP C C 31 179.000 178.500 0.500 1
1 395 . 6 1 1 A 31 31 ASP CA C 31 57.400 57.673 -0.273 1
1 396 . 6 1 1 A 31 31 ASP CB C 31 38.700 41.484 -2.784 1
1 397 . 6 1 1 A 31 31 ASP N N 31 118.600 121.017 -2.417 1
1 398 . 6 1 1 A 32 32 LEU H H 32 7.540 7.811 -0.271 1
1 399 . 6 1 1 A 32 32 LEU HA H 32 3.970 4.128 -0.158 1
1 409 . 6 1 1 A 32 32 LEU C C 32 178.100 178.794 -0.694 1
1 410 . 6 1 1 A 32 32 LEU CA C 32 57.500 57.136 0.364 1
1 411 . 6 1 1 A 32 32 LEU CB C 32 40.600 41.476 -0.876 1
1 415 . 6 1 1 A 32 32 LEU N N 32 124.300 121.029 3.271 1
1 416 . 6 1 1 A 33 33 SER H H 33 8.420 8.304 0.116 1
1 417 . 6 1 1 A 33 33 SER HA H 33 3.860 4.051 -0.191 1
1 420 . 6 1 1 A 33 33 SER C C 33 175.900 176.057 -0.157 1
1 421 . 6 1 1 A 33 33 SER CA C 33 63.100 62.349 0.751 1
1 422 . 6 1 1 A 33 33 SER CB C 33 62.900 63.193 -0.293 1
1 423 . 6 1 1 A 33 33 SER N N 33 116.000 116.554 -0.554 1
1 424 . 6 1 1 A 34 34 LEU H H 34 8.400 8.517 -0.117 1
1 425 . 6 1 1 A 34 34 LEU HA H 34 4.010 4.024 -0.014 1
1 435 . 6 1 1 A 34 34 LEU C C 34 179.500 178.788 0.712 1
1 436 . 6 1 1 A 34 34 LEU CA C 34 58.700 57.926 0.774 1
1 437 . 6 1 1 A 34 34 LEU CB C 34 41.500 41.541 -0.041 1
1 441 . 6 1 1 A 34 34 LEU N N 34 120.400 120.878 -0.478 1
1 442 . 6 1 1 A 35 35 MET H H 35 7.970 8.225 -0.255 1
1 443 . 6 1 1 A 35 35 MET HA H 35 4.210 4.273 -0.063 1
1 451 . 6 1 1 A 35 35 MET C C 35 178.900 177.862 1.038 1
1 452 . 6 1 1 A 35 35 MET CA C 35 59.100 58.761 0.339 1
1 453 . 6 1 1 A 35 35 MET CB C 35 33.100 32.113 0.987 1
1 456 . 6 1 1 A 35 35 MET N N 35 120.300 118.621 1.679 1
1 457 . 6 1 1 A 36 36 ALA H H 36 8.710 8.040 0.670 1
1 458 . 6 1 1 A 36 36 ALA HA H 36 3.900 4.047 -0.147 1
1 462 . 6 1 1 A 36 36 ALA C C 36 179.700 180.147 -0.447 1
1 463 . 6 1 1 A 36 36 ALA CA C 36 55.400 55.086 0.314 1
1 464 . 6 1 1 A 36 36 ALA CB C 36 18.600 18.396 0.204 1
1 465 . 6 1 1 A 36 36 ALA N N 36 121.700 121.338 0.362 1
1 466 . 6 1 1 A 37 37 LEU H H 37 8.750 8.670 0.080 1
1 467 . 6 1 1 A 37 37 LEU HA H 37 3.980 3.933 0.047 1
1 477 . 6 1 1 A 37 37 LEU C C 37 179.600 179.144 0.456 1
1 478 . 6 1 1 A 37 37 LEU CA C 37 59.000 57.813 1.187 1
1 479 . 6 1 1 A 37 37 LEU CB C 37 42.000 41.838 0.162 1
1 483 . 6 1 1 A 37 37 LEU N N 37 118.100 119.045 -0.945 1
1 484 . 6 1 1 A 38 38 GLY H H 38 8.780 8.773 0.007 1
1 485 . 6 1 1 A 38 38 GLY HA2 H 38 3.650 3.741 -0.091 1
1 486 . 6 1 1 A 38 38 GLY HA3 H 38 3.940 3.754 0.186 1
1 487 . 6 1 1 A 38 38 GLY C C 38 175.600 175.804 -0.204 1
1 488 . 6 1 1 A 38 38 GLY CA C 38 48.300 47.758 0.542 1
1 489 . 6 1 1 A 38 38 GLY N N 38 105.600 105.943 -0.343 1
1 490 . 6 1 1 A 39 39 ASN H H 39 8.180 7.619 0.561 1
1 491 . 6 1 1 A 39 39 ASN HA H 39 4.550 4.487 0.063 1
1 496 . 6 1 1 A 39 39 ASN C C 39 178.400 178.027 0.373 1
1 497 . 6 1 1 A 39 39 ASN CA C 39 56.000 56.073 -0.073 1
1 498 . 6 1 1 A 39 39 ASN CB C 39 39.200 38.004 1.196 1
1 500 . 6 1 1 A 39 39 ASN N N 39 120.000 119.695 0.305 1
1 502 . 6 1 1 A 40 40 CYS H H 40 8.420 8.125 0.295 1
1 503 . 6 1 1 A 40 40 CYS HA H 40 4.010 4.028 -0.018 1
1 506 . 6 1 1 A 40 40 CYS C C 40 176.000 176.861 -0.861 1
1 507 . 6 1 1 A 40 40 CYS CA C 40 65.300 62.561 2.739 1
1 508 . 6 1 1 A 40 40 CYS CB C 40 27.200 26.456 0.744 1
1 509 . 6 1 1 A 40 40 CYS N N 40 120.200 119.329 0.871 1
1 510 . 6 1 1 A 41 41 VAL H H 41 7.830 8.336 -0.506 1
1 511 . 6 1 1 A 41 41 VAL HA H 41 3.250 3.410 -0.160 1
1 519 . 6 1 1 A 41 41 VAL C C 41 177.500 178.001 -0.501 1
1 520 . 6 1 1 A 41 41 VAL CA C 41 67.500 66.845 0.655 1
1 521 . 6 1 1 A 41 41 VAL CB C 41 30.800 31.606 -0.806 1
1 524 . 6 1 1 A 41 41 VAL N N 41 119.400 120.242 -0.842 1
1 525 . 6 1 1 A 42 42 THR H H 42 8.270 7.778 0.492 1
1 526 . 6 1 1 A 42 42 THR HA H 42 3.520 3.857 -0.337 1
1 531 . 6 1 1 A 42 42 THR C C 42 176.200 176.309 -0.109 1
1 532 . 6 1 1 A 42 42 THR CA C 42 67.800 66.325 1.475 1
1 533 . 6 1 1 A 42 42 THR CB C 42 67.800 68.438 -0.638 1
1 535 . 6 1 1 A 42 42 THR N N 42 113.600 115.887 -2.287 1
1 536 . 6 1 1 A 43 43 HIS H H 43 8.250 7.969 0.281 1
1 537 . 6 1 1 A 43 43 HIS HA H 43 4.310 4.217 0.093 1
1 542 . 6 1 1 A 43 43 HIS C C 43 177.200 176.983 0.217 1
1 543 . 6 1 1 A 43 43 HIS CA C 43 59.300 59.389 -0.089 1
1 544 . 6 1 1 A 43 43 HIS CB C 43 28.900 29.762 -0.862 1
1 547 . 6 1 1 A 43 43 HIS N N 43 120.000 122.259 -2.259 1
1 550 . 6 1 1 A 44 44 LEU H H 44 8.070 7.920 0.150 1
1 551 . 6 1 1 A 44 44 LEU HA H 44 3.960 3.859 0.101 1
1 561 . 6 1 1 A 44 44 LEU C C 44 179.300 179.505 -0.205 1
1 562 . 6 1 1 A 44 44 LEU CA C 44 58.400 57.597 0.803 1
1 563 . 6 1 1 A 44 44 LEU CB C 44 42.200 41.169 1.031 1
1 567 . 6 1 1 A 44 44 LEU N N 44 119.400 119.845 -0.445 1
1 568 . 6 1 1 A 45 45 LEU H H 45 8.410 7.895 0.515 1
1 569 . 6 1 1 A 45 45 LEU HA H 45 3.850 3.929 -0.079 1
1 579 . 6 1 1 A 45 45 LEU C C 45 178.700 178.517 0.183 1
1 580 . 6 1 1 A 45 45 LEU CA C 45 58.200 57.463 0.737 1
1 581 . 6 1 1 A 45 45 LEU CB C 45 41.800 40.962 0.838 1
1 585 . 6 1 1 A 45 45 LEU N N 45 118.100 119.579 -1.479 1
1 586 . 6 1 1 A 46 46 GLU H H 46 8.120 8.356 -0.236 1
1 587 . 6 1 1 A 46 46 GLU HA H 46 3.740 4.086 -0.346 1
1 592 . 6 1 1 A 46 46 GLU C C 46 178.000 177.158 0.842 1
1 593 . 6 1 1 A 46 46 GLU CA C 46 58.900 58.196 0.704 1
1 594 . 6 1 1 A 46 46 GLU CB C 46 29.700 29.111 0.589 1
1 596 . 6 1 1 A 46 46 GLU N N 46 115.000 117.759 -2.759 1
1 597 . 6 1 1 A 47 47 ARG H H 47 7.740 7.515 0.225 1
1 598 . 6 1 1 A 47 47 ARG HA H 47 4.270 4.322 -0.052 1
1 606 . 6 1 1 A 47 47 ARG C C 47 178.500 177.861 0.639 1
1 607 . 6 1 1 A 47 47 ARG CA C 47 57.000 57.356 -0.356 1
1 608 . 6 1 1 A 47 47 ARG CB C 47 31.600 31.258 0.342 1
1 611 . 6 1 1 A 47 47 ARG N N 47 114.000 119.022 -5.022 1
1 613 . 6 1 1 A 48 48 LYS H H 48 8.210 8.029 0.181 1
1 614 . 6 1 1 A 48 48 LYS HA H 48 4.620 4.329 0.291 1
1 623 . 6 1 1 A 48 48 LYS C C 48 176.400 175.932 0.468 1
1 624 . 6 1 1 A 48 48 LYS CA C 48 55.500 56.921 -1.421 1
1 625 . 6 1 1 A 48 48 LYS CB C 48 34.500 33.043 1.457 1
1 629 . 6 1 1 A 48 48 LYS N N 48 114.000 117.102 -3.102 1
1 630 . 6 1 1 A 49 49 VAL H H 49 7.630 7.213 0.417 1
1 631 . 6 1 1 A 49 49 VAL HA H 49 4.710 4.333 0.377 1
1 639 . 6 1 1 A 49 49 VAL CA C 49 59.400 58.570 0.830 1
1 640 . 6 1 1 A 49 49 VAL CB C 49 33.600 33.766 -0.166 1
1 643 . 6 1 1 A 49 49 VAL N N 49 121.800 118.740 3.060 1
1 644 . 6 1 1 A 50 50 PRO HA H 50 4.460 4.635 -0.175 1
1 651 . 6 1 1 A 50 50 PRO C C 50 177.900 177.730 0.170 1
1 652 . 6 1 1 A 50 50 PRO CA C 50 63.200 62.750 0.450 1
1 653 . 6 1 1 A 50 50 PRO CB C 50 32.900 33.024 -0.124 1
1 656 . 6 1 1 A 51 51 SER H H 51 8.950 8.676 0.274 1
1 657 . 6 1 1 A 51 51 SER HA H 51 3.910 4.177 -0.267 1
1 660 . 6 1 1 A 51 51 SER C C 51 176.300 176.645 -0.345 1
1 661 . 6 1 1 A 51 51 SER CA C 51 62.800 61.361 1.439 1
1 662 . 6 1 1 A 51 51 SER CB C 51 62.700 62.815 -0.115 1
1 663 . 6 1 1 A 51 51 SER N N 51 119.000 118.883 0.117 1
1 664 . 6 1 1 A 52 52 GLU H H 52 9.480 8.323 1.157 1
1 665 . 6 1 1 A 52 52 GLU HA H 52 4.220 4.052 0.168 1
1 670 . 6 1 1 A 52 52 GLU C C 52 177.000 178.267 -1.267 1
1 671 . 6 1 1 A 52 52 GLU CA C 52 59.200 59.373 -0.173 1
1 672 . 6 1 1 A 52 52 GLU CB C 52 28.700 29.319 -0.619 1
1 674 . 6 1 1 A 52 52 GLU N N 52 118.900 122.468 -3.568 1
1 675 . 6 1 1 A 53 53 SER H H 53 7.770 7.609 0.161 1
1 676 . 6 1 1 A 53 53 SER HA H 53 4.940 4.474 0.466 1
1 679 . 6 1 1 A 53 53 SER C C 53 174.200 175.816 -1.616 1
1 680 . 6 1 1 A 53 53 SER CA C 53 58.200 59.566 -1.366 1
1 681 . 6 1 1 A 53 53 SER CB C 53 64.800 63.933 0.867 1
1 682 . 6 1 1 A 53 53 SER N N 53 112.500 115.289 -2.789 1
1 683 . 6 1 1 A 54 54 ARG H H 54 7.380 7.934 -0.554 1
1 684 . 6 1 1 A 54 54 ARG HA H 54 3.630 3.910 -0.280 1
1 696 . 6 1 1 A 54 54 ARG C C 54 177.200 178.319 -1.119 1
1 697 . 6 1 1 A 54 54 ARG CA C 54 61.400 59.822 1.578 1
1 698 . 6 1 1 A 54 54 ARG CB C 54 31.200 29.883 1.317 1
1 701 . 6 1 1 A 54 54 ARG N N 54 122.100 122.699 -0.599 1
1 703 . 6 1 1 A 55 55 GLN H H 55 9.010 7.948 1.062 1
1 704 . 6 1 1 A 55 55 GLN HA H 55 3.840 4.083 -0.243 1
1 711 . 6 1 1 A 55 55 GLN C C 55 178.000 177.745 0.255 1
1 712 . 6 1 1 A 55 55 GLN CA C 55 59.700 58.560 1.140 1
1 713 . 6 1 1 A 55 55 GLN CB C 55 28.100 28.521 -0.421 1
1 716 . 6 1 1 A 55 55 GLN N N 55 118.000 118.417 -0.417 1
1 718 . 6 1 1 A 56 56 ALA H H 56 8.280 8.000 0.280 1
1 719 . 6 1 1 A 56 56 ALA HA H 56 4.190 4.082 0.108 1
1 723 . 6 1 1 A 56 56 ALA C C 56 181.200 179.771 1.429 1
1 724 . 6 1 1 A 56 56 ALA CA C 56 55.200 55.101 0.099 1
1 725 . 6 1 1 A 56 56 ALA CB C 56 17.900 18.440 -0.540 1
1 726 . 6 1 1 A 56 56 ALA N N 56 122.300 122.098 0.202 1
1 727 . 6 1 1 A 57 57 VAL H H 57 8.150 8.539 -0.389 1
1 728 . 6 1 1 A 57 57 VAL HA H 57 3.740 3.599 0.141 1
1 736 . 6 1 1 A 57 57 VAL C C 57 178.900 178.125 0.775 1
1 737 . 6 1 1 A 57 57 VAL CA C 57 66.700 66.594 0.106 1
1 738 . 6 1 1 A 57 57 VAL CB C 57 31.700 31.384 0.316 1
1 741 . 6 1 1 A 57 57 VAL N N 57 119.600 117.990 1.610 1
1 742 . 6 1 1 A 58 58 ALA H H 58 8.370 7.825 0.545 1
1 743 . 6 1 1 A 58 58 ALA HA H 58 3.910 3.963 -0.053 1
1 747 . 6 1 1 A 58 58 ALA C C 58 179.500 180.048 -0.548 1
1 748 . 6 1 1 A 58 58 ALA CA C 58 55.800 55.971 -0.171 1
1 749 . 6 1 1 A 58 58 ALA CB C 58 18.500 18.221 0.279 1
1 750 . 6 1 1 A 58 58 ALA N N 58 123.000 122.078 0.922 1
1 751 . 6 1 1 A 59 59 GLU H H 59 8.630 7.828 0.802 1
1 752 . 6 1 1 A 59 59 GLU HA H 59 4.100 4.021 0.079 1
1 757 . 6 1 1 A 59 59 GLU C C 59 179.400 179.413 -0.013 1
1 758 . 6 1 1 A 59 59 GLU CA C 59 59.600 59.740 -0.140 1
1 759 . 6 1 1 A 59 59 GLU CB C 59 29.300 29.733 -0.433 1
1 761 . 6 1 1 A 59 59 GLU N N 59 118.400 117.771 0.629 1
1 762 . 6 1 1 A 60 60 GLN H H 60 8.280 8.083 0.197 1
1 763 . 6 1 1 A 60 60 GLN HA H 60 4.090 4.096 -0.006 1
1 770 . 6 1 1 A 60 60 GLN C C 60 178.700 178.543 0.157 1
1 771 . 6 1 1 A 60 60 GLN CA C 60 59.100 58.916 0.184 1
1 772 . 6 1 1 A 60 60 GLN CB C 60 28.100 28.273 -0.173 1
1 775 . 6 1 1 A 60 60 GLN N N 60 120.400 118.645 1.755 1
1 777 . 6 1 1 A 61 61 PHE H H 61 8.400 8.903 -0.503 1
1 778 . 6 1 1 A 61 61 PHE HA H 61 4.160 4.288 -0.128 1
1 786 . 6 1 1 A 61 61 PHE C C 61 177.600 177.710 -0.110 1
1 787 . 6 1 1 A 61 61 PHE CA C 61 61.400 61.867 -0.467 1
1 788 . 6 1 1 A 61 61 PHE CB C 61 39.100 39.186 -0.086 1
1 794 . 6 1 1 A 61 61 PHE N N 61 122.000 121.712 0.288 1
1 795 . 6 1 1 A 62 62 ALA H H 62 8.620 8.256 0.364 1
1 796 . 6 1 1 A 62 62 ALA HA H 62 3.980 3.958 0.022 1
1 800 . 6 1 1 A 62 62 ALA C C 62 179.700 179.840 -0.140 1
1 801 . 6 1 1 A 62 62 ALA CA C 62 55.500 55.423 0.077 1
1 802 . 6 1 1 A 62 62 ALA CB C 62 18.900 18.163 0.737 1
1 803 . 6 1 1 A 62 62 ALA N N 62 122.000 121.366 0.634 1
1 804 . 6 1 1 A 63 63 LYS H H 63 8.470 8.225 0.245 1
1 805 . 6 1 1 A 63 63 LYS HA H 63 4.050 3.958 0.092 1
1 814 . 6 1 1 A 63 63 LYS C C 63 179.200 179.144 0.056 1
1 815 . 6 1 1 A 63 63 LYS CA C 63 59.600 58.676 0.924 1
1 816 . 6 1 1 A 63 63 LYS CB C 63 32.600 31.122 1.478 1
1 820 . 6 1 1 A 63 63 LYS N N 63 119.500 116.583 2.917 1
1 821 . 6 1 1 A 64 64 ALA H H 64 8.000 7.811 0.189 1
1 822 . 6 1 1 A 64 64 ALA HA H 64 4.100 4.049 0.051 1
1 826 . 6 1 1 A 64 64 ALA C C 64 180.700 180.313 0.387 1
1 827 . 6 1 1 A 64 64 ALA CA C 64 55.000 54.914 0.086 1
1 828 . 6 1 1 A 64 64 ALA CB C 64 17.700 17.959 -0.259 1
1 829 . 6 1 1 A 64 64 ALA N N 64 122.000 122.247 -0.247 1
1 830 . 6 1 1 A 65 65 LEU H H 65 7.830 7.933 -0.103 1
1 831 . 6 1 1 A 65 65 LEU HA H 65 3.950 3.916 0.034 1
1 841 . 6 1 1 A 65 65 LEU C C 65 178.900 178.210 0.690 1
1 842 . 6 1 1 A 65 65 LEU CA C 65 57.800 57.335 0.465 1
1 843 . 6 1 1 A 65 65 LEU CB C 65 41.700 41.392 0.308 1
1 847 . 6 1 1 A 65 65 LEU N N 65 120.600 120.348 0.252 1
1 848 . 6 1 1 A 66 66 ALA H H 66 7.990 8.422 -0.432 1
1 849 . 6 1 1 A 66 66 ALA HA H 66 3.840 3.998 -0.158 1
1 853 . 6 1 1 A 66 66 ALA C C 66 180.300 179.251 1.049 1
1 854 . 6 1 1 A 66 66 ALA CA C 66 55.500 54.983 0.517 1
1 855 . 6 1 1 A 66 66 ALA CB C 66 17.900 18.169 -0.269 1
1 856 . 6 1 1 A 66 66 ALA N N 66 120.900 121.526 -0.626 1
1 857 . 6 1 1 A 67 67 GLN H H 67 8.140 8.209 -0.069 1
1 858 . 6 1 1 A 67 67 GLN HA H 67 4.070 4.016 0.054 1
1 865 . 6 1 1 A 67 67 GLN C C 67 178.400 178.159 0.241 1
1 866 . 6 1 1 A 67 67 GLN CA C 67 58.300 59.061 -0.761 1
1 867 . 6 1 1 A 67 67 GLN CB C 67 28.400 28.692 -0.292 1
1 870 . 6 1 1 A 67 67 GLN N N 67 116.600 118.649 -2.049 1
1 872 . 6 1 1 A 68 68 SER H H 68 8.120 7.991 0.129 1
1 873 . 6 1 1 A 68 68 SER HA H 68 4.220 4.178 0.042 1
1 876 . 6 1 1 A 68 68 SER C C 68 176.500 176.770 -0.270 1
1 877 . 6 1 1 A 68 68 SER CA C 68 61.500 62.679 -1.179 1
1 878 . 6 1 1 A 68 68 SER CB C 68 63.000 63.019 -0.019 1
1 879 . 6 1 1 A 68 68 SER N N 68 116.700 117.165 -0.465 1
1 880 . 6 1 1 A 69 69 VAL H H 69 7.660 7.757 -0.097 1
1 881 . 6 1 1 A 69 69 VAL HA H 69 3.860 3.594 0.266 1
1 889 . 6 1 1 A 69 69 VAL C C 69 177.400 177.979 -0.579 1
1 890 . 6 1 1 A 69 69 VAL CA C 69 64.900 66.709 -1.809 1
1 891 . 6 1 1 A 69 69 VAL CB C 69 31.900 31.676 0.224 1
1 894 . 6 1 1 A 69 69 VAL N N 69 119.800 121.479 -1.679 1
1 895 . 6 1 1 A 70 70 LYS H H 70 7.860 8.249 -0.389 1
1 896 . 6 1 1 A 70 70 LYS HA H 70 4.040 4.054 -0.014 1
1 905 . 6 1 1 A 70 70 LYS C C 70 178.400 179.311 -0.911 1
1 906 . 6 1 1 A 70 70 LYS CA C 70 59.200 59.316 -0.116 1
1 907 . 6 1 1 A 70 70 LYS CB C 70 32.800 32.231 0.569 1
1 911 . 6 1 1 A 70 70 LYS N N 70 121.300 121.314 -0.014 1
1 912 . 6 1 1 A 71 71 SER H H 71 8.390 8.094 0.296 1
1 913 . 6 1 1 A 71 71 SER HA H 71 4.280 4.277 0.003 1
1 916 . 6 1 1 A 71 71 SER C C 71 176.000 176.558 -0.558 1
1 917 . 6 1 1 A 71 71 SER CA C 71 60.700 61.005 -0.305 1
1 918 . 6 1 1 A 71 71 SER CB C 71 63.300 63.246 0.054 1
1 919 . 6 1 1 A 71 71 SER N N 71 114.400 114.644 -0.244 1
1 920 . 6 1 1 A 72 72 ASN H H 72 7.940 8.485 -0.545 1
1 921 . 6 1 1 A 72 72 ASN HA H 72 4.630 4.562 0.068 1
1 926 . 6 1 1 A 72 72 ASN C C 72 176.700 177.715 -1.015 1
1 927 . 6 1 1 A 72 72 ASN CA C 72 55.000 54.964 0.036 1
1 928 . 6 1 1 A 72 72 ASN CB C 72 39.000 38.002 0.998 1
1 930 . 6 1 1 A 72 72 ASN N N 72 119.700 117.058 2.642 1
1 932 . 6 1 1 A 73 73 LEU H H 73 7.900 7.935 -0.035 1
1 933 . 6 1 1 A 73 73 LEU HA H 73 4.180 4.291 -0.111 1
1 943 . 6 1 1 A 73 73 LEU C C 73 178.400 178.496 -0.096 1
1 944 . 6 1 1 A 73 73 LEU CA C 73 56.700 56.969 -0.269 1
1 945 . 6 1 1 A 73 73 LEU CB C 73 42.300 42.634 -0.334 1
1 949 . 6 1 1 A 73 73 LEU N N 73 121.000 122.118 -1.118 1
1 950 . 6 1 1 A 74 74 GLU H H 74 8.060 8.756 -0.696 1
1 951 . 6 1 1 A 74 74 GLU HA H 74 4.120 4.698 -0.578 1
1 956 . 6 1 1 A 74 74 GLU C C 74 177.100 176.420 0.680 1
1 957 . 6 1 1 A 74 74 GLU CA C 74 57.400 56.217 1.183 1
1 958 . 6 1 1 A 74 74 GLU CB C 74 29.900 28.979 0.921 1
1 960 . 6 1 1 A 74 74 GLU N N 74 119.300 116.356 2.944 1
1 961 . 6 1 1 A 75 75 HIS H H 75 8.140 7.804 0.336 1
1 962 . 6 1 1 A 75 75 HIS HA H 75 4.590 4.333 0.257 1
1 966 . 6 1 1 A 75 75 HIS C C 75 174.900 176.162 -1.262 1
1 967 . 6 1 1 A 75 75 HIS CA C 75 56.100 56.917 -0.817 1
1 968 . 6 1 1 A 75 75 HIS CB C 75 29.000 29.660 -0.660 1
1 970 . 6 1 1 A 75 75 HIS N N 75 117.500 121.602 -4.102 1
1 971 . 6 1 1 A 76 76 HIS H H 76 8.240 8.913 -0.673 1
1 972 . 6 1 1 A 76 76 HIS C C 76 174.500 174.097 0.403 1
1 973 . 6 1 1 A 76 76 HIS CA C 76 55.900 57.605 -1.705 1
1 974 . 6 1 1 A 76 76 HIS CB C 76 29.300 29.339 -0.039 1
1 975 . 6 1 1 A 76 76 HIS N N 76 118.300 125.356 -7.056 1
1 976 . 6 1 1 A 77 77 HIS H H 77 8.400 8.153 0.247 1
1 977 . 6 1 1 A 77 77 HIS HA H 77 4.640 4.402 0.238 1
1 980 . 6 1 1 A 77 77 HIS C C 77 173.700 174.705 -1.005 1
1 981 . 6 1 1 A 77 77 HIS CA C 77 55.700 53.984 1.716 1
1 982 . 6 1 1 A 77 77 HIS CB C 77 29.700 28.505 1.195 1
1 983 . 6 1 1 A 77 77 HIS N N 77 119.300 118.587 0.713 1
1 984 . 6 1 1 A 78 78 HIS H H 78 8.330 8.010 0.320 1
1 985 . 6 1 1 A 78 78 HIS CA C 78 57.200 59.418 -2.218 1
1 986 . 6 1 1 A 78 78 HIS CB C 78 29.900 30.473 -0.573 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 4.140 4.842 -0.702 1
1 5 . 7 1 1 A 2 2 ALA C C 2 173.800 176.257 -2.457 1
1 6 . 7 1 1 A 2 2 ALA CA C 2 51.800 51.682 0.118 1
1 7 . 7 1 1 A 2 2 ALA CB C 2 19.600 23.008 -3.408 1
1 8 . 7 1 1 A 3 3 ILE H H 3 8.540 8.580 -0.040 1
1 9 . 7 1 1 A 3 3 ILE HA H 3 4.190 4.271 -0.081 1
1 19 . 7 1 1 A 3 3 ILE C C 3 176.000 174.963 1.037 1
1 20 . 7 1 1 A 3 3 ILE CA C 3 61.300 61.123 0.177 1
1 21 . 7 1 1 A 3 3 ILE CB C 3 38.800 37.654 1.146 1
1 25 . 7 1 1 A 3 3 ILE N N 3 120.500 119.181 1.319 1
1 26 . 7 1 1 A 4 4 GLN H H 4 8.570 7.573 0.997 1
1 27 . 7 1 1 A 4 4 GLN HA H 4 4.400 4.782 -0.382 1
1 34 . 7 1 1 A 4 4 GLN C C 4 175.700 174.789 0.911 1
1 35 . 7 1 1 A 4 4 GLN CA C 4 55.800 53.773 2.027 1
1 36 . 7 1 1 A 4 4 GLN CB C 4 29.600 32.020 -2.420 1
1 39 . 7 1 1 A 4 4 GLN N N 4 125.100 120.134 4.966 1
1 41 . 7 1 1 A 5 5 SER H H 5 8.440 8.966 -0.526 1
1 42 . 7 1 1 A 5 5 SER HA H 5 4.420 4.416 0.004 1
1 45 . 7 1 1 A 5 5 SER C C 5 174.300 174.020 0.280 1
1 46 . 7 1 1 A 5 5 SER CA C 5 58.200 59.943 -1.743 1
1 47 . 7 1 1 A 5 5 SER CB C 5 64.000 63.261 0.739 1
1 48 . 7 1 1 A 5 5 SER N N 5 118.100 117.946 0.154 1
1 49 . 7 1 1 A 6 6 LYS H H 6 8.320 8.825 -0.505 1
1 50 . 7 1 1 A 6 6 LYS HA H 6 4.110 4.120 -0.010 1
1 59 . 7 1 1 A 6 6 LYS C C 6 176.000 175.887 0.113 1
1 60 . 7 1 1 A 6 6 LYS CA C 6 57.200 57.615 -0.415 1
1 61 . 7 1 1 A 6 6 LYS CB C 6 33.100 32.453 0.647 1
1 65 . 7 1 1 A 6 6 LYS N N 6 123.600 126.830 -3.230 1
1 66 . 7 1 1 A 7 7 TYR H H 7 8.000 7.779 0.221 1
1 67 . 7 1 1 A 7 7 TYR HA H 7 4.800 5.222 -0.422 1
1 74 . 7 1 1 A 7 7 TYR C C 7 175.800 175.904 -0.104 1
1 75 . 7 1 1 A 7 7 TYR CA C 7 57.000 56.294 0.706 1
1 76 . 7 1 1 A 7 7 TYR CB C 7 39.900 41.450 -1.550 1
1 81 . 7 1 1 A 7 7 TYR N N 7 118.900 117.984 0.916 1
1 82 . 7 1 1 A 8 8 SER H H 8 8.770 8.986 -0.216 1
1 83 . 7 1 1 A 8 8 SER HA H 8 4.510 4.842 -0.332 1
1 86 . 7 1 1 A 8 8 SER C C 8 175.000 175.939 -0.939 1
1 87 . 7 1 1 A 8 8 SER CA C 8 57.500 57.173 0.327 1
1 88 . 7 1 1 A 8 8 SER CB C 8 64.700 65.141 -0.441 1
1 89 . 7 1 1 A 8 8 SER N N 8 118.600 117.492 1.108 1
1 90 . 7 1 1 A 9 9 ASN H H 9 8.910 9.194 -0.284 1
1 91 . 7 1 1 A 9 9 ASN HA H 9 4.540 4.439 0.101 1
1 96 . 7 1 1 A 9 9 ASN C C 9 177.200 177.375 -0.175 1
1 97 . 7 1 1 A 9 9 ASN CA C 9 55.900 55.938 -0.038 1
1 98 . 7 1 1 A 9 9 ASN CB C 9 38.200 37.305 0.895 1
1 100 . 7 1 1 A 9 9 ASN N N 9 121.400 118.898 2.502 1
1 102 . 7 1 1 A 10 10 THR H H 10 8.180 7.955 0.225 1
1 103 . 7 1 1 A 10 10 THR HA H 10 4.070 4.087 -0.017 1
1 108 . 7 1 1 A 10 10 THR C C 10 176.600 176.156 0.444 1
1 109 . 7 1 1 A 10 10 THR CA C 10 65.300 64.841 0.459 1
1 110 . 7 1 1 A 10 10 THR CB C 10 68.800 68.994 -0.194 1
1 112 . 7 1 1 A 10 10 THR N N 10 113.500 114.612 -1.112 1
1 113 . 7 1 1 A 11 11 GLN H H 11 7.950 7.749 0.201 1
1 114 . 7 1 1 A 11 11 GLN HA H 11 4.160 4.071 0.089 1
1 121 . 7 1 1 A 11 11 GLN C C 11 178.400 178.264 0.136 1
1 122 . 7 1 1 A 11 11 GLN CA C 11 59.000 58.676 0.324 1
1 123 . 7 1 1 A 11 11 GLN CB C 11 29.200 28.786 0.414 1
1 126 . 7 1 1 A 11 11 GLN N N 11 122.500 120.688 1.812 1
1 128 . 7 1 1 A 12 12 VAL H H 12 7.850 7.828 0.022 1
1 129 . 7 1 1 A 12 12 VAL HA H 12 3.540 3.544 -0.004 1
1 137 . 7 1 1 A 12 12 VAL C C 12 177.400 177.754 -0.354 1
1 138 . 7 1 1 A 12 12 VAL CA C 12 66.400 66.725 -0.325 1
1 139 . 7 1 1 A 12 12 VAL CB C 12 32.300 31.429 0.871 1
1 142 . 7 1 1 A 12 12 VAL N N 12 119.000 119.594 -0.594 1
1 143 . 7 1 1 A 13 13 GLU H H 13 8.550 8.278 0.272 1
1 144 . 7 1 1 A 13 13 GLU HA H 13 3.910 3.980 -0.070 1
1 149 . 7 1 1 A 13 13 GLU C C 13 179.500 178.521 0.979 1
1 150 . 7 1 1 A 13 13 GLU CA C 13 59.700 59.556 0.144 1
1 151 . 7 1 1 A 13 13 GLU CB C 13 29.100 29.486 -0.386 1
1 153 . 7 1 1 A 13 13 GLU N N 13 118.300 120.733 -2.433 1
1 154 . 7 1 1 A 14 14 SER H H 14 8.080 8.684 -0.604 1
1 155 . 7 1 1 A 14 14 SER HA H 14 4.260 4.126 0.134 1
1 158 . 7 1 1 A 14 14 SER C C 14 176.200 177.505 -1.305 1
1 159 . 7 1 1 A 14 14 SER CA C 14 61.700 61.606 0.094 1
1 160 . 7 1 1 A 14 14 SER CB C 14 62.800 62.316 0.484 1
1 161 . 7 1 1 A 14 14 SER N N 14 114.600 115.584 -0.984 1
1 162 . 7 1 1 A 15 15 LEU H H 15 7.110 7.938 -0.828 1
1 163 . 7 1 1 A 15 15 LEU HA H 15 3.690 4.030 -0.340 1
1 173 . 7 1 1 A 15 15 LEU C C 15 177.800 179.243 -1.443 1
1 174 . 7 1 1 A 15 15 LEU CA C 15 57.700 57.974 -0.274 1
1 175 . 7 1 1 A 15 15 LEU CB C 15 42.300 41.948 0.352 1
1 179 . 7 1 1 A 15 15 LEU N N 15 122.200 122.882 -0.682 1
1 180 . 7 1 1 A 16 16 ILE H H 16 8.030 8.417 -0.387 1
1 181 . 7 1 1 A 16 16 ILE HA H 16 3.220 3.651 -0.431 1
1 191 . 7 1 1 A 16 16 ILE C C 16 177.200 177.792 -0.592 1
1 192 . 7 1 1 A 16 16 ILE CA C 16 66.000 65.851 0.149 1
1 193 . 7 1 1 A 16 16 ILE CB C 16 39.100 37.761 1.339 1
1 197 . 7 1 1 A 16 16 ILE N N 16 117.900 118.672 -0.772 1
1 198 . 7 1 1 A 17 17 ALA H H 17 7.960 8.869 -0.909 1
1 199 . 7 1 1 A 17 17 ALA HA H 17 3.930 3.979 -0.049 1
1 203 . 7 1 1 A 17 17 ALA C C 17 180.600 179.240 1.360 1
1 204 . 7 1 1 A 17 17 ALA CA C 17 55.400 56.106 -0.706 1
1 205 . 7 1 1 A 17 17 ALA CB C 17 18.000 18.581 -0.581 1
1 206 . 7 1 1 A 17 17 ALA N N 17 118.300 122.241 -3.941 1
1 207 . 7 1 1 A 18 18 GLU H H 18 7.630 7.796 -0.166 1
1 208 . 7 1 1 A 18 18 GLU HA H 18 4.030 4.113 -0.083 1
1 213 . 7 1 1 A 18 18 GLU C C 18 179.400 178.908 0.492 1
1 214 . 7 1 1 A 18 18 GLU CA C 18 59.800 59.090 0.710 1
1 215 . 7 1 1 A 18 18 GLU CB C 18 30.300 29.409 0.891 1
1 217 . 7 1 1 A 18 18 GLU N N 18 116.300 118.635 -2.335 1
1 218 . 7 1 1 A 19 19 ILE H H 19 8.110 7.541 0.569 1
1 219 . 7 1 1 A 19 19 ILE HA H 19 3.590 3.853 -0.263 1
1 229 . 7 1 1 A 19 19 ILE C C 19 177.800 178.014 -0.214 1
1 230 . 7 1 1 A 19 19 ILE CA C 19 66.500 64.448 2.052 1
1 231 . 7 1 1 A 19 19 ILE CB C 19 37.500 37.410 0.090 1
1 235 . 7 1 1 A 19 19 ILE N N 19 121.100 120.089 1.011 1
1 236 . 7 1 1 A 20 20 LEU H H 20 8.480 8.386 0.094 1
1 237 . 7 1 1 A 20 20 LEU HA H 20 4.020 3.944 0.076 1
1 247 . 7 1 1 A 20 20 LEU C C 20 180.500 178.550 1.950 1
1 248 . 7 1 1 A 20 20 LEU CA C 20 58.600 58.037 0.563 1
1 249 . 7 1 1 A 20 20 LEU CB C 20 40.400 41.401 -1.001 1
1 253 . 7 1 1 A 20 20 LEU N N 20 118.300 124.076 -5.776 1
1 254 . 7 1 1 A 21 21 VAL H H 21 7.810 8.351 -0.541 1
1 255 . 7 1 1 A 21 21 VAL HA H 21 3.770 3.620 0.150 1
1 263 . 7 1 1 A 21 21 VAL C C 21 178.200 178.210 -0.010 1
1 264 . 7 1 1 A 21 21 VAL CA C 21 66.800 66.730 0.070 1
1 265 . 7 1 1 A 21 21 VAL CB C 21 31.600 31.527 0.073 1
1 268 . 7 1 1 A 21 21 VAL N N 21 119.700 119.013 0.687 1
1 269 . 7 1 1 A 22 22 VAL H H 22 7.530 7.913 -0.383 1
1 270 . 7 1 1 A 22 22 VAL HA H 22 3.610 3.506 0.104 1
1 278 . 7 1 1 A 22 22 VAL C C 22 178.500 178.143 0.357 1
1 279 . 7 1 1 A 22 22 VAL CA C 22 67.300 67.144 0.156 1
1 280 . 7 1 1 A 22 22 VAL CB C 22 31.500 31.602 -0.102 1
1 283 . 7 1 1 A 22 22 VAL N N 22 121.400 120.140 1.260 1
1 284 . 7 1 1 A 23 23 LEU H H 23 7.610 8.056 -0.446 1
1 285 . 7 1 1 A 23 23 LEU HA H 23 3.880 3.973 -0.093 1
1 295 . 7 1 1 A 23 23 LEU C C 23 179.700 179.329 0.371 1
1 296 . 7 1 1 A 23 23 LEU CA C 23 58.400 58.288 0.112 1
1 297 . 7 1 1 A 23 23 LEU CB C 23 40.900 41.346 -0.446 1
1 301 . 7 1 1 A 23 23 LEU N N 23 116.800 119.028 -2.228 1
1 302 . 7 1 1 A 24 24 GLU H H 24 8.160 8.362 -0.202 1
1 303 . 7 1 1 A 24 24 GLU HA H 24 4.170 4.059 0.111 1
1 308 . 7 1 1 A 24 24 GLU C C 24 180.900 179.315 1.585 1
1 309 . 7 1 1 A 24 24 GLU CA C 24 59.000 59.276 -0.276 1
1 310 . 7 1 1 A 24 24 GLU CB C 24 29.700 29.030 0.670 1
1 312 . 7 1 1 A 24 24 GLU N N 24 119.200 119.628 -0.428 1
1 313 . 7 1 1 A 25 25 LYS H H 25 8.980 8.239 0.741 1
1 314 . 7 1 1 A 25 25 LYS HA H 25 4.050 3.992 0.058 1
1 323 . 7 1 1 A 25 25 LYS C C 25 178.600 178.844 -0.244 1
1 324 . 7 1 1 A 25 25 LYS CA C 25 59.300 58.720 0.580 1
1 325 . 7 1 1 A 25 25 LYS CB C 25 32.100 32.362 -0.262 1
1 329 . 7 1 1 A 25 25 LYS N N 25 122.900 119.397 3.503 1
1 330 . 7 1 1 A 26 26 HIS H H 26 7.400 7.350 0.050 1
1 331 . 7 1 1 A 26 26 HIS HA H 26 4.460 4.587 -0.127 1
1 336 . 7 1 1 A 26 26 HIS C C 26 173.600 174.635 -1.035 1
1 337 . 7 1 1 A 26 26 HIS CA C 26 56.500 57.091 -0.591 1
1 338 . 7 1 1 A 26 26 HIS CB C 26 29.200 29.928 -0.728 1
1 341 . 7 1 1 A 26 26 HIS N N 26 113.800 116.347 -2.547 1
1 342 . 7 1 1 A 27 27 LYS H H 27 8.200 8.043 0.157 1
1 343 . 7 1 1 A 27 27 LYS HA H 27 3.950 3.895 0.055 1
1 352 . 7 1 1 A 27 27 LYS C C 27 176.500 175.507 0.993 1
1 353 . 7 1 1 A 27 27 LYS CA C 27 56.600 57.195 -0.595 1
1 354 . 7 1 1 A 27 27 LYS CB C 27 29.600 30.948 -1.348 1
1 358 . 7 1 1 A 27 27 LYS N N 27 119.500 119.044 0.456 1
1 359 . 7 1 1 A 28 28 ALA H H 28 7.760 7.754 0.006 1
1 360 . 7 1 1 A 28 28 ALA HA H 28 4.490 4.497 -0.007 1
1 364 . 7 1 1 A 28 28 ALA CA C 28 51.000 50.576 0.424 1
1 365 . 7 1 1 A 28 28 ALA CB C 28 19.200 18.869 0.331 1
1 366 . 7 1 1 A 28 28 ALA N N 28 121.500 120.013 1.487 1
1 367 . 7 1 1 A 29 29 PRO HA H 29 4.720 4.527 0.193 1
1 374 . 7 1 1 A 29 29 PRO C C 29 177.400 177.411 -0.011 1
1 375 . 7 1 1 A 29 29 PRO CA C 29 62.100 62.741 -0.641 1
1 376 . 7 1 1 A 29 29 PRO CB C 29 33.000 33.043 -0.043 1
1 379 . 7 1 1 A 30 30 THR H H 30 8.830 8.414 0.416 1
1 380 . 7 1 1 A 30 30 THR HA H 30 3.680 3.909 -0.229 1
1 385 . 7 1 1 A 30 30 THR C C 30 175.200 176.045 -0.845 1
1 386 . 7 1 1 A 30 30 THR CA C 30 67.400 65.702 1.698 1
1 387 . 7 1 1 A 30 30 THR CB C 30 68.500 68.824 -0.324 1
1 389 . 7 1 1 A 30 30 THR N N 30 120.400 117.255 3.145 1
1 390 . 7 1 1 A 31 31 ASP H H 31 8.880 8.262 0.618 1
1 391 . 7 1 1 A 31 31 ASP HA H 31 4.220 4.378 -0.158 1
1 394 . 7 1 1 A 31 31 ASP C C 31 179.000 178.190 0.810 1
1 395 . 7 1 1 A 31 31 ASP CA C 31 57.400 57.627 -0.227 1
1 396 . 7 1 1 A 31 31 ASP CB C 31 38.700 41.074 -2.374 1
1 397 . 7 1 1 A 31 31 ASP N N 31 118.600 121.238 -2.638 1
1 398 . 7 1 1 A 32 32 LEU H H 32 7.540 8.041 -0.501 1
1 399 . 7 1 1 A 32 32 LEU HA H 32 3.970 4.059 -0.089 1
1 409 . 7 1 1 A 32 32 LEU C C 32 178.100 178.450 -0.350 1
1 410 . 7 1 1 A 32 32 LEU CA C 32 57.500 57.890 -0.390 1
1 411 . 7 1 1 A 32 32 LEU CB C 32 40.600 41.459 -0.859 1
1 415 . 7 1 1 A 32 32 LEU N N 32 124.300 121.041 3.259 1
1 416 . 7 1 1 A 33 33 SER H H 33 8.420 8.518 -0.098 1
1 417 . 7 1 1 A 33 33 SER HA H 33 3.860 4.197 -0.337 1
1 420 . 7 1 1 A 33 33 SER C C 33 175.900 177.360 -1.460 1
1 421 . 7 1 1 A 33 33 SER CA C 33 63.100 61.691 1.409 1
1 422 . 7 1 1 A 33 33 SER CB C 33 62.900 62.486 0.414 1
1 423 . 7 1 1 A 33 33 SER N N 33 116.000 115.666 0.334 1
1 424 . 7 1 1 A 34 34 LEU H H 34 8.400 8.304 0.096 1
1 425 . 7 1 1 A 34 34 LEU HA H 34 4.010 3.965 0.045 1
1 435 . 7 1 1 A 34 34 LEU C C 34 179.500 178.724 0.776 1
1 436 . 7 1 1 A 34 34 LEU CA C 34 58.700 57.922 0.778 1
1 437 . 7 1 1 A 34 34 LEU CB C 34 41.500 41.465 0.035 1
1 441 . 7 1 1 A 34 34 LEU N N 34 120.400 122.992 -2.592 1
1 442 . 7 1 1 A 35 35 MET H H 35 7.970 8.600 -0.630 1
1 443 . 7 1 1 A 35 35 MET HA H 35 4.210 4.264 -0.054 1
1 451 . 7 1 1 A 35 35 MET C C 35 178.900 177.869 1.031 1
1 452 . 7 1 1 A 35 35 MET CA C 35 59.100 58.744 0.356 1
1 453 . 7 1 1 A 35 35 MET CB C 35 33.100 32.052 1.048 1
1 456 . 7 1 1 A 35 35 MET N N 35 120.300 118.599 1.701 1
1 457 . 7 1 1 A 36 36 ALA H H 36 8.710 8.068 0.642 1
1 458 . 7 1 1 A 36 36 ALA HA H 36 3.900 4.052 -0.152 1
1 462 . 7 1 1 A 36 36 ALA C C 36 179.700 179.984 -0.284 1
1 463 . 7 1 1 A 36 36 ALA CA C 36 55.400 55.149 0.251 1
1 464 . 7 1 1 A 36 36 ALA CB C 36 18.600 18.478 0.122 1
1 465 . 7 1 1 A 36 36 ALA N N 36 121.700 121.321 0.379 1
1 466 . 7 1 1 A 37 37 LEU H H 37 8.750 8.714 0.036 1
1 467 . 7 1 1 A 37 37 LEU HA H 37 3.980 3.941 0.039 1
1 477 . 7 1 1 A 37 37 LEU C C 37 179.600 179.128 0.472 1
1 478 . 7 1 1 A 37 37 LEU CA C 37 59.000 57.825 1.175 1
1 479 . 7 1 1 A 37 37 LEU CB C 37 42.000 41.818 0.182 1
1 483 . 7 1 1 A 37 37 LEU N N 37 118.100 118.749 -0.649 1
1 484 . 7 1 1 A 38 38 GLY H H 38 8.780 8.707 0.073 1
1 485 . 7 1 1 A 38 38 GLY HA2 H 38 3.650 3.731 -0.081 1
1 486 . 7 1 1 A 38 38 GLY HA3 H 38 3.940 3.739 0.201 1
1 487 . 7 1 1 A 38 38 GLY C C 38 175.600 176.252 -0.652 1
1 488 . 7 1 1 A 38 38 GLY CA C 38 48.300 47.513 0.787 1
1 489 . 7 1 1 A 38 38 GLY N N 38 105.600 105.845 -0.245 1
1 490 . 7 1 1 A 39 39 ASN H H 39 8.180 7.982 0.198 1
1 491 . 7 1 1 A 39 39 ASN HA H 39 4.550 4.470 0.080 1
1 496 . 7 1 1 A 39 39 ASN C C 39 178.400 177.969 0.431 1
1 497 . 7 1 1 A 39 39 ASN CA C 39 56.000 56.159 -0.159 1
1 498 . 7 1 1 A 39 39 ASN CB C 39 39.200 38.047 1.153 1
1 500 . 7 1 1 A 39 39 ASN N N 39 120.000 119.403 0.597 1
1 502 . 7 1 1 A 40 40 CYS H H 40 8.420 7.946 0.474 1
1 503 . 7 1 1 A 40 40 CYS HA H 40 4.010 4.051 -0.041 1
1 506 . 7 1 1 A 40 40 CYS C C 40 176.000 177.093 -1.093 1
1 507 . 7 1 1 A 40 40 CYS CA C 40 65.300 62.563 2.737 1
1 508 . 7 1 1 A 40 40 CYS CB C 40 27.200 26.491 0.709 1
1 509 . 7 1 1 A 40 40 CYS N N 40 120.200 119.282 0.918 1
1 510 . 7 1 1 A 41 41 VAL H H 41 7.830 8.347 -0.517 1
1 511 . 7 1 1 A 41 41 VAL HA H 41 3.250 3.446 -0.196 1
1 519 . 7 1 1 A 41 41 VAL C C 41 177.500 177.946 -0.446 1
1 520 . 7 1 1 A 41 41 VAL CA C 41 67.500 66.793 0.707 1
1 521 . 7 1 1 A 41 41 VAL CB C 41 30.800 31.585 -0.785 1
1 524 . 7 1 1 A 41 41 VAL N N 41 119.400 120.255 -0.855 1
1 525 . 7 1 1 A 42 42 THR H H 42 8.270 8.036 0.234 1
1 526 . 7 1 1 A 42 42 THR HA H 42 3.520 3.814 -0.294 1
1 531 . 7 1 1 A 42 42 THR C C 42 176.200 176.399 -0.199 1
1 532 . 7 1 1 A 42 42 THR CA C 42 67.800 66.359 1.441 1
1 533 . 7 1 1 A 42 42 THR CB C 42 67.800 68.411 -0.611 1
1 535 . 7 1 1 A 42 42 THR N N 42 113.600 115.984 -2.384 1
1 536 . 7 1 1 A 43 43 HIS H H 43 8.250 7.821 0.429 1
1 537 . 7 1 1 A 43 43 HIS HA H 43 4.310 4.246 0.064 1
1 542 . 7 1 1 A 43 43 HIS C C 43 177.200 177.447 -0.247 1
1 543 . 7 1 1 A 43 43 HIS CA C 43 59.300 59.398 -0.098 1
1 544 . 7 1 1 A 43 43 HIS CB C 43 28.900 29.757 -0.857 1
1 547 . 7 1 1 A 43 43 HIS N N 43 120.000 121.703 -1.703 1
1 550 . 7 1 1 A 44 44 LEU H H 44 8.070 8.171 -0.101 1
1 551 . 7 1 1 A 44 44 LEU HA H 44 3.960 3.814 0.146 1
1 561 . 7 1 1 A 44 44 LEU C C 44 179.300 179.050 0.250 1
1 562 . 7 1 1 A 44 44 LEU CA C 44 58.400 57.832 0.568 1
1 563 . 7 1 1 A 44 44 LEU CB C 44 42.200 41.282 0.918 1
1 567 . 7 1 1 A 44 44 LEU N N 44 119.400 119.509 -0.109 1
1 568 . 7 1 1 A 45 45 LEU H H 45 8.410 7.876 0.534 1
1 569 . 7 1 1 A 45 45 LEU HA H 45 3.850 3.898 -0.048 1
1 579 . 7 1 1 A 45 45 LEU C C 45 178.700 179.222 -0.522 1
1 580 . 7 1 1 A 45 45 LEU CA C 45 58.200 57.545 0.655 1
1 581 . 7 1 1 A 45 45 LEU CB C 45 41.800 40.738 1.062 1
1 585 . 7 1 1 A 45 45 LEU N N 45 118.100 119.156 -1.056 1
1 586 . 7 1 1 A 46 46 GLU H H 46 8.120 7.925 0.195 1
1 587 . 7 1 1 A 46 46 GLU HA H 46 3.740 4.099 -0.359 1
1 592 . 7 1 1 A 46 46 GLU C C 46 178.000 178.357 -0.357 1
1 593 . 7 1 1 A 46 46 GLU CA C 46 58.900 58.808 0.092 1
1 594 . 7 1 1 A 46 46 GLU CB C 46 29.700 29.323 0.377 1
1 596 . 7 1 1 A 46 46 GLU N N 46 115.000 118.716 -3.716 1
1 597 . 7 1 1 A 47 47 ARG H H 47 7.740 7.873 -0.133 1
1 598 . 7 1 1 A 47 47 ARG HA H 47 4.270 4.095 0.175 1
1 606 . 7 1 1 A 47 47 ARG C C 47 178.500 177.576 0.924 1
1 607 . 7 1 1 A 47 47 ARG CA C 47 57.000 58.097 -1.097 1
1 608 . 7 1 1 A 47 47 ARG CB C 47 31.600 30.747 0.853 1
1 611 . 7 1 1 A 47 47 ARG N N 47 114.000 120.353 -6.353 1
1 613 . 7 1 1 A 48 48 LYS H H 48 8.210 7.738 0.472 1
1 614 . 7 1 1 A 48 48 LYS HA H 48 4.620 4.439 0.181 1
1 623 . 7 1 1 A 48 48 LYS C C 48 176.400 175.667 0.733 1
1 624 . 7 1 1 A 48 48 LYS CA C 48 55.500 55.842 -0.342 1
1 625 . 7 1 1 A 48 48 LYS CB C 48 34.500 34.445 0.055 1
1 629 . 7 1 1 A 48 48 LYS N N 48 114.000 116.732 -2.732 1
1 630 . 7 1 1 A 49 49 VAL H H 49 7.630 7.280 0.350 1
1 631 . 7 1 1 A 49 49 VAL HA H 49 4.710 4.295 0.415 1
1 639 . 7 1 1 A 49 49 VAL CA C 49 59.400 58.572 0.828 1
1 640 . 7 1 1 A 49 49 VAL CB C 49 33.600 33.250 0.350 1
1 643 . 7 1 1 A 49 49 VAL N N 49 121.800 119.035 2.765 1
1 644 . 7 1 1 A 50 50 PRO HA H 50 4.460 4.592 -0.132 1
1 651 . 7 1 1 A 50 50 PRO C C 50 177.900 177.721 0.179 1
1 652 . 7 1 1 A 50 50 PRO CA C 50 63.200 62.789 0.411 1
1 653 . 7 1 1 A 50 50 PRO CB C 50 32.900 32.967 -0.067 1
1 656 . 7 1 1 A 51 51 SER H H 51 8.950 8.711 0.239 1
1 657 . 7 1 1 A 51 51 SER HA H 51 3.910 4.187 -0.277 1
1 660 . 7 1 1 A 51 51 SER C C 51 176.300 176.668 -0.368 1
1 661 . 7 1 1 A 51 51 SER CA C 51 62.800 61.384 1.416 1
1 662 . 7 1 1 A 51 51 SER CB C 51 62.700 62.818 -0.118 1
1 663 . 7 1 1 A 51 51 SER N N 51 119.000 118.588 0.412 1
1 664 . 7 1 1 A 52 52 GLU H H 52 9.480 8.435 1.045 1
1 665 . 7 1 1 A 52 52 GLU HA H 52 4.220 4.038 0.182 1
1 670 . 7 1 1 A 52 52 GLU C C 52 177.000 178.254 -1.254 1
1 671 . 7 1 1 A 52 52 GLU CA C 52 59.200 59.325 -0.125 1
1 672 . 7 1 1 A 52 52 GLU CB C 52 28.700 29.464 -0.764 1
1 674 . 7 1 1 A 52 52 GLU N N 52 118.900 122.607 -3.707 1
1 675 . 7 1 1 A 53 53 SER H H 53 7.770 7.906 -0.136 1
1 676 . 7 1 1 A 53 53 SER HA H 53 4.940 4.457 0.483 1
1 679 . 7 1 1 A 53 53 SER C C 53 174.200 176.475 -2.275 1
1 680 . 7 1 1 A 53 53 SER CA C 53 58.200 60.148 -1.948 1
1 681 . 7 1 1 A 53 53 SER CB C 53 64.800 63.890 0.910 1
1 682 . 7 1 1 A 53 53 SER N N 53 112.500 116.404 -3.904 1
1 683 . 7 1 1 A 54 54 ARG H H 54 7.380 7.981 -0.601 1
1 684 . 7 1 1 A 54 54 ARG HA H 54 3.630 4.056 -0.426 1
1 696 . 7 1 1 A 54 54 ARG C C 54 177.200 178.804 -1.604 1
1 697 . 7 1 1 A 54 54 ARG CA C 54 61.400 59.500 1.900 1
1 698 . 7 1 1 A 54 54 ARG CB C 54 31.200 29.951 1.249 1
1 701 . 7 1 1 A 54 54 ARG N N 54 122.100 121.641 0.459 1
1 703 . 7 1 1 A 55 55 GLN H H 55 9.010 7.956 1.054 1
1 704 . 7 1 1 A 55 55 GLN HA H 55 3.840 4.111 -0.271 1
1 711 . 7 1 1 A 55 55 GLN C C 55 178.000 177.846 0.154 1
1 712 . 7 1 1 A 55 55 GLN CA C 55 59.700 58.683 1.017 1
1 713 . 7 1 1 A 55 55 GLN CB C 55 28.100 28.788 -0.688 1
1 716 . 7 1 1 A 55 55 GLN N N 55 118.000 119.469 -1.469 1
1 718 . 7 1 1 A 56 56 ALA H H 56 8.280 8.116 0.164 1
1 719 . 7 1 1 A 56 56 ALA HA H 56 4.190 4.053 0.137 1
1 723 . 7 1 1 A 56 56 ALA C C 56 181.200 180.138 1.062 1
1 724 . 7 1 1 A 56 56 ALA CA C 56 55.200 55.218 -0.018 1
1 725 . 7 1 1 A 56 56 ALA CB C 56 17.900 18.315 -0.415 1
1 726 . 7 1 1 A 56 56 ALA N N 56 122.300 121.817 0.483 1
1 727 . 7 1 1 A 57 57 VAL H H 57 8.150 8.752 -0.602 1
1 728 . 7 1 1 A 57 57 VAL HA H 57 3.740 3.549 0.191 1
1 736 . 7 1 1 A 57 57 VAL C C 57 178.900 178.271 0.629 1
1 737 . 7 1 1 A 57 57 VAL CA C 57 66.700 66.645 0.055 1
1 738 . 7 1 1 A 57 57 VAL CB C 57 31.700 31.607 0.093 1
1 741 . 7 1 1 A 57 57 VAL N N 57 119.600 118.340 1.260 1
1 742 . 7 1 1 A 58 58 ALA H H 58 8.370 8.027 0.343 1
1 743 . 7 1 1 A 58 58 ALA HA H 58 3.910 3.928 -0.018 1
1 747 . 7 1 1 A 58 58 ALA C C 58 179.500 179.483 0.017 1
1 748 . 7 1 1 A 58 58 ALA CA C 58 55.800 55.310 0.490 1
1 749 . 7 1 1 A 58 58 ALA CB C 58 18.500 17.963 0.537 1
1 750 . 7 1 1 A 58 58 ALA N N 58 123.000 121.768 1.232 1
1 751 . 7 1 1 A 59 59 GLU H H 59 8.630 8.382 0.248 1
1 752 . 7 1 1 A 59 59 GLU HA H 59 4.100 4.068 0.032 1
1 757 . 7 1 1 A 59 59 GLU C C 59 179.400 179.280 0.120 1
1 758 . 7 1 1 A 59 59 GLU CA C 59 59.600 59.601 -0.001 1
1 759 . 7 1 1 A 59 59 GLU CB C 59 29.300 29.181 0.119 1
1 761 . 7 1 1 A 59 59 GLU N N 59 118.400 119.139 -0.739 1
1 762 . 7 1 1 A 60 60 GLN H H 60 8.280 8.241 0.039 1
1 763 . 7 1 1 A 60 60 GLN HA H 60 4.090 4.093 -0.003 1
1 770 . 7 1 1 A 60 60 GLN C C 60 178.700 178.089 0.611 1
1 771 . 7 1 1 A 60 60 GLN CA C 60 59.100 58.786 0.314 1
1 772 . 7 1 1 A 60 60 GLN CB C 60 28.100 28.655 -0.555 1
1 775 . 7 1 1 A 60 60 GLN N N 60 120.400 118.482 1.918 1
1 777 . 7 1 1 A 61 61 PHE H H 61 8.400 8.777 -0.377 1
1 778 . 7 1 1 A 61 61 PHE HA H 61 4.160 4.311 -0.151 1
1 786 . 7 1 1 A 61 61 PHE C C 61 177.600 177.112 0.488 1
1 787 . 7 1 1 A 61 61 PHE CA C 61 61.400 61.589 -0.189 1
1 788 . 7 1 1 A 61 61 PHE CB C 61 39.100 39.130 -0.030 1
1 794 . 7 1 1 A 61 61 PHE N N 61 122.000 121.779 0.221 1
1 795 . 7 1 1 A 62 62 ALA H H 62 8.620 8.480 0.140 1
1 796 . 7 1 1 A 62 62 ALA HA H 62 3.980 4.134 -0.154 1
1 800 . 7 1 1 A 62 62 ALA C C 62 179.700 180.109 -0.409 1
1 801 . 7 1 1 A 62 62 ALA CA C 62 55.500 55.678 -0.178 1
1 802 . 7 1 1 A 62 62 ALA CB C 62 18.900 18.072 0.828 1
1 803 . 7 1 1 A 62 62 ALA N N 62 122.000 121.236 0.764 1
1 804 . 7 1 1 A 63 63 LYS H H 63 8.470 7.777 0.693 1
1 805 . 7 1 1 A 63 63 LYS HA H 63 4.050 4.047 0.003 1
1 814 . 7 1 1 A 63 63 LYS C C 63 179.200 178.713 0.487 1
1 815 . 7 1 1 A 63 63 LYS CA C 63 59.600 58.899 0.701 1
1 816 . 7 1 1 A 63 63 LYS CB C 63 32.600 32.122 0.478 1
1 820 . 7 1 1 A 63 63 LYS N N 63 119.500 119.037 0.463 1
1 821 . 7 1 1 A 64 64 ALA H H 64 8.000 8.297 -0.297 1
1 822 . 7 1 1 A 64 64 ALA HA H 64 4.100 4.019 0.081 1
1 826 . 7 1 1 A 64 64 ALA C C 64 180.700 180.136 0.564 1
1 827 . 7 1 1 A 64 64 ALA CA C 64 55.000 54.926 0.074 1
1 828 . 7 1 1 A 64 64 ALA CB C 64 17.700 17.994 -0.294 1
1 829 . 7 1 1 A 64 64 ALA N N 64 122.000 122.271 -0.271 1
1 830 . 7 1 1 A 65 65 LEU H H 65 7.830 7.743 0.087 1
1 831 . 7 1 1 A 65 65 LEU HA H 65 3.950 3.851 0.099 1
1 841 . 7 1 1 A 65 65 LEU C C 65 178.900 178.879 0.021 1
1 842 . 7 1 1 A 65 65 LEU CA C 65 57.800 57.497 0.303 1
1 843 . 7 1 1 A 65 65 LEU CB C 65 41.700 41.412 0.288 1
1 847 . 7 1 1 A 65 65 LEU N N 65 120.600 119.094 1.506 1
1 848 . 7 1 1 A 66 66 ALA H H 66 7.990 8.131 -0.141 1
1 849 . 7 1 1 A 66 66 ALA HA H 66 3.840 4.021 -0.181 1
1 853 . 7 1 1 A 66 66 ALA C C 66 180.300 180.067 0.233 1
1 854 . 7 1 1 A 66 66 ALA CA C 66 55.500 54.903 0.597 1
1 855 . 7 1 1 A 66 66 ALA CB C 66 17.900 18.530 -0.630 1
1 856 . 7 1 1 A 66 66 ALA N N 66 120.900 121.875 -0.975 1
1 857 . 7 1 1 A 67 67 GLN H H 67 8.140 7.902 0.238 1
1 858 . 7 1 1 A 67 67 GLN HA H 67 4.070 3.999 0.071 1
1 865 . 7 1 1 A 67 67 GLN C C 67 178.400 178.857 -0.457 1
1 866 . 7 1 1 A 67 67 GLN CA C 67 58.300 58.475 -0.175 1
1 867 . 7 1 1 A 67 67 GLN CB C 67 28.400 28.677 -0.277 1
1 870 . 7 1 1 A 67 67 GLN N N 67 116.600 118.098 -1.498 1
1 872 . 7 1 1 A 68 68 SER H H 68 8.120 8.003 0.117 1
1 873 . 7 1 1 A 68 68 SER HA H 68 4.220 4.137 0.083 1
1 876 . 7 1 1 A 68 68 SER C C 68 176.500 175.942 0.558 1
1 877 . 7 1 1 A 68 68 SER CA C 68 61.500 62.676 -1.176 1
1 878 . 7 1 1 A 68 68 SER CB C 68 63.000 63.055 -0.055 1
1 879 . 7 1 1 A 68 68 SER N N 68 116.700 117.519 -0.819 1
1 880 . 7 1 1 A 69 69 VAL H H 69 7.660 8.011 -0.351 1
1 881 . 7 1 1 A 69 69 VAL HA H 69 3.860 3.544 0.316 1
1 889 . 7 1 1 A 69 69 VAL C C 69 177.400 177.632 -0.232 1
1 890 . 7 1 1 A 69 69 VAL CA C 69 64.900 67.150 -2.250 1
1 891 . 7 1 1 A 69 69 VAL CB C 69 31.900 31.347 0.553 1
1 894 . 7 1 1 A 69 69 VAL N N 69 119.800 121.991 -2.191 1
1 895 . 7 1 1 A 70 70 LYS H H 70 7.860 7.743 0.117 1
1 896 . 7 1 1 A 70 70 LYS HA H 70 4.040 3.936 0.104 1
1 905 . 7 1 1 A 70 70 LYS C C 70 178.400 179.270 -0.870 1
1 906 . 7 1 1 A 70 70 LYS CA C 70 59.200 59.682 -0.482 1
1 907 . 7 1 1 A 70 70 LYS CB C 70 32.800 32.088 0.712 1
1 911 . 7 1 1 A 70 70 LYS N N 70 121.300 119.106 2.194 1
1 912 . 7 1 1 A 71 71 SER H H 71 8.390 8.084 0.306 1
1 913 . 7 1 1 A 71 71 SER HA H 71 4.280 4.174 0.106 1
1 916 . 7 1 1 A 71 71 SER C C 71 176.000 177.068 -1.068 1
1 917 . 7 1 1 A 71 71 SER CA C 71 60.700 61.376 -0.676 1
1 918 . 7 1 1 A 71 71 SER CB C 71 63.300 62.952 0.348 1
1 919 . 7 1 1 A 71 71 SER N N 71 114.400 114.601 -0.201 1
1 920 . 7 1 1 A 72 72 ASN H H 72 7.940 7.863 0.077 1
1 921 . 7 1 1 A 72 72 ASN HA H 72 4.630 4.493 0.137 1
1 926 . 7 1 1 A 72 72 ASN C C 72 176.700 176.764 -0.064 1
1 927 . 7 1 1 A 72 72 ASN CA C 72 55.000 55.940 -0.940 1
1 928 . 7 1 1 A 72 72 ASN CB C 72 39.000 38.907 0.093 1
1 930 . 7 1 1 A 72 72 ASN N N 72 119.700 118.984 0.716 1
1 932 . 7 1 1 A 73 73 LEU H H 73 7.900 7.270 0.630 1
1 933 . 7 1 1 A 73 73 LEU HA H 73 4.180 4.318 -0.138 1
1 943 . 7 1 1 A 73 73 LEU C C 73 178.400 176.877 1.523 1
1 944 . 7 1 1 A 73 73 LEU CA C 73 56.700 54.921 1.779 1
1 945 . 7 1 1 A 73 73 LEU CB C 73 42.300 41.780 0.520 1
1 949 . 7 1 1 A 73 73 LEU N N 73 121.000 117.393 3.607 1
1 950 . 7 1 1 A 74 74 GLU H H 74 8.060 7.416 0.644 1
1 951 . 7 1 1 A 74 74 GLU HA H 74 4.120 4.654 -0.534 1
1 956 . 7 1 1 A 74 74 GLU C C 74 177.100 176.030 1.070 1
1 957 . 7 1 1 A 74 74 GLU CA C 74 57.400 55.111 2.289 1
1 958 . 7 1 1 A 74 74 GLU CB C 74 29.900 31.542 -1.642 1
1 960 . 7 1 1 A 74 74 GLU N N 74 119.300 122.418 -3.118 1
1 961 . 7 1 1 A 75 75 HIS H H 75 8.140 8.617 -0.477 1
1 962 . 7 1 1 A 75 75 HIS HA H 75 4.590 4.793 -0.203 1
1 966 . 7 1 1 A 75 75 HIS C C 75 174.900 175.384 -0.484 1
1 967 . 7 1 1 A 75 75 HIS CA C 75 56.100 55.227 0.873 1
1 968 . 7 1 1 A 75 75 HIS CB C 75 29.000 29.958 -0.958 1
1 970 . 7 1 1 A 75 75 HIS N N 75 117.500 127.704 -10.204 1
1 971 . 7 1 1 A 76 76 HIS H H 76 8.240 7.491 0.749 1
1 972 . 7 1 1 A 76 76 HIS C C 76 174.500 175.379 -0.879 1
1 973 . 7 1 1 A 76 76 HIS CA C 76 55.900 56.742 -0.842 1
1 974 . 7 1 1 A 76 76 HIS CB C 76 29.300 31.186 -1.886 1
1 975 . 7 1 1 A 76 76 HIS N N 76 118.300 118.956 -0.656 1
1 976 . 7 1 1 A 77 77 HIS H H 77 8.400 8.655 -0.255 1
1 977 . 7 1 1 A 77 77 HIS HA H 77 4.640 4.489 0.151 1
1 980 . 7 1 1 A 77 77 HIS C C 77 173.700 174.999 -1.299 1
1 981 . 7 1 1 A 77 77 HIS CA C 77 55.700 56.880 -1.180 1
1 982 . 7 1 1 A 77 77 HIS CB C 77 29.700 28.308 1.392 1
1 983 . 7 1 1 A 77 77 HIS N N 77 119.300 115.109 4.191 1
1 984 . 7 1 1 A 78 78 HIS H H 78 8.330 8.605 -0.275 1
1 985 . 7 1 1 A 78 78 HIS CA C 78 57.200 58.058 -0.858 1
1 986 . 7 1 1 A 78 78 HIS CB C 78 29.900 31.427 -1.527 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 4.140 4.901 -0.761 1
1 5 . 8 1 1 A 2 2 ALA C C 2 173.800 177.392 -3.592 1
1 6 . 8 1 1 A 2 2 ALA CA C 2 51.800 50.567 1.233 1
1 7 . 8 1 1 A 2 2 ALA CB C 2 19.600 19.225 0.375 1
1 8 . 8 1 1 A 3 3 ILE H H 3 8.540 8.473 0.067 1
1 9 . 8 1 1 A 3 3 ILE HA H 3 4.190 4.551 -0.361 1
1 19 . 8 1 1 A 3 3 ILE C C 3 176.000 175.241 0.759 1
1 20 . 8 1 1 A 3 3 ILE CA C 3 61.300 59.937 1.363 1
1 21 . 8 1 1 A 3 3 ILE CB C 3 38.800 39.044 -0.244 1
1 25 . 8 1 1 A 3 3 ILE N N 3 120.500 118.040 2.460 1
1 26 . 8 1 1 A 4 4 GLN H H 4 8.570 7.739 0.831 1
1 27 . 8 1 1 A 4 4 GLN HA H 4 4.400 5.059 -0.659 1
1 34 . 8 1 1 A 4 4 GLN C C 4 175.700 174.460 1.240 1
1 35 . 8 1 1 A 4 4 GLN CA C 4 55.800 54.046 1.754 1
1 36 . 8 1 1 A 4 4 GLN CB C 4 29.600 31.840 -2.240 1
1 39 . 8 1 1 A 4 4 GLN N N 4 125.100 120.414 4.686 1
1 41 . 8 1 1 A 5 5 SER H H 5 8.440 9.100 -0.660 1
1 42 . 8 1 1 A 5 5 SER HA H 5 4.420 4.530 -0.110 1
1 45 . 8 1 1 A 5 5 SER C C 5 174.300 175.435 -1.135 1
1 46 . 8 1 1 A 5 5 SER CA C 5 58.200 59.291 -1.091 1
1 47 . 8 1 1 A 5 5 SER CB C 5 64.000 63.866 0.134 1
1 48 . 8 1 1 A 5 5 SER N N 5 118.100 119.591 -1.491 1
1 49 . 8 1 1 A 6 6 LYS H H 6 8.320 8.461 -0.141 1
1 50 . 8 1 1 A 6 6 LYS HA H 6 4.110 4.287 -0.177 1
1 59 . 8 1 1 A 6 6 LYS C C 6 176.000 175.853 0.147 1
1 60 . 8 1 1 A 6 6 LYS CA C 6 57.200 55.379 1.821 1
1 61 . 8 1 1 A 6 6 LYS CB C 6 33.100 33.317 -0.217 1
1 65 . 8 1 1 A 6 6 LYS N N 6 123.600 120.027 3.573 1
1 66 . 8 1 1 A 7 7 TYR H H 7 8.000 8.202 -0.202 1
1 67 . 8 1 1 A 7 7 TYR HA H 7 4.800 4.285 0.515 1
1 74 . 8 1 1 A 7 7 TYR C C 7 175.800 175.526 0.274 1
1 75 . 8 1 1 A 7 7 TYR CA C 7 57.000 58.811 -1.811 1
1 76 . 8 1 1 A 7 7 TYR CB C 7 39.900 36.017 3.883 1
1 81 . 8 1 1 A 7 7 TYR N N 7 118.900 119.854 -0.954 1
1 82 . 8 1 1 A 8 8 SER H H 8 8.770 8.190 0.580 1
1 83 . 8 1 1 A 8 8 SER HA H 8 4.510 4.629 -0.119 1
1 86 . 8 1 1 A 8 8 SER C C 8 175.000 175.279 -0.279 1
1 87 . 8 1 1 A 8 8 SER CA C 8 57.500 57.357 0.143 1
1 88 . 8 1 1 A 8 8 SER CB C 8 64.700 64.971 -0.271 1
1 89 . 8 1 1 A 8 8 SER N N 8 118.600 120.865 -2.265 1
1 90 . 8 1 1 A 9 9 ASN H H 9 8.910 8.985 -0.075 1
1 91 . 8 1 1 A 9 9 ASN HA H 9 4.540 4.406 0.134 1
1 96 . 8 1 1 A 9 9 ASN C C 9 177.200 177.308 -0.108 1
1 97 . 8 1 1 A 9 9 ASN CA C 9 55.900 56.965 -1.065 1
1 98 . 8 1 1 A 9 9 ASN CB C 9 38.200 38.809 -0.609 1
1 100 . 8 1 1 A 9 9 ASN N N 9 121.400 124.518 -3.118 1
1 102 . 8 1 1 A 10 10 THR H H 10 8.180 8.241 -0.061 1
1 103 . 8 1 1 A 10 10 THR HA H 10 4.070 3.837 0.233 1
1 108 . 8 1 1 A 10 10 THR C C 10 176.600 176.468 0.132 1
1 109 . 8 1 1 A 10 10 THR CA C 10 65.300 67.215 -1.915 1
1 110 . 8 1 1 A 10 10 THR CB C 10 68.800 68.506 0.294 1
1 112 . 8 1 1 A 10 10 THR N N 10 113.500 116.238 -2.738 1
1 113 . 8 1 1 A 11 11 GLN H H 11 7.950 7.752 0.198 1
1 114 . 8 1 1 A 11 11 GLN HA H 11 4.160 3.953 0.207 1
1 121 . 8 1 1 A 11 11 GLN C C 11 178.400 178.462 -0.062 1
1 122 . 8 1 1 A 11 11 GLN CA C 11 59.000 59.084 -0.084 1
1 123 . 8 1 1 A 11 11 GLN CB C 11 29.200 28.345 0.855 1
1 126 . 8 1 1 A 11 11 GLN N N 11 122.500 122.285 0.215 1
1 128 . 8 1 1 A 12 12 VAL H H 12 7.850 7.615 0.235 1
1 129 . 8 1 1 A 12 12 VAL HA H 12 3.540 3.593 -0.053 1
1 137 . 8 1 1 A 12 12 VAL C C 12 177.400 177.811 -0.411 1
1 138 . 8 1 1 A 12 12 VAL CA C 12 66.400 66.586 -0.186 1
1 139 . 8 1 1 A 12 12 VAL CB C 12 32.300 31.696 0.604 1
1 142 . 8 1 1 A 12 12 VAL N N 12 119.000 119.865 -0.865 1
1 143 . 8 1 1 A 13 13 GLU H H 13 8.550 9.090 -0.540 1
1 144 . 8 1 1 A 13 13 GLU HA H 13 3.910 3.893 0.017 1
1 149 . 8 1 1 A 13 13 GLU C C 13 179.500 178.968 0.532 1
1 150 . 8 1 1 A 13 13 GLU CA C 13 59.700 60.160 -0.460 1
1 151 . 8 1 1 A 13 13 GLU CB C 13 29.100 29.652 -0.552 1
1 153 . 8 1 1 A 13 13 GLU N N 13 118.300 120.883 -2.583 1
1 154 . 8 1 1 A 14 14 SER H H 14 8.080 8.239 -0.159 1
1 155 . 8 1 1 A 14 14 SER HA H 14 4.260 4.135 0.125 1
1 158 . 8 1 1 A 14 14 SER C C 14 176.200 175.953 0.247 1
1 159 . 8 1 1 A 14 14 SER CA C 14 61.700 62.198 -0.498 1
1 160 . 8 1 1 A 14 14 SER CB C 14 62.800 63.132 -0.332 1
1 161 . 8 1 1 A 14 14 SER N N 14 114.600 117.115 -2.515 1
1 162 . 8 1 1 A 15 15 LEU H H 15 7.110 7.746 -0.636 1
1 163 . 8 1 1 A 15 15 LEU HA H 15 3.690 4.069 -0.379 1
1 173 . 8 1 1 A 15 15 LEU C C 15 177.800 178.861 -1.061 1
1 174 . 8 1 1 A 15 15 LEU CA C 15 57.700 58.957 -1.257 1
1 175 . 8 1 1 A 15 15 LEU CB C 15 42.300 41.567 0.733 1
1 179 . 8 1 1 A 15 15 LEU N N 15 122.200 122.237 -0.037 1
1 180 . 8 1 1 A 16 16 ILE H H 16 8.030 8.505 -0.475 1
1 181 . 8 1 1 A 16 16 ILE HA H 16 3.220 3.635 -0.415 1
1 191 . 8 1 1 A 16 16 ILE C C 16 177.200 177.734 -0.534 1
1 192 . 8 1 1 A 16 16 ILE CA C 16 66.000 66.341 -0.341 1
1 193 . 8 1 1 A 16 16 ILE CB C 16 39.100 37.874 1.226 1
1 197 . 8 1 1 A 16 16 ILE N N 16 117.900 119.846 -1.946 1
1 198 . 8 1 1 A 17 17 ALA H H 17 7.960 8.799 -0.839 1
1 199 . 8 1 1 A 17 17 ALA HA H 17 3.930 4.007 -0.077 1
1 203 . 8 1 1 A 17 17 ALA C C 17 180.600 179.547 1.053 1
1 204 . 8 1 1 A 17 17 ALA CA C 17 55.400 55.531 -0.131 1
1 205 . 8 1 1 A 17 17 ALA CB C 17 18.000 18.126 -0.126 1
1 206 . 8 1 1 A 17 17 ALA N N 17 118.300 122.040 -3.740 1
1 207 . 8 1 1 A 18 18 GLU H H 18 7.630 7.980 -0.350 1
1 208 . 8 1 1 A 18 18 GLU HA H 18 4.030 3.988 0.042 1
1 213 . 8 1 1 A 18 18 GLU C C 18 179.400 179.761 -0.361 1
1 214 . 8 1 1 A 18 18 GLU CA C 18 59.800 59.780 0.020 1
1 215 . 8 1 1 A 18 18 GLU CB C 18 30.300 29.771 0.529 1
1 217 . 8 1 1 A 18 18 GLU N N 18 116.300 117.646 -1.346 1
1 218 . 8 1 1 A 19 19 ILE H H 19 8.110 7.688 0.422 1
1 219 . 8 1 1 A 19 19 ILE HA H 19 3.590 3.816 -0.226 1
1 229 . 8 1 1 A 19 19 ILE C C 19 177.800 178.268 -0.468 1
1 230 . 8 1 1 A 19 19 ILE CA C 19 66.500 64.362 2.138 1
1 231 . 8 1 1 A 19 19 ILE CB C 19 37.500 37.210 0.290 1
1 235 . 8 1 1 A 19 19 ILE N N 19 121.100 118.084 3.016 1
1 236 . 8 1 1 A 20 20 LEU H H 20 8.480 7.811 0.669 1
1 237 . 8 1 1 A 20 20 LEU HA H 20 4.020 4.119 -0.099 1
1 247 . 8 1 1 A 20 20 LEU C C 20 180.500 179.062 1.438 1
1 248 . 8 1 1 A 20 20 LEU CA C 20 58.600 57.864 0.736 1
1 249 . 8 1 1 A 20 20 LEU CB C 20 40.400 41.774 -1.374 1
1 253 . 8 1 1 A 20 20 LEU N N 20 118.300 121.589 -3.289 1
1 254 . 8 1 1 A 21 21 VAL H H 21 7.810 8.189 -0.379 1
1 255 . 8 1 1 A 21 21 VAL HA H 21 3.770 3.702 0.068 1
1 263 . 8 1 1 A 21 21 VAL C C 21 178.200 178.476 -0.276 1
1 264 . 8 1 1 A 21 21 VAL CA C 21 66.800 66.812 -0.012 1
1 265 . 8 1 1 A 21 21 VAL CB C 21 31.600 31.536 0.064 1
1 268 . 8 1 1 A 21 21 VAL N N 21 119.700 118.238 1.462 1
1 269 . 8 1 1 A 22 22 VAL H H 22 7.530 8.250 -0.720 1
1 270 . 8 1 1 A 22 22 VAL HA H 22 3.610 3.537 0.073 1
1 278 . 8 1 1 A 22 22 VAL C C 22 178.500 178.108 0.392 1
1 279 . 8 1 1 A 22 22 VAL CA C 22 67.300 67.122 0.178 1
1 280 . 8 1 1 A 22 22 VAL CB C 22 31.500 31.541 -0.041 1
1 283 . 8 1 1 A 22 22 VAL N N 22 121.400 120.179 1.221 1
1 284 . 8 1 1 A 23 23 LEU H H 23 7.610 8.008 -0.398 1
1 285 . 8 1 1 A 23 23 LEU HA H 23 3.880 3.880 0.000 1
1 295 . 8 1 1 A 23 23 LEU C C 23 179.700 179.646 0.054 1
1 296 . 8 1 1 A 23 23 LEU CA C 23 58.400 58.630 -0.230 1
1 297 . 8 1 1 A 23 23 LEU CB C 23 40.900 41.750 -0.850 1
1 301 . 8 1 1 A 23 23 LEU N N 23 116.800 119.408 -2.608 1
1 302 . 8 1 1 A 24 24 GLU H H 24 8.160 8.376 -0.216 1
1 303 . 8 1 1 A 24 24 GLU HA H 24 4.170 3.994 0.176 1
1 308 . 8 1 1 A 24 24 GLU C C 24 180.900 179.496 1.404 1
1 309 . 8 1 1 A 24 24 GLU CA C 24 59.000 59.578 -0.578 1
1 310 . 8 1 1 A 24 24 GLU CB C 24 29.700 29.215 0.485 1
1 312 . 8 1 1 A 24 24 GLU N N 24 119.200 117.781 1.419 1
1 313 . 8 1 1 A 25 25 LYS H H 25 8.980 8.332 0.648 1
1 314 . 8 1 1 A 25 25 LYS HA H 25 4.050 4.014 0.036 1
1 323 . 8 1 1 A 25 25 LYS C C 25 178.600 178.276 0.324 1
1 324 . 8 1 1 A 25 25 LYS CA C 25 59.300 58.739 0.561 1
1 325 . 8 1 1 A 25 25 LYS CB C 25 32.100 32.277 -0.177 1
1 329 . 8 1 1 A 25 25 LYS N N 25 122.900 120.122 2.778 1
1 330 . 8 1 1 A 26 26 HIS H H 26 7.400 7.534 -0.134 1
1 331 . 8 1 1 A 26 26 HIS HA H 26 4.460 4.611 -0.151 1
1 336 . 8 1 1 A 26 26 HIS C C 26 173.600 174.561 -0.961 1
1 337 . 8 1 1 A 26 26 HIS CA C 26 56.500 56.706 -0.206 1
1 338 . 8 1 1 A 26 26 HIS CB C 26 29.200 30.180 -0.980 1
1 341 . 8 1 1 A 26 26 HIS N N 26 113.800 115.259 -1.459 1
1 342 . 8 1 1 A 27 27 LYS H H 27 8.200 7.948 0.252 1
1 343 . 8 1 1 A 27 27 LYS HA H 27 3.950 3.908 0.042 1
1 352 . 8 1 1 A 27 27 LYS C C 27 176.500 175.141 1.359 1
1 353 . 8 1 1 A 27 27 LYS CA C 27 56.600 57.209 -0.609 1
1 354 . 8 1 1 A 27 27 LYS CB C 27 29.600 30.963 -1.363 1
1 358 . 8 1 1 A 27 27 LYS N N 27 119.500 119.348 0.152 1
1 359 . 8 1 1 A 28 28 ALA H H 28 7.760 8.062 -0.302 1
1 360 . 8 1 1 A 28 28 ALA HA H 28 4.490 4.753 -0.263 1
1 364 . 8 1 1 A 28 28 ALA CA C 28 51.000 49.569 1.431 1
1 365 . 8 1 1 A 28 28 ALA CB C 28 19.200 20.456 -1.256 1
1 366 . 8 1 1 A 28 28 ALA N N 28 121.500 121.800 -0.300 1
1 367 . 8 1 1 A 29 29 PRO HA H 29 4.720 4.556 0.164 1
1 374 . 8 1 1 A 29 29 PRO C C 29 177.400 177.330 0.070 1
1 375 . 8 1 1 A 29 29 PRO CA C 29 62.100 62.633 -0.533 1
1 376 . 8 1 1 A 29 29 PRO CB C 29 33.000 33.011 -0.011 1
1 379 . 8 1 1 A 30 30 THR H H 30 8.830 8.400 0.430 1
1 380 . 8 1 1 A 30 30 THR HA H 30 3.680 4.172 -0.492 1
1 385 . 8 1 1 A 30 30 THR C C 30 175.200 175.741 -0.541 1
1 386 . 8 1 1 A 30 30 THR CA C 30 67.400 65.666 1.734 1
1 387 . 8 1 1 A 30 30 THR CB C 30 68.500 68.783 -0.283 1
1 389 . 8 1 1 A 30 30 THR N N 30 120.400 117.358 3.042 1
1 390 . 8 1 1 A 31 31 ASP H H 31 8.880 8.235 0.645 1
1 391 . 8 1 1 A 31 31 ASP HA H 31 4.220 4.439 -0.219 1
1 394 . 8 1 1 A 31 31 ASP C C 31 179.000 178.653 0.347 1
1 395 . 8 1 1 A 31 31 ASP CA C 31 57.400 57.428 -0.028 1
1 396 . 8 1 1 A 31 31 ASP CB C 31 38.700 40.505 -1.805 1
1 397 . 8 1 1 A 31 31 ASP N N 31 118.600 120.658 -2.058 1
1 398 . 8 1 1 A 32 32 LEU H H 32 7.540 7.842 -0.302 1
1 399 . 8 1 1 A 32 32 LEU HA H 32 3.970 4.113 -0.143 1
1 409 . 8 1 1 A 32 32 LEU C C 32 178.100 178.402 -0.302 1
1 410 . 8 1 1 A 32 32 LEU CA C 32 57.500 57.725 -0.225 1
1 411 . 8 1 1 A 32 32 LEU CB C 32 40.600 41.514 -0.914 1
1 415 . 8 1 1 A 32 32 LEU N N 32 124.300 121.198 3.102 1
1 416 . 8 1 1 A 33 33 SER H H 33 8.420 8.622 -0.202 1
1 417 . 8 1 1 A 33 33 SER HA H 33 3.860 4.165 -0.305 1
1 420 . 8 1 1 A 33 33 SER C C 33 175.900 177.721 -1.821 1
1 421 . 8 1 1 A 33 33 SER CA C 33 63.100 61.584 1.516 1
1 422 . 8 1 1 A 33 33 SER CB C 33 62.900 62.385 0.515 1
1 423 . 8 1 1 A 33 33 SER N N 33 116.000 115.743 0.257 1
1 424 . 8 1 1 A 34 34 LEU H H 34 8.400 8.461 -0.061 1
1 425 . 8 1 1 A 34 34 LEU HA H 34 4.010 4.032 -0.022 1
1 435 . 8 1 1 A 34 34 LEU C C 34 179.500 179.114 0.386 1
1 436 . 8 1 1 A 34 34 LEU CA C 34 58.700 57.836 0.864 1
1 437 . 8 1 1 A 34 34 LEU CB C 34 41.500 41.209 0.291 1
1 441 . 8 1 1 A 34 34 LEU N N 34 120.400 122.618 -2.218 1
1 442 . 8 1 1 A 35 35 MET H H 35 7.970 8.176 -0.206 1
1 443 . 8 1 1 A 35 35 MET HA H 35 4.210 4.188 0.022 1
1 451 . 8 1 1 A 35 35 MET C C 35 178.900 177.734 1.166 1
1 452 . 8 1 1 A 35 35 MET CA C 35 59.100 58.626 0.474 1
1 453 . 8 1 1 A 35 35 MET CB C 35 33.100 32.315 0.785 1
1 456 . 8 1 1 A 35 35 MET N N 35 120.300 118.539 1.761 1
1 457 . 8 1 1 A 36 36 ALA H H 36 8.710 7.907 0.803 1
1 458 . 8 1 1 A 36 36 ALA HA H 36 3.900 4.035 -0.135 1
1 462 . 8 1 1 A 36 36 ALA C C 36 179.700 179.884 -0.184 1
1 463 . 8 1 1 A 36 36 ALA CA C 36 55.400 55.108 0.292 1
1 464 . 8 1 1 A 36 36 ALA CB C 36 18.600 18.204 0.396 1
1 465 . 8 1 1 A 36 36 ALA N N 36 121.700 121.496 0.204 1
1 466 . 8 1 1 A 37 37 LEU H H 37 8.750 8.516 0.234 1
1 467 . 8 1 1 A 37 37 LEU HA H 37 3.980 3.926 0.054 1
1 477 . 8 1 1 A 37 37 LEU C C 37 179.600 179.167 0.433 1
1 478 . 8 1 1 A 37 37 LEU CA C 37 59.000 57.950 1.050 1
1 479 . 8 1 1 A 37 37 LEU CB C 37 42.000 42.001 -0.001 1
1 483 . 8 1 1 A 37 37 LEU N N 37 118.100 119.340 -1.240 1
1 484 . 8 1 1 A 38 38 GLY H H 38 8.780 8.630 0.150 1
1 485 . 8 1 1 A 38 38 GLY HA2 H 38 3.650 3.753 -0.103 1
1 486 . 8 1 1 A 38 38 GLY HA3 H 38 3.940 3.754 0.186 1
1 487 . 8 1 1 A 38 38 GLY C C 38 175.600 176.050 -0.450 1
1 488 . 8 1 1 A 38 38 GLY CA C 38 48.300 47.513 0.787 1
1 489 . 8 1 1 A 38 38 GLY N N 38 105.600 105.612 -0.012 1
1 490 . 8 1 1 A 39 39 ASN H H 39 8.180 7.754 0.426 1
1 491 . 8 1 1 A 39 39 ASN HA H 39 4.550 4.460 0.090 1
1 496 . 8 1 1 A 39 39 ASN C C 39 178.400 178.039 0.361 1
1 497 . 8 1 1 A 39 39 ASN CA C 39 56.000 55.958 0.042 1
1 498 . 8 1 1 A 39 39 ASN CB C 39 39.200 38.043 1.157 1
1 500 . 8 1 1 A 39 39 ASN N N 39 120.000 119.714 0.286 1
1 502 . 8 1 1 A 40 40 CYS H H 40 8.420 7.908 0.512 1
1 503 . 8 1 1 A 40 40 CYS HA H 40 4.010 4.171 -0.161 1
1 506 . 8 1 1 A 40 40 CYS C C 40 176.000 177.127 -1.127 1
1 507 . 8 1 1 A 40 40 CYS CA C 40 65.300 62.104 3.196 1
1 508 . 8 1 1 A 40 40 CYS CB C 40 27.200 26.891 0.309 1
1 509 . 8 1 1 A 40 40 CYS N N 40 120.200 119.292 0.908 1
1 510 . 8 1 1 A 41 41 VAL H H 41 7.830 8.413 -0.583 1
1 511 . 8 1 1 A 41 41 VAL HA H 41 3.250 3.452 -0.202 1
1 519 . 8 1 1 A 41 41 VAL C C 41 177.500 178.556 -1.056 1
1 520 . 8 1 1 A 41 41 VAL CA C 41 67.500 66.672 0.828 1
1 521 . 8 1 1 A 41 41 VAL CB C 41 30.800 31.442 -0.642 1
1 524 . 8 1 1 A 41 41 VAL N N 41 119.400 120.298 -0.898 1
1 525 . 8 1 1 A 42 42 THR H H 42 8.270 8.006 0.264 1
1 526 . 8 1 1 A 42 42 THR HA H 42 3.520 3.851 -0.331 1
1 531 . 8 1 1 A 42 42 THR C C 42 176.200 176.066 0.134 1
1 532 . 8 1 1 A 42 42 THR CA C 42 67.800 66.728 1.072 1
1 533 . 8 1 1 A 42 42 THR CB C 42 67.800 68.477 -0.677 1
1 535 . 8 1 1 A 42 42 THR N N 42 113.600 116.815 -3.215 1
1 536 . 8 1 1 A 43 43 HIS H H 43 8.250 7.971 0.279 1
1 537 . 8 1 1 A 43 43 HIS HA H 43 4.310 4.132 0.178 1
1 542 . 8 1 1 A 43 43 HIS C C 43 177.200 176.832 0.368 1
1 543 . 8 1 1 A 43 43 HIS CA C 43 59.300 60.046 -0.746 1
1 544 . 8 1 1 A 43 43 HIS CB C 43 28.900 29.315 -0.415 1
1 547 . 8 1 1 A 43 43 HIS N N 43 120.000 122.677 -2.677 1
1 550 . 8 1 1 A 44 44 LEU H H 44 8.070 8.028 0.042 1
1 551 . 8 1 1 A 44 44 LEU HA H 44 3.960 3.934 0.026 1
1 561 . 8 1 1 A 44 44 LEU C C 44 179.300 179.062 0.238 1
1 562 . 8 1 1 A 44 44 LEU CA C 44 58.400 57.930 0.470 1
1 563 . 8 1 1 A 44 44 LEU CB C 44 42.200 41.467 0.733 1
1 567 . 8 1 1 A 44 44 LEU N N 44 119.400 119.912 -0.512 1
1 568 . 8 1 1 A 45 45 LEU H H 45 8.410 8.044 0.366 1
1 569 . 8 1 1 A 45 45 LEU HA H 45 3.850 3.750 0.100 1
1 579 . 8 1 1 A 45 45 LEU C C 45 178.700 178.980 -0.280 1
1 580 . 8 1 1 A 45 45 LEU CA C 45 58.200 58.101 0.099 1
1 581 . 8 1 1 A 45 45 LEU CB C 45 41.800 41.529 0.271 1
1 585 . 8 1 1 A 45 45 LEU N N 45 118.100 118.874 -0.774 1
1 586 . 8 1 1 A 46 46 GLU H H 46 8.120 7.996 0.124 1
1 587 . 8 1 1 A 46 46 GLU HA H 46 3.740 4.040 -0.300 1
1 592 . 8 1 1 A 46 46 GLU C C 46 178.000 178.025 -0.025 1
1 593 . 8 1 1 A 46 46 GLU CA C 46 58.900 58.865 0.035 1
1 594 . 8 1 1 A 46 46 GLU CB C 46 29.700 29.309 0.391 1
1 596 . 8 1 1 A 46 46 GLU N N 46 115.000 118.282 -3.282 1
1 597 . 8 1 1 A 47 47 ARG H H 47 7.740 7.777 -0.037 1
1 598 . 8 1 1 A 47 47 ARG HA H 47 4.270 4.372 -0.102 1
1 606 . 8 1 1 A 47 47 ARG C C 47 178.500 177.648 0.852 1
1 607 . 8 1 1 A 47 47 ARG CA C 47 57.000 57.279 -0.279 1
1 608 . 8 1 1 A 47 47 ARG CB C 47 31.600 31.490 0.110 1
1 611 . 8 1 1 A 47 47 ARG N N 47 114.000 118.615 -4.615 1
1 613 . 8 1 1 A 48 48 LYS H H 48 8.210 8.159 0.051 1
1 614 . 8 1 1 A 48 48 LYS HA H 48 4.620 4.165 0.455 1
1 623 . 8 1 1 A 48 48 LYS C C 48 176.400 176.381 0.019 1
1 624 . 8 1 1 A 48 48 LYS CA C 48 55.500 57.437 -1.937 1
1 625 . 8 1 1 A 48 48 LYS CB C 48 34.500 32.541 1.959 1
1 629 . 8 1 1 A 48 48 LYS N N 48 114.000 118.672 -4.672 1
1 630 . 8 1 1 A 49 49 VAL H H 49 7.630 7.263 0.367 1
1 631 . 8 1 1 A 49 49 VAL HA H 49 4.710 4.342 0.368 1
1 639 . 8 1 1 A 49 49 VAL CA C 49 59.400 58.488 0.912 1
1 640 . 8 1 1 A 49 49 VAL CB C 49 33.600 34.025 -0.425 1
1 643 . 8 1 1 A 49 49 VAL N N 49 121.800 120.788 1.012 1
1 644 . 8 1 1 A 50 50 PRO HA H 50 4.460 4.494 -0.034 1
1 651 . 8 1 1 A 50 50 PRO C C 50 177.900 177.714 0.186 1
1 652 . 8 1 1 A 50 50 PRO CA C 50 63.200 62.914 0.286 1
1 653 . 8 1 1 A 50 50 PRO CB C 50 32.900 32.628 0.272 1
1 656 . 8 1 1 A 51 51 SER H H 51 8.950 8.738 0.212 1
1 657 . 8 1 1 A 51 51 SER HA H 51 3.910 4.171 -0.261 1
1 660 . 8 1 1 A 51 51 SER C C 51 176.300 176.512 -0.212 1
1 661 . 8 1 1 A 51 51 SER CA C 51 62.800 61.623 1.177 1
1 662 . 8 1 1 A 51 51 SER CB C 51 62.700 63.054 -0.354 1
1 663 . 8 1 1 A 51 51 SER N N 51 119.000 118.336 0.664 1
1 664 . 8 1 1 A 52 52 GLU H H 52 9.480 8.040 1.440 1
1 665 . 8 1 1 A 52 52 GLU HA H 52 4.220 4.216 0.004 1
1 670 . 8 1 1 A 52 52 GLU C C 52 177.000 177.377 -0.377 1
1 671 . 8 1 1 A 52 52 GLU CA C 52 59.200 58.759 0.441 1
1 672 . 8 1 1 A 52 52 GLU CB C 52 28.700 29.054 -0.354 1
1 674 . 8 1 1 A 52 52 GLU N N 52 118.900 121.923 -3.023 1
1 675 . 8 1 1 A 53 53 SER H H 53 7.770 7.929 -0.159 1
1 676 . 8 1 1 A 53 53 SER HA H 53 4.940 4.442 0.498 1
1 679 . 8 1 1 A 53 53 SER C C 53 174.200 176.044 -1.844 1
1 680 . 8 1 1 A 53 53 SER CA C 53 58.200 59.925 -1.725 1
1 681 . 8 1 1 A 53 53 SER CB C 53 64.800 63.954 0.846 1
1 682 . 8 1 1 A 53 53 SER N N 53 112.500 116.649 -4.149 1
1 683 . 8 1 1 A 54 54 ARG H H 54 7.380 7.810 -0.430 1
1 684 . 8 1 1 A 54 54 ARG HA H 54 3.630 4.079 -0.449 1
1 696 . 8 1 1 A 54 54 ARG C C 54 177.200 178.960 -1.760 1
1 697 . 8 1 1 A 54 54 ARG CA C 54 61.400 59.402 1.998 1
1 698 . 8 1 1 A 54 54 ARG CB C 54 31.200 29.899 1.301 1
1 701 . 8 1 1 A 54 54 ARG N N 54 122.100 121.636 0.464 1
1 703 . 8 1 1 A 55 55 GLN H H 55 9.010 7.957 1.053 1
1 704 . 8 1 1 A 55 55 GLN HA H 55 3.840 4.048 -0.208 1
1 711 . 8 1 1 A 55 55 GLN C C 55 178.000 178.515 -0.515 1
1 712 . 8 1 1 A 55 55 GLN CA C 55 59.700 58.577 1.123 1
1 713 . 8 1 1 A 55 55 GLN CB C 55 28.100 28.759 -0.659 1
1 716 . 8 1 1 A 55 55 GLN N N 55 118.000 119.027 -1.027 1
1 718 . 8 1 1 A 56 56 ALA H H 56 8.280 8.186 0.094 1
1 719 . 8 1 1 A 56 56 ALA HA H 56 4.190 4.035 0.155 1
1 723 . 8 1 1 A 56 56 ALA C C 56 181.200 179.949 1.251 1
1 724 . 8 1 1 A 56 56 ALA CA C 56 55.200 55.274 -0.074 1
1 725 . 8 1 1 A 56 56 ALA CB C 56 17.900 18.112 -0.212 1
1 726 . 8 1 1 A 56 56 ALA N N 56 122.300 122.208 0.092 1
1 727 . 8 1 1 A 57 57 VAL H H 57 8.150 8.647 -0.497 1
1 728 . 8 1 1 A 57 57 VAL HA H 57 3.740 3.513 0.227 1
1 736 . 8 1 1 A 57 57 VAL C C 57 178.900 178.172 0.728 1
1 737 . 8 1 1 A 57 57 VAL CA C 57 66.700 66.459 0.241 1
1 738 . 8 1 1 A 57 57 VAL CB C 57 31.700 31.588 0.112 1
1 741 . 8 1 1 A 57 57 VAL N N 57 119.600 118.726 0.874 1
1 742 . 8 1 1 A 58 58 ALA H H 58 8.370 7.762 0.608 1
1 743 . 8 1 1 A 58 58 ALA HA H 58 3.910 4.045 -0.135 1
1 747 . 8 1 1 A 58 58 ALA C C 58 179.500 179.570 -0.070 1
1 748 . 8 1 1 A 58 58 ALA CA C 58 55.800 55.415 0.385 1
1 749 . 8 1 1 A 58 58 ALA CB C 58 18.500 17.926 0.574 1
1 750 . 8 1 1 A 58 58 ALA N N 58 123.000 121.900 1.100 1
1 751 . 8 1 1 A 59 59 GLU H H 59 8.630 8.529 0.101 1
1 752 . 8 1 1 A 59 59 GLU HA H 59 4.100 4.082 0.018 1
1 757 . 8 1 1 A 59 59 GLU C C 59 179.400 179.050 0.350 1
1 758 . 8 1 1 A 59 59 GLU CA C 59 59.600 59.580 0.020 1
1 759 . 8 1 1 A 59 59 GLU CB C 59 29.300 29.242 0.058 1
1 761 . 8 1 1 A 59 59 GLU N N 59 118.400 118.906 -0.506 1
1 762 . 8 1 1 A 60 60 GLN H H 60 8.280 8.168 0.112 1
1 763 . 8 1 1 A 60 60 GLN HA H 60 4.090 4.106 -0.016 1
1 770 . 8 1 1 A 60 60 GLN C C 60 178.700 178.710 -0.010 1
1 771 . 8 1 1 A 60 60 GLN CA C 60 59.100 58.752 0.348 1
1 772 . 8 1 1 A 60 60 GLN CB C 60 28.100 28.158 -0.058 1
1 775 . 8 1 1 A 60 60 GLN N N 60 120.400 119.516 0.884 1
1 777 . 8 1 1 A 61 61 PHE H H 61 8.400 8.809 -0.409 1
1 778 . 8 1 1 A 61 61 PHE HA H 61 4.160 4.347 -0.187 1
1 786 . 8 1 1 A 61 61 PHE C C 61 177.600 177.663 -0.063 1
1 787 . 8 1 1 A 61 61 PHE CA C 61 61.400 61.755 -0.355 1
1 788 . 8 1 1 A 61 61 PHE CB C 61 39.100 39.358 -0.258 1
1 794 . 8 1 1 A 61 61 PHE N N 61 122.000 121.402 0.598 1
1 795 . 8 1 1 A 62 62 ALA H H 62 8.620 8.535 0.085 1
1 796 . 8 1 1 A 62 62 ALA HA H 62 3.980 4.043 -0.063 1
1 800 . 8 1 1 A 62 62 ALA C C 62 179.700 179.869 -0.169 1
1 801 . 8 1 1 A 62 62 ALA CA C 62 55.500 55.471 0.029 1
1 802 . 8 1 1 A 62 62 ALA CB C 62 18.900 18.088 0.812 1
1 803 . 8 1 1 A 62 62 ALA N N 62 122.000 121.788 0.212 1
1 804 . 8 1 1 A 63 63 LYS H H 63 8.470 7.796 0.674 1
1 805 . 8 1 1 A 63 63 LYS HA H 63 4.050 3.991 0.059 1
1 814 . 8 1 1 A 63 63 LYS C C 63 179.200 179.156 0.044 1
1 815 . 8 1 1 A 63 63 LYS CA C 63 59.600 59.026 0.574 1
1 816 . 8 1 1 A 63 63 LYS CB C 63 32.600 32.209 0.391 1
1 820 . 8 1 1 A 63 63 LYS N N 63 119.500 116.715 2.785 1
1 821 . 8 1 1 A 64 64 ALA H H 64 8.000 8.324 -0.324 1
1 822 . 8 1 1 A 64 64 ALA HA H 64 4.100 4.032 0.068 1
1 826 . 8 1 1 A 64 64 ALA C C 64 180.700 180.043 0.657 1
1 827 . 8 1 1 A 64 64 ALA CA C 64 55.000 54.881 0.119 1
1 828 . 8 1 1 A 64 64 ALA CB C 64 17.700 17.911 -0.211 1
1 829 . 8 1 1 A 64 64 ALA N N 64 122.000 122.039 -0.039 1
1 830 . 8 1 1 A 65 65 LEU H H 65 7.830 8.272 -0.442 1
1 831 . 8 1 1 A 65 65 LEU HA H 65 3.950 3.897 0.053 1
1 841 . 8 1 1 A 65 65 LEU C C 65 178.900 178.301 0.599 1
1 842 . 8 1 1 A 65 65 LEU CA C 65 57.800 57.434 0.366 1
1 843 . 8 1 1 A 65 65 LEU CB C 65 41.700 41.459 0.241 1
1 847 . 8 1 1 A 65 65 LEU N N 65 120.600 120.280 0.320 1
1 848 . 8 1 1 A 66 66 ALA H H 66 7.990 8.538 -0.548 1
1 849 . 8 1 1 A 66 66 ALA HA H 66 3.840 4.039 -0.199 1
1 853 . 8 1 1 A 66 66 ALA C C 66 180.300 178.904 1.396 1
1 854 . 8 1 1 A 66 66 ALA CA C 66 55.500 55.213 0.287 1
1 855 . 8 1 1 A 66 66 ALA CB C 66 17.900 18.877 -0.977 1
1 856 . 8 1 1 A 66 66 ALA N N 66 120.900 121.907 -1.007 1
1 857 . 8 1 1 A 67 67 GLN H H 67 8.140 8.443 -0.303 1
1 858 . 8 1 1 A 67 67 GLN HA H 67 4.070 4.001 0.069 1
1 865 . 8 1 1 A 67 67 GLN C C 67 178.400 178.404 -0.004 1
1 866 . 8 1 1 A 67 67 GLN CA C 67 58.300 58.795 -0.495 1
1 867 . 8 1 1 A 67 67 GLN CB C 67 28.400 28.453 -0.053 1
1 870 . 8 1 1 A 67 67 GLN N N 67 116.600 118.327 -1.727 1
1 872 . 8 1 1 A 68 68 SER H H 68 8.120 8.009 0.111 1
1 873 . 8 1 1 A 68 68 SER HA H 68 4.220 4.098 0.122 1
1 876 . 8 1 1 A 68 68 SER C C 68 176.500 176.280 0.220 1
1 877 . 8 1 1 A 68 68 SER CA C 68 61.500 62.652 -1.152 1
1 878 . 8 1 1 A 68 68 SER CB C 68 63.000 62.962 0.038 1
1 879 . 8 1 1 A 68 68 SER N N 68 116.700 117.000 -0.300 1
1 880 . 8 1 1 A 69 69 VAL H H 69 7.660 7.894 -0.234 1
1 881 . 8 1 1 A 69 69 VAL HA H 69 3.860 3.500 0.360 1
1 889 . 8 1 1 A 69 69 VAL C C 69 177.400 177.934 -0.534 1
1 890 . 8 1 1 A 69 69 VAL CA C 69 64.900 66.772 -1.872 1
1 891 . 8 1 1 A 69 69 VAL CB C 69 31.900 31.526 0.374 1
1 894 . 8 1 1 A 69 69 VAL N N 69 119.800 121.649 -1.849 1
1 895 . 8 1 1 A 70 70 LYS H H 70 7.860 8.438 -0.578 1
1 896 . 8 1 1 A 70 70 LYS HA H 70 4.040 4.145 -0.105 1
1 905 . 8 1 1 A 70 70 LYS C C 70 178.400 177.819 0.581 1
1 906 . 8 1 1 A 70 70 LYS CA C 70 59.200 59.388 -0.188 1
1 907 . 8 1 1 A 70 70 LYS CB C 70 32.800 31.988 0.812 1
1 911 . 8 1 1 A 70 70 LYS N N 70 121.300 120.314 0.986 1
1 912 . 8 1 1 A 71 71 SER H H 71 8.390 8.058 0.332 1
1 913 . 8 1 1 A 71 71 SER HA H 71 4.280 4.386 -0.106 1
1 916 . 8 1 1 A 71 71 SER C C 71 176.000 175.291 0.709 1
1 917 . 8 1 1 A 71 71 SER CA C 71 60.700 59.786 0.914 1
1 918 . 8 1 1 A 71 71 SER CB C 71 63.300 63.655 -0.355 1
1 919 . 8 1 1 A 71 71 SER N N 71 114.400 116.516 -2.116 1
1 920 . 8 1 1 A 72 72 ASN H H 72 7.940 8.198 -0.258 1
1 921 . 8 1 1 A 72 72 ASN HA H 72 4.630 4.486 0.144 1
1 926 . 8 1 1 A 72 72 ASN C C 72 176.700 176.935 -0.235 1
1 927 . 8 1 1 A 72 72 ASN CA C 72 55.000 56.102 -1.102 1
1 928 . 8 1 1 A 72 72 ASN CB C 72 39.000 38.986 0.014 1
1 930 . 8 1 1 A 72 72 ASN N N 72 119.700 120.019 -0.319 1
1 932 . 8 1 1 A 73 73 LEU H H 73 7.900 7.667 0.233 1
1 933 . 8 1 1 A 73 73 LEU HA H 73 4.180 4.174 0.006 1
1 943 . 8 1 1 A 73 73 LEU C C 73 178.400 177.111 1.289 1
1 944 . 8 1 1 A 73 73 LEU CA C 73 56.700 56.648 0.052 1
1 945 . 8 1 1 A 73 73 LEU CB C 73 42.300 42.595 -0.295 1
1 949 . 8 1 1 A 73 73 LEU N N 73 121.000 119.590 1.410 1
1 950 . 8 1 1 A 74 74 GLU H H 74 8.060 8.023 0.037 1
1 951 . 8 1 1 A 74 74 GLU HA H 74 4.120 4.094 0.026 1
1 956 . 8 1 1 A 74 74 GLU C C 74 177.100 175.889 1.211 1
1 957 . 8 1 1 A 74 74 GLU CA C 74 57.400 58.294 -0.894 1
1 958 . 8 1 1 A 74 74 GLU CB C 74 29.900 28.670 1.230 1
1 960 . 8 1 1 A 74 74 GLU N N 74 119.300 117.257 2.043 1
1 961 . 8 1 1 A 75 75 HIS H H 75 8.140 8.412 -0.272 1
1 962 . 8 1 1 A 75 75 HIS HA H 75 4.590 4.657 -0.067 1
1 966 . 8 1 1 A 75 75 HIS C C 75 174.900 174.195 0.705 1
1 967 . 8 1 1 A 75 75 HIS CA C 75 56.100 55.178 0.922 1
1 968 . 8 1 1 A 75 75 HIS CB C 75 29.000 28.274 0.726 1
1 970 . 8 1 1 A 75 75 HIS N N 75 117.500 117.768 -0.268 1
1 971 . 8 1 1 A 76 76 HIS H H 76 8.240 8.656 -0.416 1
1 972 . 8 1 1 A 76 76 HIS C C 76 174.500 173.360 1.140 1
1 973 . 8 1 1 A 76 76 HIS CA C 76 55.900 54.725 1.175 1
1 974 . 8 1 1 A 76 76 HIS CB C 76 29.300 32.911 -3.611 1
1 975 . 8 1 1 A 76 76 HIS N N 76 118.300 122.763 -4.463 1
1 976 . 8 1 1 A 77 77 HIS H H 77 8.400 8.402 -0.002 1
1 977 . 8 1 1 A 77 77 HIS HA H 77 4.640 4.688 -0.048 1
1 980 . 8 1 1 A 77 77 HIS C C 77 173.700 174.794 -1.094 1
1 981 . 8 1 1 A 77 77 HIS CA C 77 55.700 54.976 0.724 1
1 982 . 8 1 1 A 77 77 HIS CB C 77 29.700 29.285 0.415 1
1 983 . 8 1 1 A 77 77 HIS N N 77 119.300 128.164 -8.864 1
1 984 . 8 1 1 A 78 78 HIS H H 78 8.330 8.436 -0.106 1
1 985 . 8 1 1 A 78 78 HIS CA C 78 57.200 58.023 -0.823 1
1 986 . 8 1 1 A 78 78 HIS CB C 78 29.900 28.247 1.653 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 4.140 4.453 -0.313 1
1 5 . 9 1 1 A 2 2 ALA C C 2 173.800 177.598 -3.798 1
1 6 . 9 1 1 A 2 2 ALA CA C 2 51.800 50.642 1.158 1
1 7 . 9 1 1 A 2 2 ALA CB C 2 19.600 18.462 1.138 1
1 8 . 9 1 1 A 3 3 ILE H H 3 8.540 8.444 0.096 1
1 9 . 9 1 1 A 3 3 ILE HA H 3 4.190 3.781 0.409 1
1 19 . 9 1 1 A 3 3 ILE C C 3 176.000 176.312 -0.312 1
1 20 . 9 1 1 A 3 3 ILE CA C 3 61.300 64.869 -3.569 1
1 21 . 9 1 1 A 3 3 ILE CB C 3 38.800 37.689 1.111 1
1 25 . 9 1 1 A 3 3 ILE N N 3 120.500 124.168 -3.668 1
1 26 . 9 1 1 A 4 4 GLN H H 4 8.570 7.836 0.734 1
1 27 . 9 1 1 A 4 4 GLN HA H 4 4.400 4.077 0.323 1
1 34 . 9 1 1 A 4 4 GLN C C 4 175.700 174.472 1.228 1
1 35 . 9 1 1 A 4 4 GLN CA C 4 55.800 57.784 -1.984 1
1 36 . 9 1 1 A 4 4 GLN CB C 4 29.600 27.188 2.412 1
1 39 . 9 1 1 A 4 4 GLN N N 4 125.100 120.178 4.922 1
1 41 . 9 1 1 A 5 5 SER H H 5 8.440 8.446 -0.006 1
1 42 . 9 1 1 A 5 5 SER HA H 5 4.420 4.715 -0.295 1
1 45 . 9 1 1 A 5 5 SER C C 5 174.300 174.075 0.225 1
1 46 . 9 1 1 A 5 5 SER CA C 5 58.200 57.783 0.417 1
1 47 . 9 1 1 A 5 5 SER CB C 5 64.000 62.434 1.566 1
1 48 . 9 1 1 A 5 5 SER N N 5 118.100 117.003 1.097 1
1 49 . 9 1 1 A 6 6 LYS H H 6 8.320 8.174 0.146 1
1 50 . 9 1 1 A 6 6 LYS HA H 6 4.110 4.230 -0.120 1
1 59 . 9 1 1 A 6 6 LYS C C 6 176.000 176.546 -0.546 1
1 60 . 9 1 1 A 6 6 LYS CA C 6 57.200 58.153 -0.953 1
1 61 . 9 1 1 A 6 6 LYS CB C 6 33.100 32.616 0.484 1
1 65 . 9 1 1 A 6 6 LYS N N 6 123.600 126.216 -2.616 1
1 66 . 9 1 1 A 7 7 TYR H H 7 8.000 7.779 0.221 1
1 67 . 9 1 1 A 7 7 TYR HA H 7 4.800 4.778 0.022 1
1 74 . 9 1 1 A 7 7 TYR C C 7 175.800 175.667 0.133 1
1 75 . 9 1 1 A 7 7 TYR CA C 7 57.000 57.012 -0.012 1
1 76 . 9 1 1 A 7 7 TYR CB C 7 39.900 37.618 2.282 1
1 81 . 9 1 1 A 7 7 TYR N N 7 118.900 117.760 1.140 1
1 82 . 9 1 1 A 8 8 SER H H 8 8.770 8.767 0.003 1
1 83 . 9 1 1 A 8 8 SER HA H 8 4.510 4.729 -0.219 1
1 86 . 9 1 1 A 8 8 SER C C 8 175.000 175.749 -0.749 1
1 87 . 9 1 1 A 8 8 SER CA C 8 57.500 57.633 -0.133 1
1 88 . 9 1 1 A 8 8 SER CB C 8 64.700 64.666 0.034 1
1 89 . 9 1 1 A 8 8 SER N N 8 118.600 119.522 -0.922 1
1 90 . 9 1 1 A 9 9 ASN H H 9 8.910 9.018 -0.108 1
1 91 . 9 1 1 A 9 9 ASN HA H 9 4.540 4.408 0.132 1
1 96 . 9 1 1 A 9 9 ASN C C 9 177.200 177.511 -0.311 1
1 97 . 9 1 1 A 9 9 ASN CA C 9 55.900 56.020 -0.120 1
1 98 . 9 1 1 A 9 9 ASN CB C 9 38.200 37.521 0.679 1
1 100 . 9 1 1 A 9 9 ASN N N 9 121.400 120.851 0.549 1
1 102 . 9 1 1 A 10 10 THR H H 10 8.180 7.982 0.198 1
1 103 . 9 1 1 A 10 10 THR HA H 10 4.070 3.846 0.224 1
1 108 . 9 1 1 A 10 10 THR C C 10 176.600 176.239 0.361 1
1 109 . 9 1 1 A 10 10 THR CA C 10 65.300 67.267 -1.967 1
1 110 . 9 1 1 A 10 10 THR CB C 10 68.800 68.531 0.269 1
1 112 . 9 1 1 A 10 10 THR N N 10 113.500 116.784 -3.284 1
1 113 . 9 1 1 A 11 11 GLN H H 11 7.950 7.749 0.201 1
1 114 . 9 1 1 A 11 11 GLN HA H 11 4.160 3.936 0.224 1
1 121 . 9 1 1 A 11 11 GLN C C 11 178.400 178.523 -0.123 1
1 122 . 9 1 1 A 11 11 GLN CA C 11 59.000 59.114 -0.114 1
1 123 . 9 1 1 A 11 11 GLN CB C 11 29.200 28.379 0.821 1
1 126 . 9 1 1 A 11 11 GLN N N 11 122.500 122.036 0.464 1
1 128 . 9 1 1 A 12 12 VAL H H 12 7.850 8.054 -0.204 1
1 129 . 9 1 1 A 12 12 VAL HA H 12 3.540 3.470 0.070 1
1 137 . 9 1 1 A 12 12 VAL C C 12 177.400 177.960 -0.560 1
1 138 . 9 1 1 A 12 12 VAL CA C 12 66.400 66.394 0.006 1
1 139 . 9 1 1 A 12 12 VAL CB C 12 32.300 31.786 0.514 1
1 142 . 9 1 1 A 12 12 VAL N N 12 119.000 120.126 -1.126 1
1 143 . 9 1 1 A 13 13 GLU H H 13 8.550 8.727 -0.177 1
1 144 . 9 1 1 A 13 13 GLU HA H 13 3.910 3.914 -0.004 1
1 149 . 9 1 1 A 13 13 GLU C C 13 179.500 179.152 0.348 1
1 150 . 9 1 1 A 13 13 GLU CA C 13 59.700 59.735 -0.035 1
1 151 . 9 1 1 A 13 13 GLU CB C 13 29.100 29.187 -0.087 1
1 153 . 9 1 1 A 13 13 GLU N N 13 118.300 119.576 -1.276 1
1 154 . 9 1 1 A 14 14 SER H H 14 8.080 7.894 0.186 1
1 155 . 9 1 1 A 14 14 SER HA H 14 4.260 4.263 -0.003 1
1 158 . 9 1 1 A 14 14 SER C C 14 176.200 177.317 -1.117 1
1 159 . 9 1 1 A 14 14 SER CA C 14 61.700 61.159 0.541 1
1 160 . 9 1 1 A 14 14 SER CB C 14 62.800 63.012 -0.212 1
1 161 . 9 1 1 A 14 14 SER N N 14 114.600 115.453 -0.853 1
1 162 . 9 1 1 A 15 15 LEU H H 15 7.110 8.085 -0.975 1
1 163 . 9 1 1 A 15 15 LEU HA H 15 3.690 4.075 -0.385 1
1 173 . 9 1 1 A 15 15 LEU C C 15 177.800 178.678 -0.878 1
1 174 . 9 1 1 A 15 15 LEU CA C 15 57.700 57.962 -0.262 1
1 175 . 9 1 1 A 15 15 LEU CB C 15 42.300 41.504 0.796 1
1 179 . 9 1 1 A 15 15 LEU N N 15 122.200 122.647 -0.447 1
1 180 . 9 1 1 A 16 16 ILE H H 16 8.030 8.629 -0.599 1
1 181 . 9 1 1 A 16 16 ILE HA H 16 3.220 3.671 -0.451 1
1 191 . 9 1 1 A 16 16 ILE C C 16 177.200 177.665 -0.465 1
1 192 . 9 1 1 A 16 16 ILE CA C 16 66.000 65.807 0.193 1
1 193 . 9 1 1 A 16 16 ILE CB C 16 39.100 37.851 1.249 1
1 197 . 9 1 1 A 16 16 ILE N N 16 117.900 120.024 -2.124 1
1 198 . 9 1 1 A 17 17 ALA H H 17 7.960 8.519 -0.559 1
1 199 . 9 1 1 A 17 17 ALA HA H 17 3.930 3.961 -0.031 1
1 203 . 9 1 1 A 17 17 ALA C C 17 180.600 180.137 0.463 1
1 204 . 9 1 1 A 17 17 ALA CA C 17 55.400 55.632 -0.232 1
1 205 . 9 1 1 A 17 17 ALA CB C 17 18.000 18.284 -0.284 1
1 206 . 9 1 1 A 17 17 ALA N N 17 118.300 122.107 -3.807 1
1 207 . 9 1 1 A 18 18 GLU H H 18 7.630 8.215 -0.585 1
1 208 . 9 1 1 A 18 18 GLU HA H 18 4.030 4.023 0.007 1
1 213 . 9 1 1 A 18 18 GLU C C 18 179.400 179.458 -0.058 1
1 214 . 9 1 1 A 18 18 GLU CA C 18 59.800 59.438 0.362 1
1 215 . 9 1 1 A 18 18 GLU CB C 18 30.300 29.398 0.902 1
1 217 . 9 1 1 A 18 18 GLU N N 18 116.300 118.086 -1.786 1
1 218 . 9 1 1 A 19 19 ILE H H 19 8.110 7.847 0.263 1
1 219 . 9 1 1 A 19 19 ILE HA H 19 3.590 3.662 -0.072 1
1 229 . 9 1 1 A 19 19 ILE C C 19 177.800 178.691 -0.891 1
1 230 . 9 1 1 A 19 19 ILE CA C 19 66.500 65.576 0.924 1
1 231 . 9 1 1 A 19 19 ILE CB C 19 37.500 37.662 -0.162 1
1 235 . 9 1 1 A 19 19 ILE N N 19 121.100 120.874 0.226 1
1 236 . 9 1 1 A 20 20 LEU H H 20 8.480 7.998 0.482 1
1 237 . 9 1 1 A 20 20 LEU HA H 20 4.020 4.027 -0.007 1
1 247 . 9 1 1 A 20 20 LEU C C 20 180.500 178.981 1.519 1
1 248 . 9 1 1 A 20 20 LEU CA C 20 58.600 58.048 0.552 1
1 249 . 9 1 1 A 20 20 LEU CB C 20 40.400 41.645 -1.245 1
1 253 . 9 1 1 A 20 20 LEU N N 20 118.300 119.030 -0.730 1
1 254 . 9 1 1 A 21 21 VAL H H 21 7.810 8.409 -0.599 1
1 255 . 9 1 1 A 21 21 VAL HA H 21 3.770 3.594 0.176 1
1 263 . 9 1 1 A 21 21 VAL C C 21 178.200 178.358 -0.158 1
1 264 . 9 1 1 A 21 21 VAL CA C 21 66.800 66.836 -0.036 1
1 265 . 9 1 1 A 21 21 VAL CB C 21 31.600 31.439 0.161 1
1 268 . 9 1 1 A 21 21 VAL N N 21 119.700 119.409 0.291 1
1 269 . 9 1 1 A 22 22 VAL H H 22 7.530 7.953 -0.423 1
1 270 . 9 1 1 A 22 22 VAL HA H 22 3.610 3.542 0.068 1
1 278 . 9 1 1 A 22 22 VAL C C 22 178.500 178.125 0.375 1
1 279 . 9 1 1 A 22 22 VAL CA C 22 67.300 67.046 0.254 1
1 280 . 9 1 1 A 22 22 VAL CB C 22 31.500 31.596 -0.096 1
1 283 . 9 1 1 A 22 22 VAL N N 22 121.400 120.144 1.256 1
1 284 . 9 1 1 A 23 23 LEU H H 23 7.610 7.964 -0.354 1
1 285 . 9 1 1 A 23 23 LEU HA H 23 3.880 3.852 0.028 1
1 295 . 9 1 1 A 23 23 LEU C C 23 179.700 179.303 0.397 1
1 296 . 9 1 1 A 23 23 LEU CA C 23 58.400 58.706 -0.306 1
1 297 . 9 1 1 A 23 23 LEU CB C 23 40.900 41.786 -0.886 1
1 301 . 9 1 1 A 23 23 LEU N N 23 116.800 119.015 -2.215 1
1 302 . 9 1 1 A 24 24 GLU H H 24 8.160 8.584 -0.424 1
1 303 . 9 1 1 A 24 24 GLU HA H 24 4.170 3.969 0.201 1
1 308 . 9 1 1 A 24 24 GLU C C 24 180.900 179.074 1.826 1
1 309 . 9 1 1 A 24 24 GLU CA C 24 59.000 59.598 -0.598 1
1 310 . 9 1 1 A 24 24 GLU CB C 24 29.700 29.253 0.447 1
1 312 . 9 1 1 A 24 24 GLU N N 24 119.200 119.408 -0.208 1
1 313 . 9 1 1 A 25 25 LYS H H 25 8.980 8.369 0.611 1
1 314 . 9 1 1 A 25 25 LYS HA H 25 4.050 4.073 -0.023 1
1 323 . 9 1 1 A 25 25 LYS C C 25 178.600 178.208 0.392 1
1 324 . 9 1 1 A 25 25 LYS CA C 25 59.300 58.772 0.528 1
1 325 . 9 1 1 A 25 25 LYS CB C 25 32.100 32.202 -0.102 1
1 329 . 9 1 1 A 25 25 LYS N N 25 122.900 119.403 3.497 1
1 330 . 9 1 1 A 26 26 HIS H H 26 7.400 7.447 -0.047 1
1 331 . 9 1 1 A 26 26 HIS HA H 26 4.460 4.616 -0.156 1
1 336 . 9 1 1 A 26 26 HIS C C 26 173.600 174.554 -0.954 1
1 337 . 9 1 1 A 26 26 HIS CA C 26 56.500 56.284 0.216 1
1 338 . 9 1 1 A 26 26 HIS CB C 26 29.200 30.142 -0.942 1
1 341 . 9 1 1 A 26 26 HIS N N 26 113.800 115.846 -2.046 1
1 342 . 9 1 1 A 27 27 LYS H H 27 8.200 7.810 0.390 1
1 343 . 9 1 1 A 27 27 LYS HA H 27 3.950 3.807 0.143 1
1 352 . 9 1 1 A 27 27 LYS C C 27 176.500 175.618 0.882 1
1 353 . 9 1 1 A 27 27 LYS CA C 27 56.600 57.435 -0.835 1
1 354 . 9 1 1 A 27 27 LYS CB C 27 29.600 29.217 0.383 1
1 358 . 9 1 1 A 27 27 LYS N N 27 119.500 115.874 3.626 1
1 359 . 9 1 1 A 28 28 ALA H H 28 7.760 7.349 0.411 1
1 360 . 9 1 1 A 28 28 ALA HA H 28 4.490 4.426 0.064 1
1 364 . 9 1 1 A 28 28 ALA CA C 28 51.000 50.804 0.196 1
1 365 . 9 1 1 A 28 28 ALA CB C 28 19.200 18.742 0.458 1
1 366 . 9 1 1 A 28 28 ALA N N 28 121.500 121.268 0.232 1
1 367 . 9 1 1 A 29 29 PRO HA H 29 4.720 4.508 0.212 1
1 374 . 9 1 1 A 29 29 PRO C C 29 177.400 177.474 -0.074 1
1 375 . 9 1 1 A 29 29 PRO CA C 29 62.100 62.736 -0.636 1
1 376 . 9 1 1 A 29 29 PRO CB C 29 33.000 32.672 0.328 1
1 379 . 9 1 1 A 30 30 THR H H 30 8.830 8.404 0.426 1
1 380 . 9 1 1 A 30 30 THR HA H 30 3.680 3.957 -0.277 1
1 385 . 9 1 1 A 30 30 THR C C 30 175.200 175.949 -0.749 1
1 386 . 9 1 1 A 30 30 THR CA C 30 67.400 65.474 1.926 1
1 387 . 9 1 1 A 30 30 THR CB C 30 68.500 68.466 0.034 1
1 389 . 9 1 1 A 30 30 THR N N 30 120.400 117.774 2.626 1
1 390 . 9 1 1 A 31 31 ASP H H 31 8.880 8.293 0.587 1
1 391 . 9 1 1 A 31 31 ASP HA H 31 4.220 4.276 -0.056 1
1 394 . 9 1 1 A 31 31 ASP C C 31 179.000 178.628 0.372 1
1 395 . 9 1 1 A 31 31 ASP CA C 31 57.400 57.633 -0.233 1
1 396 . 9 1 1 A 31 31 ASP CB C 31 38.700 41.779 -3.079 1
1 397 . 9 1 1 A 31 31 ASP N N 31 118.600 120.946 -2.346 1
1 398 . 9 1 1 A 32 32 LEU H H 32 7.540 7.771 -0.231 1
1 399 . 9 1 1 A 32 32 LEU HA H 32 3.970 4.117 -0.147 1
1 409 . 9 1 1 A 32 32 LEU C C 32 178.100 178.698 -0.598 1
1 410 . 9 1 1 A 32 32 LEU CA C 32 57.500 57.141 0.359 1
1 411 . 9 1 1 A 32 32 LEU CB C 32 40.600 41.352 -0.752 1
1 415 . 9 1 1 A 32 32 LEU N N 32 124.300 120.990 3.310 1
1 416 . 9 1 1 A 33 33 SER H H 33 8.420 8.356 0.064 1
1 417 . 9 1 1 A 33 33 SER HA H 33 3.860 4.113 -0.253 1
1 420 . 9 1 1 A 33 33 SER C C 33 175.900 177.480 -1.580 1
1 421 . 9 1 1 A 33 33 SER CA C 33 63.100 61.555 1.545 1
1 422 . 9 1 1 A 33 33 SER CB C 33 62.900 63.103 -0.203 1
1 423 . 9 1 1 A 33 33 SER N N 33 116.000 114.875 1.125 1
1 424 . 9 1 1 A 34 34 LEU H H 34 8.400 8.792 -0.392 1
1 425 . 9 1 1 A 34 34 LEU HA H 34 4.010 4.014 -0.004 1
1 435 . 9 1 1 A 34 34 LEU C C 34 179.500 178.867 0.633 1
1 436 . 9 1 1 A 34 34 LEU CA C 34 58.700 57.836 0.864 1
1 437 . 9 1 1 A 34 34 LEU CB C 34 41.500 41.208 0.292 1
1 441 . 9 1 1 A 34 34 LEU N N 34 120.400 121.465 -1.065 1
1 442 . 9 1 1 A 35 35 MET H H 35 7.970 8.243 -0.273 1
1 443 . 9 1 1 A 35 35 MET HA H 35 4.210 4.194 0.016 1
1 451 . 9 1 1 A 35 35 MET C C 35 178.900 177.883 1.017 1
1 452 . 9 1 1 A 35 35 MET CA C 35 59.100 58.728 0.372 1
1 453 . 9 1 1 A 35 35 MET CB C 35 33.100 32.217 0.883 1
1 456 . 9 1 1 A 35 35 MET N N 35 120.300 118.534 1.766 1
1 457 . 9 1 1 A 36 36 ALA H H 36 8.710 7.981 0.729 1
1 458 . 9 1 1 A 36 36 ALA HA H 36 3.900 4.060 -0.160 1
1 462 . 9 1 1 A 36 36 ALA C C 36 179.700 179.873 -0.173 1
1 463 . 9 1 1 A 36 36 ALA CA C 36 55.400 55.021 0.379 1
1 464 . 9 1 1 A 36 36 ALA CB C 36 18.600 18.404 0.196 1
1 465 . 9 1 1 A 36 36 ALA N N 36 121.700 121.357 0.343 1
1 466 . 9 1 1 A 37 37 LEU H H 37 8.750 8.554 0.196 1
1 467 . 9 1 1 A 37 37 LEU HA H 37 3.980 3.924 0.056 1
1 477 . 9 1 1 A 37 37 LEU C C 37 179.600 179.172 0.428 1
1 478 . 9 1 1 A 37 37 LEU CA C 37 59.000 57.996 1.004 1
1 479 . 9 1 1 A 37 37 LEU CB C 37 42.000 42.004 -0.004 1
1 483 . 9 1 1 A 37 37 LEU N N 37 118.100 119.191 -1.091 1
1 484 . 9 1 1 A 38 38 GLY H H 38 8.780 8.620 0.160 1
1 485 . 9 1 1 A 38 38 GLY HA2 H 38 3.650 3.789 -0.139 1
1 486 . 9 1 1 A 38 38 GLY HA3 H 38 3.940 3.794 0.146 1
1 487 . 9 1 1 A 38 38 GLY C C 38 175.600 176.154 -0.554 1
1 488 . 9 1 1 A 38 38 GLY CA C 38 48.300 47.419 0.881 1
1 489 . 9 1 1 A 38 38 GLY N N 38 105.600 105.411 0.189 1
1 490 . 9 1 1 A 39 39 ASN H H 39 8.180 7.516 0.664 1
1 491 . 9 1 1 A 39 39 ASN HA H 39 4.550 4.516 0.034 1
1 496 . 9 1 1 A 39 39 ASN C C 39 178.400 177.993 0.407 1
1 497 . 9 1 1 A 39 39 ASN CA C 39 56.000 56.134 -0.134 1
1 498 . 9 1 1 A 39 39 ASN CB C 39 39.200 38.054 1.146 1
1 500 . 9 1 1 A 39 39 ASN N N 39 120.000 119.800 0.200 1
1 502 . 9 1 1 A 40 40 CYS H H 40 8.420 8.162 0.258 1
1 503 . 9 1 1 A 40 40 CYS HA H 40 4.010 4.132 -0.122 1
1 506 . 9 1 1 A 40 40 CYS C C 40 176.000 177.149 -1.149 1
1 507 . 9 1 1 A 40 40 CYS CA C 40 65.300 63.553 1.747 1
1 508 . 9 1 1 A 40 40 CYS CB C 40 27.200 26.673 0.527 1
1 509 . 9 1 1 A 40 40 CYS N N 40 120.200 118.623 1.577 1
1 510 . 9 1 1 A 41 41 VAL H H 41 7.830 8.188 -0.358 1
1 511 . 9 1 1 A 41 41 VAL HA H 41 3.250 3.498 -0.248 1
1 519 . 9 1 1 A 41 41 VAL C C 41 177.500 177.771 -0.271 1
1 520 . 9 1 1 A 41 41 VAL CA C 41 67.500 66.932 0.568 1
1 521 . 9 1 1 A 41 41 VAL CB C 41 30.800 31.684 -0.884 1
1 524 . 9 1 1 A 41 41 VAL N N 41 119.400 120.624 -1.224 1
1 525 . 9 1 1 A 42 42 THR H H 42 8.270 7.750 0.520 1
1 526 . 9 1 1 A 42 42 THR HA H 42 3.520 3.844 -0.324 1
1 531 . 9 1 1 A 42 42 THR C C 42 176.200 176.281 -0.081 1
1 532 . 9 1 1 A 42 42 THR CA C 42 67.800 66.184 1.616 1
1 533 . 9 1 1 A 42 42 THR CB C 42 67.800 68.576 -0.776 1
1 535 . 9 1 1 A 42 42 THR N N 42 113.600 115.579 -1.979 1
1 536 . 9 1 1 A 43 43 HIS H H 43 8.250 8.029 0.221 1
1 537 . 9 1 1 A 43 43 HIS HA H 43 4.310 4.301 0.009 1
1 542 . 9 1 1 A 43 43 HIS C C 43 177.200 177.026 0.174 1
1 543 . 9 1 1 A 43 43 HIS CA C 43 59.300 60.168 -0.868 1
1 544 . 9 1 1 A 43 43 HIS CB C 43 28.900 30.424 -1.524 1
1 547 . 9 1 1 A 43 43 HIS N N 43 120.000 121.901 -1.901 1
1 550 . 9 1 1 A 44 44 LEU H H 44 8.070 8.311 -0.241 1
1 551 . 9 1 1 A 44 44 LEU HA H 44 3.960 3.909 0.051 1
1 561 . 9 1 1 A 44 44 LEU C C 44 179.300 179.089 0.211 1
1 562 . 9 1 1 A 44 44 LEU CA C 44 58.400 57.868 0.532 1
1 563 . 9 1 1 A 44 44 LEU CB C 44 42.200 41.508 0.692 1
1 567 . 9 1 1 A 44 44 LEU N N 44 119.400 120.221 -0.821 1
1 568 . 9 1 1 A 45 45 LEU H H 45 8.410 8.122 0.288 1
1 569 . 9 1 1 A 45 45 LEU HA H 45 3.850 3.923 -0.073 1
1 579 . 9 1 1 A 45 45 LEU C C 45 178.700 178.612 0.088 1
1 580 . 9 1 1 A 45 45 LEU CA C 45 58.200 58.046 0.154 1
1 581 . 9 1 1 A 45 45 LEU CB C 45 41.800 41.522 0.278 1
1 585 . 9 1 1 A 45 45 LEU N N 45 118.100 119.791 -1.691 1
1 586 . 9 1 1 A 46 46 GLU H H 46 8.120 8.259 -0.139 1
1 587 . 9 1 1 A 46 46 GLU HA H 46 3.740 3.923 -0.183 1
1 592 . 9 1 1 A 46 46 GLU C C 46 178.000 178.673 -0.673 1
1 593 . 9 1 1 A 46 46 GLU CA C 46 58.900 59.509 -0.609 1
1 594 . 9 1 1 A 46 46 GLU CB C 46 29.700 29.095 0.605 1
1 596 . 9 1 1 A 46 46 GLU N N 46 115.000 119.536 -4.536 1
1 597 . 9 1 1 A 47 47 ARG H H 47 7.740 7.867 -0.127 1
1 598 . 9 1 1 A 47 47 ARG HA H 47 4.270 4.068 0.202 1
1 606 . 9 1 1 A 47 47 ARG C C 47 178.500 176.901 1.599 1
1 607 . 9 1 1 A 47 47 ARG CA C 47 57.000 57.728 -0.728 1
1 608 . 9 1 1 A 47 47 ARG CB C 47 31.600 30.349 1.251 1
1 611 . 9 1 1 A 47 47 ARG N N 47 114.000 117.783 -3.783 1
1 613 . 9 1 1 A 48 48 LYS H H 48 8.210 7.661 0.549 1
1 614 . 9 1 1 A 48 48 LYS HA H 48 4.620 4.560 0.060 1
1 623 . 9 1 1 A 48 48 LYS C C 48 176.400 175.415 0.985 1
1 624 . 9 1 1 A 48 48 LYS CA C 48 55.500 57.222 -1.722 1
1 625 . 9 1 1 A 48 48 LYS CB C 48 34.500 35.116 -0.616 1
1 629 . 9 1 1 A 48 48 LYS N N 48 114.000 118.812 -4.812 1
1 630 . 9 1 1 A 49 49 VAL H H 49 7.630 7.947 -0.317 1
1 631 . 9 1 1 A 49 49 VAL HA H 49 4.710 4.389 0.321 1
1 639 . 9 1 1 A 49 49 VAL CA C 49 59.400 58.626 0.774 1
1 640 . 9 1 1 A 49 49 VAL CB C 49 33.600 33.170 0.430 1
1 643 . 9 1 1 A 49 49 VAL N N 49 121.800 119.878 1.922 1
1 644 . 9 1 1 A 50 50 PRO HA H 50 4.460 4.549 -0.089 1
1 651 . 9 1 1 A 50 50 PRO C C 50 177.900 177.656 0.244 1
1 652 . 9 1 1 A 50 50 PRO CA C 50 63.200 62.677 0.523 1
1 653 . 9 1 1 A 50 50 PRO CB C 50 32.900 32.858 0.042 1
1 656 . 9 1 1 A 51 51 SER H H 51 8.950 8.715 0.235 1
1 657 . 9 1 1 A 51 51 SER HA H 51 3.910 4.168 -0.258 1
1 660 . 9 1 1 A 51 51 SER C C 51 176.300 176.917 -0.617 1
1 661 . 9 1 1 A 51 51 SER CA C 51 62.800 61.566 1.234 1
1 662 . 9 1 1 A 51 51 SER CB C 51 62.700 62.952 -0.252 1
1 663 . 9 1 1 A 51 51 SER N N 51 119.000 118.827 0.173 1
1 664 . 9 1 1 A 52 52 GLU H H 52 9.480 8.128 1.352 1
1 665 . 9 1 1 A 52 52 GLU HA H 52 4.220 4.010 0.210 1
1 670 . 9 1 1 A 52 52 GLU C C 52 177.000 178.646 -1.646 1
1 671 . 9 1 1 A 52 52 GLU CA C 52 59.200 59.188 0.012 1
1 672 . 9 1 1 A 52 52 GLU CB C 52 28.700 29.153 -0.453 1
1 674 . 9 1 1 A 52 52 GLU N N 52 118.900 122.428 -3.528 1
1 675 . 9 1 1 A 53 53 SER H H 53 7.770 8.046 -0.276 1
1 676 . 9 1 1 A 53 53 SER HA H 53 4.940 4.481 0.459 1
1 679 . 9 1 1 A 53 53 SER C C 53 174.200 175.666 -1.466 1
1 680 . 9 1 1 A 53 53 SER CA C 53 58.200 59.479 -1.279 1
1 681 . 9 1 1 A 53 53 SER CB C 53 64.800 63.759 1.041 1
1 682 . 9 1 1 A 53 53 SER N N 53 112.500 117.154 -4.654 1
1 683 . 9 1 1 A 54 54 ARG H H 54 7.380 7.790 -0.410 1
1 684 . 9 1 1 A 54 54 ARG HA H 54 3.630 3.988 -0.358 1
1 696 . 9 1 1 A 54 54 ARG C C 54 177.200 178.230 -1.030 1
1 697 . 9 1 1 A 54 54 ARG CA C 54 61.400 59.714 1.686 1
1 698 . 9 1 1 A 54 54 ARG CB C 54 31.200 29.590 1.610 1
1 701 . 9 1 1 A 54 54 ARG N N 54 122.100 122.620 -0.520 1
1 703 . 9 1 1 A 55 55 GLN H H 55 9.010 8.015 0.995 1
1 704 . 9 1 1 A 55 55 GLN HA H 55 3.840 4.122 -0.282 1
1 711 . 9 1 1 A 55 55 GLN C C 55 178.000 178.154 -0.154 1
1 712 . 9 1 1 A 55 55 GLN CA C 55 59.700 58.372 1.328 1
1 713 . 9 1 1 A 55 55 GLN CB C 55 28.100 28.859 -0.759 1
1 716 . 9 1 1 A 55 55 GLN N N 55 118.000 118.734 -0.734 1
1 718 . 9 1 1 A 56 56 ALA H H 56 8.280 7.873 0.407 1
1 719 . 9 1 1 A 56 56 ALA HA H 56 4.190 4.092 0.098 1
1 723 . 9 1 1 A 56 56 ALA C C 56 181.200 179.769 1.431 1
1 724 . 9 1 1 A 56 56 ALA CA C 56 55.200 55.092 0.108 1
1 725 . 9 1 1 A 56 56 ALA CB C 56 17.900 18.346 -0.446 1
1 726 . 9 1 1 A 56 56 ALA N N 56 122.300 122.378 -0.078 1
1 727 . 9 1 1 A 57 57 VAL H H 57 8.150 8.239 -0.089 1
1 728 . 9 1 1 A 57 57 VAL HA H 57 3.740 3.529 0.211 1
1 736 . 9 1 1 A 57 57 VAL C C 57 178.900 178.359 0.541 1
1 737 . 9 1 1 A 57 57 VAL CA C 57 66.700 66.577 0.123 1
1 738 . 9 1 1 A 57 57 VAL CB C 57 31.700 31.563 0.137 1
1 741 . 9 1 1 A 57 57 VAL N N 57 119.600 118.405 1.195 1
1 742 . 9 1 1 A 58 58 ALA H H 58 8.370 8.185 0.185 1
1 743 . 9 1 1 A 58 58 ALA HA H 58 3.910 4.016 -0.106 1
1 747 . 9 1 1 A 58 58 ALA C C 58 179.500 180.070 -0.570 1
1 748 . 9 1 1 A 58 58 ALA CA C 58 55.800 56.048 -0.248 1
1 749 . 9 1 1 A 58 58 ALA CB C 58 18.500 18.815 -0.315 1
1 750 . 9 1 1 A 58 58 ALA N N 58 123.000 122.072 0.928 1
1 751 . 9 1 1 A 59 59 GLU H H 59 8.630 8.243 0.387 1
1 752 . 9 1 1 A 59 59 GLU HA H 59 4.100 3.997 0.103 1
1 757 . 9 1 1 A 59 59 GLU C C 59 179.400 179.324 0.076 1
1 758 . 9 1 1 A 59 59 GLU CA C 59 59.600 59.808 -0.208 1
1 759 . 9 1 1 A 59 59 GLU CB C 59 29.300 29.294 0.006 1
1 761 . 9 1 1 A 59 59 GLU N N 59 118.400 117.940 0.460 1
1 762 . 9 1 1 A 60 60 GLN H H 60 8.280 8.271 0.009 1
1 763 . 9 1 1 A 60 60 GLN HA H 60 4.090 4.095 -0.005 1
1 770 . 9 1 1 A 60 60 GLN C C 60 178.700 178.492 0.208 1
1 771 . 9 1 1 A 60 60 GLN CA C 60 59.100 59.001 0.099 1
1 772 . 9 1 1 A 60 60 GLN CB C 60 28.100 28.240 -0.140 1
1 775 . 9 1 1 A 60 60 GLN N N 60 120.400 118.481 1.919 1
1 777 . 9 1 1 A 61 61 PHE H H 61 8.400 8.789 -0.389 1
1 778 . 9 1 1 A 61 61 PHE HA H 61 4.160 4.214 -0.054 1
1 786 . 9 1 1 A 61 61 PHE C C 61 177.600 177.492 0.108 1
1 787 . 9 1 1 A 61 61 PHE CA C 61 61.400 61.614 -0.214 1
1 788 . 9 1 1 A 61 61 PHE CB C 61 39.100 39.000 0.100 1
1 794 . 9 1 1 A 61 61 PHE N N 61 122.000 121.552 0.448 1
1 795 . 9 1 1 A 62 62 ALA H H 62 8.620 8.673 -0.053 1
1 796 . 9 1 1 A 62 62 ALA HA H 62 3.980 3.946 0.034 1
1 800 . 9 1 1 A 62 62 ALA C C 62 179.700 179.743 -0.043 1
1 801 . 9 1 1 A 62 62 ALA CA C 62 55.500 55.433 0.067 1
1 802 . 9 1 1 A 62 62 ALA CB C 62 18.900 18.027 0.873 1
1 803 . 9 1 1 A 62 62 ALA N N 62 122.000 121.582 0.418 1
1 804 . 9 1 1 A 63 63 LYS H H 63 8.470 8.320 0.150 1
1 805 . 9 1 1 A 63 63 LYS HA H 63 4.050 3.961 0.089 1
1 814 . 9 1 1 A 63 63 LYS C C 63 179.200 178.756 0.444 1
1 815 . 9 1 1 A 63 63 LYS CA C 63 59.600 58.856 0.744 1
1 816 . 9 1 1 A 63 63 LYS CB C 63 32.600 31.898 0.702 1
1 820 . 9 1 1 A 63 63 LYS N N 63 119.500 116.641 2.859 1
1 821 . 9 1 1 A 64 64 ALA H H 64 8.000 7.685 0.315 1
1 822 . 9 1 1 A 64 64 ALA HA H 64 4.100 4.029 0.071 1
1 826 . 9 1 1 A 64 64 ALA C C 64 180.700 180.039 0.661 1
1 827 . 9 1 1 A 64 64 ALA CA C 64 55.000 55.045 -0.045 1
1 828 . 9 1 1 A 64 64 ALA CB C 64 17.700 18.231 -0.531 1
1 829 . 9 1 1 A 64 64 ALA N N 64 122.000 122.008 -0.008 1
1 830 . 9 1 1 A 65 65 LEU H H 65 7.830 7.900 -0.070 1
1 831 . 9 1 1 A 65 65 LEU HA H 65 3.950 3.904 0.046 1
1 841 . 9 1 1 A 65 65 LEU C C 65 178.900 178.207 0.693 1
1 842 . 9 1 1 A 65 65 LEU CA C 65 57.800 57.505 0.295 1
1 843 . 9 1 1 A 65 65 LEU CB C 65 41.700 41.474 0.226 1
1 847 . 9 1 1 A 65 65 LEU N N 65 120.600 119.778 0.822 1
1 848 . 9 1 1 A 66 66 ALA H H 66 7.990 8.378 -0.388 1
1 849 . 9 1 1 A 66 66 ALA HA H 66 3.840 4.016 -0.176 1
1 853 . 9 1 1 A 66 66 ALA C C 66 180.300 178.868 1.432 1
1 854 . 9 1 1 A 66 66 ALA CA C 66 55.500 54.997 0.503 1
1 855 . 9 1 1 A 66 66 ALA CB C 66 17.900 18.156 -0.256 1
1 856 . 9 1 1 A 66 66 ALA N N 66 120.900 121.046 -0.146 1
1 857 . 9 1 1 A 67 67 GLN H H 67 8.140 8.235 -0.095 1
1 858 . 9 1 1 A 67 67 GLN HA H 67 4.070 3.998 0.072 1
1 865 . 9 1 1 A 67 67 GLN C C 67 178.400 178.179 0.221 1
1 866 . 9 1 1 A 67 67 GLN CA C 67 58.300 58.891 -0.591 1
1 867 . 9 1 1 A 67 67 GLN CB C 67 28.400 28.183 0.217 1
1 870 . 9 1 1 A 67 67 GLN N N 67 116.600 118.369 -1.769 1
1 872 . 9 1 1 A 68 68 SER H H 68 8.120 7.586 0.534 1
1 873 . 9 1 1 A 68 68 SER HA H 68 4.220 4.197 0.023 1
1 876 . 9 1 1 A 68 68 SER C C 68 176.500 177.506 -1.006 1
1 877 . 9 1 1 A 68 68 SER CA C 68 61.500 61.581 -0.081 1
1 878 . 9 1 1 A 68 68 SER CB C 68 63.000 63.128 -0.128 1
1 879 . 9 1 1 A 68 68 SER N N 68 116.700 115.197 1.503 1
1 880 . 9 1 1 A 69 69 VAL H H 69 7.660 7.873 -0.213 1
1 881 . 9 1 1 A 69 69 VAL HA H 69 3.860 3.809 0.051 1
1 889 . 9 1 1 A 69 69 VAL C C 69 177.400 178.090 -0.690 1
1 890 . 9 1 1 A 69 69 VAL CA C 69 64.900 67.215 -2.315 1
1 891 . 9 1 1 A 69 69 VAL CB C 69 31.900 31.343 0.557 1
1 894 . 9 1 1 A 69 69 VAL N N 69 119.800 120.773 -0.973 1
1 895 . 9 1 1 A 70 70 LYS H H 70 7.860 7.763 0.097 1
1 896 . 9 1 1 A 70 70 LYS HA H 70 4.040 4.117 -0.077 1
1 905 . 9 1 1 A 70 70 LYS C C 70 178.400 178.479 -0.079 1
1 906 . 9 1 1 A 70 70 LYS CA C 70 59.200 59.321 -0.121 1
1 907 . 9 1 1 A 70 70 LYS CB C 70 32.800 32.567 0.233 1
1 911 . 9 1 1 A 70 70 LYS N N 70 121.300 119.636 1.664 1
1 912 . 9 1 1 A 71 71 SER H H 71 8.390 7.906 0.484 1
1 913 . 9 1 1 A 71 71 SER HA H 71 4.280 4.420 -0.140 1
1 916 . 9 1 1 A 71 71 SER C C 71 176.000 176.352 -0.352 1
1 917 . 9 1 1 A 71 71 SER CA C 71 60.700 60.410 0.290 1
1 918 . 9 1 1 A 71 71 SER CB C 71 63.300 63.398 -0.098 1
1 919 . 9 1 1 A 71 71 SER N N 71 114.400 114.316 0.084 1
1 920 . 9 1 1 A 72 72 ASN H H 72 7.940 8.861 -0.921 1
1 921 . 9 1 1 A 72 72 ASN HA H 72 4.630 4.523 0.107 1
1 926 . 9 1 1 A 72 72 ASN C C 72 176.700 176.695 0.005 1
1 927 . 9 1 1 A 72 72 ASN CA C 72 55.000 55.367 -0.367 1
1 928 . 9 1 1 A 72 72 ASN CB C 72 39.000 37.102 1.898 1
1 930 . 9 1 1 A 72 72 ASN N N 72 119.700 119.504 0.196 1
1 932 . 9 1 1 A 73 73 LEU H H 73 7.900 7.750 0.150 1
1 933 . 9 1 1 A 73 73 LEU HA H 73 4.180 4.151 0.029 1
1 943 . 9 1 1 A 73 73 LEU C C 73 178.400 177.018 1.382 1
1 944 . 9 1 1 A 73 73 LEU CA C 73 56.700 56.034 0.666 1
1 945 . 9 1 1 A 73 73 LEU CB C 73 42.300 42.689 -0.389 1
1 949 . 9 1 1 A 73 73 LEU N N 73 121.000 120.137 0.863 1
1 950 . 9 1 1 A 74 74 GLU H H 74 8.060 7.655 0.405 1
1 951 . 9 1 1 A 74 74 GLU HA H 74 4.120 4.270 -0.150 1
1 956 . 9 1 1 A 74 74 GLU C C 74 177.100 175.768 1.332 1
1 957 . 9 1 1 A 74 74 GLU CA C 74 57.400 58.383 -0.983 1
1 958 . 9 1 1 A 74 74 GLU CB C 74 29.900 29.527 0.373 1
1 960 . 9 1 1 A 74 74 GLU N N 74 119.300 118.929 0.371 1
1 961 . 9 1 1 A 75 75 HIS H H 75 8.140 7.926 0.214 1
1 962 . 9 1 1 A 75 75 HIS HA H 75 4.590 4.334 0.256 1
1 966 . 9 1 1 A 75 75 HIS C C 75 174.900 173.685 1.215 1
1 967 . 9 1 1 A 75 75 HIS CA C 75 56.100 58.076 -1.976 1
1 968 . 9 1 1 A 75 75 HIS CB C 75 29.000 28.307 0.693 1
1 970 . 9 1 1 A 75 75 HIS N N 75 117.500 118.447 -0.947 1
1 971 . 9 1 1 A 76 76 HIS H H 76 8.240 8.686 -0.446 1
1 972 . 9 1 1 A 76 76 HIS C C 76 174.500 175.517 -1.017 1
1 973 . 9 1 1 A 76 76 HIS CA C 76 55.900 54.100 1.800 1
1 974 . 9 1 1 A 76 76 HIS CB C 76 29.300 32.105 -2.805 1
1 975 . 9 1 1 A 76 76 HIS N N 76 118.300 120.842 -2.542 1
1 976 . 9 1 1 A 77 77 HIS H H 77 8.400 8.791 -0.391 1
1 977 . 9 1 1 A 77 77 HIS HA H 77 4.640 4.508 0.132 1
1 980 . 9 1 1 A 77 77 HIS C C 77 173.700 175.444 -1.744 1
1 981 . 9 1 1 A 77 77 HIS CA C 77 55.700 57.639 -1.939 1
1 982 . 9 1 1 A 77 77 HIS CB C 77 29.700 30.680 -0.980 1
1 983 . 9 1 1 A 77 77 HIS N N 77 119.300 123.837 -4.537 1
1 984 . 9 1 1 A 78 78 HIS H H 78 8.330 8.073 0.257 1
1 985 . 9 1 1 A 78 78 HIS CA C 78 57.200 54.826 2.374 1
1 986 . 9 1 1 A 78 78 HIS CB C 78 29.900 31.034 -1.134 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 4.140 4.661 -0.521 1
1 5 . 10 1 1 A 2 2 ALA C C 2 173.800 176.654 -2.854 1
1 6 . 10 1 1 A 2 2 ALA CA C 2 51.800 51.160 0.640 1
1 7 . 10 1 1 A 2 2 ALA CB C 2 19.600 19.894 -0.294 1
1 8 . 10 1 1 A 3 3 ILE H H 3 8.540 7.598 0.942 1
1 9 . 10 1 1 A 3 3 ILE HA H 3 4.190 4.533 -0.343 1
1 19 . 10 1 1 A 3 3 ILE C C 3 176.000 174.601 1.399 1
1 20 . 10 1 1 A 3 3 ILE CA C 3 61.300 60.655 0.645 1
1 21 . 10 1 1 A 3 3 ILE CB C 3 38.800 39.018 -0.218 1
1 25 . 10 1 1 A 3 3 ILE N N 3 120.500 120.706 -0.206 1
1 26 . 10 1 1 A 4 4 GLN H H 4 8.570 8.801 -0.231 1
1 27 . 10 1 1 A 4 4 GLN HA H 4 4.400 5.054 -0.654 1
1 34 . 10 1 1 A 4 4 GLN C C 4 175.700 174.106 1.594 1
1 35 . 10 1 1 A 4 4 GLN CA C 4 55.800 53.987 1.813 1
1 36 . 10 1 1 A 4 4 GLN CB C 4 29.600 32.139 -2.539 1
1 39 . 10 1 1 A 4 4 GLN N N 4 125.100 127.388 -2.288 1
1 41 . 10 1 1 A 5 5 SER H H 5 8.440 9.136 -0.696 1
1 42 . 10 1 1 A 5 5 SER HA H 5 4.420 4.705 -0.285 1
1 45 . 10 1 1 A 5 5 SER C C 5 174.300 175.630 -1.330 1
1 46 . 10 1 1 A 5 5 SER CA C 5 58.200 58.724 -0.524 1
1 47 . 10 1 1 A 5 5 SER CB C 5 64.000 63.684 0.316 1
1 48 . 10 1 1 A 5 5 SER N N 5 118.100 120.256 -2.156 1
1 49 . 10 1 1 A 6 6 LYS H H 6 8.320 8.672 -0.352 1
1 50 . 10 1 1 A 6 6 LYS HA H 6 4.110 4.448 -0.338 1
1 59 . 10 1 1 A 6 6 LYS C C 6 176.000 175.804 0.196 1
1 60 . 10 1 1 A 6 6 LYS CA C 6 57.200 55.247 1.953 1
1 61 . 10 1 1 A 6 6 LYS CB C 6 33.100 32.755 0.345 1
1 65 . 10 1 1 A 6 6 LYS N N 6 123.600 121.134 2.466 1
1 66 . 10 1 1 A 7 7 TYR H H 7 8.000 7.989 0.011 1
1 67 . 10 1 1 A 7 7 TYR HA H 7 4.800 4.443 0.357 1
1 74 . 10 1 1 A 7 7 TYR C C 7 175.800 175.472 0.328 1
1 75 . 10 1 1 A 7 7 TYR CA C 7 57.000 58.445 -1.445 1
1 76 . 10 1 1 A 7 7 TYR CB C 7 39.900 38.116 1.784 1
1 81 . 10 1 1 A 7 7 TYR N N 7 118.900 120.103 -1.203 1
1 82 . 10 1 1 A 8 8 SER H H 8 8.770 8.664 0.106 1
1 83 . 10 1 1 A 8 8 SER HA H 8 4.510 4.392 0.118 1
1 86 . 10 1 1 A 8 8 SER C C 8 175.000 175.546 -0.546 1
1 87 . 10 1 1 A 8 8 SER CA C 8 57.500 59.352 -1.852 1
1 88 . 10 1 1 A 8 8 SER CB C 8 64.700 64.304 0.396 1
1 89 . 10 1 1 A 8 8 SER N N 8 118.600 119.999 -1.399 1
1 90 . 10 1 1 A 9 9 ASN H H 9 8.910 9.006 -0.096 1
1 91 . 10 1 1 A 9 9 ASN HA H 9 4.540 4.428 0.112 1
1 96 . 10 1 1 A 9 9 ASN C C 9 177.200 177.670 -0.470 1
1 97 . 10 1 1 A 9 9 ASN CA C 9 55.900 56.505 -0.605 1
1 98 . 10 1 1 A 9 9 ASN CB C 9 38.200 38.010 0.190 1
1 100 . 10 1 1 A 9 9 ASN N N 9 121.400 123.491 -2.091 1
1 102 . 10 1 1 A 10 10 THR H H 10 8.180 7.999 0.181 1
1 103 . 10 1 1 A 10 10 THR HA H 10 4.070 3.861 0.209 1
1 108 . 10 1 1 A 10 10 THR C C 10 176.600 176.438 0.162 1
1 109 . 10 1 1 A 10 10 THR CA C 10 65.300 67.084 -1.784 1
1 110 . 10 1 1 A 10 10 THR CB C 10 68.800 68.591 0.209 1
1 112 . 10 1 1 A 10 10 THR N N 10 113.500 117.702 -4.202 1
1 113 . 10 1 1 A 11 11 GLN H H 11 7.950 7.917 0.033 1
1 114 . 10 1 1 A 11 11 GLN HA H 11 4.160 4.159 0.001 1
1 121 . 10 1 1 A 11 11 GLN C C 11 178.400 178.416 -0.016 1
1 122 . 10 1 1 A 11 11 GLN CA C 11 59.000 58.787 0.213 1
1 123 . 10 1 1 A 11 11 GLN CB C 11 29.200 28.684 0.516 1
1 126 . 10 1 1 A 11 11 GLN N N 11 122.500 120.970 1.530 1
1 128 . 10 1 1 A 12 12 VAL H H 12 7.850 8.133 -0.283 1
1 129 . 10 1 1 A 12 12 VAL HA H 12 3.540 3.577 -0.037 1
1 137 . 10 1 1 A 12 12 VAL C C 12 177.400 178.030 -0.630 1
1 138 . 10 1 1 A 12 12 VAL CA C 12 66.400 67.057 -0.657 1
1 139 . 10 1 1 A 12 12 VAL CB C 12 32.300 31.468 0.832 1
1 142 . 10 1 1 A 12 12 VAL N N 12 119.000 119.970 -0.970 1
1 143 . 10 1 1 A 13 13 GLU H H 13 8.550 8.948 -0.398 1
1 144 . 10 1 1 A 13 13 GLU HA H 13 3.910 3.870 0.040 1
1 149 . 10 1 1 A 13 13 GLU C C 13 179.500 178.788 0.712 1
1 150 . 10 1 1 A 13 13 GLU CA C 13 59.700 60.518 -0.818 1
1 151 . 10 1 1 A 13 13 GLU CB C 13 29.100 30.003 -0.903 1
1 153 . 10 1 1 A 13 13 GLU N N 13 118.300 120.468 -2.168 1
1 154 . 10 1 1 A 14 14 SER H H 14 8.080 8.205 -0.125 1
1 155 . 10 1 1 A 14 14 SER HA H 14 4.260 4.194 0.066 1
1 158 . 10 1 1 A 14 14 SER C C 14 176.200 177.799 -1.599 1
1 159 . 10 1 1 A 14 14 SER CA C 14 61.700 61.370 0.330 1
1 160 . 10 1 1 A 14 14 SER CB C 14 62.800 62.709 0.091 1
1 161 . 10 1 1 A 14 14 SER N N 14 114.600 115.948 -1.348 1
1 162 . 10 1 1 A 15 15 LEU H H 15 7.110 8.211 -1.101 1
1 163 . 10 1 1 A 15 15 LEU HA H 15 3.690 3.974 -0.284 1
1 173 . 10 1 1 A 15 15 LEU C C 15 177.800 179.042 -1.242 1
1 174 . 10 1 1 A 15 15 LEU CA C 15 57.700 58.182 -0.482 1
1 175 . 10 1 1 A 15 15 LEU CB C 15 42.300 41.639 0.661 1
1 179 . 10 1 1 A 15 15 LEU N N 15 122.200 123.121 -0.921 1
1 180 . 10 1 1 A 16 16 ILE H H 16 8.030 8.447 -0.417 1
1 181 . 10 1 1 A 16 16 ILE HA H 16 3.220 3.690 -0.470 1
1 191 . 10 1 1 A 16 16 ILE C C 16 177.200 177.714 -0.514 1
1 192 . 10 1 1 A 16 16 ILE CA C 16 66.000 65.874 0.126 1
1 193 . 10 1 1 A 16 16 ILE CB C 16 39.100 37.879 1.221 1
1 197 . 10 1 1 A 16 16 ILE N N 16 117.900 120.001 -2.101 1
1 198 . 10 1 1 A 17 17 ALA H H 17 7.960 8.368 -0.408 1
1 199 . 10 1 1 A 17 17 ALA HA H 17 3.930 3.985 -0.055 1
1 203 . 10 1 1 A 17 17 ALA C C 17 180.600 180.192 0.408 1
1 204 . 10 1 1 A 17 17 ALA CA C 17 55.400 55.550 -0.150 1
1 205 . 10 1 1 A 17 17 ALA CB C 17 18.000 18.365 -0.365 1
1 206 . 10 1 1 A 17 17 ALA N N 17 118.300 122.098 -3.798 1
1 207 . 10 1 1 A 18 18 GLU H H 18 7.630 8.058 -0.428 1
1 208 . 10 1 1 A 18 18 GLU HA H 18 4.030 4.047 -0.017 1
1 213 . 10 1 1 A 18 18 GLU C C 18 179.400 179.494 -0.094 1
1 214 . 10 1 1 A 18 18 GLU CA C 18 59.800 59.491 0.309 1
1 215 . 10 1 1 A 18 18 GLU CB C 18 30.300 29.384 0.916 1
1 217 . 10 1 1 A 18 18 GLU N N 18 116.300 118.024 -1.724 1
1 218 . 10 1 1 A 19 19 ILE H H 19 8.110 7.685 0.425 1
1 219 . 10 1 1 A 19 19 ILE HA H 19 3.590 3.708 -0.118 1
1 229 . 10 1 1 A 19 19 ILE C C 19 177.800 178.492 -0.692 1
1 230 . 10 1 1 A 19 19 ILE CA C 19 66.500 64.898 1.602 1
1 231 . 10 1 1 A 19 19 ILE CB C 19 37.500 37.434 0.066 1
1 235 . 10 1 1 A 19 19 ILE N N 19 121.100 120.573 0.527 1
1 236 . 10 1 1 A 20 20 LEU H H 20 8.480 8.235 0.245 1
1 237 . 10 1 1 A 20 20 LEU HA H 20 4.020 4.056 -0.036 1
1 247 . 10 1 1 A 20 20 LEU C C 20 180.500 178.860 1.640 1
1 248 . 10 1 1 A 20 20 LEU CA C 20 58.600 58.100 0.500 1
1 249 . 10 1 1 A 20 20 LEU CB C 20 40.400 41.903 -1.503 1
1 253 . 10 1 1 A 20 20 LEU N N 20 118.300 120.520 -2.220 1
1 254 . 10 1 1 A 21 21 VAL H H 21 7.810 8.191 -0.381 1
1 255 . 10 1 1 A 21 21 VAL HA H 21 3.770 3.667 0.103 1
1 263 . 10 1 1 A 21 21 VAL C C 21 178.200 178.511 -0.311 1
1 264 . 10 1 1 A 21 21 VAL CA C 21 66.800 66.937 -0.137 1
1 265 . 10 1 1 A 21 21 VAL CB C 21 31.600 31.532 0.068 1
1 268 . 10 1 1 A 21 21 VAL N N 21 119.700 118.999 0.701 1
1 269 . 10 1 1 A 22 22 VAL H H 22 7.530 8.019 -0.489 1
1 270 . 10 1 1 A 22 22 VAL HA H 22 3.610 3.560 0.050 1
1 278 . 10 1 1 A 22 22 VAL C C 22 178.500 178.021 0.479 1
1 279 . 10 1 1 A 22 22 VAL CA C 22 67.300 67.003 0.297 1
1 280 . 10 1 1 A 22 22 VAL CB C 22 31.500 31.564 -0.064 1
1 283 . 10 1 1 A 22 22 VAL N N 22 121.400 120.205 1.195 1
1 284 . 10 1 1 A 23 23 LEU H H 23 7.610 8.232 -0.622 1
1 285 . 10 1 1 A 23 23 LEU HA H 23 3.880 3.892 -0.012 1
1 295 . 10 1 1 A 23 23 LEU C C 23 179.700 179.398 0.302 1
1 296 . 10 1 1 A 23 23 LEU CA C 23 58.400 58.453 -0.053 1
1 297 . 10 1 1 A 23 23 LEU CB C 23 40.900 41.690 -0.790 1
1 301 . 10 1 1 A 23 23 LEU N N 23 116.800 118.584 -1.784 1
1 302 . 10 1 1 A 24 24 GLU H H 24 8.160 8.357 -0.197 1
1 303 . 10 1 1 A 24 24 GLU HA H 24 4.170 4.077 0.093 1
1 308 . 10 1 1 A 24 24 GLU C C 24 180.900 178.641 2.259 1
1 309 . 10 1 1 A 24 24 GLU CA C 24 59.000 59.240 -0.240 1
1 310 . 10 1 1 A 24 24 GLU CB C 24 29.700 29.060 0.640 1
1 312 . 10 1 1 A 24 24 GLU N N 24 119.200 119.206 -0.006 1
1 313 . 10 1 1 A 25 25 LYS H H 25 8.980 8.073 0.907 1
1 314 . 10 1 1 A 25 25 LYS HA H 25 4.050 3.978 0.072 1
1 323 . 10 1 1 A 25 25 LYS C C 25 178.600 178.040 0.560 1
1 324 . 10 1 1 A 25 25 LYS CA C 25 59.300 58.934 0.366 1
1 325 . 10 1 1 A 25 25 LYS CB C 25 32.100 32.080 0.020 1
1 329 . 10 1 1 A 25 25 LYS N N 25 122.900 119.229 3.671 1
1 330 . 10 1 1 A 26 26 HIS H H 26 7.400 7.388 0.012 1
1 331 . 10 1 1 A 26 26 HIS HA H 26 4.460 4.612 -0.152 1
1 336 . 10 1 1 A 26 26 HIS C C 26 173.600 174.440 -0.840 1
1 337 . 10 1 1 A 26 26 HIS CA C 26 56.500 55.590 0.910 1
1 338 . 10 1 1 A 26 26 HIS CB C 26 29.200 30.360 -1.160 1
1 341 . 10 1 1 A 26 26 HIS N N 26 113.800 113.356 0.444 1
1 342 . 10 1 1 A 27 27 LYS H H 27 8.200 7.980 0.220 1
1 343 . 10 1 1 A 27 27 LYS HA H 27 3.950 3.879 0.071 1
1 352 . 10 1 1 A 27 27 LYS C C 27 176.500 175.485 1.015 1
1 353 . 10 1 1 A 27 27 LYS CA C 27 56.600 57.153 -0.553 1
1 354 . 10 1 1 A 27 27 LYS CB C 27 29.600 30.917 -1.317 1
1 358 . 10 1 1 A 27 27 LYS N N 27 119.500 119.173 0.327 1
1 359 . 10 1 1 A 28 28 ALA H H 28 7.760 7.847 -0.087 1
1 360 . 10 1 1 A 28 28 ALA HA H 28 4.490 4.491 -0.001 1
1 364 . 10 1 1 A 28 28 ALA CA C 28 51.000 50.468 0.532 1
1 365 . 10 1 1 A 28 28 ALA CB C 28 19.200 18.931 0.269 1
1 366 . 10 1 1 A 28 28 ALA N N 28 121.500 120.238 1.262 1
1 367 . 10 1 1 A 29 29 PRO HA H 29 4.720 4.550 0.170 1
1 374 . 10 1 1 A 29 29 PRO C C 29 177.400 177.283 0.117 1
1 375 . 10 1 1 A 29 29 PRO CA C 29 62.100 62.698 -0.598 1
1 376 . 10 1 1 A 29 29 PRO CB C 29 33.000 33.388 -0.388 1
1 379 . 10 1 1 A 30 30 THR H H 30 8.830 8.428 0.402 1
1 380 . 10 1 1 A 30 30 THR HA H 30 3.680 4.198 -0.518 1
1 385 . 10 1 1 A 30 30 THR C C 30 175.200 175.852 -0.652 1
1 386 . 10 1 1 A 30 30 THR CA C 30 67.400 65.562 1.838 1
1 387 . 10 1 1 A 30 30 THR CB C 30 68.500 68.439 0.061 1
1 389 . 10 1 1 A 30 30 THR N N 30 120.400 116.679 3.721 1
1 390 . 10 1 1 A 31 31 ASP H H 31 8.880 8.070 0.810 1
1 391 . 10 1 1 A 31 31 ASP HA H 31 4.220 4.413 -0.193 1
1 394 . 10 1 1 A 31 31 ASP C C 31 179.000 178.554 0.446 1
1 395 . 10 1 1 A 31 31 ASP CA C 31 57.400 57.141 0.259 1
1 396 . 10 1 1 A 31 31 ASP CB C 31 38.700 40.708 -2.008 1
1 397 . 10 1 1 A 31 31 ASP N N 31 118.600 121.399 -2.799 1
1 398 . 10 1 1 A 32 32 LEU H H 32 7.540 7.785 -0.245 1
1 399 . 10 1 1 A 32 32 LEU HA H 32 3.970 4.108 -0.138 1
1 409 . 10 1 1 A 32 32 LEU C C 32 178.100 178.373 -0.273 1
1 410 . 10 1 1 A 32 32 LEU CA C 32 57.500 57.394 0.106 1
1 411 . 10 1 1 A 32 32 LEU CB C 32 40.600 41.835 -1.235 1
1 415 . 10 1 1 A 32 32 LEU N N 32 124.300 121.538 2.762 1
1 416 . 10 1 1 A 33 33 SER H H 33 8.420 8.604 -0.184 1
1 417 . 10 1 1 A 33 33 SER HA H 33 3.860 4.201 -0.341 1
1 420 . 10 1 1 A 33 33 SER C C 33 175.900 177.497 -1.597 1
1 421 . 10 1 1 A 33 33 SER CA C 33 63.100 61.671 1.429 1
1 422 . 10 1 1 A 33 33 SER CB C 33 62.900 62.533 0.367 1
1 423 . 10 1 1 A 33 33 SER N N 33 116.000 115.361 0.639 1
1 424 . 10 1 1 A 34 34 LEU H H 34 8.400 8.340 0.060 1
1 425 . 10 1 1 A 34 34 LEU HA H 34 4.010 4.010 0.000 1
1 435 . 10 1 1 A 34 34 LEU C C 34 179.500 178.812 0.688 1
1 436 . 10 1 1 A 34 34 LEU CA C 34 58.700 57.942 0.758 1
1 437 . 10 1 1 A 34 34 LEU CB C 34 41.500 41.408 0.092 1
1 441 . 10 1 1 A 34 34 LEU N N 34 120.400 122.935 -2.535 1
1 442 . 10 1 1 A 35 35 MET H H 35 7.970 8.332 -0.362 1
1 443 . 10 1 1 A 35 35 MET HA H 35 4.210 4.202 0.008 1
1 451 . 10 1 1 A 35 35 MET C C 35 178.900 177.826 1.074 1
1 452 . 10 1 1 A 35 35 MET CA C 35 59.100 58.535 0.565 1
1 453 . 10 1 1 A 35 35 MET CB C 35 33.100 32.397 0.703 1
1 456 . 10 1 1 A 35 35 MET N N 35 120.300 118.788 1.512 1
1 457 . 10 1 1 A 36 36 ALA H H 36 8.710 8.387 0.323 1
1 458 . 10 1 1 A 36 36 ALA HA H 36 3.900 4.050 -0.150 1
1 462 . 10 1 1 A 36 36 ALA C C 36 179.700 179.853 -0.153 1
1 463 . 10 1 1 A 36 36 ALA CA C 36 55.400 55.104 0.296 1
1 464 . 10 1 1 A 36 36 ALA CB C 36 18.600 18.400 0.200 1
1 465 . 10 1 1 A 36 36 ALA N N 36 121.700 121.556 0.144 1
1 466 . 10 1 1 A 37 37 LEU H H 37 8.750 8.623 0.127 1
1 467 . 10 1 1 A 37 37 LEU HA H 37 3.980 3.964 0.016 1
1 477 . 10 1 1 A 37 37 LEU C C 37 179.600 179.069 0.531 1
1 478 . 10 1 1 A 37 37 LEU CA C 37 59.000 58.187 0.813 1
1 479 . 10 1 1 A 37 37 LEU CB C 37 42.000 42.142 -0.142 1
1 483 . 10 1 1 A 37 37 LEU N N 37 118.100 118.912 -0.812 1
1 484 . 10 1 1 A 38 38 GLY H H 38 8.780 8.423 0.357 1
1 485 . 10 1 1 A 38 38 GLY HA2 H 38 3.650 3.789 -0.139 1
1 486 . 10 1 1 A 38 38 GLY HA3 H 38 3.940 3.793 0.147 1
1 487 . 10 1 1 A 38 38 GLY C C 38 175.600 176.076 -0.476 1
1 488 . 10 1 1 A 38 38 GLY CA C 38 48.300 47.470 0.830 1
1 489 . 10 1 1 A 38 38 GLY N N 38 105.600 105.284 0.316 1
1 490 . 10 1 1 A 39 39 ASN H H 39 8.180 8.118 0.062 1
1 491 . 10 1 1 A 39 39 ASN HA H 39 4.550 4.500 0.050 1
1 496 . 10 1 1 A 39 39 ASN C C 39 178.400 178.317 0.083 1
1 497 . 10 1 1 A 39 39 ASN CA C 39 56.000 56.132 -0.132 1
1 498 . 10 1 1 A 39 39 ASN CB C 39 39.200 37.920 1.280 1
1 500 . 10 1 1 A 39 39 ASN N N 39 120.000 119.444 0.556 1
1 502 . 10 1 1 A 40 40 CYS H H 40 8.420 8.175 0.245 1
1 503 . 10 1 1 A 40 40 CYS HA H 40 4.010 5.058 -1.048 1
1 506 . 10 1 1 A 40 40 CYS C C 40 176.000 176.727 -0.727 1
1 507 . 10 1 1 A 40 40 CYS CA C 40 65.300 63.386 1.914 1
1 508 . 10 1 1 A 40 40 CYS CB C 40 27.200 27.361 -0.161 1
1 509 . 10 1 1 A 40 40 CYS N N 40 120.200 118.576 1.624 1
1 510 . 10 1 1 A 41 41 VAL H H 41 7.830 8.198 -0.368 1
1 511 . 10 1 1 A 41 41 VAL HA H 41 3.250 3.340 -0.090 1
1 519 . 10 1 1 A 41 41 VAL C C 41 177.500 178.546 -1.046 1
1 520 . 10 1 1 A 41 41 VAL CA C 41 67.500 66.826 0.674 1
1 521 . 10 1 1 A 41 41 VAL CB C 41 30.800 31.559 -0.759 1
1 524 . 10 1 1 A 41 41 VAL N N 41 119.400 120.516 -1.116 1
1 525 . 10 1 1 A 42 42 THR H H 42 8.270 8.228 0.042 1
1 526 . 10 1 1 A 42 42 THR HA H 42 3.520 3.857 -0.337 1
1 531 . 10 1 1 A 42 42 THR C C 42 176.200 177.276 -1.076 1
1 532 . 10 1 1 A 42 42 THR CA C 42 67.800 66.750 1.050 1
1 533 . 10 1 1 A 42 42 THR CB C 42 67.800 68.445 -0.645 1
1 535 . 10 1 1 A 42 42 THR N N 42 113.600 116.654 -3.054 1
1 536 . 10 1 1 A 43 43 HIS H H 43 8.250 7.844 0.406 1
1 537 . 10 1 1 A 43 43 HIS HA H 43 4.310 4.604 -0.294 1
1 542 . 10 1 1 A 43 43 HIS C C 43 177.200 176.012 1.188 1
1 543 . 10 1 1 A 43 43 HIS CA C 43 59.300 58.386 0.914 1
1 544 . 10 1 1 A 43 43 HIS CB C 43 28.900 29.030 -0.130 1
1 547 . 10 1 1 A 43 43 HIS N N 43 120.000 119.330 0.670 1
1 550 . 10 1 1 A 44 44 LEU H H 44 8.070 7.491 0.579 1
1 551 . 10 1 1 A 44 44 LEU HA H 44 3.960 3.935 0.025 1
1 561 . 10 1 1 A 44 44 LEU C C 44 179.300 179.031 0.269 1
1 562 . 10 1 1 A 44 44 LEU CA C 44 58.400 56.952 1.448 1
1 563 . 10 1 1 A 44 44 LEU CB C 44 42.200 41.491 0.709 1
1 567 . 10 1 1 A 44 44 LEU N N 44 119.400 117.980 1.420 1
1 568 . 10 1 1 A 45 45 LEU H H 45 8.410 7.779 0.631 1
1 569 . 10 1 1 A 45 45 LEU HA H 45 3.850 3.966 -0.116 1
1 579 . 10 1 1 A 45 45 LEU C C 45 178.700 178.640 0.060 1
1 580 . 10 1 1 A 45 45 LEU CA C 45 58.200 58.086 0.114 1
1 581 . 10 1 1 A 45 45 LEU CB C 45 41.800 41.627 0.173 1
1 585 . 10 1 1 A 45 45 LEU N N 45 118.100 121.548 -3.448 1
1 586 . 10 1 1 A 46 46 GLU H H 46 8.120 8.221 -0.101 1
1 587 . 10 1 1 A 46 46 GLU HA H 46 3.740 4.012 -0.272 1
1 592 . 10 1 1 A 46 46 GLU C C 46 178.000 179.246 -1.246 1
1 593 . 10 1 1 A 46 46 GLU CA C 46 58.900 59.365 -0.465 1
1 594 . 10 1 1 A 46 46 GLU CB C 46 29.700 29.370 0.330 1
1 596 . 10 1 1 A 46 46 GLU N N 46 115.000 119.368 -4.368 1
1 597 . 10 1 1 A 47 47 ARG H H 47 7.740 7.540 0.200 1
1 598 . 10 1 1 A 47 47 ARG HA H 47 4.270 4.083 0.187 1
1 606 . 10 1 1 A 47 47 ARG C C 47 178.500 178.176 0.324 1
1 607 . 10 1 1 A 47 47 ARG CA C 47 57.000 58.584 -1.584 1
1 608 . 10 1 1 A 47 47 ARG CB C 47 31.600 30.276 1.324 1
1 611 . 10 1 1 A 47 47 ARG N N 47 114.000 120.448 -6.448 1
1 613 . 10 1 1 A 48 48 LYS H H 48 8.210 7.775 0.435 1
1 614 . 10 1 1 A 48 48 LYS HA H 48 4.620 4.326 0.294 1
1 623 . 10 1 1 A 48 48 LYS C C 48 176.400 176.178 0.222 1
1 624 . 10 1 1 A 48 48 LYS CA C 48 55.500 56.921 -1.421 1
1 625 . 10 1 1 A 48 48 LYS CB C 48 34.500 33.512 0.988 1
1 629 . 10 1 1 A 48 48 LYS N N 48 114.000 117.205 -3.205 1
1 630 . 10 1 1 A 49 49 VAL H H 49 7.630 7.702 -0.072 1
1 631 . 10 1 1 A 49 49 VAL HA H 49 4.710 4.332 0.378 1
1 639 . 10 1 1 A 49 49 VAL CA C 49 59.400 58.535 0.865 1
1 640 . 10 1 1 A 49 49 VAL CB C 49 33.600 33.933 -0.333 1
1 643 . 10 1 1 A 49 49 VAL N N 49 121.800 118.160 3.640 1
1 644 . 10 1 1 A 50 50 PRO HA H 50 4.460 4.544 -0.084 1
1 651 . 10 1 1 A 50 50 PRO C C 50 177.900 177.543 0.357 1
1 652 . 10 1 1 A 50 50 PRO CA C 50 63.200 62.642 0.558 1
1 653 . 10 1 1 A 50 50 PRO CB C 50 32.900 32.694 0.206 1
1 656 . 10 1 1 A 51 51 SER H H 51 8.950 8.712 0.238 1
1 657 . 10 1 1 A 51 51 SER HA H 51 3.910 4.202 -0.292 1
1 660 . 10 1 1 A 51 51 SER C C 51 176.300 176.738 -0.438 1
1 661 . 10 1 1 A 51 51 SER CA C 51 62.800 61.651 1.149 1
1 662 . 10 1 1 A 51 51 SER CB C 51 62.700 62.994 -0.294 1
1 663 . 10 1 1 A 51 51 SER N N 51 119.000 118.785 0.215 1
1 664 . 10 1 1 A 52 52 GLU H H 52 9.480 8.081 1.399 1
1 665 . 10 1 1 A 52 52 GLU HA H 52 4.220 4.142 0.078 1
1 670 . 10 1 1 A 52 52 GLU C C 52 177.000 177.765 -0.765 1
1 671 . 10 1 1 A 52 52 GLU CA C 52 59.200 59.002 0.198 1
1 672 . 10 1 1 A 52 52 GLU CB C 52 28.700 29.572 -0.872 1
1 674 . 10 1 1 A 52 52 GLU N N 52 118.900 122.137 -3.237 1
1 675 . 10 1 1 A 53 53 SER H H 53 7.770 7.767 0.003 1
1 676 . 10 1 1 A 53 53 SER HA H 53 4.940 4.528 0.412 1
1 679 . 10 1 1 A 53 53 SER C C 53 174.200 175.837 -1.637 1
1 680 . 10 1 1 A 53 53 SER CA C 53 58.200 59.246 -1.046 1
1 681 . 10 1 1 A 53 53 SER CB C 53 64.800 64.074 0.726 1
1 682 . 10 1 1 A 53 53 SER N N 53 112.500 114.698 -2.198 1
1 683 . 10 1 1 A 54 54 ARG H H 54 7.380 7.994 -0.614 1
1 684 . 10 1 1 A 54 54 ARG HA H 54 3.630 4.032 -0.402 1
1 696 . 10 1 1 A 54 54 ARG C C 54 177.200 179.036 -1.836 1
1 697 . 10 1 1 A 54 54 ARG CA C 54 61.400 59.558 1.842 1
1 698 . 10 1 1 A 54 54 ARG CB C 54 31.200 30.033 1.167 1
1 701 . 10 1 1 A 54 54 ARG N N 54 122.100 121.843 0.257 1
1 703 . 10 1 1 A 55 55 GLN H H 55 9.010 8.158 0.852 1
1 704 . 10 1 1 A 55 55 GLN HA H 55 3.840 4.018 -0.178 1
1 711 . 10 1 1 A 55 55 GLN C C 55 178.000 178.343 -0.343 1
1 712 . 10 1 1 A 55 55 GLN CA C 55 59.700 58.896 0.804 1
1 713 . 10 1 1 A 55 55 GLN CB C 55 28.100 28.744 -0.644 1
1 716 . 10 1 1 A 55 55 GLN N N 55 118.000 118.884 -0.884 1
1 718 . 10 1 1 A 56 56 ALA H H 56 8.280 7.908 0.372 1
1 719 . 10 1 1 A 56 56 ALA HA H 56 4.190 4.083 0.107 1
1 723 . 10 1 1 A 56 56 ALA C C 56 181.200 179.719 1.481 1
1 724 . 10 1 1 A 56 56 ALA CA C 56 55.200 55.070 0.130 1
1 725 . 10 1 1 A 56 56 ALA CB C 56 17.900 18.411 -0.511 1
1 726 . 10 1 1 A 56 56 ALA N N 56 122.300 123.369 -1.069 1
1 727 . 10 1 1 A 57 57 VAL H H 57 8.150 8.116 0.034 1
1 728 . 10 1 1 A 57 57 VAL HA H 57 3.740 3.897 -0.157 1
1 736 . 10 1 1 A 57 57 VAL C C 57 178.900 178.096 0.804 1
1 737 . 10 1 1 A 57 57 VAL CA C 57 66.700 64.542 2.158 1
1 738 . 10 1 1 A 57 57 VAL CB C 57 31.700 31.295 0.405 1
1 741 . 10 1 1 A 57 57 VAL N N 57 119.600 116.303 3.297 1
1 742 . 10 1 1 A 58 58 ALA H H 58 8.370 8.095 0.275 1
1 743 . 10 1 1 A 58 58 ALA HA H 58 3.910 4.038 -0.128 1
1 747 . 10 1 1 A 58 58 ALA C C 58 179.500 179.958 -0.458 1
1 748 . 10 1 1 A 58 58 ALA CA C 58 55.800 55.806 -0.006 1
1 749 . 10 1 1 A 58 58 ALA CB C 58 18.500 17.892 0.608 1
1 750 . 10 1 1 A 58 58 ALA N N 58 123.000 124.259 -1.259 1
1 751 . 10 1 1 A 59 59 GLU H H 59 8.630 7.882 0.748 1
1 752 . 10 1 1 A 59 59 GLU HA H 59 4.100 3.953 0.147 1
1 757 . 10 1 1 A 59 59 GLU C C 59 179.400 179.314 0.086 1
1 758 . 10 1 1 A 59 59 GLU CA C 59 59.600 59.995 -0.395 1
1 759 . 10 1 1 A 59 59 GLU CB C 59 29.300 29.782 -0.482 1
1 761 . 10 1 1 A 59 59 GLU N N 59 118.400 117.698 0.702 1
1 762 . 10 1 1 A 60 60 GLN H H 60 8.280 8.021 0.259 1
1 763 . 10 1 1 A 60 60 GLN HA H 60 4.090 4.072 0.018 1
1 770 . 10 1 1 A 60 60 GLN C C 60 178.700 178.314 0.386 1
1 771 . 10 1 1 A 60 60 GLN CA C 60 59.100 58.857 0.243 1
1 772 . 10 1 1 A 60 60 GLN CB C 60 28.100 28.447 -0.347 1
1 775 . 10 1 1 A 60 60 GLN N N 60 120.400 118.677 1.723 1
1 777 . 10 1 1 A 61 61 PHE H H 61 8.400 8.972 -0.572 1
1 778 . 10 1 1 A 61 61 PHE HA H 61 4.160 4.304 -0.144 1
1 786 . 10 1 1 A 61 61 PHE C C 61 177.600 177.539 0.061 1
1 787 . 10 1 1 A 61 61 PHE CA C 61 61.400 61.623 -0.223 1
1 788 . 10 1 1 A 61 61 PHE CB C 61 39.100 39.140 -0.040 1
1 794 . 10 1 1 A 61 61 PHE N N 61 122.000 121.347 0.653 1
1 795 . 10 1 1 A 62 62 ALA H H 62 8.620 8.344 0.276 1
1 796 . 10 1 1 A 62 62 ALA HA H 62 3.980 4.071 -0.091 1
1 800 . 10 1 1 A 62 62 ALA C C 62 179.700 179.350 0.350 1
1 801 . 10 1 1 A 62 62 ALA CA C 62 55.500 55.239 0.261 1
1 802 . 10 1 1 A 62 62 ALA CB C 62 18.900 18.202 0.698 1
1 803 . 10 1 1 A 62 62 ALA N N 62 122.000 121.068 0.932 1
1 804 . 10 1 1 A 63 63 LYS H H 63 8.470 8.299 0.171 1
1 805 . 10 1 1 A 63 63 LYS HA H 63 4.050 3.947 0.103 1
1 814 . 10 1 1 A 63 63 LYS C C 63 179.200 178.551 0.649 1
1 815 . 10 1 1 A 63 63 LYS CA C 63 59.600 59.482 0.118 1
1 816 . 10 1 1 A 63 63 LYS CB C 63 32.600 32.350 0.250 1
1 820 . 10 1 1 A 63 63 LYS N N 63 119.500 118.658 0.842 1
1 821 . 10 1 1 A 64 64 ALA H H 64 8.000 8.360 -0.360 1
1 822 . 10 1 1 A 64 64 ALA HA H 64 4.100 4.025 0.075 1
1 826 . 10 1 1 A 64 64 ALA C C 64 180.700 180.015 0.685 1
1 827 . 10 1 1 A 64 64 ALA CA C 64 55.000 54.919 0.081 1
1 828 . 10 1 1 A 64 64 ALA CB C 64 17.700 17.951 -0.251 1
1 829 . 10 1 1 A 64 64 ALA N N 64 122.000 120.428 1.572 1
1 830 . 10 1 1 A 65 65 LEU H H 65 7.830 8.111 -0.281 1
1 831 . 10 1 1 A 65 65 LEU HA H 65 3.950 3.885 0.065 1
1 841 . 10 1 1 A 65 65 LEU C C 65 178.900 178.184 0.716 1
1 842 . 10 1 1 A 65 65 LEU CA C 65 57.800 57.711 0.089 1
1 843 . 10 1 1 A 65 65 LEU CB C 65 41.700 41.789 -0.089 1
1 847 . 10 1 1 A 65 65 LEU N N 65 120.600 120.248 0.352 1
1 848 . 10 1 1 A 66 66 ALA H H 66 7.990 8.683 -0.693 1
1 849 . 10 1 1 A 66 66 ALA HA H 66 3.840 3.926 -0.086 1
1 853 . 10 1 1 A 66 66 ALA C C 66 180.300 179.398 0.902 1
1 854 . 10 1 1 A 66 66 ALA CA C 66 55.500 55.153 0.347 1
1 855 . 10 1 1 A 66 66 ALA CB C 66 17.900 18.084 -0.184 1
1 856 . 10 1 1 A 66 66 ALA N N 66 120.900 120.771 0.129 1
1 857 . 10 1 1 A 67 67 GLN H H 67 8.140 8.212 -0.072 1
1 858 . 10 1 1 A 67 67 GLN HA H 67 4.070 4.059 0.011 1
1 865 . 10 1 1 A 67 67 GLN C C 67 178.400 178.284 0.116 1
1 866 . 10 1 1 A 67 67 GLN CA C 67 58.300 57.703 0.597 1
1 867 . 10 1 1 A 67 67 GLN CB C 67 28.400 28.959 -0.559 1
1 870 . 10 1 1 A 67 67 GLN N N 67 116.600 118.763 -2.163 1
1 872 . 10 1 1 A 68 68 SER H H 68 8.120 8.349 -0.229 1
1 873 . 10 1 1 A 68 68 SER HA H 68 4.220 4.294 -0.074 1
1 876 . 10 1 1 A 68 68 SER C C 68 176.500 177.317 -0.817 1
1 877 . 10 1 1 A 68 68 SER CA C 68 61.500 61.037 0.463 1
1 878 . 10 1 1 A 68 68 SER CB C 68 63.000 62.567 0.433 1
1 879 . 10 1 1 A 68 68 SER N N 68 116.700 115.981 0.719 1
1 880 . 10 1 1 A 69 69 VAL H H 69 7.660 7.798 -0.138 1
1 881 . 10 1 1 A 69 69 VAL HA H 69 3.860 3.680 0.180 1
1 889 . 10 1 1 A 69 69 VAL C C 69 177.400 178.067 -0.667 1
1 890 . 10 1 1 A 69 69 VAL CA C 69 64.900 66.246 -1.346 1
1 891 . 10 1 1 A 69 69 VAL CB C 69 31.900 31.588 0.312 1
1 894 . 10 1 1 A 69 69 VAL N N 69 119.800 122.020 -2.220 1
1 895 . 10 1 1 A 70 70 LYS H H 70 7.860 7.807 0.053 1
1 896 . 10 1 1 A 70 70 LYS HA H 70 4.040 4.128 -0.088 1
1 905 . 10 1 1 A 70 70 LYS C C 70 178.400 177.752 0.648 1
1 906 . 10 1 1 A 70 70 LYS CA C 70 59.200 58.891 0.309 1
1 907 . 10 1 1 A 70 70 LYS CB C 70 32.800 32.224 0.576 1
1 911 . 10 1 1 A 70 70 LYS N N 70 121.300 120.284 1.016 1
1 912 . 10 1 1 A 71 71 SER H H 71 8.390 8.396 -0.006 1
1 913 . 10 1 1 A 71 71 SER HA H 71 4.280 4.559 -0.279 1
1 916 . 10 1 1 A 71 71 SER C C 71 176.000 175.227 0.773 1
1 917 . 10 1 1 A 71 71 SER CA C 71 60.700 59.773 0.927 1
1 918 . 10 1 1 A 71 71 SER CB C 71 63.300 63.288 0.012 1
1 919 . 10 1 1 A 71 71 SER N N 71 114.400 116.512 -2.112 1
1 920 . 10 1 1 A 72 72 ASN H H 72 7.940 8.326 -0.386 1
1 921 . 10 1 1 A 72 72 ASN HA H 72 4.630 4.563 0.067 1
1 926 . 10 1 1 A 72 72 ASN C C 72 176.700 176.987 -0.287 1
1 927 . 10 1 1 A 72 72 ASN CA C 72 55.000 56.554 -1.554 1
1 928 . 10 1 1 A 72 72 ASN CB C 72 39.000 38.961 0.039 1
1 930 . 10 1 1 A 72 72 ASN N N 72 119.700 120.231 -0.531 1
1 932 . 10 1 1 A 73 73 LEU H H 73 7.900 7.701 0.199 1
1 933 . 10 1 1 A 73 73 LEU HA H 73 4.180 4.625 -0.445 1
1 943 . 10 1 1 A 73 73 LEU C C 73 178.400 177.005 1.395 1
1 944 . 10 1 1 A 73 73 LEU CA C 73 56.700 55.770 0.930 1
1 945 . 10 1 1 A 73 73 LEU CB C 73 42.300 42.774 -0.474 1
1 949 . 10 1 1 A 73 73 LEU N N 73 121.000 112.667 8.333 1
1 950 . 10 1 1 A 74 74 GLU H H 74 8.060 7.904 0.156 1
1 951 . 10 1 1 A 74 74 GLU HA H 74 4.120 3.919 0.201 1
1 956 . 10 1 1 A 74 74 GLU C C 74 177.100 177.352 -0.252 1
1 957 . 10 1 1 A 74 74 GLU CA C 74 57.400 57.919 -0.519 1
1 958 . 10 1 1 A 74 74 GLU CB C 74 29.900 29.720 0.180 1
1 960 . 10 1 1 A 74 74 GLU N N 74 119.300 121.016 -1.716 1
1 961 . 10 1 1 A 75 75 HIS H H 75 8.140 8.435 -0.295 1
1 962 . 10 1 1 A 75 75 HIS HA H 75 4.590 4.079 0.511 1
1 966 . 10 1 1 A 75 75 HIS C C 75 174.900 174.090 0.810 1
1 967 . 10 1 1 A 75 75 HIS CA C 75 56.100 57.412 -1.312 1
1 968 . 10 1 1 A 75 75 HIS CB C 75 29.000 27.276 1.724 1
1 970 . 10 1 1 A 75 75 HIS N N 75 117.500 117.482 0.018 1
1 971 . 10 1 1 A 76 76 HIS H H 76 8.240 7.751 0.489 1
1 972 . 10 1 1 A 76 76 HIS C C 76 174.500 175.561 -1.061 1
1 973 . 10 1 1 A 76 76 HIS CA C 76 55.900 54.048 1.852 1
1 974 . 10 1 1 A 76 76 HIS CB C 76 29.300 33.053 -3.753 1
1 975 . 10 1 1 A 76 76 HIS N N 76 118.300 118.324 -0.024 1
1 976 . 10 1 1 A 77 77 HIS H H 77 8.400 9.099 -0.699 1
1 977 . 10 1 1 A 77 77 HIS HA H 77 4.640 4.465 0.175 1
1 980 . 10 1 1 A 77 77 HIS C C 77 173.700 174.368 -0.668 1
1 981 . 10 1 1 A 77 77 HIS CA C 77 55.700 57.728 -2.028 1
1 982 . 10 1 1 A 77 77 HIS CB C 77 29.700 29.521 0.179 1
1 983 . 10 1 1 A 77 77 HIS N N 77 119.300 120.819 -1.519 1
1 984 . 10 1 1 A 78 78 HIS H H 78 8.330 8.620 -0.290 1
1 985 . 10 1 1 A 78 78 HIS CA C 78 57.200 54.542 2.658 1
1 986 . 10 1 1 A 78 78 HIS CB C 78 29.900 28.700 1.200 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 4.140 4.223 -0.083 1
1 5 . 11 1 1 A 2 2 ALA C C 2 173.800 178.069 -4.269 1
1 6 . 11 1 1 A 2 2 ALA CA C 2 51.800 51.740 0.060 1
1 7 . 11 1 1 A 2 2 ALA CB C 2 19.600 18.160 1.440 1
1 8 . 11 1 1 A 3 3 ILE H H 3 8.540 7.892 0.648 1
1 9 . 11 1 1 A 3 3 ILE HA H 3 4.190 4.319 -0.129 1
1 19 . 11 1 1 A 3 3 ILE C C 3 176.000 176.133 -0.133 1
1 20 . 11 1 1 A 3 3 ILE CA C 3 61.300 61.124 0.176 1
1 21 . 11 1 1 A 3 3 ILE CB C 3 38.800 37.882 0.918 1
1 25 . 11 1 1 A 3 3 ILE N N 3 120.500 119.312 1.188 1
1 26 . 11 1 1 A 4 4 GLN H H 4 8.570 7.667 0.903 1
1 27 . 11 1 1 A 4 4 GLN HA H 4 4.400 4.546 -0.146 1
1 34 . 11 1 1 A 4 4 GLN C C 4 175.700 175.084 0.616 1
1 35 . 11 1 1 A 4 4 GLN CA C 4 55.800 54.960 0.840 1
1 36 . 11 1 1 A 4 4 GLN CB C 4 29.600 30.389 -0.789 1
1 39 . 11 1 1 A 4 4 GLN N N 4 125.100 123.004 2.096 1
1 41 . 11 1 1 A 5 5 SER H H 5 8.440 8.468 -0.028 1
1 42 . 11 1 1 A 5 5 SER HA H 5 4.420 4.862 -0.442 1
1 45 . 11 1 1 A 5 5 SER C C 5 174.300 175.692 -1.392 1
1 46 . 11 1 1 A 5 5 SER CA C 5 58.200 56.373 1.827 1
1 47 . 11 1 1 A 5 5 SER CB C 5 64.000 64.124 -0.124 1
1 48 . 11 1 1 A 5 5 SER N N 5 118.100 113.201 4.899 1
1 49 . 11 1 1 A 6 6 LYS H H 6 8.320 8.839 -0.519 1
1 50 . 11 1 1 A 6 6 LYS HA H 6 4.110 3.944 0.166 1
1 59 . 11 1 1 A 6 6 LYS C C 6 176.000 175.611 0.389 1
1 60 . 11 1 1 A 6 6 LYS CA C 6 57.200 58.882 -1.682 1
1 61 . 11 1 1 A 6 6 LYS CB C 6 33.100 31.911 1.189 1
1 65 . 11 1 1 A 6 6 LYS N N 6 123.600 118.289 5.311 1
1 66 . 11 1 1 A 7 7 TYR H H 7 8.000 7.640 0.360 1
1 67 . 11 1 1 A 7 7 TYR HA H 7 4.800 5.242 -0.442 1
1 74 . 11 1 1 A 7 7 TYR C C 7 175.800 174.738 1.062 1
1 75 . 11 1 1 A 7 7 TYR CA C 7 57.000 56.733 0.267 1
1 76 . 11 1 1 A 7 7 TYR CB C 7 39.900 42.087 -2.187 1
1 81 . 11 1 1 A 7 7 TYR N N 7 118.900 117.981 0.919 1
1 82 . 11 1 1 A 8 8 SER H H 8 8.770 8.255 0.515 1
1 83 . 11 1 1 A 8 8 SER HA H 8 4.510 4.607 -0.097 1
1 86 . 11 1 1 A 8 8 SER C C 8 175.000 175.553 -0.553 1
1 87 . 11 1 1 A 8 8 SER CA C 8 57.500 57.115 0.385 1
1 88 . 11 1 1 A 8 8 SER CB C 8 64.700 64.294 0.406 1
1 89 . 11 1 1 A 8 8 SER N N 8 118.600 117.487 1.113 1
1 90 . 11 1 1 A 9 9 ASN H H 9 8.910 9.018 -0.108 1
1 91 . 11 1 1 A 9 9 ASN HA H 9 4.540 4.432 0.108 1
1 96 . 11 1 1 A 9 9 ASN C C 9 177.200 177.690 -0.490 1
1 97 . 11 1 1 A 9 9 ASN CA C 9 55.900 57.092 -1.192 1
1 98 . 11 1 1 A 9 9 ASN CB C 9 38.200 37.996 0.204 1
1 100 . 11 1 1 A 9 9 ASN N N 9 121.400 125.980 -4.580 1
1 102 . 11 1 1 A 10 10 THR H H 10 8.180 8.105 0.075 1
1 103 . 11 1 1 A 10 10 THR HA H 10 4.070 4.032 0.038 1
1 108 . 11 1 1 A 10 10 THR C C 10 176.600 176.196 0.404 1
1 109 . 11 1 1 A 10 10 THR CA C 10 65.300 64.934 0.366 1
1 110 . 11 1 1 A 10 10 THR CB C 10 68.800 68.814 -0.014 1
1 112 . 11 1 1 A 10 10 THR N N 10 113.500 114.985 -1.485 1
1 113 . 11 1 1 A 11 11 GLN H H 11 7.950 8.063 -0.113 1
1 114 . 11 1 1 A 11 11 GLN HA H 11 4.160 4.052 0.108 1
1 121 . 11 1 1 A 11 11 GLN C C 11 178.400 178.401 -0.001 1
1 122 . 11 1 1 A 11 11 GLN CA C 11 59.000 58.865 0.135 1
1 123 . 11 1 1 A 11 11 GLN CB C 11 29.200 28.838 0.362 1
1 126 . 11 1 1 A 11 11 GLN N N 11 122.500 120.594 1.906 1
1 128 . 11 1 1 A 12 12 VAL H H 12 7.850 7.982 -0.132 1
1 129 . 11 1 1 A 12 12 VAL HA H 12 3.540 3.537 0.003 1
1 137 . 11 1 1 A 12 12 VAL C C 12 177.400 177.746 -0.346 1
1 138 . 11 1 1 A 12 12 VAL CA C 12 66.400 66.730 -0.330 1
1 139 . 11 1 1 A 12 12 VAL CB C 12 32.300 31.413 0.887 1
1 142 . 11 1 1 A 12 12 VAL N N 12 119.000 119.688 -0.688 1
1 143 . 11 1 1 A 13 13 GLU H H 13 8.550 8.603 -0.053 1
1 144 . 11 1 1 A 13 13 GLU HA H 13 3.910 3.966 -0.056 1
1 149 . 11 1 1 A 13 13 GLU C C 13 179.500 179.092 0.408 1
1 150 . 11 1 1 A 13 13 GLU CA C 13 59.700 59.752 -0.052 1
1 151 . 11 1 1 A 13 13 GLU CB C 13 29.100 29.527 -0.427 1
1 153 . 11 1 1 A 13 13 GLU N N 13 118.300 120.712 -2.412 1
1 154 . 11 1 1 A 14 14 SER H H 14 8.080 8.256 -0.176 1
1 155 . 11 1 1 A 14 14 SER HA H 14 4.260 4.101 0.159 1
1 158 . 11 1 1 A 14 14 SER C C 14 176.200 176.328 -0.128 1
1 159 . 11 1 1 A 14 14 SER CA C 14 61.700 62.368 -0.668 1
1 160 . 11 1 1 A 14 14 SER CB C 14 62.800 62.812 -0.012 1
1 161 . 11 1 1 A 14 14 SER N N 14 114.600 117.140 -2.540 1
1 162 . 11 1 1 A 15 15 LEU H H 15 7.110 8.045 -0.935 1
1 163 . 11 1 1 A 15 15 LEU HA H 15 3.690 3.864 -0.174 1
1 173 . 11 1 1 A 15 15 LEU C C 15 177.800 179.071 -1.271 1
1 174 . 11 1 1 A 15 15 LEU CA C 15 57.700 58.197 -0.497 1
1 175 . 11 1 1 A 15 15 LEU CB C 15 42.300 42.221 0.079 1
1 179 . 11 1 1 A 15 15 LEU N N 15 122.200 120.521 1.679 1
1 180 . 11 1 1 A 16 16 ILE H H 16 8.030 8.292 -0.262 1
1 181 . 11 1 1 A 16 16 ILE HA H 16 3.220 3.711 -0.491 1
1 191 . 11 1 1 A 16 16 ILE C C 16 177.200 177.910 -0.710 1
1 192 . 11 1 1 A 16 16 ILE CA C 16 66.000 65.810 0.190 1
1 193 . 11 1 1 A 16 16 ILE CB C 16 39.100 37.829 1.271 1
1 197 . 11 1 1 A 16 16 ILE N N 16 117.900 118.307 -0.407 1
1 198 . 11 1 1 A 17 17 ALA H H 17 7.960 8.712 -0.752 1
1 199 . 11 1 1 A 17 17 ALA HA H 17 3.930 3.989 -0.059 1
1 203 . 11 1 1 A 17 17 ALA C C 17 180.600 179.541 1.059 1
1 204 . 11 1 1 A 17 17 ALA CA C 17 55.400 55.892 -0.492 1
1 205 . 11 1 1 A 17 17 ALA CB C 17 18.000 18.455 -0.455 1
1 206 . 11 1 1 A 17 17 ALA N N 17 118.300 122.519 -4.219 1
1 207 . 11 1 1 A 18 18 GLU H H 18 7.630 7.835 -0.205 1
1 208 . 11 1 1 A 18 18 GLU HA H 18 4.030 4.103 -0.073 1
1 213 . 11 1 1 A 18 18 GLU C C 18 179.400 179.233 0.167 1
1 214 . 11 1 1 A 18 18 GLU CA C 18 59.800 58.511 1.289 1
1 215 . 11 1 1 A 18 18 GLU CB C 18 30.300 29.355 0.945 1
1 217 . 11 1 1 A 18 18 GLU N N 18 116.300 118.711 -2.411 1
1 218 . 11 1 1 A 19 19 ILE H H 19 8.110 7.747 0.363 1
1 219 . 11 1 1 A 19 19 ILE HA H 19 3.590 3.689 -0.099 1
1 229 . 11 1 1 A 19 19 ILE C C 19 177.800 178.571 -0.771 1
1 230 . 11 1 1 A 19 19 ILE CA C 19 66.500 65.279 1.221 1
1 231 . 11 1 1 A 19 19 ILE CB C 19 37.500 37.508 -0.008 1
1 235 . 11 1 1 A 19 19 ILE N N 19 121.100 121.042 0.058 1
1 236 . 11 1 1 A 20 20 LEU H H 20 8.480 8.137 0.343 1
1 237 . 11 1 1 A 20 20 LEU HA H 20 4.020 4.013 0.007 1
1 247 . 11 1 1 A 20 20 LEU C C 20 180.500 178.760 1.740 1
1 248 . 11 1 1 A 20 20 LEU CA C 20 58.600 58.115 0.485 1
1 249 . 11 1 1 A 20 20 LEU CB C 20 40.400 41.885 -1.485 1
1 253 . 11 1 1 A 20 20 LEU N N 20 118.300 119.750 -1.450 1
1 254 . 11 1 1 A 21 21 VAL H H 21 7.810 8.275 -0.465 1
1 255 . 11 1 1 A 21 21 VAL HA H 21 3.770 3.617 0.153 1
1 263 . 11 1 1 A 21 21 VAL C C 21 178.200 178.414 -0.214 1
1 264 . 11 1 1 A 21 21 VAL CA C 21 66.800 66.299 0.501 1
1 265 . 11 1 1 A 21 21 VAL CB C 21 31.600 31.539 0.061 1
1 268 . 11 1 1 A 21 21 VAL N N 21 119.700 119.312 0.388 1
1 269 . 11 1 1 A 22 22 VAL H H 22 7.530 8.168 -0.638 1
1 270 . 11 1 1 A 22 22 VAL HA H 22 3.610 3.554 0.056 1
1 278 . 11 1 1 A 22 22 VAL C C 22 178.500 178.053 0.447 1
1 279 . 11 1 1 A 22 22 VAL CA C 22 67.300 67.007 0.293 1
1 280 . 11 1 1 A 22 22 VAL CB C 22 31.500 31.570 -0.070 1
1 283 . 11 1 1 A 22 22 VAL N N 22 121.400 120.590 0.810 1
1 284 . 11 1 1 A 23 23 LEU H H 23 7.610 7.952 -0.342 1
1 285 . 11 1 1 A 23 23 LEU HA H 23 3.880 3.902 -0.022 1
1 295 . 11 1 1 A 23 23 LEU C C 23 179.700 179.780 -0.080 1
1 296 . 11 1 1 A 23 23 LEU CA C 23 58.400 58.472 -0.072 1
1 297 . 11 1 1 A 23 23 LEU CB C 23 40.900 41.298 -0.398 1
1 301 . 11 1 1 A 23 23 LEU N N 23 116.800 118.634 -1.834 1
1 302 . 11 1 1 A 24 24 GLU H H 24 8.160 8.528 -0.368 1
1 303 . 11 1 1 A 24 24 GLU HA H 24 4.170 3.934 0.236 1
1 308 . 11 1 1 A 24 24 GLU C C 24 180.900 179.386 1.514 1
1 309 . 11 1 1 A 24 24 GLU CA C 24 59.000 59.717 -0.717 1
1 310 . 11 1 1 A 24 24 GLU CB C 24 29.700 29.537 0.163 1
1 312 . 11 1 1 A 24 24 GLU N N 24 119.200 117.734 1.466 1
1 313 . 11 1 1 A 25 25 LYS H H 25 8.980 8.341 0.639 1
1 314 . 11 1 1 A 25 25 LYS HA H 25 4.050 4.080 -0.030 1
1 323 . 11 1 1 A 25 25 LYS C C 25 178.600 178.615 -0.015 1
1 324 . 11 1 1 A 25 25 LYS CA C 25 59.300 58.994 0.306 1
1 325 . 11 1 1 A 25 25 LYS CB C 25 32.100 32.187 -0.087 1
1 329 . 11 1 1 A 25 25 LYS N N 25 122.900 121.527 1.373 1
1 330 . 11 1 1 A 26 26 HIS H H 26 7.400 7.408 -0.008 1
1 331 . 11 1 1 A 26 26 HIS HA H 26 4.460 4.627 -0.167 1
1 336 . 11 1 1 A 26 26 HIS C C 26 173.600 174.551 -0.951 1
1 337 . 11 1 1 A 26 26 HIS CA C 26 56.500 56.178 0.322 1
1 338 . 11 1 1 A 26 26 HIS CB C 26 29.200 30.123 -0.923 1
1 341 . 11 1 1 A 26 26 HIS N N 26 113.800 113.929 -0.129 1
1 342 . 11 1 1 A 27 27 LYS H H 27 8.200 7.942 0.258 1
1 343 . 11 1 1 A 27 27 LYS HA H 27 3.950 3.892 0.058 1
1 352 . 11 1 1 A 27 27 LYS C C 27 176.500 175.220 1.280 1
1 353 . 11 1 1 A 27 27 LYS CA C 27 56.600 57.199 -0.599 1
1 354 . 11 1 1 A 27 27 LYS CB C 27 29.600 30.964 -1.364 1
1 358 . 11 1 1 A 27 27 LYS N N 27 119.500 119.163 0.337 1
1 359 . 11 1 1 A 28 28 ALA H H 28 7.760 7.604 0.156 1
1 360 . 11 1 1 A 28 28 ALA HA H 28 4.490 4.624 -0.134 1
1 364 . 11 1 1 A 28 28 ALA CA C 28 51.000 50.276 0.724 1
1 365 . 11 1 1 A 28 28 ALA CB C 28 19.200 19.600 -0.400 1
1 366 . 11 1 1 A 28 28 ALA N N 28 121.500 119.852 1.648 1
1 367 . 11 1 1 A 29 29 PRO HA H 29 4.720 4.527 0.193 1
1 374 . 11 1 1 A 29 29 PRO C C 29 177.400 177.317 0.083 1
1 375 . 11 1 1 A 29 29 PRO CA C 29 62.100 62.698 -0.598 1
1 376 . 11 1 1 A 29 29 PRO CB C 29 33.000 33.270 -0.270 1
1 379 . 11 1 1 A 30 30 THR H H 30 8.830 8.413 0.417 1
1 380 . 11 1 1 A 30 30 THR HA H 30 3.680 3.940 -0.260 1
1 385 . 11 1 1 A 30 30 THR C C 30 175.200 175.829 -0.629 1
1 386 . 11 1 1 A 30 30 THR CA C 30 67.400 65.662 1.738 1
1 387 . 11 1 1 A 30 30 THR CB C 30 68.500 68.743 -0.243 1
1 389 . 11 1 1 A 30 30 THR N N 30 120.400 117.157 3.243 1
1 390 . 11 1 1 A 31 31 ASP H H 31 8.880 8.100 0.780 1
1 391 . 11 1 1 A 31 31 ASP HA H 31 4.220 4.404 -0.184 1
1 394 . 11 1 1 A 31 31 ASP C C 31 179.000 178.689 0.311 1
1 395 . 11 1 1 A 31 31 ASP CA C 31 57.400 57.113 0.287 1
1 396 . 11 1 1 A 31 31 ASP CB C 31 38.700 40.802 -2.102 1
1 397 . 11 1 1 A 31 31 ASP N N 31 118.600 120.474 -1.874 1
1 398 . 11 1 1 A 32 32 LEU H H 32 7.540 7.975 -0.435 1
1 399 . 11 1 1 A 32 32 LEU HA H 32 3.970 4.003 -0.033 1
1 409 . 11 1 1 A 32 32 LEU C C 32 178.100 178.997 -0.897 1
1 410 . 11 1 1 A 32 32 LEU CA C 32 57.500 57.717 -0.217 1
1 411 . 11 1 1 A 32 32 LEU CB C 32 40.600 41.412 -0.812 1
1 415 . 11 1 1 A 32 32 LEU N N 32 124.300 121.892 2.408 1
1 416 . 11 1 1 A 33 33 SER H H 33 8.420 8.135 0.285 1
1 417 . 11 1 1 A 33 33 SER HA H 33 3.860 4.074 -0.214 1
1 420 . 11 1 1 A 33 33 SER C C 33 175.900 176.067 -0.167 1
1 421 . 11 1 1 A 33 33 SER CA C 33 63.100 62.388 0.712 1
1 422 . 11 1 1 A 33 33 SER CB C 33 62.900 63.221 -0.321 1
1 423 . 11 1 1 A 33 33 SER N N 33 116.000 117.085 -1.085 1
1 424 . 11 1 1 A 34 34 LEU H H 34 8.400 8.427 -0.027 1
1 425 . 11 1 1 A 34 34 LEU HA H 34 4.010 4.005 0.005 1
1 435 . 11 1 1 A 34 34 LEU C C 34 179.500 178.713 0.787 1
1 436 . 11 1 1 A 34 34 LEU CA C 34 58.700 57.922 0.778 1
1 437 . 11 1 1 A 34 34 LEU CB C 34 41.500 41.546 -0.046 1
1 441 . 11 1 1 A 34 34 LEU N N 34 120.400 120.952 -0.552 1
1 442 . 11 1 1 A 35 35 MET H H 35 7.970 8.558 -0.588 1
1 443 . 11 1 1 A 35 35 MET HA H 35 4.210 4.271 -0.061 1
1 451 . 11 1 1 A 35 35 MET C C 35 178.900 177.883 1.017 1
1 452 . 11 1 1 A 35 35 MET CA C 35 59.100 58.720 0.380 1
1 453 . 11 1 1 A 35 35 MET CB C 35 33.100 32.098 1.002 1
1 456 . 11 1 1 A 35 35 MET N N 35 120.300 118.750 1.550 1
1 457 . 11 1 1 A 36 36 ALA H H 36 8.710 7.787 0.923 1
1 458 . 11 1 1 A 36 36 ALA HA H 36 3.900 4.016 -0.116 1
1 462 . 11 1 1 A 36 36 ALA C C 36 179.700 179.961 -0.261 1
1 463 . 11 1 1 A 36 36 ALA CA C 36 55.400 55.123 0.277 1
1 464 . 11 1 1 A 36 36 ALA CB C 36 18.600 18.398 0.202 1
1 465 . 11 1 1 A 36 36 ALA N N 36 121.700 121.309 0.391 1
1 466 . 11 1 1 A 37 37 LEU H H 37 8.750 8.588 0.162 1
1 467 . 11 1 1 A 37 37 LEU HA H 37 3.980 3.942 0.038 1
1 477 . 11 1 1 A 37 37 LEU C C 37 179.600 179.157 0.443 1
1 478 . 11 1 1 A 37 37 LEU CA C 37 59.000 57.949 1.051 1
1 479 . 11 1 1 A 37 37 LEU CB C 37 42.000 41.983 0.017 1
1 483 . 11 1 1 A 37 37 LEU N N 37 118.100 118.972 -0.872 1
1 484 . 11 1 1 A 38 38 GLY H H 38 8.780 8.638 0.142 1
1 485 . 11 1 1 A 38 38 GLY HA2 H 38 3.650 3.736 -0.086 1
1 486 . 11 1 1 A 38 38 GLY HA3 H 38 3.940 3.748 0.192 1
1 487 . 11 1 1 A 38 38 GLY C C 38 175.600 175.532 0.068 1
1 488 . 11 1 1 A 38 38 GLY CA C 38 48.300 47.771 0.529 1
1 489 . 11 1 1 A 38 38 GLY N N 38 105.600 105.702 -0.102 1
1 490 . 11 1 1 A 39 39 ASN H H 39 8.180 7.623 0.557 1
1 491 . 11 1 1 A 39 39 ASN HA H 39 4.550 4.573 -0.023 1
1 496 . 11 1 1 A 39 39 ASN C C 39 178.400 178.090 0.310 1
1 497 . 11 1 1 A 39 39 ASN CA C 39 56.000 56.066 -0.066 1
1 498 . 11 1 1 A 39 39 ASN CB C 39 39.200 37.939 1.261 1
1 500 . 11 1 1 A 39 39 ASN N N 39 120.000 119.560 0.440 1
1 502 . 11 1 1 A 40 40 CYS H H 40 8.420 7.927 0.493 1
1 503 . 11 1 1 A 40 40 CYS HA H 40 4.010 4.155 -0.145 1
1 506 . 11 1 1 A 40 40 CYS C C 40 176.000 177.542 -1.542 1
1 507 . 11 1 1 A 40 40 CYS CA C 40 65.300 63.917 1.383 1
1 508 . 11 1 1 A 40 40 CYS CB C 40 27.200 27.298 -0.098 1
1 509 . 11 1 1 A 40 40 CYS N N 40 120.200 118.417 1.783 1
1 510 . 11 1 1 A 41 41 VAL H H 41 7.830 7.741 0.089 1
1 511 . 11 1 1 A 41 41 VAL HA H 41 3.250 3.470 -0.220 1
1 519 . 11 1 1 A 41 41 VAL C C 41 177.500 178.028 -0.528 1
1 520 . 11 1 1 A 41 41 VAL CA C 41 67.500 66.747 0.753 1
1 521 . 11 1 1 A 41 41 VAL CB C 41 30.800 31.579 -0.779 1
1 524 . 11 1 1 A 41 41 VAL N N 41 119.400 121.981 -2.581 1
1 525 . 11 1 1 A 42 42 THR H H 42 8.270 7.844 0.426 1
1 526 . 11 1 1 A 42 42 THR HA H 42 3.520 4.016 -0.496 1
1 531 . 11 1 1 A 42 42 THR C C 42 176.200 176.537 -0.337 1
1 532 . 11 1 1 A 42 42 THR CA C 42 67.800 65.963 1.837 1
1 533 . 11 1 1 A 42 42 THR CB C 42 67.800 67.974 -0.174 1
1 535 . 11 1 1 A 42 42 THR N N 42 113.600 111.529 2.071 1
1 536 . 11 1 1 A 43 43 HIS H H 43 8.250 8.335 -0.085 1
1 537 . 11 1 1 A 43 43 HIS HA H 43 4.310 4.344 -0.034 1
1 542 . 11 1 1 A 43 43 HIS C C 43 177.200 176.713 0.487 1
1 543 . 11 1 1 A 43 43 HIS CA C 43 59.300 58.356 0.944 1
1 544 . 11 1 1 A 43 43 HIS CB C 43 28.900 28.445 0.455 1
1 547 . 11 1 1 A 43 43 HIS N N 43 120.000 121.767 -1.767 1
1 550 . 11 1 1 A 44 44 LEU H H 44 8.070 7.254 0.816 1
1 551 . 11 1 1 A 44 44 LEU HA H 44 3.960 3.715 0.245 1
1 561 . 11 1 1 A 44 44 LEU C C 44 179.300 179.121 0.179 1
1 562 . 11 1 1 A 44 44 LEU CA C 44 58.400 57.107 1.293 1
1 563 . 11 1 1 A 44 44 LEU CB C 44 42.200 41.619 0.581 1
1 567 . 11 1 1 A 44 44 LEU N N 44 119.400 120.345 -0.945 1
1 568 . 11 1 1 A 45 45 LEU H H 45 8.410 7.915 0.495 1
1 569 . 11 1 1 A 45 45 LEU HA H 45 3.850 3.731 0.119 1
1 579 . 11 1 1 A 45 45 LEU C C 45 178.700 179.608 -0.908 1
1 580 . 11 1 1 A 45 45 LEU CA C 45 58.200 58.092 0.108 1
1 581 . 11 1 1 A 45 45 LEU CB C 45 41.800 41.632 0.168 1
1 585 . 11 1 1 A 45 45 LEU N N 45 118.100 118.961 -0.861 1
1 586 . 11 1 1 A 46 46 GLU H H 46 8.120 8.474 -0.354 1
1 587 . 11 1 1 A 46 46 GLU HA H 46 3.740 4.089 -0.349 1
1 592 . 11 1 1 A 46 46 GLU C C 46 178.000 178.562 -0.562 1
1 593 . 11 1 1 A 46 46 GLU CA C 46 58.900 59.337 -0.437 1
1 594 . 11 1 1 A 46 46 GLU CB C 46 29.700 29.220 0.480 1
1 596 . 11 1 1 A 46 46 GLU N N 46 115.000 116.754 -1.754 1
1 597 . 11 1 1 A 47 47 ARG H H 47 7.740 7.941 -0.201 1
1 598 . 11 1 1 A 47 47 ARG HA H 47 4.270 4.130 0.140 1
1 606 . 11 1 1 A 47 47 ARG C C 47 178.500 177.519 0.981 1
1 607 . 11 1 1 A 47 47 ARG CA C 47 57.000 58.070 -1.070 1
1 608 . 11 1 1 A 47 47 ARG CB C 47 31.600 30.358 1.242 1
1 611 . 11 1 1 A 47 47 ARG N N 47 114.000 120.759 -6.759 1
1 613 . 11 1 1 A 48 48 LYS H H 48 8.210 7.691 0.519 1
1 614 . 11 1 1 A 48 48 LYS HA H 48 4.620 4.384 0.236 1
1 623 . 11 1 1 A 48 48 LYS C C 48 176.400 176.325 0.075 1
1 624 . 11 1 1 A 48 48 LYS CA C 48 55.500 56.949 -1.449 1
1 625 . 11 1 1 A 48 48 LYS CB C 48 34.500 34.205 0.295 1
1 629 . 11 1 1 A 48 48 LYS N N 48 114.000 116.702 -2.702 1
1 630 . 11 1 1 A 49 49 VAL H H 49 7.630 7.900 -0.270 1
1 631 . 11 1 1 A 49 49 VAL HA H 49 4.710 4.297 0.413 1
1 639 . 11 1 1 A 49 49 VAL CA C 49 59.400 58.644 0.756 1
1 640 . 11 1 1 A 49 49 VAL CB C 49 33.600 33.042 0.558 1
1 643 . 11 1 1 A 49 49 VAL N N 49 121.800 118.923 2.877 1
1 644 . 11 1 1 A 50 50 PRO HA H 50 4.460 4.516 -0.056 1
1 651 . 11 1 1 A 50 50 PRO C C 50 177.900 177.944 -0.044 1
1 652 . 11 1 1 A 50 50 PRO CA C 50 63.200 62.764 0.436 1
1 653 . 11 1 1 A 50 50 PRO CB C 50 32.900 32.613 0.287 1
1 656 . 11 1 1 A 51 51 SER H H 51 8.950 8.743 0.207 1
1 657 . 11 1 1 A 51 51 SER HA H 51 3.910 4.175 -0.265 1
1 660 . 11 1 1 A 51 51 SER C C 51 176.300 176.832 -0.532 1
1 661 . 11 1 1 A 51 51 SER CA C 51 62.800 61.458 1.342 1
1 662 . 11 1 1 A 51 51 SER CB C 51 62.700 62.751 -0.051 1
1 663 . 11 1 1 A 51 51 SER N N 51 119.000 118.705 0.295 1
1 664 . 11 1 1 A 52 52 GLU H H 52 9.480 7.834 1.646 1
1 665 . 11 1 1 A 52 52 GLU HA H 52 4.220 4.098 0.122 1
1 670 . 11 1 1 A 52 52 GLU C C 52 177.000 178.854 -1.854 1
1 671 . 11 1 1 A 52 52 GLU CA C 52 59.200 59.074 0.126 1
1 672 . 11 1 1 A 52 52 GLU CB C 52 28.700 29.895 -1.195 1
1 674 . 11 1 1 A 52 52 GLU N N 52 118.900 122.108 -3.208 1
1 675 . 11 1 1 A 53 53 SER H H 53 7.770 8.339 -0.569 1
1 676 . 11 1 1 A 53 53 SER HA H 53 4.940 4.239 0.701 1
1 679 . 11 1 1 A 53 53 SER C C 53 174.200 176.083 -1.883 1
1 680 . 11 1 1 A 53 53 SER CA C 53 58.200 61.431 -3.231 1
1 681 . 11 1 1 A 53 53 SER CB C 53 64.800 63.096 1.704 1
1 682 . 11 1 1 A 53 53 SER N N 53 112.500 117.653 -5.153 1
1 683 . 11 1 1 A 54 54 ARG H H 54 7.380 8.301 -0.921 1
1 684 . 11 1 1 A 54 54 ARG HA H 54 3.630 3.873 -0.243 1
1 696 . 11 1 1 A 54 54 ARG C C 54 177.200 178.390 -1.190 1
1 697 . 11 1 1 A 54 54 ARG CA C 54 61.400 59.551 1.849 1
1 698 . 11 1 1 A 54 54 ARG CB C 54 31.200 29.717 1.483 1
1 701 . 11 1 1 A 54 54 ARG N N 54 122.100 121.737 0.363 1
1 703 . 11 1 1 A 55 55 GLN H H 55 9.010 7.698 1.312 1
1 704 . 11 1 1 A 55 55 GLN HA H 55 3.840 4.042 -0.202 1
1 711 . 11 1 1 A 55 55 GLN C C 55 178.000 178.850 -0.850 1
1 712 . 11 1 1 A 55 55 GLN CA C 55 59.700 58.701 0.999 1
1 713 . 11 1 1 A 55 55 GLN CB C 55 28.100 28.483 -0.383 1
1 716 . 11 1 1 A 55 55 GLN N N 55 118.000 118.563 -0.563 1
1 718 . 11 1 1 A 56 56 ALA H H 56 8.280 7.628 0.652 1
1 719 . 11 1 1 A 56 56 ALA HA H 56 4.190 4.105 0.085 1
1 723 . 11 1 1 A 56 56 ALA C C 56 181.200 179.749 1.451 1
1 724 . 11 1 1 A 56 56 ALA CA C 56 55.200 55.122 0.078 1
1 725 . 11 1 1 A 56 56 ALA CB C 56 17.900 18.354 -0.454 1
1 726 . 11 1 1 A 56 56 ALA N N 56 122.300 122.803 -0.503 1
1 727 . 11 1 1 A 57 57 VAL H H 57 8.150 8.127 0.023 1
1 728 . 11 1 1 A 57 57 VAL HA H 57 3.740 3.514 0.226 1
1 736 . 11 1 1 A 57 57 VAL C C 57 178.900 178.208 0.692 1
1 737 . 11 1 1 A 57 57 VAL CA C 57 66.700 66.617 0.083 1
1 738 . 11 1 1 A 57 57 VAL CB C 57 31.700 31.498 0.202 1
1 741 . 11 1 1 A 57 57 VAL N N 57 119.600 118.479 1.121 1
1 742 . 11 1 1 A 58 58 ALA H H 58 8.370 8.063 0.307 1
1 743 . 11 1 1 A 58 58 ALA HA H 58 3.910 4.016 -0.106 1
1 747 . 11 1 1 A 58 58 ALA C C 58 179.500 178.894 0.606 1
1 748 . 11 1 1 A 58 58 ALA CA C 58 55.800 55.698 0.102 1
1 749 . 11 1 1 A 58 58 ALA CB C 58 18.500 18.040 0.460 1
1 750 . 11 1 1 A 58 58 ALA N N 58 123.000 121.846 1.154 1
1 751 . 11 1 1 A 59 59 GLU H H 59 8.630 8.162 0.468 1
1 752 . 11 1 1 A 59 59 GLU HA H 59 4.100 4.064 0.036 1
1 757 . 11 1 1 A 59 59 GLU C C 59 179.400 179.353 0.047 1
1 758 . 11 1 1 A 59 59 GLU CA C 59 59.600 59.660 -0.060 1
1 759 . 11 1 1 A 59 59 GLU CB C 59 29.300 29.176 0.124 1
1 761 . 11 1 1 A 59 59 GLU N N 59 118.400 118.212 0.188 1
1 762 . 11 1 1 A 60 60 GLN H H 60 8.280 8.064 0.216 1
1 763 . 11 1 1 A 60 60 GLN HA H 60 4.090 4.093 -0.003 1
1 770 . 11 1 1 A 60 60 GLN C C 60 178.700 178.113 0.587 1
1 771 . 11 1 1 A 60 60 GLN CA C 60 59.100 58.699 0.401 1
1 772 . 11 1 1 A 60 60 GLN CB C 60 28.100 28.925 -0.825 1
1 775 . 11 1 1 A 60 60 GLN N N 60 120.400 118.543 1.857 1
1 777 . 11 1 1 A 61 61 PHE H H 61 8.400 8.762 -0.362 1
1 778 . 11 1 1 A 61 61 PHE HA H 61 4.160 4.239 -0.079 1
1 786 . 11 1 1 A 61 61 PHE C C 61 177.600 177.598 0.002 1
1 787 . 11 1 1 A 61 61 PHE CA C 61 61.400 61.553 -0.153 1
1 788 . 11 1 1 A 61 61 PHE CB C 61 39.100 39.077 0.023 1
1 794 . 11 1 1 A 61 61 PHE N N 61 122.000 122.346 -0.346 1
1 795 . 11 1 1 A 62 62 ALA H H 62 8.620 8.728 -0.108 1
1 796 . 11 1 1 A 62 62 ALA HA H 62 3.980 4.173 -0.193 1
1 800 . 11 1 1 A 62 62 ALA C C 62 179.700 179.907 -0.207 1
1 801 . 11 1 1 A 62 62 ALA CA C 62 55.500 55.094 0.406 1
1 802 . 11 1 1 A 62 62 ALA CB C 62 18.900 18.329 0.571 1
1 803 . 11 1 1 A 62 62 ALA N N 62 122.000 120.867 1.133 1
1 804 . 11 1 1 A 63 63 LYS H H 63 8.470 7.838 0.632 1
1 805 . 11 1 1 A 63 63 LYS HA H 63 4.050 3.955 0.095 1
1 814 . 11 1 1 A 63 63 LYS C C 63 179.200 178.317 0.883 1
1 815 . 11 1 1 A 63 63 LYS CA C 63 59.600 59.253 0.347 1
1 816 . 11 1 1 A 63 63 LYS CB C 63 32.600 32.434 0.166 1
1 820 . 11 1 1 A 63 63 LYS N N 63 119.500 118.549 0.951 1
1 821 . 11 1 1 A 64 64 ALA H H 64 8.000 7.872 0.128 1
1 822 . 11 1 1 A 64 64 ALA HA H 64 4.100 4.001 0.099 1
1 826 . 11 1 1 A 64 64 ALA C C 64 180.700 180.093 0.607 1
1 827 . 11 1 1 A 64 64 ALA CA C 64 55.000 54.913 0.087 1
1 828 . 11 1 1 A 64 64 ALA CB C 64 17.700 18.035 -0.335 1
1 829 . 11 1 1 A 64 64 ALA N N 64 122.000 121.099 0.901 1
1 830 . 11 1 1 A 65 65 LEU H H 65 7.830 8.152 -0.322 1
1 831 . 11 1 1 A 65 65 LEU HA H 65 3.950 3.884 0.066 1
1 841 . 11 1 1 A 65 65 LEU C C 65 178.900 178.144 0.756 1
1 842 . 11 1 1 A 65 65 LEU CA C 65 57.800 57.708 0.092 1
1 843 . 11 1 1 A 65 65 LEU CB C 65 41.700 41.721 -0.021 1
1 847 . 11 1 1 A 65 65 LEU N N 65 120.600 120.278 0.322 1
1 848 . 11 1 1 A 66 66 ALA H H 66 7.990 8.618 -0.628 1
1 849 . 11 1 1 A 66 66 ALA HA H 66 3.840 3.934 -0.094 1
1 853 . 11 1 1 A 66 66 ALA C C 66 180.300 178.960 1.340 1
1 854 . 11 1 1 A 66 66 ALA CA C 66 55.500 55.209 0.291 1
1 855 . 11 1 1 A 66 66 ALA CB C 66 17.900 18.119 -0.219 1
1 856 . 11 1 1 A 66 66 ALA N N 66 120.900 120.752 0.148 1
1 857 . 11 1 1 A 67 67 GLN H H 67 8.140 8.231 -0.091 1
1 858 . 11 1 1 A 67 67 GLN HA H 67 4.070 3.972 0.098 1
1 865 . 11 1 1 A 67 67 GLN C C 67 178.400 178.061 0.339 1
1 866 . 11 1 1 A 67 67 GLN CA C 67 58.300 59.038 -0.738 1
1 867 . 11 1 1 A 67 67 GLN CB C 67 28.400 28.505 -0.105 1
1 870 . 11 1 1 A 67 67 GLN N N 67 116.600 118.791 -2.191 1
1 872 . 11 1 1 A 68 68 SER H H 68 8.120 7.926 0.194 1
1 873 . 11 1 1 A 68 68 SER HA H 68 4.220 4.197 0.023 1
1 876 . 11 1 1 A 68 68 SER C C 68 176.500 176.765 -0.265 1
1 877 . 11 1 1 A 68 68 SER CA C 68 61.500 62.577 -1.077 1
1 878 . 11 1 1 A 68 68 SER CB C 68 63.000 62.953 0.047 1
1 879 . 11 1 1 A 68 68 SER N N 68 116.700 116.955 -0.255 1
1 880 . 11 1 1 A 69 69 VAL H H 69 7.660 7.700 -0.040 1
1 881 . 11 1 1 A 69 69 VAL HA H 69 3.860 3.462 0.398 1
1 889 . 11 1 1 A 69 69 VAL C C 69 177.400 177.847 -0.447 1
1 890 . 11 1 1 A 69 69 VAL CA C 69 64.900 67.133 -2.233 1
1 891 . 11 1 1 A 69 69 VAL CB C 69 31.900 31.512 0.388 1
1 894 . 11 1 1 A 69 69 VAL N N 69 119.800 121.587 -1.787 1
1 895 . 11 1 1 A 70 70 LYS H H 70 7.860 8.165 -0.305 1
1 896 . 11 1 1 A 70 70 LYS HA H 70 4.040 3.935 0.105 1
1 905 . 11 1 1 A 70 70 LYS C C 70 178.400 179.940 -1.540 1
1 906 . 11 1 1 A 70 70 LYS CA C 70 59.200 59.536 -0.336 1
1 907 . 11 1 1 A 70 70 LYS CB C 70 32.800 31.950 0.850 1
1 911 . 11 1 1 A 70 70 LYS N N 70 121.300 119.512 1.788 1
1 912 . 11 1 1 A 71 71 SER H H 71 8.390 7.731 0.659 1
1 913 . 11 1 1 A 71 71 SER HA H 71 4.280 4.208 0.072 1
1 916 . 11 1 1 A 71 71 SER C C 71 176.000 176.001 -0.001 1
1 917 . 11 1 1 A 71 71 SER CA C 71 60.700 60.962 -0.262 1
1 918 . 11 1 1 A 71 71 SER CB C 71 63.300 63.213 0.087 1
1 919 . 11 1 1 A 71 71 SER N N 71 114.400 114.538 -0.138 1
1 920 . 11 1 1 A 72 72 ASN H H 72 7.940 7.867 0.073 1
1 921 . 11 1 1 A 72 72 ASN HA H 72 4.630 4.742 -0.112 1
1 926 . 11 1 1 A 72 72 ASN C C 72 176.700 177.975 -1.275 1
1 927 . 11 1 1 A 72 72 ASN CA C 72 55.000 55.766 -0.766 1
1 928 . 11 1 1 A 72 72 ASN CB C 72 39.000 39.059 -0.059 1
1 930 . 11 1 1 A 72 72 ASN N N 72 119.700 119.250 0.450 1
1 932 . 11 1 1 A 73 73 LEU H H 73 7.900 7.755 0.145 1
1 933 . 11 1 1 A 73 73 LEU HA H 73 4.180 4.099 0.081 1
1 943 . 11 1 1 A 73 73 LEU C C 73 178.400 177.350 1.050 1
1 944 . 11 1 1 A 73 73 LEU CA C 73 56.700 56.865 -0.165 1
1 945 . 11 1 1 A 73 73 LEU CB C 73 42.300 42.147 0.153 1
1 949 . 11 1 1 A 73 73 LEU N N 73 121.000 121.005 -0.005 1
1 950 . 11 1 1 A 74 74 GLU H H 74 8.060 8.324 -0.264 1
1 951 . 11 1 1 A 74 74 GLU HA H 74 4.120 4.417 -0.297 1
1 956 . 11 1 1 A 74 74 GLU C C 74 177.100 176.830 0.270 1
1 957 . 11 1 1 A 74 74 GLU CA C 74 57.400 55.412 1.988 1
1 958 . 11 1 1 A 74 74 GLU CB C 74 29.900 27.623 2.277 1
1 960 . 11 1 1 A 74 74 GLU N N 74 119.300 118.001 1.299 1
1 961 . 11 1 1 A 75 75 HIS H H 75 8.140 7.534 0.606 1
1 962 . 11 1 1 A 75 75 HIS HA H 75 4.590 4.494 0.096 1
1 966 . 11 1 1 A 75 75 HIS C C 75 174.900 174.850 0.050 1
1 967 . 11 1 1 A 75 75 HIS CA C 75 56.100 56.104 -0.004 1
1 968 . 11 1 1 A 75 75 HIS CB C 75 29.000 30.163 -1.163 1
1 970 . 11 1 1 A 75 75 HIS N N 75 117.500 118.147 -0.647 1
1 971 . 11 1 1 A 76 76 HIS H H 76 8.240 7.641 0.599 1
1 972 . 11 1 1 A 76 76 HIS C C 76 174.500 175.334 -0.834 1
1 973 . 11 1 1 A 76 76 HIS CA C 76 55.900 54.878 1.022 1
1 974 . 11 1 1 A 76 76 HIS CB C 76 29.300 30.110 -0.810 1
1 975 . 11 1 1 A 76 76 HIS N N 76 118.300 119.795 -1.495 1
1 976 . 11 1 1 A 77 77 HIS H H 77 8.400 8.863 -0.463 1
1 977 . 11 1 1 A 77 77 HIS HA H 77 4.640 4.622 0.018 1
1 980 . 11 1 1 A 77 77 HIS C C 77 173.700 174.650 -0.950 1
1 981 . 11 1 1 A 77 77 HIS CA C 77 55.700 55.462 0.238 1
1 982 . 11 1 1 A 77 77 HIS CB C 77 29.700 30.200 -0.500 1
1 983 . 11 1 1 A 77 77 HIS N N 77 119.300 126.255 -6.955 1
1 984 . 11 1 1 A 78 78 HIS H H 78 8.330 7.304 1.026 1
1 985 . 11 1 1 A 78 78 HIS CA C 78 57.200 54.606 2.594 1
1 986 . 11 1 1 A 78 78 HIS CB C 78 29.900 33.527 -3.627 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 4.140 4.500 -0.360 1
1 5 . 12 1 1 A 2 2 ALA C C 2 173.800 177.506 -3.706 1
1 6 . 12 1 1 A 2 2 ALA CA C 2 51.800 52.942 -1.142 1
1 7 . 12 1 1 A 2 2 ALA CB C 2 19.600 21.338 -1.738 1
1 8 . 12 1 1 A 3 3 ILE H H 3 8.540 7.508 1.032 1
1 9 . 12 1 1 A 3 3 ILE HA H 3 4.190 4.317 -0.127 1
1 19 . 12 1 1 A 3 3 ILE C C 3 176.000 175.346 0.654 1
1 20 . 12 1 1 A 3 3 ILE CA C 3 61.300 60.145 1.155 1
1 21 . 12 1 1 A 3 3 ILE CB C 3 38.800 39.866 -1.066 1
1 25 . 12 1 1 A 3 3 ILE N N 3 120.500 116.144 4.356 1
1 26 . 12 1 1 A 4 4 GLN H H 4 8.570 8.302 0.268 1
1 27 . 12 1 1 A 4 4 GLN HA H 4 4.400 4.903 -0.503 1
1 34 . 12 1 1 A 4 4 GLN C C 4 175.700 175.375 0.325 1
1 35 . 12 1 1 A 4 4 GLN CA C 4 55.800 54.267 1.533 1
1 36 . 12 1 1 A 4 4 GLN CB C 4 29.600 31.261 -1.661 1
1 39 . 12 1 1 A 4 4 GLN N N 4 125.100 121.604 3.496 1
1 41 . 12 1 1 A 5 5 SER H H 5 8.440 8.818 -0.378 1
1 42 . 12 1 1 A 5 5 SER HA H 5 4.420 4.592 -0.172 1
1 45 . 12 1 1 A 5 5 SER C C 5 174.300 173.193 1.107 1
1 46 . 12 1 1 A 5 5 SER CA C 5 58.200 59.089 -0.889 1
1 47 . 12 1 1 A 5 5 SER CB C 5 64.000 63.578 0.422 1
1 48 . 12 1 1 A 5 5 SER N N 5 118.100 116.750 1.350 1
1 49 . 12 1 1 A 6 6 LYS H H 6 8.320 8.130 0.190 1
1 50 . 12 1 1 A 6 6 LYS HA H 6 4.110 4.252 -0.142 1
1 59 . 12 1 1 A 6 6 LYS C C 6 176.000 175.886 0.114 1
1 60 . 12 1 1 A 6 6 LYS CA C 6 57.200 55.961 1.239 1
1 61 . 12 1 1 A 6 6 LYS CB C 6 33.100 31.531 1.569 1
1 65 . 12 1 1 A 6 6 LYS N N 6 123.600 119.698 3.902 1
1 66 . 12 1 1 A 7 7 TYR H H 7 8.000 7.914 0.086 1
1 67 . 12 1 1 A 7 7 TYR HA H 7 4.800 4.333 0.467 1
1 74 . 12 1 1 A 7 7 TYR C C 7 175.800 174.808 0.992 1
1 75 . 12 1 1 A 7 7 TYR CA C 7 57.000 60.423 -3.423 1
1 76 . 12 1 1 A 7 7 TYR CB C 7 39.900 37.128 2.772 1
1 81 . 12 1 1 A 7 7 TYR N N 7 118.900 120.864 -1.964 1
1 82 . 12 1 1 A 8 8 SER H H 8 8.770 8.479 0.291 1
1 83 . 12 1 1 A 8 8 SER HA H 8 4.510 4.775 -0.265 1
1 86 . 12 1 1 A 8 8 SER C C 8 175.000 175.761 -0.761 1
1 87 . 12 1 1 A 8 8 SER CA C 8 57.500 56.457 1.043 1
1 88 . 12 1 1 A 8 8 SER CB C 8 64.700 64.987 -0.287 1
1 89 . 12 1 1 A 8 8 SER N N 8 118.600 118.369 0.231 1
1 90 . 12 1 1 A 9 9 ASN H H 9 8.910 9.128 -0.218 1
1 91 . 12 1 1 A 9 9 ASN HA H 9 4.540 4.482 0.058 1
1 96 . 12 1 1 A 9 9 ASN C C 9 177.200 177.664 -0.464 1
1 97 . 12 1 1 A 9 9 ASN CA C 9 55.900 56.402 -0.502 1
1 98 . 12 1 1 A 9 9 ASN CB C 9 38.200 38.012 0.188 1
1 100 . 12 1 1 A 9 9 ASN N N 9 121.400 126.936 -5.536 1
1 102 . 12 1 1 A 10 10 THR H H 10 8.180 7.458 0.722 1
1 103 . 12 1 1 A 10 10 THR HA H 10 4.070 3.942 0.128 1
1 108 . 12 1 1 A 10 10 THR C C 10 176.600 176.184 0.416 1
1 109 . 12 1 1 A 10 10 THR CA C 10 65.300 66.999 -1.699 1
1 110 . 12 1 1 A 10 10 THR CB C 10 68.800 68.241 0.559 1
1 112 . 12 1 1 A 10 10 THR N N 10 113.500 117.874 -4.374 1
1 113 . 12 1 1 A 11 11 GLN H H 11 7.950 7.808 0.142 1
1 114 . 12 1 1 A 11 11 GLN HA H 11 4.160 4.000 0.160 1
1 121 . 12 1 1 A 11 11 GLN C C 11 178.400 178.062 0.338 1
1 122 . 12 1 1 A 11 11 GLN CA C 11 59.000 58.896 0.104 1
1 123 . 12 1 1 A 11 11 GLN CB C 11 29.200 28.823 0.377 1
1 126 . 12 1 1 A 11 11 GLN N N 11 122.500 121.427 1.073 1
1 128 . 12 1 1 A 12 12 VAL H H 12 7.850 8.108 -0.258 1
1 129 . 12 1 1 A 12 12 VAL HA H 12 3.540 3.515 0.025 1
1 137 . 12 1 1 A 12 12 VAL C C 12 177.400 177.938 -0.538 1
1 138 . 12 1 1 A 12 12 VAL CA C 12 66.400 66.980 -0.580 1
1 139 . 12 1 1 A 12 12 VAL CB C 12 32.300 31.494 0.806 1
1 142 . 12 1 1 A 12 12 VAL N N 12 119.000 119.470 -0.470 1
1 143 . 12 1 1 A 13 13 GLU H H 13 8.550 8.325 0.225 1
1 144 . 12 1 1 A 13 13 GLU HA H 13 3.910 3.919 -0.009 1
1 149 . 12 1 1 A 13 13 GLU C C 13 179.500 178.988 0.512 1
1 150 . 12 1 1 A 13 13 GLU CA C 13 59.700 59.970 -0.270 1
1 151 . 12 1 1 A 13 13 GLU CB C 13 29.100 29.643 -0.543 1
1 153 . 12 1 1 A 13 13 GLU N N 13 118.300 120.573 -2.273 1
1 154 . 12 1 1 A 14 14 SER H H 14 8.080 8.084 -0.004 1
1 155 . 12 1 1 A 14 14 SER HA H 14 4.260 4.132 0.128 1
1 158 . 12 1 1 A 14 14 SER C C 14 176.200 176.266 -0.066 1
1 159 . 12 1 1 A 14 14 SER CA C 14 61.700 61.731 -0.031 1
1 160 . 12 1 1 A 14 14 SER CB C 14 62.800 62.846 -0.046 1
1 161 . 12 1 1 A 14 14 SER N N 14 114.600 117.047 -2.447 1
1 162 . 12 1 1 A 15 15 LEU H H 15 7.110 8.320 -1.210 1
1 163 . 12 1 1 A 15 15 LEU HA H 15 3.690 4.045 -0.355 1
1 173 . 12 1 1 A 15 15 LEU C C 15 177.800 178.793 -0.993 1
1 174 . 12 1 1 A 15 15 LEU CA C 15 57.700 58.426 -0.726 1
1 175 . 12 1 1 A 15 15 LEU CB C 15 42.300 41.565 0.735 1
1 179 . 12 1 1 A 15 15 LEU N N 15 122.200 123.070 -0.870 1
1 180 . 12 1 1 A 16 16 ILE H H 16 8.030 8.614 -0.584 1
1 181 . 12 1 1 A 16 16 ILE HA H 16 3.220 3.622 -0.402 1
1 191 . 12 1 1 A 16 16 ILE C C 16 177.200 177.648 -0.448 1
1 192 . 12 1 1 A 16 16 ILE CA C 16 66.000 65.876 0.124 1
1 193 . 12 1 1 A 16 16 ILE CB C 16 39.100 37.638 1.462 1
1 197 . 12 1 1 A 16 16 ILE N N 16 117.900 120.534 -2.634 1
1 198 . 12 1 1 A 17 17 ALA H H 17 7.960 8.375 -0.415 1
1 199 . 12 1 1 A 17 17 ALA HA H 17 3.930 3.968 -0.038 1
1 203 . 12 1 1 A 17 17 ALA C C 17 180.600 179.467 1.133 1
1 204 . 12 1 1 A 17 17 ALA CA C 17 55.400 55.827 -0.427 1
1 205 . 12 1 1 A 17 17 ALA CB C 17 18.000 18.581 -0.581 1
1 206 . 12 1 1 A 17 17 ALA N N 17 118.300 121.445 -3.145 1
1 207 . 12 1 1 A 18 18 GLU H H 18 7.630 7.950 -0.320 1
1 208 . 12 1 1 A 18 18 GLU HA H 18 4.030 4.116 -0.086 1
1 213 . 12 1 1 A 18 18 GLU C C 18 179.400 179.200 0.200 1
1 214 . 12 1 1 A 18 18 GLU CA C 18 59.800 58.950 0.850 1
1 215 . 12 1 1 A 18 18 GLU CB C 18 30.300 29.449 0.851 1
1 217 . 12 1 1 A 18 18 GLU N N 18 116.300 118.848 -2.548 1
1 218 . 12 1 1 A 19 19 ILE H H 19 8.110 7.847 0.263 1
1 219 . 12 1 1 A 19 19 ILE HA H 19 3.590 3.663 -0.073 1
1 229 . 12 1 1 A 19 19 ILE C C 19 177.800 178.700 -0.900 1
1 230 . 12 1 1 A 19 19 ILE CA C 19 66.500 65.583 0.917 1
1 231 . 12 1 1 A 19 19 ILE CB C 19 37.500 37.663 -0.163 1
1 235 . 12 1 1 A 19 19 ILE N N 19 121.100 120.301 0.799 1
1 236 . 12 1 1 A 20 20 LEU H H 20 8.480 8.115 0.365 1
1 237 . 12 1 1 A 20 20 LEU HA H 20 4.020 4.105 -0.085 1
1 247 . 12 1 1 A 20 20 LEU C C 20 180.500 179.212 1.288 1
1 248 . 12 1 1 A 20 20 LEU CA C 20 58.600 57.930 0.670 1
1 249 . 12 1 1 A 20 20 LEU CB C 20 40.400 41.392 -0.992 1
1 253 . 12 1 1 A 20 20 LEU N N 20 118.300 119.092 -0.792 1
1 254 . 12 1 1 A 21 21 VAL H H 21 7.810 8.333 -0.523 1
1 255 . 12 1 1 A 21 21 VAL HA H 21 3.770 3.612 0.158 1
1 263 . 12 1 1 A 21 21 VAL C C 21 178.200 178.348 -0.148 1
1 264 . 12 1 1 A 21 21 VAL CA C 21 66.800 66.419 0.381 1
1 265 . 12 1 1 A 21 21 VAL CB C 21 31.600 31.610 -0.010 1
1 268 . 12 1 1 A 21 21 VAL N N 21 119.700 119.790 -0.090 1
1 269 . 12 1 1 A 22 22 VAL H H 22 7.530 7.954 -0.424 1
1 270 . 12 1 1 A 22 22 VAL HA H 22 3.610 3.546 0.064 1
1 278 . 12 1 1 A 22 22 VAL C C 22 178.500 177.896 0.604 1
1 279 . 12 1 1 A 22 22 VAL CA C 22 67.300 67.085 0.215 1
1 280 . 12 1 1 A 22 22 VAL CB C 22 31.500 31.606 -0.106 1
1 283 . 12 1 1 A 22 22 VAL N N 22 121.400 120.687 0.713 1
1 284 . 12 1 1 A 23 23 LEU H H 23 7.610 7.962 -0.352 1
1 285 . 12 1 1 A 23 23 LEU HA H 23 3.880 3.906 -0.026 1
1 295 . 12 1 1 A 23 23 LEU C C 23 179.700 179.600 0.100 1
1 296 . 12 1 1 A 23 23 LEU CA C 23 58.400 58.341 0.059 1
1 297 . 12 1 1 A 23 23 LEU CB C 23 40.900 41.014 -0.114 1
1 301 . 12 1 1 A 23 23 LEU N N 23 116.800 118.835 -2.035 1
1 302 . 12 1 1 A 24 24 GLU H H 24 8.160 8.286 -0.126 1
1 303 . 12 1 1 A 24 24 GLU HA H 24 4.170 4.003 0.167 1
1 308 . 12 1 1 A 24 24 GLU C C 24 180.900 178.791 2.109 1
1 309 . 12 1 1 A 24 24 GLU CA C 24 59.000 59.389 -0.389 1
1 310 . 12 1 1 A 24 24 GLU CB C 24 29.700 29.354 0.346 1
1 312 . 12 1 1 A 24 24 GLU N N 24 119.200 119.804 -0.604 1
1 313 . 12 1 1 A 25 25 LYS H H 25 8.980 8.050 0.930 1
1 314 . 12 1 1 A 25 25 LYS HA H 25 4.050 4.022 0.028 1
1 323 . 12 1 1 A 25 25 LYS C C 25 178.600 178.217 0.383 1
1 324 . 12 1 1 A 25 25 LYS CA C 25 59.300 58.861 0.439 1
1 325 . 12 1 1 A 25 25 LYS CB C 25 32.100 32.074 0.026 1
1 329 . 12 1 1 A 25 25 LYS N N 25 122.900 119.624 3.276 1
1 330 . 12 1 1 A 26 26 HIS H H 26 7.400 7.459 -0.059 1
1 331 . 12 1 1 A 26 26 HIS HA H 26 4.460 4.603 -0.143 1
1 336 . 12 1 1 A 26 26 HIS C C 26 173.600 174.460 -0.860 1
1 337 . 12 1 1 A 26 26 HIS CA C 26 56.500 55.472 1.028 1
1 338 . 12 1 1 A 26 26 HIS CB C 26 29.200 30.050 -0.850 1
1 341 . 12 1 1 A 26 26 HIS N N 26 113.800 113.653 0.147 1
1 342 . 12 1 1 A 27 27 LYS H H 27 8.200 8.016 0.184 1
1 343 . 12 1 1 A 27 27 LYS HA H 27 3.950 3.888 0.062 1
1 352 . 12 1 1 A 27 27 LYS C C 27 176.500 175.112 1.388 1
1 353 . 12 1 1 A 27 27 LYS CA C 27 56.600 57.181 -0.581 1
1 354 . 12 1 1 A 27 27 LYS CB C 27 29.600 30.947 -1.347 1
1 358 . 12 1 1 A 27 27 LYS N N 27 119.500 119.233 0.267 1
1 359 . 12 1 1 A 28 28 ALA H H 28 7.760 7.691 0.069 1
1 360 . 12 1 1 A 28 28 ALA HA H 28 4.490 4.748 -0.258 1
1 364 . 12 1 1 A 28 28 ALA CA C 28 51.000 49.119 1.881 1
1 365 . 12 1 1 A 28 28 ALA CB C 28 19.200 20.946 -1.746 1
1 366 . 12 1 1 A 28 28 ALA N N 28 121.500 119.995 1.505 1
1 367 . 12 1 1 A 29 29 PRO HA H 29 4.720 4.523 0.197 1
1 374 . 12 1 1 A 29 29 PRO C C 29 177.400 177.506 -0.106 1
1 375 . 12 1 1 A 29 29 PRO CA C 29 62.100 62.724 -0.624 1
1 376 . 12 1 1 A 29 29 PRO CB C 29 33.000 32.816 0.184 1
1 379 . 12 1 1 A 30 30 THR H H 30 8.830 8.400 0.430 1
1 380 . 12 1 1 A 30 30 THR HA H 30 3.680 3.939 -0.259 1
1 385 . 12 1 1 A 30 30 THR C C 30 175.200 175.786 -0.586 1
1 386 . 12 1 1 A 30 30 THR CA C 30 67.400 65.602 1.798 1
1 387 . 12 1 1 A 30 30 THR CB C 30 68.500 68.464 0.036 1
1 389 . 12 1 1 A 30 30 THR N N 30 120.400 117.822 2.578 1
1 390 . 12 1 1 A 31 31 ASP H H 31 8.880 8.296 0.584 1
1 391 . 12 1 1 A 31 31 ASP HA H 31 4.220 4.266 -0.046 1
1 394 . 12 1 1 A 31 31 ASP C C 31 179.000 178.565 0.435 1
1 395 . 12 1 1 A 31 31 ASP CA C 31 57.400 57.630 -0.230 1
1 396 . 12 1 1 A 31 31 ASP CB C 31 38.700 41.722 -3.022 1
1 397 . 12 1 1 A 31 31 ASP N N 31 118.600 121.085 -2.485 1
1 398 . 12 1 1 A 32 32 LEU H H 32 7.540 7.810 -0.270 1
1 399 . 12 1 1 A 32 32 LEU HA H 32 3.970 4.123 -0.153 1
1 409 . 12 1 1 A 32 32 LEU C C 32 178.100 178.959 -0.859 1
1 410 . 12 1 1 A 32 32 LEU CA C 32 57.500 57.217 0.283 1
1 411 . 12 1 1 A 32 32 LEU CB C 32 40.600 41.245 -0.645 1
1 415 . 12 1 1 A 32 32 LEU N N 32 124.300 120.994 3.306 1
1 416 . 12 1 1 A 33 33 SER H H 33 8.420 8.480 -0.060 1
1 417 . 12 1 1 A 33 33 SER HA H 33 3.860 4.036 -0.176 1
1 420 . 12 1 1 A 33 33 SER C C 33 175.900 176.043 -0.143 1
1 421 . 12 1 1 A 33 33 SER CA C 33 63.100 62.443 0.657 1
1 422 . 12 1 1 A 33 33 SER CB C 33 62.900 63.160 -0.260 1
1 423 . 12 1 1 A 33 33 SER N N 33 116.000 116.770 -0.770 1
1 424 . 12 1 1 A 34 34 LEU H H 34 8.400 8.552 -0.152 1
1 425 . 12 1 1 A 34 34 LEU HA H 34 4.010 3.991 0.019 1
1 435 . 12 1 1 A 34 34 LEU C C 34 179.500 179.200 0.300 1
1 436 . 12 1 1 A 34 34 LEU CA C 34 58.700 57.942 0.758 1
1 437 . 12 1 1 A 34 34 LEU CB C 34 41.500 41.421 0.079 1
1 441 . 12 1 1 A 34 34 LEU N N 34 120.400 120.827 -0.427 1
1 442 . 12 1 1 A 35 35 MET H H 35 7.970 8.010 -0.040 1
1 443 . 12 1 1 A 35 35 MET HA H 35 4.210 4.189 0.021 1
1 451 . 12 1 1 A 35 35 MET C C 35 178.900 178.502 0.398 1
1 452 . 12 1 1 A 35 35 MET CA C 35 59.100 58.459 0.641 1
1 453 . 12 1 1 A 35 35 MET CB C 35 33.100 32.808 0.292 1
1 456 . 12 1 1 A 35 35 MET N N 35 120.300 117.308 2.992 1
1 457 . 12 1 1 A 36 36 ALA H H 36 8.710 8.023 0.687 1
1 458 . 12 1 1 A 36 36 ALA HA H 36 3.900 4.083 -0.183 1
1 462 . 12 1 1 A 36 36 ALA C C 36 179.700 179.242 0.458 1
1 463 . 12 1 1 A 36 36 ALA CA C 36 55.400 55.074 0.326 1
1 464 . 12 1 1 A 36 36 ALA CB C 36 18.600 18.501 0.099 1
1 465 . 12 1 1 A 36 36 ALA N N 36 121.700 121.742 -0.042 1
1 466 . 12 1 1 A 37 37 LEU H H 37 8.750 8.067 0.683 1
1 467 . 12 1 1 A 37 37 LEU HA H 37 3.980 4.020 -0.040 1
1 477 . 12 1 1 A 37 37 LEU C C 37 179.600 178.732 0.868 1
1 478 . 12 1 1 A 37 37 LEU CA C 37 59.000 57.920 1.080 1
1 479 . 12 1 1 A 37 37 LEU CB C 37 42.000 41.116 0.884 1
1 483 . 12 1 1 A 37 37 LEU N N 37 118.100 119.348 -1.248 1
1 484 . 12 1 1 A 38 38 GLY H H 38 8.780 8.386 0.394 1
1 485 . 12 1 1 A 38 38 GLY HA2 H 38 3.650 3.795 -0.145 1
1 486 . 12 1 1 A 38 38 GLY HA3 H 38 3.940 3.798 0.142 1
1 487 . 12 1 1 A 38 38 GLY C C 38 175.600 176.169 -0.569 1
1 488 . 12 1 1 A 38 38 GLY CA C 38 48.300 47.242 1.058 1
1 489 . 12 1 1 A 38 38 GLY N N 38 105.600 107.187 -1.587 1
1 490 . 12 1 1 A 39 39 ASN H H 39 8.180 7.888 0.292 1
1 491 . 12 1 1 A 39 39 ASN HA H 39 4.550 4.460 0.090 1
1 496 . 12 1 1 A 39 39 ASN C C 39 178.400 178.147 0.253 1
1 497 . 12 1 1 A 39 39 ASN CA C 39 56.000 55.987 0.013 1
1 498 . 12 1 1 A 39 39 ASN CB C 39 39.200 37.990 1.210 1
1 500 . 12 1 1 A 39 39 ASN N N 39 120.000 119.657 0.343 1
1 502 . 12 1 1 A 40 40 CYS H H 40 8.420 7.900 0.520 1
1 503 . 12 1 1 A 40 40 CYS HA H 40 4.010 4.025 -0.015 1
1 506 . 12 1 1 A 40 40 CYS C C 40 176.000 176.982 -0.982 1
1 507 . 12 1 1 A 40 40 CYS CA C 40 65.300 62.551 2.749 1
1 508 . 12 1 1 A 40 40 CYS CB C 40 27.200 26.526 0.674 1
1 509 . 12 1 1 A 40 40 CYS N N 40 120.200 119.313 0.887 1
1 510 . 12 1 1 A 41 41 VAL H H 41 7.830 8.164 -0.334 1
1 511 . 12 1 1 A 41 41 VAL HA H 41 3.250 3.550 -0.300 1
1 519 . 12 1 1 A 41 41 VAL C C 41 177.500 178.587 -1.087 1
1 520 . 12 1 1 A 41 41 VAL CA C 41 67.500 66.800 0.700 1
1 521 . 12 1 1 A 41 41 VAL CB C 41 30.800 31.612 -0.812 1
1 524 . 12 1 1 A 41 41 VAL N N 41 119.400 120.310 -0.910 1
1 525 . 12 1 1 A 42 42 THR H H 42 8.270 7.742 0.528 1
1 526 . 12 1 1 A 42 42 THR HA H 42 3.520 3.835 -0.315 1
1 531 . 12 1 1 A 42 42 THR C C 42 176.200 176.181 0.019 1
1 532 . 12 1 1 A 42 42 THR CA C 42 67.800 66.685 1.115 1
1 533 . 12 1 1 A 42 42 THR CB C 42 67.800 68.471 -0.671 1
1 535 . 12 1 1 A 42 42 THR N N 42 113.600 115.488 -1.888 1
1 536 . 12 1 1 A 43 43 HIS H H 43 8.250 8.100 0.150 1
1 537 . 12 1 1 A 43 43 HIS HA H 43 4.310 4.161 0.149 1
1 542 . 12 1 1 A 43 43 HIS C C 43 177.200 177.228 -0.028 1
1 543 . 12 1 1 A 43 43 HIS CA C 43 59.300 59.416 -0.116 1
1 544 . 12 1 1 A 43 43 HIS CB C 43 28.900 29.871 -0.971 1
1 547 . 12 1 1 A 43 43 HIS N N 43 120.000 122.440 -2.440 1
1 550 . 12 1 1 A 44 44 LEU H H 44 8.070 8.065 0.005 1
1 551 . 12 1 1 A 44 44 LEU HA H 44 3.960 3.891 0.069 1
1 561 . 12 1 1 A 44 44 LEU C C 44 179.300 179.318 -0.018 1
1 562 . 12 1 1 A 44 44 LEU CA C 44 58.400 57.854 0.546 1
1 563 . 12 1 1 A 44 44 LEU CB C 44 42.200 41.444 0.756 1
1 567 . 12 1 1 A 44 44 LEU N N 44 119.400 119.897 -0.497 1
1 568 . 12 1 1 A 45 45 LEU H H 45 8.410 7.816 0.594 1
1 569 . 12 1 1 A 45 45 LEU HA H 45 3.850 3.884 -0.034 1
1 579 . 12 1 1 A 45 45 LEU C C 45 178.700 179.052 -0.352 1
1 580 . 12 1 1 A 45 45 LEU CA C 45 58.200 57.915 0.285 1
1 581 . 12 1 1 A 45 45 LEU CB C 45 41.800 41.046 0.754 1
1 585 . 12 1 1 A 45 45 LEU N N 45 118.100 119.125 -1.025 1
1 586 . 12 1 1 A 46 46 GLU H H 46 8.120 8.023 0.097 1
1 587 . 12 1 1 A 46 46 GLU HA H 46 3.740 4.048 -0.308 1
1 592 . 12 1 1 A 46 46 GLU C C 46 178.000 177.865 0.135 1
1 593 . 12 1 1 A 46 46 GLU CA C 46 58.900 59.089 -0.189 1
1 594 . 12 1 1 A 46 46 GLU CB C 46 29.700 29.080 0.620 1
1 596 . 12 1 1 A 46 46 GLU N N 46 115.000 118.490 -3.490 1
1 597 . 12 1 1 A 47 47 ARG H H 47 7.740 7.561 0.179 1
1 598 . 12 1 1 A 47 47 ARG HA H 47 4.270 4.351 -0.081 1
1 606 . 12 1 1 A 47 47 ARG C C 47 178.500 177.882 0.618 1
1 607 . 12 1 1 A 47 47 ARG CA C 47 57.000 58.184 -1.184 1
1 608 . 12 1 1 A 47 47 ARG CB C 47 31.600 31.180 0.420 1
1 611 . 12 1 1 A 47 47 ARG N N 47 114.000 117.870 -3.870 1
1 613 . 12 1 1 A 48 48 LYS H H 48 8.210 8.097 0.113 1
1 614 . 12 1 1 A 48 48 LYS HA H 48 4.620 4.318 0.302 1
1 623 . 12 1 1 A 48 48 LYS C C 48 176.400 175.702 0.698 1
1 624 . 12 1 1 A 48 48 LYS CA C 48 55.500 56.699 -1.199 1
1 625 . 12 1 1 A 48 48 LYS CB C 48 34.500 33.142 1.358 1
1 629 . 12 1 1 A 48 48 LYS N N 48 114.000 117.516 -3.516 1
1 630 . 12 1 1 A 49 49 VAL H H 49 7.630 7.366 0.264 1
1 631 . 12 1 1 A 49 49 VAL HA H 49 4.710 4.514 0.196 1
1 639 . 12 1 1 A 49 49 VAL CA C 49 59.400 58.489 0.911 1
1 640 . 12 1 1 A 49 49 VAL CB C 49 33.600 35.026 -1.426 1
1 643 . 12 1 1 A 49 49 VAL N N 49 121.800 118.709 3.091 1
1 644 . 12 1 1 A 50 50 PRO HA H 50 4.460 4.575 -0.115 1
1 651 . 12 1 1 A 50 50 PRO C C 50 177.900 177.775 0.125 1
1 652 . 12 1 1 A 50 50 PRO CA C 50 63.200 62.696 0.504 1
1 653 . 12 1 1 A 50 50 PRO CB C 50 32.900 32.938 -0.038 1
1 656 . 12 1 1 A 51 51 SER H H 51 8.950 8.730 0.220 1
1 657 . 12 1 1 A 51 51 SER HA H 51 3.910 4.173 -0.263 1
1 660 . 12 1 1 A 51 51 SER C C 51 176.300 176.729 -0.429 1
1 661 . 12 1 1 A 51 51 SER CA C 51 62.800 61.636 1.164 1
1 662 . 12 1 1 A 51 51 SER CB C 51 62.700 62.982 -0.282 1
1 663 . 12 1 1 A 51 51 SER N N 51 119.000 118.857 0.143 1
1 664 . 12 1 1 A 52 52 GLU H H 52 9.480 8.024 1.456 1
1 665 . 12 1 1 A 52 52 GLU HA H 52 4.220 4.083 0.137 1
1 670 . 12 1 1 A 52 52 GLU C C 52 177.000 178.114 -1.114 1
1 671 . 12 1 1 A 52 52 GLU CA C 52 59.200 59.149 0.051 1
1 672 . 12 1 1 A 52 52 GLU CB C 52 28.700 29.584 -0.884 1
1 674 . 12 1 1 A 52 52 GLU N N 52 118.900 122.156 -3.256 1
1 675 . 12 1 1 A 53 53 SER H H 53 7.770 7.943 -0.173 1
1 676 . 12 1 1 A 53 53 SER HA H 53 4.940 4.416 0.524 1
1 679 . 12 1 1 A 53 53 SER C C 53 174.200 176.556 -2.356 1
1 680 . 12 1 1 A 53 53 SER CA C 53 58.200 60.617 -2.417 1
1 681 . 12 1 1 A 53 53 SER CB C 53 64.800 63.800 1.000 1
1 682 . 12 1 1 A 53 53 SER N N 53 112.500 116.416 -3.916 1
1 683 . 12 1 1 A 54 54 ARG H H 54 7.380 8.106 -0.726 1
1 684 . 12 1 1 A 54 54 ARG HA H 54 3.630 4.026 -0.396 1
1 696 . 12 1 1 A 54 54 ARG C C 54 177.200 178.852 -1.652 1
1 697 . 12 1 1 A 54 54 ARG CA C 54 61.400 59.772 1.628 1
1 698 . 12 1 1 A 54 54 ARG CB C 54 31.200 30.082 1.118 1
1 701 . 12 1 1 A 54 54 ARG N N 54 122.100 122.239 -0.139 1
1 703 . 12 1 1 A 55 55 GLN H H 55 9.010 7.878 1.132 1
1 704 . 12 1 1 A 55 55 GLN HA H 55 3.840 4.070 -0.230 1
1 711 . 12 1 1 A 55 55 GLN C C 55 178.000 177.854 0.146 1
1 712 . 12 1 1 A 55 55 GLN CA C 55 59.700 58.821 0.879 1
1 713 . 12 1 1 A 55 55 GLN CB C 55 28.100 28.666 -0.566 1
1 716 . 12 1 1 A 55 55 GLN N N 55 118.000 119.447 -1.447 1
1 718 . 12 1 1 A 56 56 ALA H H 56 8.280 7.903 0.377 1
1 719 . 12 1 1 A 56 56 ALA HA H 56 4.190 4.057 0.133 1
1 723 . 12 1 1 A 56 56 ALA C C 56 181.200 179.950 1.250 1
1 724 . 12 1 1 A 56 56 ALA CA C 56 55.200 55.204 -0.004 1
1 725 . 12 1 1 A 56 56 ALA CB C 56 17.900 18.335 -0.435 1
1 726 . 12 1 1 A 56 56 ALA N N 56 122.300 122.065 0.235 1
1 727 . 12 1 1 A 57 57 VAL H H 57 8.150 8.023 0.127 1
1 728 . 12 1 1 A 57 57 VAL HA H 57 3.740 3.532 0.208 1
1 736 . 12 1 1 A 57 57 VAL C C 57 178.900 178.272 0.628 1
1 737 . 12 1 1 A 57 57 VAL CA C 57 66.700 66.547 0.153 1
1 738 . 12 1 1 A 57 57 VAL CB C 57 31.700 31.605 0.095 1
1 741 . 12 1 1 A 57 57 VAL N N 57 119.600 118.300 1.300 1
1 742 . 12 1 1 A 58 58 ALA H H 58 8.370 8.399 -0.029 1
1 743 . 12 1 1 A 58 58 ALA HA H 58 3.910 3.944 -0.034 1
1 747 . 12 1 1 A 58 58 ALA C C 58 179.500 180.240 -0.740 1
1 748 . 12 1 1 A 58 58 ALA CA C 58 55.800 55.917 -0.117 1
1 749 . 12 1 1 A 58 58 ALA CB C 58 18.500 18.217 0.283 1
1 750 . 12 1 1 A 58 58 ALA N N 58 123.000 122.143 0.857 1
1 751 . 12 1 1 A 59 59 GLU H H 59 8.630 8.138 0.492 1
1 752 . 12 1 1 A 59 59 GLU HA H 59 4.100 4.053 0.047 1
1 757 . 12 1 1 A 59 59 GLU C C 59 179.400 179.409 -0.009 1
1 758 . 12 1 1 A 59 59 GLU CA C 59 59.600 59.746 -0.146 1
1 759 . 12 1 1 A 59 59 GLU CB C 59 29.300 29.337 -0.037 1
1 761 . 12 1 1 A 59 59 GLU N N 59 118.400 117.942 0.458 1
1 762 . 12 1 1 A 60 60 GLN H H 60 8.280 7.678 0.602 1
1 763 . 12 1 1 A 60 60 GLN HA H 60 4.090 4.077 0.013 1
1 770 . 12 1 1 A 60 60 GLN C C 60 178.700 178.452 0.248 1
1 771 . 12 1 1 A 60 60 GLN CA C 60 59.100 58.699 0.401 1
1 772 . 12 1 1 A 60 60 GLN CB C 60 28.100 28.668 -0.568 1
1 775 . 12 1 1 A 60 60 GLN N N 60 120.400 118.562 1.838 1
1 777 . 12 1 1 A 61 61 PHE H H 61 8.400 8.986 -0.586 1
1 778 . 12 1 1 A 61 61 PHE HA H 61 4.160 4.282 -0.122 1
1 786 . 12 1 1 A 61 61 PHE C C 61 177.600 177.699 -0.099 1
1 787 . 12 1 1 A 61 61 PHE CA C 61 61.400 61.839 -0.439 1
1 788 . 12 1 1 A 61 61 PHE CB C 61 39.100 39.182 -0.082 1
1 794 . 12 1 1 A 61 61 PHE N N 61 122.000 121.844 0.156 1
1 795 . 12 1 1 A 62 62 ALA H H 62 8.620 8.553 0.067 1
1 796 . 12 1 1 A 62 62 ALA HA H 62 3.980 4.082 -0.102 1
1 800 . 12 1 1 A 62 62 ALA C C 62 179.700 179.400 0.300 1
1 801 . 12 1 1 A 62 62 ALA CA C 62 55.500 55.556 -0.056 1
1 802 . 12 1 1 A 62 62 ALA CB C 62 18.900 18.063 0.837 1
1 803 . 12 1 1 A 62 62 ALA N N 62 122.000 121.671 0.329 1
1 804 . 12 1 1 A 63 63 LYS H H 63 8.470 7.772 0.698 1
1 805 . 12 1 1 A 63 63 LYS HA H 63 4.050 3.936 0.114 1
1 814 . 12 1 1 A 63 63 LYS C C 63 179.200 178.574 0.626 1
1 815 . 12 1 1 A 63 63 LYS CA C 63 59.600 59.496 0.104 1
1 816 . 12 1 1 A 63 63 LYS CB C 63 32.600 32.383 0.217 1
1 820 . 12 1 1 A 63 63 LYS N N 63 119.500 118.620 0.880 1
1 821 . 12 1 1 A 64 64 ALA H H 64 8.000 8.193 -0.193 1
1 822 . 12 1 1 A 64 64 ALA HA H 64 4.100 4.035 0.065 1
1 826 . 12 1 1 A 64 64 ALA C C 64 180.700 180.172 0.528 1
1 827 . 12 1 1 A 64 64 ALA CA C 64 55.000 54.884 0.116 1
1 828 . 12 1 1 A 64 64 ALA CB C 64 17.700 17.888 -0.188 1
1 829 . 12 1 1 A 64 64 ALA N N 64 122.000 120.497 1.503 1
1 830 . 12 1 1 A 65 65 LEU H H 65 7.830 8.037 -0.207 1
1 831 . 12 1 1 A 65 65 LEU HA H 65 3.950 3.913 0.037 1
1 841 . 12 1 1 A 65 65 LEU C C 65 178.900 178.391 0.509 1
1 842 . 12 1 1 A 65 65 LEU CA C 65 57.800 57.491 0.309 1
1 843 . 12 1 1 A 65 65 LEU CB C 65 41.700 41.313 0.387 1
1 847 . 12 1 1 A 65 65 LEU N N 65 120.600 120.455 0.145 1
1 848 . 12 1 1 A 66 66 ALA H H 66 7.990 8.402 -0.412 1
1 849 . 12 1 1 A 66 66 ALA HA H 66 3.840 4.046 -0.206 1
1 853 . 12 1 1 A 66 66 ALA C C 66 180.300 180.059 0.241 1
1 854 . 12 1 1 A 66 66 ALA CA C 66 55.500 55.426 0.074 1
1 855 . 12 1 1 A 66 66 ALA CB C 66 17.900 18.826 -0.926 1
1 856 . 12 1 1 A 66 66 ALA N N 66 120.900 121.931 -1.031 1
1 857 . 12 1 1 A 67 67 GLN H H 67 8.140 8.289 -0.149 1
1 858 . 12 1 1 A 67 67 GLN HA H 67 4.070 4.015 0.055 1
1 865 . 12 1 1 A 67 67 GLN C C 67 178.400 178.657 -0.257 1
1 866 . 12 1 1 A 67 67 GLN CA C 67 58.300 58.482 -0.182 1
1 867 . 12 1 1 A 67 67 GLN CB C 67 28.400 28.605 -0.205 1
1 870 . 12 1 1 A 67 67 GLN N N 67 116.600 117.546 -0.946 1
1 872 . 12 1 1 A 68 68 SER H H 68 8.120 7.962 0.158 1
1 873 . 12 1 1 A 68 68 SER HA H 68 4.220 4.237 -0.017 1
1 876 . 12 1 1 A 68 68 SER C C 68 176.500 176.614 -0.114 1
1 877 . 12 1 1 A 68 68 SER CA C 68 61.500 61.266 0.234 1
1 878 . 12 1 1 A 68 68 SER CB C 68 63.000 62.965 0.035 1
1 879 . 12 1 1 A 68 68 SER N N 68 116.700 115.746 0.954 1
1 880 . 12 1 1 A 69 69 VAL H H 69 7.660 7.671 -0.011 1
1 881 . 12 1 1 A 69 69 VAL HA H 69 3.860 3.778 0.082 1
1 889 . 12 1 1 A 69 69 VAL C C 69 177.400 177.796 -0.396 1
1 890 . 12 1 1 A 69 69 VAL CA C 69 64.900 65.534 -0.634 1
1 891 . 12 1 1 A 69 69 VAL CB C 69 31.900 32.084 -0.184 1
1 894 . 12 1 1 A 69 69 VAL N N 69 119.800 120.291 -0.491 1
1 895 . 12 1 1 A 70 70 LYS H H 70 7.860 8.725 -0.865 1
1 896 . 12 1 1 A 70 70 LYS HA H 70 4.040 4.051 -0.011 1
1 905 . 12 1 1 A 70 70 LYS C C 70 178.400 179.247 -0.847 1
1 906 . 12 1 1 A 70 70 LYS CA C 70 59.200 59.029 0.171 1
1 907 . 12 1 1 A 70 70 LYS CB C 70 32.800 32.192 0.608 1
1 911 . 12 1 1 A 70 70 LYS N N 70 121.300 121.437 -0.137 1
1 912 . 12 1 1 A 71 71 SER H H 71 8.390 8.012 0.378 1
1 913 . 12 1 1 A 71 71 SER HA H 71 4.280 4.323 -0.043 1
1 916 . 12 1 1 A 71 71 SER C C 71 176.000 176.219 -0.219 1
1 917 . 12 1 1 A 71 71 SER CA C 71 60.700 60.975 -0.275 1
1 918 . 12 1 1 A 71 71 SER CB C 71 63.300 62.587 0.713 1
1 919 . 12 1 1 A 71 71 SER N N 71 114.400 114.989 -0.589 1
1 920 . 12 1 1 A 72 72 ASN H H 72 7.940 7.822 0.118 1
1 921 . 12 1 1 A 72 72 ASN HA H 72 4.630 4.620 0.010 1
1 926 . 12 1 1 A 72 72 ASN C C 72 176.700 176.700 0.000 1
1 927 . 12 1 1 A 72 72 ASN CA C 72 55.000 54.610 0.390 1
1 928 . 12 1 1 A 72 72 ASN CB C 72 39.000 38.806 0.194 1
1 930 . 12 1 1 A 72 72 ASN N N 72 119.700 119.826 -0.126 1
1 932 . 12 1 1 A 73 73 LEU H H 73 7.900 7.562 0.338 1
1 933 . 12 1 1 A 73 73 LEU HA H 73 4.180 4.329 -0.149 1
1 943 . 12 1 1 A 73 73 LEU C C 73 178.400 178.095 0.305 1
1 944 . 12 1 1 A 73 73 LEU CA C 73 56.700 55.495 1.205 1
1 945 . 12 1 1 A 73 73 LEU CB C 73 42.300 41.355 0.945 1
1 949 . 12 1 1 A 73 73 LEU N N 73 121.000 118.257 2.743 1
1 950 . 12 1 1 A 74 74 GLU H H 74 8.060 8.061 -0.001 1
1 951 . 12 1 1 A 74 74 GLU HA H 74 4.120 4.387 -0.267 1
1 956 . 12 1 1 A 74 74 GLU C C 74 177.100 177.169 -0.069 1
1 957 . 12 1 1 A 74 74 GLU CA C 74 57.400 58.596 -1.196 1
1 958 . 12 1 1 A 74 74 GLU CB C 74 29.900 29.653 0.247 1
1 960 . 12 1 1 A 74 74 GLU N N 74 119.300 117.991 1.309 1
1 961 . 12 1 1 A 75 75 HIS H H 75 8.140 7.288 0.852 1
1 962 . 12 1 1 A 75 75 HIS HA H 75 4.590 4.594 -0.004 1
1 966 . 12 1 1 A 75 75 HIS C C 75 174.900 173.601 1.299 1
1 967 . 12 1 1 A 75 75 HIS CA C 75 56.100 55.395 0.705 1
1 968 . 12 1 1 A 75 75 HIS CB C 75 29.000 29.255 -0.255 1
1 970 . 12 1 1 A 75 75 HIS N N 75 117.500 121.567 -4.067 1
1 971 . 12 1 1 A 76 76 HIS H H 76 8.240 7.868 0.372 1
1 972 . 12 1 1 A 76 76 HIS C C 76 174.500 171.803 2.697 1
1 973 . 12 1 1 A 76 76 HIS CA C 76 55.900 54.731 1.169 1
1 974 . 12 1 1 A 76 76 HIS CB C 76 29.300 31.748 -2.448 1
1 975 . 12 1 1 A 76 76 HIS N N 76 118.300 120.727 -2.427 1
1 976 . 12 1 1 A 77 77 HIS H H 77 8.400 8.976 -0.576 1
1 977 . 12 1 1 A 77 77 HIS HA H 77 4.640 5.306 -0.666 1
1 980 . 12 1 1 A 77 77 HIS C C 77 173.700 173.787 -0.087 1
1 981 . 12 1 1 A 77 77 HIS CA C 77 55.700 53.975 1.725 1
1 982 . 12 1 1 A 77 77 HIS CB C 77 29.700 32.313 -2.613 1
1 983 . 12 1 1 A 77 77 HIS N N 77 119.300 121.675 -2.375 1
1 984 . 12 1 1 A 78 78 HIS H H 78 8.330 8.489 -0.159 1
1 985 . 12 1 1 A 78 78 HIS CA C 78 57.200 54.679 2.521 1
1 986 . 12 1 1 A 78 78 HIS CB C 78 29.900 28.894 1.006 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 4.140 4.656 -0.516 1
1 5 . 13 1 1 A 2 2 ALA C C 2 173.800 176.870 -3.070 1
1 6 . 13 1 1 A 2 2 ALA CA C 2 51.800 50.770 1.030 1
1 7 . 13 1 1 A 2 2 ALA CB C 2 19.600 21.616 -2.016 1
1 8 . 13 1 1 A 3 3 ILE H H 3 8.540 8.731 -0.191 1
1 9 . 13 1 1 A 3 3 ILE HA H 3 4.190 4.172 0.018 1
1 19 . 13 1 1 A 3 3 ILE C C 3 176.000 175.164 0.836 1
1 20 . 13 1 1 A 3 3 ILE CA C 3 61.300 61.412 -0.112 1
1 21 . 13 1 1 A 3 3 ILE CB C 3 38.800 36.470 2.330 1
1 25 . 13 1 1 A 3 3 ILE N N 3 120.500 119.446 1.054 1
1 26 . 13 1 1 A 4 4 GLN H H 4 8.570 8.176 0.394 1
1 27 . 13 1 1 A 4 4 GLN HA H 4 4.400 4.619 -0.219 1
1 34 . 13 1 1 A 4 4 GLN C C 4 175.700 175.340 0.360 1
1 35 . 13 1 1 A 4 4 GLN CA C 4 55.800 54.977 0.823 1
1 36 . 13 1 1 A 4 4 GLN CB C 4 29.600 30.086 -0.486 1
1 39 . 13 1 1 A 4 4 GLN N N 4 125.100 128.952 -3.852 1
1 41 . 13 1 1 A 5 5 SER H H 5 8.440 7.803 0.637 1
1 42 . 13 1 1 A 5 5 SER HA H 5 4.420 4.663 -0.243 1
1 45 . 13 1 1 A 5 5 SER C C 5 174.300 174.137 0.163 1
1 46 . 13 1 1 A 5 5 SER CA C 5 58.200 56.904 1.296 1
1 47 . 13 1 1 A 5 5 SER CB C 5 64.000 60.985 3.015 1
1 48 . 13 1 1 A 5 5 SER N N 5 118.100 117.008 1.092 1
1 49 . 13 1 1 A 6 6 LYS H H 6 8.320 8.291 0.029 1
1 50 . 13 1 1 A 6 6 LYS HA H 6 4.110 3.849 0.261 1
1 59 . 13 1 1 A 6 6 LYS C C 6 176.000 174.853 1.147 1
1 60 . 13 1 1 A 6 6 LYS CA C 6 57.200 58.884 -1.684 1
1 61 . 13 1 1 A 6 6 LYS CB C 6 33.100 30.558 2.542 1
1 65 . 13 1 1 A 6 6 LYS N N 6 123.600 114.251 9.349 1
1 66 . 13 1 1 A 7 7 TYR H H 7 8.000 7.497 0.503 1
1 67 . 13 1 1 A 7 7 TYR HA H 7 4.800 4.985 -0.185 1
1 74 . 13 1 1 A 7 7 TYR C C 7 175.800 173.218 2.582 1
1 75 . 13 1 1 A 7 7 TYR CA C 7 57.000 56.337 0.663 1
1 76 . 13 1 1 A 7 7 TYR CB C 7 39.900 40.491 -0.591 1
1 81 . 13 1 1 A 7 7 TYR N N 7 118.900 113.688 5.212 1
1 82 . 13 1 1 A 8 8 SER H H 8 8.770 8.977 -0.207 1
1 83 . 13 1 1 A 8 8 SER HA H 8 4.510 4.894 -0.384 1
1 86 . 13 1 1 A 8 8 SER C C 8 175.000 174.557 0.443 1
1 87 . 13 1 1 A 8 8 SER CA C 8 57.500 57.590 -0.090 1
1 88 . 13 1 1 A 8 8 SER CB C 8 64.700 67.055 -2.355 1
1 89 . 13 1 1 A 8 8 SER N N 8 118.600 115.667 2.933 1
1 90 . 13 1 1 A 9 9 ASN H H 9 8.910 8.830 0.080 1
1 91 . 13 1 1 A 9 9 ASN HA H 9 4.540 4.381 0.159 1
1 96 . 13 1 1 A 9 9 ASN C C 9 177.200 177.076 0.124 1
1 97 . 13 1 1 A 9 9 ASN CA C 9 55.900 57.022 -1.122 1
1 98 . 13 1 1 A 9 9 ASN CB C 9 38.200 38.824 -0.624 1
1 100 . 13 1 1 A 9 9 ASN N N 9 121.400 121.826 -0.426 1
1 102 . 13 1 1 A 10 10 THR H H 10 8.180 8.178 0.002 1
1 103 . 13 1 1 A 10 10 THR HA H 10 4.070 3.920 0.150 1
1 108 . 13 1 1 A 10 10 THR C C 10 176.600 176.430 0.170 1
1 109 . 13 1 1 A 10 10 THR CA C 10 65.300 66.798 -1.498 1
1 110 . 13 1 1 A 10 10 THR CB C 10 68.800 67.929 0.871 1
1 112 . 13 1 1 A 10 10 THR N N 10 113.500 115.245 -1.745 1
1 113 . 13 1 1 A 11 11 GLN H H 11 7.950 7.953 -0.003 1
1 114 . 13 1 1 A 11 11 GLN HA H 11 4.160 4.019 0.141 1
1 121 . 13 1 1 A 11 11 GLN C C 11 178.400 178.456 -0.056 1
1 122 . 13 1 1 A 11 11 GLN CA C 11 59.000 58.937 0.063 1
1 123 . 13 1 1 A 11 11 GLN CB C 11 29.200 28.477 0.723 1
1 126 . 13 1 1 A 11 11 GLN N N 11 122.500 120.454 2.046 1
1 128 . 13 1 1 A 12 12 VAL H H 12 7.850 8.224 -0.374 1
1 129 . 13 1 1 A 12 12 VAL HA H 12 3.540 3.472 0.068 1
1 137 . 13 1 1 A 12 12 VAL C C 12 177.400 177.680 -0.280 1
1 138 . 13 1 1 A 12 12 VAL CA C 12 66.400 66.473 -0.073 1
1 139 . 13 1 1 A 12 12 VAL CB C 12 32.300 31.752 0.548 1
1 142 . 13 1 1 A 12 12 VAL N N 12 119.000 120.129 -1.129 1
1 143 . 13 1 1 A 13 13 GLU H H 13 8.550 8.851 -0.301 1
1 144 . 13 1 1 A 13 13 GLU HA H 13 3.910 3.937 -0.027 1
1 149 . 13 1 1 A 13 13 GLU C C 13 179.500 179.071 0.429 1
1 150 . 13 1 1 A 13 13 GLU CA C 13 59.700 59.874 -0.174 1
1 151 . 13 1 1 A 13 13 GLU CB C 13 29.100 29.637 -0.537 1
1 153 . 13 1 1 A 13 13 GLU N N 13 118.300 120.657 -2.357 1
1 154 . 13 1 1 A 14 14 SER H H 14 8.080 8.154 -0.074 1
1 155 . 13 1 1 A 14 14 SER HA H 14 4.260 4.076 0.184 1
1 158 . 13 1 1 A 14 14 SER C C 14 176.200 176.533 -0.333 1
1 159 . 13 1 1 A 14 14 SER CA C 14 61.700 62.412 -0.712 1
1 160 . 13 1 1 A 14 14 SER CB C 14 62.800 62.835 -0.035 1
1 161 . 13 1 1 A 14 14 SER N N 14 114.600 116.886 -2.286 1
1 162 . 13 1 1 A 15 15 LEU H H 15 7.110 8.101 -0.991 1
1 163 . 13 1 1 A 15 15 LEU HA H 15 3.690 4.114 -0.424 1
1 173 . 13 1 1 A 15 15 LEU C C 15 177.800 179.187 -1.387 1
1 174 . 13 1 1 A 15 15 LEU CA C 15 57.700 58.010 -0.310 1
1 175 . 13 1 1 A 15 15 LEU CB C 15 42.300 41.686 0.614 1
1 179 . 13 1 1 A 15 15 LEU N N 15 122.200 120.913 1.287 1
1 180 . 13 1 1 A 16 16 ILE H H 16 8.030 8.487 -0.457 1
1 181 . 13 1 1 A 16 16 ILE HA H 16 3.220 3.608 -0.388 1
1 191 . 13 1 1 A 16 16 ILE C C 16 177.200 177.732 -0.532 1
1 192 . 13 1 1 A 16 16 ILE CA C 16 66.000 65.813 0.187 1
1 193 . 13 1 1 A 16 16 ILE CB C 16 39.100 37.744 1.356 1
1 197 . 13 1 1 A 16 16 ILE N N 16 117.900 119.730 -1.830 1
1 198 . 13 1 1 A 17 17 ALA H H 17 7.960 8.423 -0.463 1
1 199 . 13 1 1 A 17 17 ALA HA H 17 3.930 3.973 -0.043 1
1 203 . 13 1 1 A 17 17 ALA C C 17 180.600 180.102 0.498 1
1 204 . 13 1 1 A 17 17 ALA CA C 17 55.400 55.292 0.108 1
1 205 . 13 1 1 A 17 17 ALA CB C 17 18.000 18.066 -0.066 1
1 206 . 13 1 1 A 17 17 ALA N N 17 118.300 121.150 -2.850 1
1 207 . 13 1 1 A 18 18 GLU H H 18 7.630 7.614 0.016 1
1 208 . 13 1 1 A 18 18 GLU HA H 18 4.030 4.115 -0.085 1
1 213 . 13 1 1 A 18 18 GLU C C 18 179.400 179.040 0.360 1
1 214 . 13 1 1 A 18 18 GLU CA C 18 59.800 58.706 1.094 1
1 215 . 13 1 1 A 18 18 GLU CB C 18 30.300 29.459 0.841 1
1 217 . 13 1 1 A 18 18 GLU N N 18 116.300 118.859 -2.559 1
1 218 . 13 1 1 A 19 19 ILE H H 19 8.110 8.066 0.044 1
1 219 . 13 1 1 A 19 19 ILE HA H 19 3.590 3.673 -0.083 1
1 229 . 13 1 1 A 19 19 ILE C C 19 177.800 178.440 -0.640 1
1 230 . 13 1 1 A 19 19 ILE CA C 19 66.500 64.904 1.596 1
1 231 . 13 1 1 A 19 19 ILE CB C 19 37.500 37.324 0.176 1
1 235 . 13 1 1 A 19 19 ILE N N 19 121.100 120.454 0.646 1
1 236 . 13 1 1 A 20 20 LEU H H 20 8.480 8.417 0.063 1
1 237 . 13 1 1 A 20 20 LEU HA H 20 4.020 4.040 -0.020 1
1 247 . 13 1 1 A 20 20 LEU C C 20 180.500 179.044 1.456 1
1 248 . 13 1 1 A 20 20 LEU CA C 20 58.600 58.008 0.592 1
1 249 . 13 1 1 A 20 20 LEU CB C 20 40.400 41.436 -1.036 1
1 253 . 13 1 1 A 20 20 LEU N N 20 118.300 120.540 -2.240 1
1 254 . 13 1 1 A 21 21 VAL H H 21 7.810 8.111 -0.301 1
1 255 . 13 1 1 A 21 21 VAL HA H 21 3.770 3.666 0.104 1
1 263 . 13 1 1 A 21 21 VAL C C 21 178.200 178.359 -0.159 1
1 264 . 13 1 1 A 21 21 VAL CA C 21 66.800 66.945 -0.145 1
1 265 . 13 1 1 A 21 21 VAL CB C 21 31.600 31.487 0.113 1
1 268 . 13 1 1 A 21 21 VAL N N 21 119.700 119.447 0.253 1
1 269 . 13 1 1 A 22 22 VAL H H 22 7.530 7.907 -0.377 1
1 270 . 13 1 1 A 22 22 VAL HA H 22 3.610 3.581 0.029 1
1 278 . 13 1 1 A 22 22 VAL C C 22 178.500 178.129 0.371 1
1 279 . 13 1 1 A 22 22 VAL CA C 22 67.300 66.828 0.472 1
1 280 . 13 1 1 A 22 22 VAL CB C 22 31.500 31.643 -0.143 1
1 283 . 13 1 1 A 22 22 VAL N N 22 121.400 119.889 1.511 1
1 284 . 13 1 1 A 23 23 LEU H H 23 7.610 8.110 -0.500 1
1 285 . 13 1 1 A 23 23 LEU HA H 23 3.880 3.899 -0.019 1
1 295 . 13 1 1 A 23 23 LEU C C 23 179.700 179.340 0.360 1
1 296 . 13 1 1 A 23 23 LEU CA C 23 58.400 58.341 0.059 1
1 297 . 13 1 1 A 23 23 LEU CB C 23 40.900 41.233 -0.333 1
1 301 . 13 1 1 A 23 23 LEU N N 23 116.800 118.517 -1.717 1
1 302 . 13 1 1 A 24 24 GLU H H 24 8.160 8.593 -0.433 1
1 303 . 13 1 1 A 24 24 GLU HA H 24 4.170 4.037 0.133 1
1 308 . 13 1 1 A 24 24 GLU C C 24 180.900 178.454 2.446 1
1 309 . 13 1 1 A 24 24 GLU CA C 24 59.000 59.325 -0.325 1
1 310 . 13 1 1 A 24 24 GLU CB C 24 29.700 29.078 0.622 1
1 312 . 13 1 1 A 24 24 GLU N N 24 119.200 119.654 -0.454 1
1 313 . 13 1 1 A 25 25 LYS H H 25 8.980 8.186 0.794 1
1 314 . 13 1 1 A 25 25 LYS HA H 25 4.050 4.074 -0.024 1
1 323 . 13 1 1 A 25 25 LYS C C 25 178.600 178.583 0.017 1
1 324 . 13 1 1 A 25 25 LYS CA C 25 59.300 58.978 0.322 1
1 325 . 13 1 1 A 25 25 LYS CB C 25 32.100 32.142 -0.042 1
1 329 . 13 1 1 A 25 25 LYS N N 25 122.900 119.425 3.475 1
1 330 . 13 1 1 A 26 26 HIS H H 26 7.400 7.317 0.083 1
1 331 . 13 1 1 A 26 26 HIS HA H 26 4.460 4.622 -0.162 1
1 336 . 13 1 1 A 26 26 HIS C C 26 173.600 174.512 -0.912 1
1 337 . 13 1 1 A 26 26 HIS CA C 26 56.500 55.819 0.681 1
1 338 . 13 1 1 A 26 26 HIS CB C 26 29.200 30.111 -0.911 1
1 341 . 13 1 1 A 26 26 HIS N N 26 113.800 114.082 -0.282 1
1 342 . 13 1 1 A 27 27 LYS H H 27 8.200 7.971 0.229 1
1 343 . 13 1 1 A 27 27 LYS HA H 27 3.950 3.894 0.056 1
1 352 . 13 1 1 A 27 27 LYS C C 27 176.500 175.355 1.145 1
1 353 . 13 1 1 A 27 27 LYS CA C 27 56.600 57.172 -0.572 1
1 354 . 13 1 1 A 27 27 LYS CB C 27 29.600 30.870 -1.270 1
1 358 . 13 1 1 A 27 27 LYS N N 27 119.500 119.101 0.399 1
1 359 . 13 1 1 A 28 28 ALA H H 28 7.760 7.739 0.021 1
1 360 . 13 1 1 A 28 28 ALA HA H 28 4.490 4.493 -0.003 1
1 364 . 13 1 1 A 28 28 ALA CA C 28 51.000 50.357 0.643 1
1 365 . 13 1 1 A 28 28 ALA CB C 28 19.200 19.627 -0.427 1
1 366 . 13 1 1 A 28 28 ALA N N 28 121.500 119.895 1.605 1
1 367 . 13 1 1 A 29 29 PRO HA H 29 4.720 4.598 0.122 1
1 374 . 13 1 1 A 29 29 PRO C C 29 177.400 177.050 0.350 1
1 375 . 13 1 1 A 29 29 PRO CA C 29 62.100 62.673 -0.573 1
1 376 . 13 1 1 A 29 29 PRO CB C 29 33.000 33.249 -0.249 1
1 379 . 13 1 1 A 30 30 THR H H 30 8.830 8.449 0.381 1
1 380 . 13 1 1 A 30 30 THR HA H 30 3.680 4.261 -0.581 1
1 385 . 13 1 1 A 30 30 THR C C 30 175.200 176.017 -0.817 1
1 386 . 13 1 1 A 30 30 THR CA C 30 67.400 65.405 1.995 1
1 387 . 13 1 1 A 30 30 THR CB C 30 68.500 68.472 0.028 1
1 389 . 13 1 1 A 30 30 THR N N 30 120.400 116.405 3.995 1
1 390 . 13 1 1 A 31 31 ASP H H 31 8.880 8.050 0.830 1
1 391 . 13 1 1 A 31 31 ASP HA H 31 4.220 4.357 -0.137 1
1 394 . 13 1 1 A 31 31 ASP C C 31 179.000 178.607 0.393 1
1 395 . 13 1 1 A 31 31 ASP CA C 31 57.400 57.081 0.319 1
1 396 . 13 1 1 A 31 31 ASP CB C 31 38.700 40.775 -2.075 1
1 397 . 13 1 1 A 31 31 ASP N N 31 118.600 121.509 -2.909 1
1 398 . 13 1 1 A 32 32 LEU H H 32 7.540 7.798 -0.258 1
1 399 . 13 1 1 A 32 32 LEU HA H 32 3.970 4.121 -0.151 1
1 409 . 13 1 1 A 32 32 LEU C C 32 178.100 178.424 -0.324 1
1 410 . 13 1 1 A 32 32 LEU CA C 32 57.500 57.329 0.171 1
1 411 . 13 1 1 A 32 32 LEU CB C 32 40.600 41.388 -0.788 1
1 415 . 13 1 1 A 32 32 LEU N N 32 124.300 121.613 2.687 1
1 416 . 13 1 1 A 33 33 SER H H 33 8.420 8.201 0.219 1
1 417 . 13 1 1 A 33 33 SER HA H 33 3.860 4.182 -0.322 1
1 420 . 13 1 1 A 33 33 SER C C 33 175.900 177.651 -1.751 1
1 421 . 13 1 1 A 33 33 SER CA C 33 63.100 61.646 1.454 1
1 422 . 13 1 1 A 33 33 SER CB C 33 62.900 62.423 0.477 1
1 423 . 13 1 1 A 33 33 SER N N 33 116.000 115.163 0.837 1
1 424 . 13 1 1 A 34 34 LEU H H 34 8.400 8.228 0.172 1
1 425 . 13 1 1 A 34 34 LEU HA H 34 4.010 3.999 0.011 1
1 435 . 13 1 1 A 34 34 LEU C C 34 179.500 178.620 0.880 1
1 436 . 13 1 1 A 34 34 LEU CA C 34 58.700 57.907 0.793 1
1 437 . 13 1 1 A 34 34 LEU CB C 34 41.500 41.420 0.080 1
1 441 . 13 1 1 A 34 34 LEU N N 34 120.400 123.209 -2.809 1
1 442 . 13 1 1 A 35 35 MET H H 35 7.970 8.256 -0.286 1
1 443 . 13 1 1 A 35 35 MET HA H 35 4.210 4.230 -0.020 1
1 451 . 13 1 1 A 35 35 MET C C 35 178.900 177.877 1.023 1
1 452 . 13 1 1 A 35 35 MET CA C 35 59.100 58.827 0.273 1
1 453 . 13 1 1 A 35 35 MET CB C 35 33.100 32.084 1.016 1
1 456 . 13 1 1 A 35 35 MET N N 35 120.300 118.755 1.545 1
1 457 . 13 1 1 A 36 36 ALA H H 36 8.710 7.878 0.832 1
1 458 . 13 1 1 A 36 36 ALA HA H 36 3.900 4.093 -0.193 1
1 462 . 13 1 1 A 36 36 ALA C C 36 179.700 179.758 -0.058 1
1 463 . 13 1 1 A 36 36 ALA CA C 36 55.400 54.935 0.465 1
1 464 . 13 1 1 A 36 36 ALA CB C 36 18.600 18.313 0.287 1
1 465 . 13 1 1 A 36 36 ALA N N 36 121.700 121.298 0.402 1
1 466 . 13 1 1 A 37 37 LEU H H 37 8.750 8.864 -0.114 1
1 467 . 13 1 1 A 37 37 LEU HA H 37 3.980 4.202 -0.222 1
1 477 . 13 1 1 A 37 37 LEU C C 37 179.600 179.766 -0.166 1
1 478 . 13 1 1 A 37 37 LEU CA C 37 59.000 58.137 0.863 1
1 479 . 13 1 1 A 37 37 LEU CB C 37 42.000 42.023 -0.023 1
1 483 . 13 1 1 A 37 37 LEU N N 37 118.100 119.494 -1.394 1
1 484 . 13 1 1 A 38 38 GLY H H 38 8.780 8.180 0.600 1
1 485 . 13 1 1 A 38 38 GLY HA2 H 38 3.650 3.948 -0.298 1
1 486 . 13 1 1 A 38 38 GLY HA3 H 38 3.940 3.964 -0.024 1
1 487 . 13 1 1 A 38 38 GLY C C 38 175.600 175.756 -0.156 1
1 488 . 13 1 1 A 38 38 GLY CA C 38 48.300 46.632 1.668 1
1 489 . 13 1 1 A 38 38 GLY N N 38 105.600 105.255 0.345 1
1 490 . 13 1 1 A 39 39 ASN H H 39 8.180 7.840 0.340 1
1 491 . 13 1 1 A 39 39 ASN HA H 39 4.550 4.756 -0.206 1
1 496 . 13 1 1 A 39 39 ASN C C 39 178.400 177.740 0.660 1
1 497 . 13 1 1 A 39 39 ASN CA C 39 56.000 55.461 0.539 1
1 498 . 13 1 1 A 39 39 ASN CB C 39 39.200 39.405 -0.205 1
1 500 . 13 1 1 A 39 39 ASN N N 39 120.000 117.553 2.447 1
1 502 . 13 1 1 A 40 40 CYS H H 40 8.420 8.531 -0.111 1
1 503 . 13 1 1 A 40 40 CYS HA H 40 4.010 4.141 -0.131 1
1 506 . 13 1 1 A 40 40 CYS C C 40 176.000 177.037 -1.037 1
1 507 . 13 1 1 A 40 40 CYS CA C 40 65.300 62.154 3.146 1
1 508 . 13 1 1 A 40 40 CYS CB C 40 27.200 27.268 -0.068 1
1 509 . 13 1 1 A 40 40 CYS N N 40 120.200 119.013 1.187 1
1 510 . 13 1 1 A 41 41 VAL H H 41 7.830 8.255 -0.425 1
1 511 . 13 1 1 A 41 41 VAL HA H 41 3.250 3.495 -0.245 1
1 519 . 13 1 1 A 41 41 VAL C C 41 177.500 177.822 -0.322 1
1 520 . 13 1 1 A 41 41 VAL CA C 41 67.500 67.001 0.499 1
1 521 . 13 1 1 A 41 41 VAL CB C 41 30.800 31.805 -1.005 1
1 524 . 13 1 1 A 41 41 VAL N N 41 119.400 121.046 -1.646 1
1 525 . 13 1 1 A 42 42 THR H H 42 8.270 7.984 0.286 1
1 526 . 13 1 1 A 42 42 THR HA H 42 3.520 4.069 -0.549 1
1 531 . 13 1 1 A 42 42 THR C C 42 176.200 176.535 -0.335 1
1 532 . 13 1 1 A 42 42 THR CA C 42 67.800 64.927 2.873 1
1 533 . 13 1 1 A 42 42 THR CB C 42 67.800 68.680 -0.880 1
1 535 . 13 1 1 A 42 42 THR N N 42 113.600 115.126 -1.526 1
1 536 . 13 1 1 A 43 43 HIS H H 43 8.250 7.939 0.311 1
1 537 . 13 1 1 A 43 43 HIS HA H 43 4.310 4.319 -0.009 1
1 542 . 13 1 1 A 43 43 HIS C C 43 177.200 177.023 0.177 1
1 543 . 13 1 1 A 43 43 HIS CA C 43 59.300 59.760 -0.460 1
1 544 . 13 1 1 A 43 43 HIS CB C 43 28.900 30.073 -1.173 1
1 547 . 13 1 1 A 43 43 HIS N N 43 120.000 121.345 -1.345 1
1 550 . 13 1 1 A 44 44 LEU H H 44 8.070 8.302 -0.232 1
1 551 . 13 1 1 A 44 44 LEU HA H 44 3.960 3.877 0.083 1
1 561 . 13 1 1 A 44 44 LEU C C 44 179.300 179.200 0.100 1
1 562 . 13 1 1 A 44 44 LEU CA C 44 58.400 57.792 0.608 1
1 563 . 13 1 1 A 44 44 LEU CB C 44 42.200 41.274 0.926 1
1 567 . 13 1 1 A 44 44 LEU N N 44 119.400 119.917 -0.517 1
1 568 . 13 1 1 A 45 45 LEU H H 45 8.410 8.169 0.241 1
1 569 . 13 1 1 A 45 45 LEU HA H 45 3.850 4.001 -0.151 1
1 579 . 13 1 1 A 45 45 LEU C C 45 178.700 178.215 0.485 1
1 580 . 13 1 1 A 45 45 LEU CA C 45 58.200 57.900 0.300 1
1 581 . 13 1 1 A 45 45 LEU CB C 45 41.800 40.937 0.863 1
1 585 . 13 1 1 A 45 45 LEU N N 45 118.100 119.903 -1.803 1
1 586 . 13 1 1 A 46 46 GLU H H 46 8.120 7.669 0.451 1
1 587 . 13 1 1 A 46 46 GLU HA H 46 3.740 4.030 -0.290 1
1 592 . 13 1 1 A 46 46 GLU C C 46 178.000 178.188 -0.188 1
1 593 . 13 1 1 A 46 46 GLU CA C 46 58.900 58.970 -0.070 1
1 594 . 13 1 1 A 46 46 GLU CB C 46 29.700 29.811 -0.111 1
1 596 . 13 1 1 A 46 46 GLU N N 46 115.000 118.532 -3.532 1
1 597 . 13 1 1 A 47 47 ARG H H 47 7.740 7.657 0.083 1
1 598 . 13 1 1 A 47 47 ARG HA H 47 4.270 4.044 0.226 1
1 606 . 13 1 1 A 47 47 ARG C C 47 178.500 177.849 0.651 1
1 607 . 13 1 1 A 47 47 ARG CA C 47 57.000 58.490 -1.490 1
1 608 . 13 1 1 A 47 47 ARG CB C 47 31.600 30.209 1.391 1
1 611 . 13 1 1 A 47 47 ARG N N 47 114.000 120.029 -6.029 1
1 613 . 13 1 1 A 48 48 LYS H H 48 8.210 7.708 0.502 1
1 614 . 13 1 1 A 48 48 LYS HA H 48 4.620 4.373 0.247 1
1 623 . 13 1 1 A 48 48 LYS C C 48 176.400 174.977 1.423 1
1 624 . 13 1 1 A 48 48 LYS CA C 48 55.500 56.168 -0.668 1
1 625 . 13 1 1 A 48 48 LYS CB C 48 34.500 33.432 1.068 1
1 629 . 13 1 1 A 48 48 LYS N N 48 114.000 116.928 -2.928 1
1 630 . 13 1 1 A 49 49 VAL H H 49 7.630 7.585 0.045 1
1 631 . 13 1 1 A 49 49 VAL HA H 49 4.710 4.506 0.204 1
1 639 . 13 1 1 A 49 49 VAL CA C 49 59.400 58.498 0.902 1
1 640 . 13 1 1 A 49 49 VAL CB C 49 33.600 35.007 -1.407 1
1 643 . 13 1 1 A 49 49 VAL N N 49 121.800 119.250 2.550 1
1 644 . 13 1 1 A 50 50 PRO HA H 50 4.460 4.501 -0.041 1
1 651 . 13 1 1 A 50 50 PRO C C 50 177.900 177.528 0.372 1
1 652 . 13 1 1 A 50 50 PRO CA C 50 63.200 62.768 0.432 1
1 653 . 13 1 1 A 50 50 PRO CB C 50 32.900 32.658 0.242 1
1 656 . 13 1 1 A 51 51 SER H H 51 8.950 8.761 0.189 1
1 657 . 13 1 1 A 51 51 SER HA H 51 3.910 4.126 -0.216 1
1 660 . 13 1 1 A 51 51 SER C C 51 176.300 176.495 -0.195 1
1 661 . 13 1 1 A 51 51 SER CA C 51 62.800 61.536 1.264 1
1 662 . 13 1 1 A 51 51 SER CB C 51 62.700 62.634 0.066 1
1 663 . 13 1 1 A 51 51 SER N N 51 119.000 119.572 -0.572 1
1 664 . 13 1 1 A 52 52 GLU H H 52 9.480 8.069 1.411 1
1 665 . 13 1 1 A 52 52 GLU HA H 52 4.220 4.053 0.167 1
1 670 . 13 1 1 A 52 52 GLU C C 52 177.000 178.876 -1.876 1
1 671 . 13 1 1 A 52 52 GLU CA C 52 59.200 59.202 -0.002 1
1 672 . 13 1 1 A 52 52 GLU CB C 52 28.700 29.430 -0.730 1
1 674 . 13 1 1 A 52 52 GLU N N 52 118.900 121.282 -2.382 1
1 675 . 13 1 1 A 53 53 SER H H 53 7.770 7.837 -0.067 1
1 676 . 13 1 1 A 53 53 SER HA H 53 4.940 4.169 0.771 1
1 679 . 13 1 1 A 53 53 SER C C 53 174.200 176.655 -2.455 1
1 680 . 13 1 1 A 53 53 SER CA C 53 58.200 61.111 -2.911 1
1 681 . 13 1 1 A 53 53 SER CB C 53 64.800 63.048 1.752 1
1 682 . 13 1 1 A 53 53 SER N N 53 112.500 115.552 -3.052 1
1 683 . 13 1 1 A 54 54 ARG H H 54 7.380 8.002 -0.622 1
1 684 . 13 1 1 A 54 54 ARG HA H 54 3.630 4.061 -0.431 1
1 696 . 13 1 1 A 54 54 ARG C C 54 177.200 179.108 -1.908 1
1 697 . 13 1 1 A 54 54 ARG CA C 54 61.400 59.645 1.755 1
1 698 . 13 1 1 A 54 54 ARG CB C 54 31.200 30.017 1.183 1
1 701 . 13 1 1 A 54 54 ARG N N 54 122.100 121.257 0.843 1
1 703 . 13 1 1 A 55 55 GLN H H 55 9.010 8.233 0.777 1
1 704 . 13 1 1 A 55 55 GLN HA H 55 3.840 4.104 -0.264 1
1 711 . 13 1 1 A 55 55 GLN C C 55 178.000 178.771 -0.771 1
1 712 . 13 1 1 A 55 55 GLN CA C 55 59.700 58.839 0.861 1
1 713 . 13 1 1 A 55 55 GLN CB C 55 28.100 28.552 -0.452 1
1 716 . 13 1 1 A 55 55 GLN N N 55 118.000 118.810 -0.810 1
1 718 . 13 1 1 A 56 56 ALA H H 56 8.280 7.790 0.490 1
1 719 . 13 1 1 A 56 56 ALA HA H 56 4.190 4.055 0.135 1
1 723 . 13 1 1 A 56 56 ALA C C 56 181.200 180.321 0.879 1
1 724 . 13 1 1 A 56 56 ALA CA C 56 55.200 55.190 0.010 1
1 725 . 13 1 1 A 56 56 ALA CB C 56 17.900 18.322 -0.422 1
1 726 . 13 1 1 A 56 56 ALA N N 56 122.300 122.099 0.201 1
1 727 . 13 1 1 A 57 57 VAL H H 57 8.150 8.441 -0.291 1
1 728 . 13 1 1 A 57 57 VAL HA H 57 3.740 3.549 0.191 1
1 736 . 13 1 1 A 57 57 VAL C C 57 178.900 178.119 0.781 1
1 737 . 13 1 1 A 57 57 VAL CA C 57 66.700 66.647 0.053 1
1 738 . 13 1 1 A 57 57 VAL CB C 57 31.700 31.635 0.065 1
1 741 . 13 1 1 A 57 57 VAL N N 57 119.600 118.544 1.056 1
1 742 . 13 1 1 A 58 58 ALA H H 58 8.370 8.426 -0.056 1
1 743 . 13 1 1 A 58 58 ALA HA H 58 3.910 4.050 -0.140 1
1 747 . 13 1 1 A 58 58 ALA C C 58 179.500 179.928 -0.428 1
1 748 . 13 1 1 A 58 58 ALA CA C 58 55.800 55.972 -0.172 1
1 749 . 13 1 1 A 58 58 ALA CB C 58 18.500 18.629 -0.129 1
1 750 . 13 1 1 A 58 58 ALA N N 58 123.000 121.995 1.005 1
1 751 . 13 1 1 A 59 59 GLU H H 59 8.630 8.291 0.339 1
1 752 . 13 1 1 A 59 59 GLU HA H 59 4.100 3.972 0.128 1
1 757 . 13 1 1 A 59 59 GLU C C 59 179.400 179.221 0.179 1
1 758 . 13 1 1 A 59 59 GLU CA C 59 59.600 59.774 -0.174 1
1 759 . 13 1 1 A 59 59 GLU CB C 59 29.300 29.547 -0.247 1
1 761 . 13 1 1 A 59 59 GLU N N 59 118.400 117.694 0.706 1
1 762 . 13 1 1 A 60 60 GLN H H 60 8.280 8.487 -0.207 1
1 763 . 13 1 1 A 60 60 GLN HA H 60 4.090 4.096 -0.006 1
1 770 . 13 1 1 A 60 60 GLN C C 60 178.700 178.488 0.212 1
1 771 . 13 1 1 A 60 60 GLN CA C 60 59.100 58.812 0.288 1
1 772 . 13 1 1 A 60 60 GLN CB C 60 28.100 28.558 -0.458 1
1 775 . 13 1 1 A 60 60 GLN N N 60 120.400 118.531 1.869 1
1 777 . 13 1 1 A 61 61 PHE H H 61 8.400 8.849 -0.449 1
1 778 . 13 1 1 A 61 61 PHE HA H 61 4.160 4.299 -0.139 1
1 786 . 13 1 1 A 61 61 PHE C C 61 177.600 177.689 -0.089 1
1 787 . 13 1 1 A 61 61 PHE CA C 61 61.400 61.674 -0.274 1
1 788 . 13 1 1 A 61 61 PHE CB C 61 39.100 39.235 -0.135 1
1 794 . 13 1 1 A 61 61 PHE N N 61 122.000 121.023 0.977 1
1 795 . 13 1 1 A 62 62 ALA H H 62 8.620 8.701 -0.081 1
1 796 . 13 1 1 A 62 62 ALA HA H 62 3.980 3.922 0.058 1
1 800 . 13 1 1 A 62 62 ALA C C 62 179.700 179.782 -0.082 1
1 801 . 13 1 1 A 62 62 ALA CA C 62 55.500 55.281 0.219 1
1 802 . 13 1 1 A 62 62 ALA CB C 62 18.900 18.335 0.565 1
1 803 . 13 1 1 A 62 62 ALA N N 62 122.000 121.416 0.584 1
1 804 . 13 1 1 A 63 63 LYS H H 63 8.470 7.978 0.492 1
1 805 . 13 1 1 A 63 63 LYS HA H 63 4.050 3.974 0.076 1
1 814 . 13 1 1 A 63 63 LYS C C 63 179.200 178.409 0.791 1
1 815 . 13 1 1 A 63 63 LYS CA C 63 59.600 58.890 0.710 1
1 816 . 13 1 1 A 63 63 LYS CB C 63 32.600 32.389 0.211 1
1 820 . 13 1 1 A 63 63 LYS N N 63 119.500 118.519 0.981 1
1 821 . 13 1 1 A 64 64 ALA H H 64 8.000 8.007 -0.007 1
1 822 . 13 1 1 A 64 64 ALA HA H 64 4.100 4.025 0.075 1
1 826 . 13 1 1 A 64 64 ALA C C 64 180.700 180.044 0.656 1
1 827 . 13 1 1 A 64 64 ALA CA C 64 55.000 54.966 0.034 1
1 828 . 13 1 1 A 64 64 ALA CB C 64 17.700 18.252 -0.552 1
1 829 . 13 1 1 A 64 64 ALA N N 64 122.000 121.270 0.730 1
1 830 . 13 1 1 A 65 65 LEU H H 65 7.830 8.142 -0.312 1
1 831 . 13 1 1 A 65 65 LEU HA H 65 3.950 3.855 0.095 1
1 841 . 13 1 1 A 65 65 LEU C C 65 178.900 178.105 0.795 1
1 842 . 13 1 1 A 65 65 LEU CA C 65 57.800 57.611 0.189 1
1 843 . 13 1 1 A 65 65 LEU CB C 65 41.700 41.570 0.130 1
1 847 . 13 1 1 A 65 65 LEU N N 65 120.600 120.321 0.279 1
1 848 . 13 1 1 A 66 66 ALA H H 66 7.990 8.448 -0.458 1
1 849 . 13 1 1 A 66 66 ALA HA H 66 3.840 3.941 -0.101 1
1 853 . 13 1 1 A 66 66 ALA C C 66 180.300 179.497 0.803 1
1 854 . 13 1 1 A 66 66 ALA CA C 66 55.500 54.741 0.759 1
1 855 . 13 1 1 A 66 66 ALA CB C 66 17.900 18.149 -0.249 1
1 856 . 13 1 1 A 66 66 ALA N N 66 120.900 120.789 0.111 1
1 857 . 13 1 1 A 67 67 GLN H H 67 8.140 8.038 0.102 1
1 858 . 13 1 1 A 67 67 GLN HA H 67 4.070 3.986 0.084 1
1 865 . 13 1 1 A 67 67 GLN C C 67 178.400 178.390 0.010 1
1 866 . 13 1 1 A 67 67 GLN CA C 67 58.300 58.659 -0.359 1
1 867 . 13 1 1 A 67 67 GLN CB C 67 28.400 28.738 -0.338 1
1 870 . 13 1 1 A 67 67 GLN N N 67 116.600 119.580 -2.980 1
1 872 . 13 1 1 A 68 68 SER H H 68 8.120 8.437 -0.317 1
1 873 . 13 1 1 A 68 68 SER HA H 68 4.220 4.726 -0.506 1
1 876 . 13 1 1 A 68 68 SER C C 68 176.500 176.943 -0.443 1
1 877 . 13 1 1 A 68 68 SER CA C 68 61.500 61.166 0.334 1
1 878 . 13 1 1 A 68 68 SER CB C 68 63.000 62.768 0.232 1
1 879 . 13 1 1 A 68 68 SER N N 68 116.700 115.834 0.866 1
1 880 . 13 1 1 A 69 69 VAL H H 69 7.660 7.818 -0.158 1
1 881 . 13 1 1 A 69 69 VAL HA H 69 3.860 3.615 0.245 1
1 889 . 13 1 1 A 69 69 VAL C C 69 177.400 177.892 -0.492 1
1 890 . 13 1 1 A 69 69 VAL CA C 69 64.900 66.843 -1.943 1
1 891 . 13 1 1 A 69 69 VAL CB C 69 31.900 31.323 0.577 1
1 894 . 13 1 1 A 69 69 VAL N N 69 119.800 122.725 -2.925 1
1 895 . 13 1 1 A 70 70 LYS H H 70 7.860 8.048 -0.188 1
1 896 . 13 1 1 A 70 70 LYS HA H 70 4.040 4.170 -0.130 1
1 905 . 13 1 1 A 70 70 LYS C C 70 178.400 178.589 -0.189 1
1 906 . 13 1 1 A 70 70 LYS CA C 70 59.200 58.601 0.599 1
1 907 . 13 1 1 A 70 70 LYS CB C 70 32.800 32.555 0.245 1
1 911 . 13 1 1 A 70 70 LYS N N 70 121.300 120.854 0.446 1
1 912 . 13 1 1 A 71 71 SER H H 71 8.390 8.367 0.023 1
1 913 . 13 1 1 A 71 71 SER HA H 71 4.280 4.356 -0.076 1
1 916 . 13 1 1 A 71 71 SER C C 71 176.000 175.166 0.834 1
1 917 . 13 1 1 A 71 71 SER CA C 71 60.700 60.360 0.340 1
1 918 . 13 1 1 A 71 71 SER CB C 71 63.300 63.097 0.203 1
1 919 . 13 1 1 A 71 71 SER N N 71 114.400 114.451 -0.051 1
1 920 . 13 1 1 A 72 72 ASN H H 72 7.940 8.072 -0.132 1
1 921 . 13 1 1 A 72 72 ASN HA H 72 4.630 4.813 -0.183 1
1 926 . 13 1 1 A 72 72 ASN C C 72 176.700 176.965 -0.265 1
1 927 . 13 1 1 A 72 72 ASN CA C 72 55.000 53.859 1.141 1
1 928 . 13 1 1 A 72 72 ASN CB C 72 39.000 38.831 0.169 1
1 930 . 13 1 1 A 72 72 ASN N N 72 119.700 119.954 -0.254 1
1 932 . 13 1 1 A 73 73 LEU H H 73 7.900 7.510 0.390 1
1 933 . 13 1 1 A 73 73 LEU HA H 73 4.180 4.184 -0.004 1
1 943 . 13 1 1 A 73 73 LEU C C 73 178.400 176.751 1.649 1
1 944 . 13 1 1 A 73 73 LEU CA C 73 56.700 55.347 1.353 1
1 945 . 13 1 1 A 73 73 LEU CB C 73 42.300 42.200 0.100 1
1 949 . 13 1 1 A 73 73 LEU N N 73 121.000 118.059 2.941 1
1 950 . 13 1 1 A 74 74 GLU H H 74 8.060 7.452 0.608 1
1 951 . 13 1 1 A 74 74 GLU HA H 74 4.120 4.181 -0.061 1
1 956 . 13 1 1 A 74 74 GLU C C 74 177.100 176.001 1.099 1
1 957 . 13 1 1 A 74 74 GLU CA C 74 57.400 56.111 1.289 1
1 958 . 13 1 1 A 74 74 GLU CB C 74 29.900 30.017 -0.117 1
1 960 . 13 1 1 A 74 74 GLU N N 74 119.300 119.348 -0.048 1
1 961 . 13 1 1 A 75 75 HIS H H 75 8.140 8.649 -0.509 1
1 962 . 13 1 1 A 75 75 HIS HA H 75 4.590 4.820 -0.230 1
1 966 . 13 1 1 A 75 75 HIS C C 75 174.900 174.823 0.077 1
1 967 . 13 1 1 A 75 75 HIS CA C 75 56.100 55.762 0.338 1
1 968 . 13 1 1 A 75 75 HIS CB C 75 29.000 29.796 -0.796 1
1 970 . 13 1 1 A 75 75 HIS N N 75 117.500 121.846 -4.346 1
1 971 . 13 1 1 A 76 76 HIS H H 76 8.240 9.004 -0.764 1
1 972 . 13 1 1 A 76 76 HIS C C 76 174.500 174.161 0.339 1
1 973 . 13 1 1 A 76 76 HIS CA C 76 55.900 54.520 1.380 1
1 974 . 13 1 1 A 76 76 HIS CB C 76 29.300 27.395 1.905 1
1 975 . 13 1 1 A 76 76 HIS N N 76 118.300 124.075 -5.775 1
1 976 . 13 1 1 A 77 77 HIS H H 77 8.400 7.633 0.767 1
1 977 . 13 1 1 A 77 77 HIS HA H 77 4.640 4.940 -0.300 1
1 980 . 13 1 1 A 77 77 HIS C C 77 173.700 174.712 -1.012 1
1 981 . 13 1 1 A 77 77 HIS CA C 77 55.700 54.496 1.204 1
1 982 . 13 1 1 A 77 77 HIS CB C 77 29.700 33.955 -4.255 1
1 983 . 13 1 1 A 77 77 HIS N N 77 119.300 117.109 2.191 1
1 984 . 13 1 1 A 78 78 HIS H H 78 8.330 9.232 -0.902 1
1 985 . 13 1 1 A 78 78 HIS CA C 78 57.200 55.104 2.096 1
1 986 . 13 1 1 A 78 78 HIS CB C 78 29.900 29.539 0.361 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 4.140 4.802 -0.662 1
1 5 . 14 1 1 A 2 2 ALA C C 2 173.800 177.615 -3.815 1
1 6 . 14 1 1 A 2 2 ALA CA C 2 51.800 50.281 1.519 1
1 7 . 14 1 1 A 2 2 ALA CB C 2 19.600 20.650 -1.050 1
1 8 . 14 1 1 A 3 3 ILE H H 3 8.540 8.550 -0.010 1
1 9 . 14 1 1 A 3 3 ILE HA H 3 4.190 3.930 0.260 1
1 19 . 14 1 1 A 3 3 ILE C C 3 176.000 176.832 -0.832 1
1 20 . 14 1 1 A 3 3 ILE CA C 3 61.300 64.650 -3.350 1
1 21 . 14 1 1 A 3 3 ILE CB C 3 38.800 37.955 0.845 1
1 25 . 14 1 1 A 3 3 ILE N N 3 120.500 124.294 -3.794 1
1 26 . 14 1 1 A 4 4 GLN H H 4 8.570 7.717 0.853 1
1 27 . 14 1 1 A 4 4 GLN HA H 4 4.400 4.472 -0.072 1
1 34 . 14 1 1 A 4 4 GLN C C 4 175.700 175.643 0.057 1
1 35 . 14 1 1 A 4 4 GLN CA C 4 55.800 55.079 0.721 1
1 36 . 14 1 1 A 4 4 GLN CB C 4 29.600 29.726 -0.126 1
1 39 . 14 1 1 A 4 4 GLN N N 4 125.100 121.365 3.735 1
1 41 . 14 1 1 A 5 5 SER H H 5 8.440 8.725 -0.285 1
1 42 . 14 1 1 A 5 5 SER HA H 5 4.420 4.498 -0.078 1
1 45 . 14 1 1 A 5 5 SER C C 5 174.300 175.698 -1.398 1
1 46 . 14 1 1 A 5 5 SER CA C 5 58.200 58.130 0.070 1
1 47 . 14 1 1 A 5 5 SER CB C 5 64.000 64.284 -0.284 1
1 48 . 14 1 1 A 5 5 SER N N 5 118.100 123.600 -5.500 1
1 49 . 14 1 1 A 6 6 LYS H H 6 8.320 8.291 0.029 1
1 50 . 14 1 1 A 6 6 LYS HA H 6 4.110 3.877 0.233 1
1 59 . 14 1 1 A 6 6 LYS C C 6 176.000 176.209 -0.209 1
1 60 . 14 1 1 A 6 6 LYS CA C 6 57.200 58.680 -1.480 1
1 61 . 14 1 1 A 6 6 LYS CB C 6 33.100 32.342 0.758 1
1 65 . 14 1 1 A 6 6 LYS N N 6 123.600 123.020 0.580 1
1 66 . 14 1 1 A 7 7 TYR H H 7 8.000 7.231 0.769 1
1 67 . 14 1 1 A 7 7 TYR HA H 7 4.800 5.010 -0.210 1
1 74 . 14 1 1 A 7 7 TYR C C 7 175.800 172.051 3.749 1
1 75 . 14 1 1 A 7 7 TYR CA C 7 57.000 56.301 0.699 1
1 76 . 14 1 1 A 7 7 TYR CB C 7 39.900 40.318 -0.418 1
1 81 . 14 1 1 A 7 7 TYR N N 7 118.900 114.963 3.937 1
1 82 . 14 1 1 A 8 8 SER H H 8 8.770 8.466 0.304 1
1 83 . 14 1 1 A 8 8 SER HA H 8 4.510 4.630 -0.120 1
1 86 . 14 1 1 A 8 8 SER C C 8 175.000 175.495 -0.495 1
1 87 . 14 1 1 A 8 8 SER CA C 8 57.500 57.163 0.337 1
1 88 . 14 1 1 A 8 8 SER CB C 8 64.700 64.021 0.679 1
1 89 . 14 1 1 A 8 8 SER N N 8 118.600 116.737 1.863 1
1 90 . 14 1 1 A 9 9 ASN H H 9 8.910 9.059 -0.149 1
1 91 . 14 1 1 A 9 9 ASN HA H 9 4.540 4.498 0.042 1
1 96 . 14 1 1 A 9 9 ASN C C 9 177.200 177.766 -0.566 1
1 97 . 14 1 1 A 9 9 ASN CA C 9 55.900 55.663 0.237 1
1 98 . 14 1 1 A 9 9 ASN CB C 9 38.200 37.576 0.624 1
1 100 . 14 1 1 A 9 9 ASN N N 9 121.400 125.891 -4.491 1
1 102 . 14 1 1 A 10 10 THR H H 10 8.180 7.421 0.759 1
1 103 . 14 1 1 A 10 10 THR HA H 10 4.070 4.022 0.048 1
1 108 . 14 1 1 A 10 10 THR C C 10 176.600 176.482 0.118 1
1 109 . 14 1 1 A 10 10 THR CA C 10 65.300 66.736 -1.436 1
1 110 . 14 1 1 A 10 10 THR CB C 10 68.800 68.510 0.290 1
1 112 . 14 1 1 A 10 10 THR N N 10 113.500 116.389 -2.889 1
1 113 . 14 1 1 A 11 11 GLN H H 11 7.950 8.145 -0.195 1
1 114 . 14 1 1 A 11 11 GLN HA H 11 4.160 3.906 0.254 1
1 121 . 14 1 1 A 11 11 GLN C C 11 178.400 178.464 -0.064 1
1 122 . 14 1 1 A 11 11 GLN CA C 11 59.000 59.076 -0.076 1
1 123 . 14 1 1 A 11 11 GLN CB C 11 29.200 28.365 0.835 1
1 126 . 14 1 1 A 11 11 GLN N N 11 122.500 120.984 1.516 1
1 128 . 14 1 1 A 12 12 VAL H H 12 7.850 8.315 -0.465 1
1 129 . 14 1 1 A 12 12 VAL HA H 12 3.540 3.407 0.133 1
1 137 . 14 1 1 A 12 12 VAL C C 12 177.400 177.822 -0.422 1
1 138 . 14 1 1 A 12 12 VAL CA C 12 66.400 66.774 -0.374 1
1 139 . 14 1 1 A 12 12 VAL CB C 12 32.300 31.255 1.045 1
1 142 . 14 1 1 A 12 12 VAL N N 12 119.000 120.008 -1.008 1
1 143 . 14 1 1 A 13 13 GLU H H 13 8.550 8.210 0.340 1
1 144 . 14 1 1 A 13 13 GLU HA H 13 3.910 3.893 0.017 1
1 149 . 14 1 1 A 13 13 GLU C C 13 179.500 178.362 1.138 1
1 150 . 14 1 1 A 13 13 GLU CA C 13 59.700 59.821 -0.121 1
1 151 . 14 1 1 A 13 13 GLU CB C 13 29.100 29.465 -0.365 1
1 153 . 14 1 1 A 13 13 GLU N N 13 118.300 120.619 -2.319 1
1 154 . 14 1 1 A 14 14 SER H H 14 8.080 8.028 0.052 1
1 155 . 14 1 1 A 14 14 SER HA H 14 4.260 4.236 0.024 1
1 158 . 14 1 1 A 14 14 SER C C 14 176.200 177.357 -1.157 1
1 159 . 14 1 1 A 14 14 SER CA C 14 61.700 61.145 0.555 1
1 160 . 14 1 1 A 14 14 SER CB C 14 62.800 62.942 -0.142 1
1 161 . 14 1 1 A 14 14 SER N N 14 114.600 114.502 0.098 1
1 162 . 14 1 1 A 15 15 LEU H H 15 7.110 8.192 -1.082 1
1 163 . 14 1 1 A 15 15 LEU HA H 15 3.690 4.024 -0.334 1
1 173 . 14 1 1 A 15 15 LEU C C 15 177.800 178.669 -0.869 1
1 174 . 14 1 1 A 15 15 LEU CA C 15 57.700 58.409 -0.709 1
1 175 . 14 1 1 A 15 15 LEU CB C 15 42.300 41.750 0.550 1
1 179 . 14 1 1 A 15 15 LEU N N 15 122.200 122.818 -0.618 1
1 180 . 14 1 1 A 16 16 ILE H H 16 8.030 8.335 -0.305 1
1 181 . 14 1 1 A 16 16 ILE HA H 16 3.220 3.662 -0.442 1
1 191 . 14 1 1 A 16 16 ILE C C 16 177.200 177.785 -0.585 1
1 192 . 14 1 1 A 16 16 ILE CA C 16 66.000 65.809 0.191 1
1 193 . 14 1 1 A 16 16 ILE CB C 16 39.100 37.760 1.340 1
1 197 . 14 1 1 A 16 16 ILE N N 16 117.900 119.812 -1.912 1
1 198 . 14 1 1 A 17 17 ALA H H 17 7.960 8.560 -0.600 1
1 199 . 14 1 1 A 17 17 ALA HA H 17 3.930 3.959 -0.029 1
1 203 . 14 1 1 A 17 17 ALA C C 17 180.600 179.934 0.666 1
1 204 . 14 1 1 A 17 17 ALA CA C 17 55.400 55.968 -0.568 1
1 205 . 14 1 1 A 17 17 ALA CB C 17 18.000 18.338 -0.338 1
1 206 . 14 1 1 A 17 17 ALA N N 17 118.300 122.199 -3.899 1
1 207 . 14 1 1 A 18 18 GLU H H 18 7.630 7.764 -0.134 1
1 208 . 14 1 1 A 18 18 GLU HA H 18 4.030 3.983 0.047 1
1 213 . 14 1 1 A 18 18 GLU C C 18 179.400 179.607 -0.207 1
1 214 . 14 1 1 A 18 18 GLU CA C 18 59.800 59.447 0.353 1
1 215 . 14 1 1 A 18 18 GLU CB C 18 30.300 29.520 0.780 1
1 217 . 14 1 1 A 18 18 GLU N N 18 116.300 117.897 -1.597 1
1 218 . 14 1 1 A 19 19 ILE H H 19 8.110 7.718 0.392 1
1 219 . 14 1 1 A 19 19 ILE HA H 19 3.590 3.610 -0.020 1
1 229 . 14 1 1 A 19 19 ILE C C 19 177.800 178.500 -0.700 1
1 230 . 14 1 1 A 19 19 ILE CA C 19 66.500 65.726 0.774 1
1 231 . 14 1 1 A 19 19 ILE CB C 19 37.500 37.648 -0.148 1
1 235 . 14 1 1 A 19 19 ILE N N 19 121.100 120.153 0.947 1
1 236 . 14 1 1 A 20 20 LEU H H 20 8.480 8.277 0.203 1
1 237 . 14 1 1 A 20 20 LEU HA H 20 4.020 4.008 0.012 1
1 247 . 14 1 1 A 20 20 LEU C C 20 180.500 178.512 1.988 1
1 248 . 14 1 1 A 20 20 LEU CA C 20 58.600 58.165 0.435 1
1 249 . 14 1 1 A 20 20 LEU CB C 20 40.400 41.850 -1.450 1
1 253 . 14 1 1 A 20 20 LEU N N 20 118.300 118.976 -0.676 1
1 254 . 14 1 1 A 21 21 VAL H H 21 7.810 8.097 -0.287 1
1 255 . 14 1 1 A 21 21 VAL HA H 21 3.770 3.563 0.207 1
1 263 . 14 1 1 A 21 21 VAL C C 21 178.200 178.267 -0.067 1
1 264 . 14 1 1 A 21 21 VAL CA C 21 66.800 66.215 0.585 1
1 265 . 14 1 1 A 21 21 VAL CB C 21 31.600 31.512 0.088 1
1 268 . 14 1 1 A 21 21 VAL N N 21 119.700 119.189 0.511 1
1 269 . 14 1 1 A 22 22 VAL H H 22 7.530 7.918 -0.388 1
1 270 . 14 1 1 A 22 22 VAL HA H 22 3.610 3.355 0.255 1
1 278 . 14 1 1 A 22 22 VAL C C 22 178.500 177.528 0.972 1
1 279 . 14 1 1 A 22 22 VAL CA C 22 67.300 66.723 0.577 1
1 280 . 14 1 1 A 22 22 VAL CB C 22 31.500 31.341 0.159 1
1 283 . 14 1 1 A 22 22 VAL N N 22 121.400 120.630 0.770 1
1 284 . 14 1 1 A 23 23 LEU H H 23 7.610 7.947 -0.337 1
1 285 . 14 1 1 A 23 23 LEU HA H 23 3.880 3.890 -0.010 1
1 295 . 14 1 1 A 23 23 LEU C C 23 179.700 179.384 0.316 1
1 296 . 14 1 1 A 23 23 LEU CA C 23 58.400 57.872 0.528 1
1 297 . 14 1 1 A 23 23 LEU CB C 23 40.900 40.606 0.294 1
1 301 . 14 1 1 A 23 23 LEU N N 23 116.800 120.123 -3.323 1
1 302 . 14 1 1 A 24 24 GLU H H 24 8.160 8.324 -0.164 1
1 303 . 14 1 1 A 24 24 GLU HA H 24 4.170 3.883 0.287 1
1 308 . 14 1 1 A 24 24 GLU C C 24 180.900 179.496 1.404 1
1 309 . 14 1 1 A 24 24 GLU CA C 24 59.000 59.940 -0.940 1
1 310 . 14 1 1 A 24 24 GLU CB C 24 29.700 29.079 0.621 1
1 312 . 14 1 1 A 24 24 GLU N N 24 119.200 120.639 -1.439 1
1 313 . 14 1 1 A 25 25 LYS H H 25 8.980 8.083 0.897 1
1 314 . 14 1 1 A 25 25 LYS HA H 25 4.050 4.107 -0.057 1
1 323 . 14 1 1 A 25 25 LYS C C 25 178.600 178.326 0.274 1
1 324 . 14 1 1 A 25 25 LYS CA C 25 59.300 58.410 0.890 1
1 325 . 14 1 1 A 25 25 LYS CB C 25 32.100 32.046 0.054 1
1 329 . 14 1 1 A 25 25 LYS N N 25 122.900 119.180 3.720 1
1 330 . 14 1 1 A 26 26 HIS H H 26 7.400 7.120 0.280 1
1 331 . 14 1 1 A 26 26 HIS HA H 26 4.460 4.587 -0.127 1
1 336 . 14 1 1 A 26 26 HIS C C 26 173.600 174.464 -0.864 1
1 337 . 14 1 1 A 26 26 HIS CA C 26 56.500 57.504 -1.004 1
1 338 . 14 1 1 A 26 26 HIS CB C 26 29.200 30.446 -1.246 1
1 341 . 14 1 1 A 26 26 HIS N N 26 113.800 115.989 -2.189 1
1 342 . 14 1 1 A 27 27 LYS H H 27 8.200 7.804 0.396 1
1 343 . 14 1 1 A 27 27 LYS HA H 27 3.950 3.734 0.216 1
1 352 . 14 1 1 A 27 27 LYS C C 27 176.500 175.506 0.994 1
1 353 . 14 1 1 A 27 27 LYS CA C 27 56.600 57.282 -0.682 1
1 354 . 14 1 1 A 27 27 LYS CB C 27 29.600 29.607 -0.007 1
1 358 . 14 1 1 A 27 27 LYS N N 27 119.500 115.915 3.585 1
1 359 . 14 1 1 A 28 28 ALA H H 28 7.760 7.295 0.465 1
1 360 . 14 1 1 A 28 28 ALA HA H 28 4.490 4.498 -0.008 1
1 364 . 14 1 1 A 28 28 ALA CA C 28 51.000 50.724 0.276 1
1 365 . 14 1 1 A 28 28 ALA CB C 28 19.200 18.891 0.309 1
1 366 . 14 1 1 A 28 28 ALA N N 28 121.500 120.943 0.557 1
1 367 . 14 1 1 A 29 29 PRO HA H 29 4.720 4.550 0.170 1
1 374 . 14 1 1 A 29 29 PRO C C 29 177.400 177.389 0.011 1
1 375 . 14 1 1 A 29 29 PRO CA C 29 62.100 62.571 -0.471 1
1 376 . 14 1 1 A 29 29 PRO CB C 29 33.000 33.018 -0.018 1
1 379 . 14 1 1 A 30 30 THR H H 30 8.830 8.428 0.402 1
1 380 . 14 1 1 A 30 30 THR HA H 30 3.680 3.940 -0.260 1
1 385 . 14 1 1 A 30 30 THR C C 30 175.200 175.703 -0.503 1
1 386 . 14 1 1 A 30 30 THR CA C 30 67.400 65.619 1.781 1
1 387 . 14 1 1 A 30 30 THR CB C 30 68.500 68.558 -0.058 1
1 389 . 14 1 1 A 30 30 THR N N 30 120.400 117.114 3.286 1
1 390 . 14 1 1 A 31 31 ASP H H 31 8.880 8.185 0.695 1
1 391 . 14 1 1 A 31 31 ASP HA H 31 4.220 4.313 -0.093 1
1 394 . 14 1 1 A 31 31 ASP C C 31 179.000 178.627 0.373 1
1 395 . 14 1 1 A 31 31 ASP CA C 31 57.400 57.141 0.259 1
1 396 . 14 1 1 A 31 31 ASP CB C 31 38.700 40.711 -2.011 1
1 397 . 14 1 1 A 31 31 ASP N N 31 118.600 121.241 -2.641 1
1 398 . 14 1 1 A 32 32 LEU H H 32 7.540 7.923 -0.383 1
1 399 . 14 1 1 A 32 32 LEU HA H 32 3.970 4.015 -0.045 1
1 409 . 14 1 1 A 32 32 LEU C C 32 178.100 178.852 -0.752 1
1 410 . 14 1 1 A 32 32 LEU CA C 32 57.500 57.450 0.050 1
1 411 . 14 1 1 A 32 32 LEU CB C 32 40.600 41.283 -0.683 1
1 415 . 14 1 1 A 32 32 LEU N N 32 124.300 121.561 2.739 1
1 416 . 14 1 1 A 33 33 SER H H 33 8.420 8.197 0.223 1
1 417 . 14 1 1 A 33 33 SER HA H 33 3.860 4.183 -0.323 1
1 420 . 14 1 1 A 33 33 SER C C 33 175.900 177.508 -1.608 1
1 421 . 14 1 1 A 33 33 SER CA C 33 63.100 61.569 1.531 1
1 422 . 14 1 1 A 33 33 SER CB C 33 62.900 63.095 -0.195 1
1 423 . 14 1 1 A 33 33 SER N N 33 116.000 115.015 0.985 1
1 424 . 14 1 1 A 34 34 LEU H H 34 8.400 8.378 0.022 1
1 425 . 14 1 1 A 34 34 LEU HA H 34 4.010 4.028 -0.018 1
1 435 . 14 1 1 A 34 34 LEU C C 34 179.500 179.299 0.201 1
1 436 . 14 1 1 A 34 34 LEU CA C 34 58.700 57.876 0.824 1
1 437 . 14 1 1 A 34 34 LEU CB C 34 41.500 41.158 0.342 1
1 441 . 14 1 1 A 34 34 LEU N N 34 120.400 121.586 -1.186 1
1 442 . 14 1 1 A 35 35 MET H H 35 7.970 8.414 -0.444 1
1 443 . 14 1 1 A 35 35 MET HA H 35 4.210 4.201 0.009 1
1 451 . 14 1 1 A 35 35 MET C C 35 178.900 178.158 0.742 1
1 452 . 14 1 1 A 35 35 MET CA C 35 59.100 58.483 0.617 1
1 453 . 14 1 1 A 35 35 MET CB C 35 33.100 32.483 0.617 1
1 456 . 14 1 1 A 35 35 MET N N 35 120.300 117.541 2.759 1
1 457 . 14 1 1 A 36 36 ALA H H 36 8.710 8.041 0.669 1
1 458 . 14 1 1 A 36 36 ALA HA H 36 3.900 4.082 -0.182 1
1 462 . 14 1 1 A 36 36 ALA C C 36 179.700 179.953 -0.253 1
1 463 . 14 1 1 A 36 36 ALA CA C 36 55.400 55.132 0.268 1
1 464 . 14 1 1 A 36 36 ALA CB C 36 18.600 18.383 0.217 1
1 465 . 14 1 1 A 36 36 ALA N N 36 121.700 121.317 0.383 1
1 466 . 14 1 1 A 37 37 LEU H H 37 8.750 8.353 0.397 1
1 467 . 14 1 1 A 37 37 LEU HA H 37 3.980 4.076 -0.096 1
1 477 . 14 1 1 A 37 37 LEU C C 37 179.600 179.275 0.325 1
1 478 . 14 1 1 A 37 37 LEU CA C 37 59.000 58.124 0.876 1
1 479 . 14 1 1 A 37 37 LEU CB C 37 42.000 42.046 -0.046 1
1 483 . 14 1 1 A 37 37 LEU N N 37 118.100 119.304 -1.204 1
1 484 . 14 1 1 A 38 38 GLY H H 38 8.780 8.327 0.453 1
1 485 . 14 1 1 A 38 38 GLY HA2 H 38 3.650 3.816 -0.166 1
1 486 . 14 1 1 A 38 38 GLY HA3 H 38 3.940 3.822 0.118 1
1 487 . 14 1 1 A 38 38 GLY C C 38 175.600 176.522 -0.922 1
1 488 . 14 1 1 A 38 38 GLY CA C 38 48.300 47.298 1.002 1
1 489 . 14 1 1 A 38 38 GLY N N 38 105.600 104.878 0.722 1
1 490 . 14 1 1 A 39 39 ASN H H 39 8.180 7.498 0.682 1
1 491 . 14 1 1 A 39 39 ASN HA H 39 4.550 4.474 0.076 1
1 496 . 14 1 1 A 39 39 ASN C C 39 178.400 177.759 0.641 1
1 497 . 14 1 1 A 39 39 ASN CA C 39 56.000 56.085 -0.085 1
1 498 . 14 1 1 A 39 39 ASN CB C 39 39.200 38.480 0.720 1
1 500 . 14 1 1 A 39 39 ASN N N 39 120.000 119.858 0.142 1
1 502 . 14 1 1 A 40 40 CYS H H 40 8.420 8.265 0.155 1
1 503 . 14 1 1 A 40 40 CYS HA H 40 4.010 4.162 -0.152 1
1 506 . 14 1 1 A 40 40 CYS C C 40 176.000 177.270 -1.270 1
1 507 . 14 1 1 A 40 40 CYS CA C 40 65.300 62.137 3.163 1
1 508 . 14 1 1 A 40 40 CYS CB C 40 27.200 27.456 -0.256 1
1 509 . 14 1 1 A 40 40 CYS N N 40 120.200 118.798 1.402 1
1 510 . 14 1 1 A 41 41 VAL H H 41 7.830 8.164 -0.334 1
1 511 . 14 1 1 A 41 41 VAL HA H 41 3.250 3.408 -0.158 1
1 519 . 14 1 1 A 41 41 VAL C C 41 177.500 178.471 -0.971 1
1 520 . 14 1 1 A 41 41 VAL CA C 41 67.500 66.958 0.542 1
1 521 . 14 1 1 A 41 41 VAL CB C 41 30.800 31.488 -0.688 1
1 524 . 14 1 1 A 41 41 VAL N N 41 119.400 121.498 -2.098 1
1 525 . 14 1 1 A 42 42 THR H H 42 8.270 7.755 0.515 1
1 526 . 14 1 1 A 42 42 THR HA H 42 3.520 3.818 -0.298 1
1 531 . 14 1 1 A 42 42 THR C C 42 176.200 176.057 0.143 1
1 532 . 14 1 1 A 42 42 THR CA C 42 67.800 66.665 1.135 1
1 533 . 14 1 1 A 42 42 THR CB C 42 67.800 68.484 -0.684 1
1 535 . 14 1 1 A 42 42 THR N N 42 113.600 116.170 -2.570 1
1 536 . 14 1 1 A 43 43 HIS H H 43 8.250 7.934 0.316 1
1 537 . 14 1 1 A 43 43 HIS HA H 43 4.310 4.089 0.221 1
1 542 . 14 1 1 A 43 43 HIS C C 43 177.200 177.403 -0.203 1
1 543 . 14 1 1 A 43 43 HIS CA C 43 59.300 60.008 -0.708 1
1 544 . 14 1 1 A 43 43 HIS CB C 43 28.900 29.689 -0.789 1
1 547 . 14 1 1 A 43 43 HIS N N 43 120.000 122.768 -2.768 1
1 550 . 14 1 1 A 44 44 LEU H H 44 8.070 8.205 -0.135 1
1 551 . 14 1 1 A 44 44 LEU HA H 44 3.960 3.799 0.161 1
1 561 . 14 1 1 A 44 44 LEU C C 44 179.300 179.513 -0.213 1
1 562 . 14 1 1 A 44 44 LEU CA C 44 58.400 58.236 0.164 1
1 563 . 14 1 1 A 44 44 LEU CB C 44 42.200 41.663 0.537 1
1 567 . 14 1 1 A 44 44 LEU N N 44 119.400 120.363 -0.963 1
1 568 . 14 1 1 A 45 45 LEU H H 45 8.410 7.421 0.989 1
1 569 . 14 1 1 A 45 45 LEU HA H 45 3.850 4.122 -0.272 1
1 579 . 14 1 1 A 45 45 LEU C C 45 178.700 179.242 -0.542 1
1 580 . 14 1 1 A 45 45 LEU CA C 45 58.200 56.903 1.297 1
1 581 . 14 1 1 A 45 45 LEU CB C 45 41.800 41.282 0.518 1
1 585 . 14 1 1 A 45 45 LEU N N 45 118.100 115.309 2.791 1
1 586 . 14 1 1 A 46 46 GLU H H 46 8.120 7.620 0.500 1
1 587 . 14 1 1 A 46 46 GLU HA H 46 3.740 3.964 -0.224 1
1 592 . 14 1 1 A 46 46 GLU C C 46 178.000 178.144 -0.144 1
1 593 . 14 1 1 A 46 46 GLU CA C 46 58.900 58.986 -0.086 1
1 594 . 14 1 1 A 46 46 GLU CB C 46 29.700 29.755 -0.055 1
1 596 . 14 1 1 A 46 46 GLU N N 46 115.000 119.319 -4.319 1
1 597 . 14 1 1 A 47 47 ARG H H 47 7.740 7.690 0.050 1
1 598 . 14 1 1 A 47 47 ARG HA H 47 4.270 4.093 0.177 1
1 606 . 14 1 1 A 47 47 ARG C C 47 178.500 177.437 1.063 1
1 607 . 14 1 1 A 47 47 ARG CA C 47 57.000 57.883 -0.883 1
1 608 . 14 1 1 A 47 47 ARG CB C 47 31.600 30.267 1.333 1
1 611 . 14 1 1 A 47 47 ARG N N 47 114.000 119.375 -5.375 1
1 613 . 14 1 1 A 48 48 LYS H H 48 8.210 7.395 0.815 1
1 614 . 14 1 1 A 48 48 LYS HA H 48 4.620 4.474 0.146 1
1 623 . 14 1 1 A 48 48 LYS C C 48 176.400 175.032 1.368 1
1 624 . 14 1 1 A 48 48 LYS CA C 48 55.500 55.816 -0.316 1
1 625 . 14 1 1 A 48 48 LYS CB C 48 34.500 34.408 0.092 1
1 629 . 14 1 1 A 48 48 LYS N N 48 114.000 116.645 -2.645 1
1 630 . 14 1 1 A 49 49 VAL H H 49 7.630 7.587 0.043 1
1 631 . 14 1 1 A 49 49 VAL HA H 49 4.710 4.505 0.205 1
1 639 . 14 1 1 A 49 49 VAL CA C 49 59.400 58.496 0.904 1
1 640 . 14 1 1 A 49 49 VAL CB C 49 33.600 34.845 -1.245 1
1 643 . 14 1 1 A 49 49 VAL N N 49 121.800 118.949 2.851 1
1 644 . 14 1 1 A 50 50 PRO HA H 50 4.460 4.519 -0.059 1
1 651 . 14 1 1 A 50 50 PRO C C 50 177.900 177.602 0.298 1
1 652 . 14 1 1 A 50 50 PRO CA C 50 63.200 62.684 0.516 1
1 653 . 14 1 1 A 50 50 PRO CB C 50 32.900 32.749 0.151 1
1 656 . 14 1 1 A 51 51 SER H H 51 8.950 8.735 0.215 1
1 657 . 14 1 1 A 51 51 SER HA H 51 3.910 4.177 -0.267 1
1 660 . 14 1 1 A 51 51 SER C C 51 176.300 176.784 -0.484 1
1 661 . 14 1 1 A 51 51 SER CA C 51 62.800 61.636 1.164 1
1 662 . 14 1 1 A 51 51 SER CB C 51 62.700 62.931 -0.231 1
1 663 . 14 1 1 A 51 51 SER N N 51 119.000 118.665 0.335 1
1 664 . 14 1 1 A 52 52 GLU H H 52 9.480 8.039 1.441 1
1 665 . 14 1 1 A 52 52 GLU HA H 52 4.220 4.075 0.145 1
1 670 . 14 1 1 A 52 52 GLU C C 52 177.000 178.138 -1.138 1
1 671 . 14 1 1 A 52 52 GLU CA C 52 59.200 59.151 0.049 1
1 672 . 14 1 1 A 52 52 GLU CB C 52 28.700 29.666 -0.966 1
1 674 . 14 1 1 A 52 52 GLU N N 52 118.900 122.319 -3.419 1
1 675 . 14 1 1 A 53 53 SER H H 53 7.770 7.681 0.089 1
1 676 . 14 1 1 A 53 53 SER HA H 53 4.940 4.451 0.489 1
1 679 . 14 1 1 A 53 53 SER C C 53 174.200 176.297 -2.097 1
1 680 . 14 1 1 A 53 53 SER CA C 53 58.200 59.693 -1.493 1
1 681 . 14 1 1 A 53 53 SER CB C 53 64.800 64.103 0.697 1
1 682 . 14 1 1 A 53 53 SER N N 53 112.500 115.132 -2.632 1
1 683 . 14 1 1 A 54 54 ARG H H 54 7.380 8.159 -0.779 1
1 684 . 14 1 1 A 54 54 ARG HA H 54 3.630 3.912 -0.282 1
1 696 . 14 1 1 A 54 54 ARG C C 54 177.200 178.786 -1.586 1
1 697 . 14 1 1 A 54 54 ARG CA C 54 61.400 59.873 1.527 1
1 698 . 14 1 1 A 54 54 ARG CB C 54 31.200 29.673 1.527 1
1 701 . 14 1 1 A 54 54 ARG N N 54 122.100 122.692 -0.592 1
1 703 . 14 1 1 A 55 55 GLN H H 55 9.010 7.666 1.344 1
1 704 . 14 1 1 A 55 55 GLN HA H 55 3.840 4.037 -0.197 1
1 711 . 14 1 1 A 55 55 GLN C C 55 178.000 178.426 -0.426 1
1 712 . 14 1 1 A 55 55 GLN CA C 55 59.700 58.664 1.036 1
1 713 . 14 1 1 A 55 55 GLN CB C 55 28.100 28.380 -0.280 1
1 716 . 14 1 1 A 55 55 GLN N N 55 118.000 118.128 -0.128 1
1 718 . 14 1 1 A 56 56 ALA H H 56 8.280 7.793 0.487 1
1 719 . 14 1 1 A 56 56 ALA HA H 56 4.190 4.103 0.087 1
1 723 . 14 1 1 A 56 56 ALA C C 56 181.200 180.094 1.106 1
1 724 . 14 1 1 A 56 56 ALA CA C 56 55.200 55.021 0.179 1
1 725 . 14 1 1 A 56 56 ALA CB C 56 17.900 18.378 -0.478 1
1 726 . 14 1 1 A 56 56 ALA N N 56 122.300 122.784 -0.484 1
1 727 . 14 1 1 A 57 57 VAL H H 57 8.150 8.157 -0.007 1
1 728 . 14 1 1 A 57 57 VAL HA H 57 3.740 3.482 0.258 1
1 736 . 14 1 1 A 57 57 VAL C C 57 178.900 178.218 0.682 1
1 737 . 14 1 1 A 57 57 VAL CA C 57 66.700 66.718 -0.018 1
1 738 . 14 1 1 A 57 57 VAL CB C 57 31.700 31.450 0.250 1
1 741 . 14 1 1 A 57 57 VAL N N 57 119.600 118.947 0.653 1
1 742 . 14 1 1 A 58 58 ALA H H 58 8.370 7.829 0.541 1
1 743 . 14 1 1 A 58 58 ALA HA H 58 3.910 3.983 -0.073 1
1 747 . 14 1 1 A 58 58 ALA C C 58 179.500 179.079 0.421 1
1 748 . 14 1 1 A 58 58 ALA CA C 58 55.800 55.985 -0.185 1
1 749 . 14 1 1 A 58 58 ALA CB C 58 18.500 18.640 -0.140 1
1 750 . 14 1 1 A 58 58 ALA N N 58 123.000 122.139 0.861 1
1 751 . 14 1 1 A 59 59 GLU H H 59 8.630 8.020 0.610 1
1 752 . 14 1 1 A 59 59 GLU HA H 59 4.100 4.049 0.051 1
1 757 . 14 1 1 A 59 59 GLU C C 59 179.400 179.282 0.118 1
1 758 . 14 1 1 A 59 59 GLU CA C 59 59.600 59.676 -0.076 1
1 759 . 14 1 1 A 59 59 GLU CB C 59 29.300 29.111 0.189 1
1 761 . 14 1 1 A 59 59 GLU N N 59 118.400 118.293 0.107 1
1 762 . 14 1 1 A 60 60 GLN H H 60 8.280 8.265 0.015 1
1 763 . 14 1 1 A 60 60 GLN HA H 60 4.090 4.097 -0.007 1
1 770 . 14 1 1 A 60 60 GLN C C 60 178.700 178.546 0.154 1
1 771 . 14 1 1 A 60 60 GLN CA C 60 59.100 58.885 0.215 1
1 772 . 14 1 1 A 60 60 GLN CB C 60 28.100 28.404 -0.304 1
1 775 . 14 1 1 A 60 60 GLN N N 60 120.400 118.199 2.201 1
1 777 . 14 1 1 A 61 61 PHE H H 61 8.400 8.638 -0.238 1
1 778 . 14 1 1 A 61 61 PHE HA H 61 4.160 4.154 0.006 1
1 786 . 14 1 1 A 61 61 PHE C C 61 177.600 177.565 0.035 1
1 787 . 14 1 1 A 61 61 PHE CA C 61 61.400 61.796 -0.396 1
1 788 . 14 1 1 A 61 61 PHE CB C 61 39.100 39.032 0.068 1
1 794 . 14 1 1 A 61 61 PHE N N 61 122.000 122.159 -0.159 1
1 795 . 14 1 1 A 62 62 ALA H H 62 8.620 8.645 -0.025 1
1 796 . 14 1 1 A 62 62 ALA HA H 62 3.980 4.012 -0.032 1
1 800 . 14 1 1 A 62 62 ALA C C 62 179.700 179.824 -0.124 1
1 801 . 14 1 1 A 62 62 ALA CA C 62 55.500 55.554 -0.054 1
1 802 . 14 1 1 A 62 62 ALA CB C 62 18.900 18.076 0.824 1
1 803 . 14 1 1 A 62 62 ALA N N 62 122.000 121.558 0.442 1
1 804 . 14 1 1 A 63 63 LYS H H 63 8.470 8.064 0.406 1
1 805 . 14 1 1 A 63 63 LYS HA H 63 4.050 3.955 0.095 1
1 814 . 14 1 1 A 63 63 LYS C C 63 179.200 178.837 0.363 1
1 815 . 14 1 1 A 63 63 LYS CA C 63 59.600 58.716 0.884 1
1 816 . 14 1 1 A 63 63 LYS CB C 63 32.600 31.399 1.201 1
1 820 . 14 1 1 A 63 63 LYS N N 63 119.500 116.594 2.906 1
1 821 . 14 1 1 A 64 64 ALA H H 64 8.000 7.734 0.266 1
1 822 . 14 1 1 A 64 64 ALA HA H 64 4.100 4.035 0.065 1
1 826 . 14 1 1 A 64 64 ALA C C 64 180.700 180.084 0.616 1
1 827 . 14 1 1 A 64 64 ALA CA C 64 55.000 55.041 -0.041 1
1 828 . 14 1 1 A 64 64 ALA CB C 64 17.700 17.864 -0.164 1
1 829 . 14 1 1 A 64 64 ALA N N 64 122.000 121.987 0.013 1
1 830 . 14 1 1 A 65 65 LEU H H 65 7.830 7.902 -0.072 1
1 831 . 14 1 1 A 65 65 LEU HA H 65 3.950 3.928 0.022 1
1 841 . 14 1 1 A 65 65 LEU C C 65 178.900 178.461 0.439 1
1 842 . 14 1 1 A 65 65 LEU CA C 65 57.800 57.259 0.541 1
1 843 . 14 1 1 A 65 65 LEU CB C 65 41.700 41.350 0.350 1
1 847 . 14 1 1 A 65 65 LEU N N 65 120.600 119.942 0.658 1
1 848 . 14 1 1 A 66 66 ALA H H 66 7.990 8.803 -0.813 1
1 849 . 14 1 1 A 66 66 ALA HA H 66 3.840 4.038 -0.198 1
1 853 . 14 1 1 A 66 66 ALA C C 66 180.300 180.244 0.056 1
1 854 . 14 1 1 A 66 66 ALA CA C 66 55.500 55.645 -0.145 1
1 855 . 14 1 1 A 66 66 ALA CB C 66 17.900 18.260 -0.360 1
1 856 . 14 1 1 A 66 66 ALA N N 66 120.900 121.480 -0.580 1
1 857 . 14 1 1 A 67 67 GLN H H 67 8.140 8.828 -0.688 1
1 858 . 14 1 1 A 67 67 GLN HA H 67 4.070 4.020 0.050 1
1 865 . 14 1 1 A 67 67 GLN C C 67 178.400 178.792 -0.392 1
1 866 . 14 1 1 A 67 67 GLN CA C 67 58.300 58.678 -0.378 1
1 867 . 14 1 1 A 67 67 GLN CB C 67 28.400 28.384 0.016 1
1 870 . 14 1 1 A 67 67 GLN N N 67 116.600 116.730 -0.130 1
1 872 . 14 1 1 A 68 68 SER H H 68 8.120 7.940 0.180 1
1 873 . 14 1 1 A 68 68 SER HA H 68 4.220 4.160 0.060 1
1 876 . 14 1 1 A 68 68 SER C C 68 176.500 176.666 -0.166 1
1 877 . 14 1 1 A 68 68 SER CA C 68 61.500 62.653 -1.153 1
1 878 . 14 1 1 A 68 68 SER CB C 68 63.000 63.018 -0.018 1
1 879 . 14 1 1 A 68 68 SER N N 68 116.700 116.998 -0.298 1
1 880 . 14 1 1 A 69 69 VAL H H 69 7.660 7.921 -0.261 1
1 881 . 14 1 1 A 69 69 VAL HA H 69 3.860 3.497 0.363 1
1 889 . 14 1 1 A 69 69 VAL C C 69 177.400 177.786 -0.386 1
1 890 . 14 1 1 A 69 69 VAL CA C 69 64.900 66.989 -2.089 1
1 891 . 14 1 1 A 69 69 VAL CB C 69 31.900 31.523 0.377 1
1 894 . 14 1 1 A 69 69 VAL N N 69 119.800 121.548 -1.748 1
1 895 . 14 1 1 A 70 70 LYS H H 70 7.860 8.435 -0.575 1
1 896 . 14 1 1 A 70 70 LYS HA H 70 4.040 4.125 -0.085 1
1 905 . 14 1 1 A 70 70 LYS C C 70 178.400 179.458 -1.058 1
1 906 . 14 1 1 A 70 70 LYS CA C 70 59.200 59.460 -0.260 1
1 907 . 14 1 1 A 70 70 LYS CB C 70 32.800 31.992 0.808 1
1 911 . 14 1 1 A 70 70 LYS N N 70 121.300 119.833 1.467 1
1 912 . 14 1 1 A 71 71 SER H H 71 8.390 8.128 0.262 1
1 913 . 14 1 1 A 71 71 SER HA H 71 4.280 4.483 -0.203 1
1 916 . 14 1 1 A 71 71 SER C C 71 176.000 176.111 -0.111 1
1 917 . 14 1 1 A 71 71 SER CA C 71 60.700 61.632 -0.932 1
1 918 . 14 1 1 A 71 71 SER CB C 71 63.300 63.037 0.263 1
1 919 . 14 1 1 A 71 71 SER N N 71 114.400 116.980 -2.580 1
1 920 . 14 1 1 A 72 72 ASN H H 72 7.940 8.093 -0.153 1
1 921 . 14 1 1 A 72 72 ASN HA H 72 4.630 4.590 0.040 1
1 926 . 14 1 1 A 72 72 ASN C C 72 176.700 176.328 0.372 1
1 927 . 14 1 1 A 72 72 ASN CA C 72 55.000 56.306 -1.306 1
1 928 . 14 1 1 A 72 72 ASN CB C 72 39.000 38.903 0.097 1
1 930 . 14 1 1 A 72 72 ASN N N 72 119.700 119.721 -0.021 1
1 932 . 14 1 1 A 73 73 LEU H H 73 7.900 7.574 0.326 1
1 933 . 14 1 1 A 73 73 LEU HA H 73 4.180 4.259 -0.079 1
1 943 . 14 1 1 A 73 73 LEU C C 73 178.400 177.014 1.386 1
1 944 . 14 1 1 A 73 73 LEU CA C 73 56.700 56.647 0.053 1
1 945 . 14 1 1 A 73 73 LEU CB C 73 42.300 43.488 -1.188 1
1 949 . 14 1 1 A 73 73 LEU N N 73 121.000 117.890 3.110 1
1 950 . 14 1 1 A 74 74 GLU H H 74 8.060 8.650 -0.590 1
1 951 . 14 1 1 A 74 74 GLU HA H 74 4.120 4.702 -0.582 1
1 956 . 14 1 1 A 74 74 GLU C C 74 177.100 175.893 1.207 1
1 957 . 14 1 1 A 74 74 GLU CA C 74 57.400 54.913 2.487 1
1 958 . 14 1 1 A 74 74 GLU CB C 74 29.900 31.477 -1.577 1
1 960 . 14 1 1 A 74 74 GLU N N 74 119.300 118.301 0.999 1
1 961 . 14 1 1 A 75 75 HIS H H 75 8.140 8.752 -0.612 1
1 962 . 14 1 1 A 75 75 HIS HA H 75 4.590 4.929 -0.339 1
1 966 . 14 1 1 A 75 75 HIS C C 75 174.900 175.403 -0.503 1
1 967 . 14 1 1 A 75 75 HIS CA C 75 56.100 54.824 1.276 1
1 968 . 14 1 1 A 75 75 HIS CB C 75 29.000 30.454 -1.454 1
1 970 . 14 1 1 A 75 75 HIS N N 75 117.500 121.524 -4.024 1
1 971 . 14 1 1 A 76 76 HIS H H 76 8.240 7.417 0.823 1
1 972 . 14 1 1 A 76 76 HIS C C 76 174.500 174.549 -0.049 1
1 973 . 14 1 1 A 76 76 HIS CA C 76 55.900 56.349 -0.449 1
1 974 . 14 1 1 A 76 76 HIS CB C 76 29.300 30.044 -0.744 1
1 975 . 14 1 1 A 76 76 HIS N N 76 118.300 118.740 -0.440 1
1 976 . 14 1 1 A 77 77 HIS H H 77 8.400 8.935 -0.535 1
1 977 . 14 1 1 A 77 77 HIS HA H 77 4.640 4.874 -0.234 1
1 980 . 14 1 1 A 77 77 HIS C C 77 173.700 175.289 -1.589 1
1 981 . 14 1 1 A 77 77 HIS CA C 77 55.700 53.934 1.766 1
1 982 . 14 1 1 A 77 77 HIS CB C 77 29.700 30.475 -0.775 1
1 983 . 14 1 1 A 77 77 HIS N N 77 119.300 125.211 -5.911 1
1 984 . 14 1 1 A 78 78 HIS H H 78 8.330 7.822 0.508 1
1 985 . 14 1 1 A 78 78 HIS CA C 78 57.200 56.316 0.884 1
1 986 . 14 1 1 A 78 78 HIS CB C 78 29.900 30.027 -0.127 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 4.140 4.460 -0.320 1
1 5 . 15 1 1 A 2 2 ALA C C 2 173.800 176.610 -2.810 1
1 6 . 15 1 1 A 2 2 ALA CA C 2 51.800 53.176 -1.376 1
1 7 . 15 1 1 A 2 2 ALA CB C 2 19.600 20.025 -0.425 1
1 8 . 15 1 1 A 3 3 ILE H H 3 8.540 8.143 0.397 1
1 9 . 15 1 1 A 3 3 ILE HA H 3 4.190 4.670 -0.480 1
1 19 . 15 1 1 A 3 3 ILE C C 3 176.000 175.745 0.255 1
1 20 . 15 1 1 A 3 3 ILE CA C 3 61.300 60.010 1.290 1
1 21 . 15 1 1 A 3 3 ILE CB C 3 38.800 40.595 -1.795 1
1 25 . 15 1 1 A 3 3 ILE N N 3 120.500 117.550 2.950 1
1 26 . 15 1 1 A 4 4 GLN H H 4 8.570 9.243 -0.673 1
1 27 . 15 1 1 A 4 4 GLN HA H 4 4.400 4.331 0.069 1
1 34 . 15 1 1 A 4 4 GLN C C 4 175.700 175.104 0.596 1
1 35 . 15 1 1 A 4 4 GLN CA C 4 55.800 57.705 -1.905 1
1 36 . 15 1 1 A 4 4 GLN CB C 4 29.600 29.010 0.590 1
1 39 . 15 1 1 A 4 4 GLN N N 4 125.100 129.979 -4.879 1
1 41 . 15 1 1 A 5 5 SER H H 5 8.440 8.532 -0.092 1
1 42 . 15 1 1 A 5 5 SER HA H 5 4.420 4.078 0.342 1
1 45 . 15 1 1 A 5 5 SER C C 5 174.300 174.395 -0.095 1
1 46 . 15 1 1 A 5 5 SER CA C 5 58.200 60.812 -2.612 1
1 47 . 15 1 1 A 5 5 SER CB C 5 64.000 61.762 2.238 1
1 48 . 15 1 1 A 5 5 SER N N 5 118.100 114.702 3.398 1
1 49 . 15 1 1 A 6 6 LYS H H 6 8.320 8.184 0.136 1
1 50 . 15 1 1 A 6 6 LYS HA H 6 4.110 4.503 -0.393 1
1 59 . 15 1 1 A 6 6 LYS C C 6 176.000 174.861 1.139 1
1 60 . 15 1 1 A 6 6 LYS CA C 6 57.200 55.499 1.701 1
1 61 . 15 1 1 A 6 6 LYS CB C 6 33.100 33.307 -0.207 1
1 65 . 15 1 1 A 6 6 LYS N N 6 123.600 121.254 2.346 1
1 66 . 15 1 1 A 7 7 TYR H H 7 8.000 7.776 0.224 1
1 67 . 15 1 1 A 7 7 TYR HA H 7 4.800 5.163 -0.363 1
1 74 . 15 1 1 A 7 7 TYR C C 7 175.800 173.873 1.927 1
1 75 . 15 1 1 A 7 7 TYR CA C 7 57.000 56.387 0.613 1
1 76 . 15 1 1 A 7 7 TYR CB C 7 39.900 43.489 -3.589 1
1 81 . 15 1 1 A 7 7 TYR N N 7 118.900 119.101 -0.201 1
1 82 . 15 1 1 A 8 8 SER H H 8 8.770 8.923 -0.153 1
1 83 . 15 1 1 A 8 8 SER HA H 8 4.510 5.133 -0.623 1
1 86 . 15 1 1 A 8 8 SER C C 8 175.000 174.862 0.138 1
1 87 . 15 1 1 A 8 8 SER CA C 8 57.500 56.246 1.254 1
1 88 . 15 1 1 A 8 8 SER CB C 8 64.700 65.476 -0.776 1
1 89 . 15 1 1 A 8 8 SER N N 8 118.600 116.046 2.554 1
1 90 . 15 1 1 A 9 9 ASN H H 9 8.910 9.131 -0.221 1
1 91 . 15 1 1 A 9 9 ASN HA H 9 4.540 4.343 0.197 1
1 96 . 15 1 1 A 9 9 ASN C C 9 177.200 176.952 0.248 1
1 97 . 15 1 1 A 9 9 ASN CA C 9 55.900 56.898 -0.998 1
1 98 . 15 1 1 A 9 9 ASN CB C 9 38.200 38.585 -0.385 1
1 100 . 15 1 1 A 9 9 ASN N N 9 121.400 126.735 -5.335 1
1 102 . 15 1 1 A 10 10 THR H H 10 8.180 8.182 -0.002 1
1 103 . 15 1 1 A 10 10 THR HA H 10 4.070 3.843 0.227 1
1 108 . 15 1 1 A 10 10 THR C C 10 176.600 176.233 0.367 1
1 109 . 15 1 1 A 10 10 THR CA C 10 65.300 67.177 -1.877 1
1 110 . 15 1 1 A 10 10 THR CB C 10 68.800 68.474 0.326 1
1 112 . 15 1 1 A 10 10 THR N N 10 113.500 116.233 -2.733 1
1 113 . 15 1 1 A 11 11 GLN H H 11 7.950 7.806 0.144 1
1 114 . 15 1 1 A 11 11 GLN HA H 11 4.160 3.953 0.207 1
1 121 . 15 1 1 A 11 11 GLN C C 11 178.400 178.214 0.186 1
1 122 . 15 1 1 A 11 11 GLN CA C 11 59.000 59.013 -0.013 1
1 123 . 15 1 1 A 11 11 GLN CB C 11 29.200 28.465 0.735 1
1 126 . 15 1 1 A 11 11 GLN N N 11 122.500 121.944 0.556 1
1 128 . 15 1 1 A 12 12 VAL H H 12 7.850 8.521 -0.671 1
1 129 . 15 1 1 A 12 12 VAL HA H 12 3.540 3.480 0.060 1
1 137 . 15 1 1 A 12 12 VAL C C 12 177.400 177.977 -0.577 1
1 138 . 15 1 1 A 12 12 VAL CA C 12 66.400 66.944 -0.544 1
1 139 . 15 1 1 A 12 12 VAL CB C 12 32.300 31.360 0.940 1
1 142 . 15 1 1 A 12 12 VAL N N 12 119.000 119.635 -0.635 1
1 143 . 15 1 1 A 13 13 GLU H H 13 8.550 8.644 -0.094 1
1 144 . 15 1 1 A 13 13 GLU HA H 13 3.910 3.814 0.096 1
1 149 . 15 1 1 A 13 13 GLU C C 13 179.500 178.068 1.432 1
1 150 . 15 1 1 A 13 13 GLU CA C 13 59.700 60.712 -1.012 1
1 151 . 15 1 1 A 13 13 GLU CB C 13 29.100 30.453 -1.353 1
1 153 . 15 1 1 A 13 13 GLU N N 13 118.300 120.471 -2.171 1
1 154 . 15 1 1 A 14 14 SER H H 14 8.080 7.984 0.096 1
1 155 . 15 1 1 A 14 14 SER HA H 14 4.260 4.255 0.005 1
1 158 . 15 1 1 A 14 14 SER C C 14 176.200 177.684 -1.484 1
1 159 . 15 1 1 A 14 14 SER CA C 14 61.700 61.158 0.542 1
1 160 . 15 1 1 A 14 14 SER CB C 14 62.800 62.973 -0.173 1
1 161 . 15 1 1 A 14 14 SER N N 14 114.600 114.707 -0.107 1
1 162 . 15 1 1 A 15 15 LEU H H 15 7.110 8.355 -1.245 1
1 163 . 15 1 1 A 15 15 LEU HA H 15 3.690 4.054 -0.364 1
1 173 . 15 1 1 A 15 15 LEU C C 15 177.800 179.039 -1.239 1
1 174 . 15 1 1 A 15 15 LEU CA C 15 57.700 57.886 -0.186 1
1 175 . 15 1 1 A 15 15 LEU CB C 15 42.300 41.755 0.545 1
1 179 . 15 1 1 A 15 15 LEU N N 15 122.200 122.107 0.093 1
1 180 . 15 1 1 A 16 16 ILE H H 16 8.030 8.469 -0.439 1
1 181 . 15 1 1 A 16 16 ILE HA H 16 3.220 3.617 -0.397 1
1 191 . 15 1 1 A 16 16 ILE C C 16 177.200 177.626 -0.426 1
1 192 . 15 1 1 A 16 16 ILE CA C 16 66.000 65.936 0.064 1
1 193 . 15 1 1 A 16 16 ILE CB C 16 39.100 37.388 1.712 1
1 197 . 15 1 1 A 16 16 ILE N N 16 117.900 120.006 -2.106 1
1 198 . 15 1 1 A 17 17 ALA H H 17 7.960 8.514 -0.554 1
1 199 . 15 1 1 A 17 17 ALA HA H 17 3.930 3.937 -0.007 1
1 203 . 15 1 1 A 17 17 ALA C C 17 180.600 179.577 1.023 1
1 204 . 15 1 1 A 17 17 ALA CA C 17 55.400 55.291 0.109 1
1 205 . 15 1 1 A 17 17 ALA CB C 17 18.000 18.058 -0.058 1
1 206 . 15 1 1 A 17 17 ALA N N 17 118.300 121.299 -2.999 1
1 207 . 15 1 1 A 18 18 GLU H H 18 7.630 7.823 -0.193 1
1 208 . 15 1 1 A 18 18 GLU HA H 18 4.030 4.089 -0.059 1
1 213 . 15 1 1 A 18 18 GLU C C 18 179.400 179.036 0.364 1
1 214 . 15 1 1 A 18 18 GLU CA C 18 59.800 59.085 0.715 1
1 215 . 15 1 1 A 18 18 GLU CB C 18 30.300 29.499 0.801 1
1 217 . 15 1 1 A 18 18 GLU N N 18 116.300 118.892 -2.592 1
1 218 . 15 1 1 A 19 19 ILE H H 19 8.110 8.174 -0.064 1
1 219 . 15 1 1 A 19 19 ILE HA H 19 3.590 3.677 -0.087 1
1 229 . 15 1 1 A 19 19 ILE C C 19 177.800 178.453 -0.653 1
1 230 . 15 1 1 A 19 19 ILE CA C 19 66.500 65.255 1.245 1
1 231 . 15 1 1 A 19 19 ILE CB C 19 37.500 37.407 0.093 1
1 235 . 15 1 1 A 19 19 ILE N N 19 121.100 119.720 1.380 1
1 236 . 15 1 1 A 20 20 LEU H H 20 8.480 8.431 0.049 1
1 237 . 15 1 1 A 20 20 LEU HA H 20 4.020 3.992 0.028 1
1 247 . 15 1 1 A 20 20 LEU C C 20 180.500 178.839 1.661 1
1 248 . 15 1 1 A 20 20 LEU CA C 20 58.600 58.060 0.540 1
1 249 . 15 1 1 A 20 20 LEU CB C 20 40.400 41.827 -1.427 1
1 253 . 15 1 1 A 20 20 LEU N N 20 118.300 119.982 -1.682 1
1 254 . 15 1 1 A 21 21 VAL H H 21 7.810 8.026 -0.216 1
1 255 . 15 1 1 A 21 21 VAL HA H 21 3.770 3.591 0.179 1
1 263 . 15 1 1 A 21 21 VAL C C 21 178.200 178.302 -0.102 1
1 264 . 15 1 1 A 21 21 VAL CA C 21 66.800 66.899 -0.099 1
1 265 . 15 1 1 A 21 21 VAL CB C 21 31.600 31.438 0.162 1
1 268 . 15 1 1 A 21 21 VAL N N 21 119.700 118.164 1.536 1
1 269 . 15 1 1 A 22 22 VAL H H 22 7.530 7.903 -0.373 1
1 270 . 15 1 1 A 22 22 VAL HA H 22 3.610 3.341 0.269 1
1 278 . 15 1 1 A 22 22 VAL C C 22 178.500 177.579 0.921 1
1 279 . 15 1 1 A 22 22 VAL CA C 22 67.300 66.803 0.497 1
1 280 . 15 1 1 A 22 22 VAL CB C 22 31.500 31.259 0.241 1
1 283 . 15 1 1 A 22 22 VAL N N 22 121.400 119.745 1.655 1
1 284 . 15 1 1 A 23 23 LEU H H 23 7.610 7.854 -0.244 1
1 285 . 15 1 1 A 23 23 LEU HA H 23 3.880 3.782 0.098 1
1 295 . 15 1 1 A 23 23 LEU C C 23 179.700 179.889 -0.189 1
1 296 . 15 1 1 A 23 23 LEU CA C 23 58.400 57.964 0.436 1
1 297 . 15 1 1 A 23 23 LEU CB C 23 40.900 40.907 -0.007 1
1 301 . 15 1 1 A 23 23 LEU N N 23 116.800 119.345 -2.545 1
1 302 . 15 1 1 A 24 24 GLU H H 24 8.160 8.632 -0.472 1
1 303 . 15 1 1 A 24 24 GLU HA H 24 4.170 3.893 0.277 1
1 308 . 15 1 1 A 24 24 GLU C C 24 180.900 179.907 0.993 1
1 309 . 15 1 1 A 24 24 GLU CA C 24 59.000 59.708 -0.708 1
1 310 . 15 1 1 A 24 24 GLU CB C 24 29.700 29.368 0.332 1
1 312 . 15 1 1 A 24 24 GLU N N 24 119.200 118.086 1.114 1
1 313 . 15 1 1 A 25 25 LYS H H 25 8.980 7.987 0.993 1
1 314 . 15 1 1 A 25 25 LYS HA H 25 4.050 4.051 -0.001 1
1 323 . 15 1 1 A 25 25 LYS C C 25 178.600 178.866 -0.266 1
1 324 . 15 1 1 A 25 25 LYS CA C 25 59.300 58.914 0.386 1
1 325 . 15 1 1 A 25 25 LYS CB C 25 32.100 31.908 0.192 1
1 329 . 15 1 1 A 25 25 LYS N N 25 122.900 120.947 1.953 1
1 330 . 15 1 1 A 26 26 HIS H H 26 7.400 7.332 0.068 1
1 331 . 15 1 1 A 26 26 HIS HA H 26 4.460 4.591 -0.131 1
1 336 . 15 1 1 A 26 26 HIS C C 26 173.600 174.421 -0.821 1
1 337 . 15 1 1 A 26 26 HIS CA C 26 56.500 57.678 -1.178 1
1 338 . 15 1 1 A 26 26 HIS CB C 26 29.200 30.422 -1.222 1
1 341 . 15 1 1 A 26 26 HIS N N 26 113.800 114.967 -1.167 1
1 342 . 15 1 1 A 27 27 LYS H H 27 8.200 7.577 0.623 1
1 343 . 15 1 1 A 27 27 LYS HA H 27 3.950 3.736 0.214 1
1 352 . 15 1 1 A 27 27 LYS C C 27 176.500 175.536 0.964 1
1 353 . 15 1 1 A 27 27 LYS CA C 27 56.600 57.188 -0.588 1
1 354 . 15 1 1 A 27 27 LYS CB C 27 29.600 29.609 -0.009 1
1 358 . 15 1 1 A 27 27 LYS N N 27 119.500 115.910 3.590 1
1 359 . 15 1 1 A 28 28 ALA H H 28 7.760 7.810 -0.050 1
1 360 . 15 1 1 A 28 28 ALA HA H 28 4.490 4.510 -0.020 1
1 364 . 15 1 1 A 28 28 ALA CA C 28 51.000 50.727 0.273 1
1 365 . 15 1 1 A 28 28 ALA CB C 28 19.200 18.825 0.375 1
1 366 . 15 1 1 A 28 28 ALA N N 28 121.500 121.130 0.370 1
1 367 . 15 1 1 A 29 29 PRO HA H 29 4.720 4.539 0.181 1
1 374 . 15 1 1 A 29 29 PRO C C 29 177.400 177.438 -0.038 1
1 375 . 15 1 1 A 29 29 PRO CA C 29 62.100 62.653 -0.553 1
1 376 . 15 1 1 A 29 29 PRO CB C 29 33.000 32.779 0.221 1
1 379 . 15 1 1 A 30 30 THR H H 30 8.830 8.389 0.441 1
1 380 . 15 1 1 A 30 30 THR HA H 30 3.680 4.105 -0.425 1
1 385 . 15 1 1 A 30 30 THR C C 30 175.200 175.889 -0.689 1
1 386 . 15 1 1 A 30 30 THR CA C 30 67.400 65.561 1.839 1
1 387 . 15 1 1 A 30 30 THR CB C 30 68.500 68.416 0.084 1
1 389 . 15 1 1 A 30 30 THR N N 30 120.400 117.609 2.791 1
1 390 . 15 1 1 A 31 31 ASP H H 31 8.880 8.359 0.521 1
1 391 . 15 1 1 A 31 31 ASP HA H 31 4.220 4.357 -0.137 1
1 394 . 15 1 1 A 31 31 ASP C C 31 179.000 178.385 0.615 1
1 395 . 15 1 1 A 31 31 ASP CA C 31 57.400 57.781 -0.381 1
1 396 . 15 1 1 A 31 31 ASP CB C 31 38.700 41.180 -2.480 1
1 397 . 15 1 1 A 31 31 ASP N N 31 118.600 121.225 -2.625 1
1 398 . 15 1 1 A 32 32 LEU H H 32 7.540 7.830 -0.290 1
1 399 . 15 1 1 A 32 32 LEU HA H 32 3.970 4.124 -0.154 1
1 409 . 15 1 1 A 32 32 LEU C C 32 178.100 178.404 -0.304 1
1 410 . 15 1 1 A 32 32 LEU CA C 32 57.500 57.394 0.106 1
1 411 . 15 1 1 A 32 32 LEU CB C 32 40.600 41.859 -1.259 1
1 415 . 15 1 1 A 32 32 LEU N N 32 124.300 120.981 3.319 1
1 416 . 15 1 1 A 33 33 SER H H 33 8.420 8.454 -0.034 1
1 417 . 15 1 1 A 33 33 SER HA H 33 3.860 4.209 -0.349 1
1 420 . 15 1 1 A 33 33 SER C C 33 175.900 177.577 -1.677 1
1 421 . 15 1 1 A 33 33 SER CA C 33 63.100 61.573 1.527 1
1 422 . 15 1 1 A 33 33 SER CB C 33 62.900 62.469 0.431 1
1 423 . 15 1 1 A 33 33 SER N N 33 116.000 115.414 0.586 1
1 424 . 15 1 1 A 34 34 LEU H H 34 8.400 8.212 0.188 1
1 425 . 15 1 1 A 34 34 LEU HA H 34 4.010 4.026 -0.016 1
1 435 . 15 1 1 A 34 34 LEU C C 34 179.500 178.987 0.513 1
1 436 . 15 1 1 A 34 34 LEU CA C 34 58.700 57.920 0.780 1
1 437 . 15 1 1 A 34 34 LEU CB C 34 41.500 41.441 0.059 1
1 441 . 15 1 1 A 34 34 LEU N N 34 120.400 122.908 -2.508 1
1 442 . 15 1 1 A 35 35 MET H H 35 7.970 8.201 -0.231 1
1 443 . 15 1 1 A 35 35 MET HA H 35 4.210 4.256 -0.046 1
1 451 . 15 1 1 A 35 35 MET C C 35 178.900 177.915 0.985 1
1 452 . 15 1 1 A 35 35 MET CA C 35 59.100 58.617 0.483 1
1 453 . 15 1 1 A 35 35 MET CB C 35 33.100 32.334 0.766 1
1 456 . 15 1 1 A 35 35 MET N N 35 120.300 118.591 1.709 1
1 457 . 15 1 1 A 36 36 ALA H H 36 8.710 8.036 0.674 1
1 458 . 15 1 1 A 36 36 ALA HA H 36 3.900 4.114 -0.214 1
1 462 . 15 1 1 A 36 36 ALA C C 36 179.700 179.940 -0.240 1
1 463 . 15 1 1 A 36 36 ALA CA C 36 55.400 54.968 0.432 1
1 464 . 15 1 1 A 36 36 ALA CB C 36 18.600 18.410 0.190 1
1 465 . 15 1 1 A 36 36 ALA N N 36 121.700 121.349 0.351 1
1 466 . 15 1 1 A 37 37 LEU H H 37 8.750 8.717 0.033 1
1 467 . 15 1 1 A 37 37 LEU HA H 37 3.980 3.963 0.017 1
1 477 . 15 1 1 A 37 37 LEU C C 37 179.600 179.189 0.411 1
1 478 . 15 1 1 A 37 37 LEU CA C 37 59.000 57.946 1.054 1
1 479 . 15 1 1 A 37 37 LEU CB C 37 42.000 41.990 0.010 1
1 483 . 15 1 1 A 37 37 LEU N N 37 118.100 119.453 -1.353 1
1 484 . 15 1 1 A 38 38 GLY H H 38 8.780 8.470 0.310 1
1 485 . 15 1 1 A 38 38 GLY HA2 H 38 3.650 3.751 -0.101 1
1 486 . 15 1 1 A 38 38 GLY HA3 H 38 3.940 3.764 0.176 1
1 487 . 15 1 1 A 38 38 GLY C C 38 175.600 176.194 -0.594 1
1 488 . 15 1 1 A 38 38 GLY CA C 38 48.300 47.806 0.494 1
1 489 . 15 1 1 A 38 38 GLY N N 38 105.600 105.838 -0.238 1
1 490 . 15 1 1 A 39 39 ASN H H 39 8.180 7.787 0.393 1
1 491 . 15 1 1 A 39 39 ASN HA H 39 4.550 4.487 0.063 1
1 496 . 15 1 1 A 39 39 ASN C C 39 178.400 178.010 0.390 1
1 497 . 15 1 1 A 39 39 ASN CA C 39 56.000 56.167 -0.167 1
1 498 . 15 1 1 A 39 39 ASN CB C 39 39.200 38.062 1.138 1
1 500 . 15 1 1 A 39 39 ASN N N 39 120.000 119.518 0.482 1
1 502 . 15 1 1 A 40 40 CYS H H 40 8.420 8.035 0.385 1
1 503 . 15 1 1 A 40 40 CYS HA H 40 4.010 4.086 -0.076 1
1 506 . 15 1 1 A 40 40 CYS C C 40 176.000 176.832 -0.832 1
1 507 . 15 1 1 A 40 40 CYS CA C 40 65.300 62.588 2.712 1
1 508 . 15 1 1 A 40 40 CYS CB C 40 27.200 26.476 0.724 1
1 509 . 15 1 1 A 40 40 CYS N N 40 120.200 119.309 0.891 1
1 510 . 15 1 1 A 41 41 VAL H H 41 7.830 8.138 -0.308 1
1 511 . 15 1 1 A 41 41 VAL HA H 41 3.250 3.461 -0.211 1
1 519 . 15 1 1 A 41 41 VAL C C 41 177.500 178.574 -1.074 1
1 520 . 15 1 1 A 41 41 VAL CA C 41 67.500 66.911 0.589 1
1 521 . 15 1 1 A 41 41 VAL CB C 41 30.800 31.604 -0.804 1
1 524 . 15 1 1 A 41 41 VAL N N 41 119.400 120.018 -0.618 1
1 525 . 15 1 1 A 42 42 THR H H 42 8.270 8.097 0.173 1
1 526 . 15 1 1 A 42 42 THR HA H 42 3.520 3.869 -0.349 1
1 531 . 15 1 1 A 42 42 THR C C 42 176.200 176.328 -0.128 1
1 532 . 15 1 1 A 42 42 THR CA C 42 67.800 66.784 1.016 1
1 533 . 15 1 1 A 42 42 THR CB C 42 67.800 68.484 -0.684 1
1 535 . 15 1 1 A 42 42 THR N N 42 113.600 116.541 -2.941 1
1 536 . 15 1 1 A 43 43 HIS H H 43 8.250 7.710 0.540 1
1 537 . 15 1 1 A 43 43 HIS HA H 43 4.310 4.276 0.034 1
1 542 . 15 1 1 A 43 43 HIS C C 43 177.200 177.260 -0.060 1
1 543 . 15 1 1 A 43 43 HIS CA C 43 59.300 59.441 -0.141 1
1 544 . 15 1 1 A 43 43 HIS CB C 43 28.900 29.764 -0.864 1
1 547 . 15 1 1 A 43 43 HIS N N 43 120.000 122.260 -2.260 1
1 550 . 15 1 1 A 44 44 LEU H H 44 8.070 8.094 -0.024 1
1 551 . 15 1 1 A 44 44 LEU HA H 44 3.960 3.765 0.195 1
1 561 . 15 1 1 A 44 44 LEU C C 44 179.300 179.268 0.032 1
1 562 . 15 1 1 A 44 44 LEU CA C 44 58.400 57.846 0.554 1
1 563 . 15 1 1 A 44 44 LEU CB C 44 42.200 41.487 0.713 1
1 567 . 15 1 1 A 44 44 LEU N N 44 119.400 119.816 -0.416 1
1 568 . 15 1 1 A 45 45 LEU H H 45 8.410 8.385 0.025 1
1 569 . 15 1 1 A 45 45 LEU HA H 45 3.850 3.919 -0.069 1
1 579 . 15 1 1 A 45 45 LEU C C 45 178.700 179.334 -0.634 1
1 580 . 15 1 1 A 45 45 LEU CA C 45 58.200 57.243 0.957 1
1 581 . 15 1 1 A 45 45 LEU CB C 45 41.800 40.683 1.117 1
1 585 . 15 1 1 A 45 45 LEU N N 45 118.100 118.639 -0.539 1
1 586 . 15 1 1 A 46 46 GLU H H 46 8.120 7.956 0.164 1
1 587 . 15 1 1 A 46 46 GLU HA H 46 3.740 3.946 -0.206 1
1 592 . 15 1 1 A 46 46 GLU C C 46 178.000 178.698 -0.698 1
1 593 . 15 1 1 A 46 46 GLU CA C 46 58.900 59.238 -0.338 1
1 594 . 15 1 1 A 46 46 GLU CB C 46 29.700 29.760 -0.060 1
1 596 . 15 1 1 A 46 46 GLU N N 46 115.000 120.512 -5.512 1
1 597 . 15 1 1 A 47 47 ARG H H 47 7.740 7.456 0.284 1
1 598 . 15 1 1 A 47 47 ARG HA H 47 4.270 4.088 0.182 1
1 606 . 15 1 1 A 47 47 ARG C C 47 178.500 178.041 0.459 1
1 607 . 15 1 1 A 47 47 ARG CA C 47 57.000 58.215 -1.215 1
1 608 . 15 1 1 A 47 47 ARG CB C 47 31.600 30.201 1.399 1
1 611 . 15 1 1 A 47 47 ARG N N 47 114.000 119.537 -5.537 1
1 613 . 15 1 1 A 48 48 LYS H H 48 8.210 7.562 0.648 1
1 614 . 15 1 1 A 48 48 LYS HA H 48 4.620 4.332 0.288 1
1 623 . 15 1 1 A 48 48 LYS C C 48 176.400 175.371 1.029 1
1 624 . 15 1 1 A 48 48 LYS CA C 48 55.500 56.486 -0.986 1
1 625 . 15 1 1 A 48 48 LYS CB C 48 34.500 33.037 1.463 1
1 629 . 15 1 1 A 48 48 LYS N N 48 114.000 116.795 -2.795 1
1 630 . 15 1 1 A 49 49 VAL H H 49 7.630 7.618 0.012 1
1 631 . 15 1 1 A 49 49 VAL HA H 49 4.710 4.486 0.224 1
1 639 . 15 1 1 A 49 49 VAL CA C 49 59.400 58.525 0.875 1
1 640 . 15 1 1 A 49 49 VAL CB C 49 33.600 34.781 -1.181 1
1 643 . 15 1 1 A 49 49 VAL N N 49 121.800 118.920 2.880 1
1 644 . 15 1 1 A 50 50 PRO HA H 50 4.460 4.559 -0.099 1
1 651 . 15 1 1 A 50 50 PRO C C 50 177.900 177.602 0.298 1
1 652 . 15 1 1 A 50 50 PRO CA C 50 63.200 62.711 0.489 1
1 653 . 15 1 1 A 50 50 PRO CB C 50 32.900 32.911 -0.011 1
1 656 . 15 1 1 A 51 51 SER H H 51 8.950 8.775 0.175 1
1 657 . 15 1 1 A 51 51 SER HA H 51 3.910 4.118 -0.208 1
1 660 . 15 1 1 A 51 51 SER C C 51 176.300 176.608 -0.308 1
1 661 . 15 1 1 A 51 51 SER CA C 51 62.800 61.404 1.396 1
1 662 . 15 1 1 A 51 51 SER CB C 51 62.700 62.771 -0.071 1
1 663 . 15 1 1 A 51 51 SER N N 51 119.000 119.243 -0.243 1
1 664 . 15 1 1 A 52 52 GLU H H 52 9.480 8.337 1.143 1
1 665 . 15 1 1 A 52 52 GLU HA H 52 4.220 4.029 0.191 1
1 670 . 15 1 1 A 52 52 GLU C C 52 177.000 178.554 -1.554 1
1 671 . 15 1 1 A 52 52 GLU CA C 52 59.200 59.547 -0.347 1
1 672 . 15 1 1 A 52 52 GLU CB C 52 28.700 29.206 -0.506 1
1 674 . 15 1 1 A 52 52 GLU N N 52 118.900 122.486 -3.586 1
1 675 . 15 1 1 A 53 53 SER H H 53 7.770 7.728 0.042 1
1 676 . 15 1 1 A 53 53 SER HA H 53 4.940 4.437 0.503 1
1 679 . 15 1 1 A 53 53 SER C C 53 174.200 176.360 -2.160 1
1 680 . 15 1 1 A 53 53 SER CA C 53 58.200 59.932 -1.732 1
1 681 . 15 1 1 A 53 53 SER CB C 53 64.800 63.739 1.061 1
1 682 . 15 1 1 A 53 53 SER N N 53 112.500 116.556 -4.056 1
1 683 . 15 1 1 A 54 54 ARG H H 54 7.380 8.002 -0.622 1
1 684 . 15 1 1 A 54 54 ARG HA H 54 3.630 3.921 -0.291 1
1 696 . 15 1 1 A 54 54 ARG C C 54 177.200 178.151 -0.951 1
1 697 . 15 1 1 A 54 54 ARG CA C 54 61.400 59.765 1.635 1
1 698 . 15 1 1 A 54 54 ARG CB C 54 31.200 29.583 1.617 1
1 701 . 15 1 1 A 54 54 ARG N N 54 122.100 122.633 -0.533 1
1 703 . 15 1 1 A 55 55 GLN H H 55 9.010 7.417 1.593 1
1 704 . 15 1 1 A 55 55 GLN HA H 55 3.840 4.098 -0.258 1
1 711 . 15 1 1 A 55 55 GLN C C 55 178.000 177.965 0.035 1
1 712 . 15 1 1 A 55 55 GLN CA C 55 59.700 58.381 1.319 1
1 713 . 15 1 1 A 55 55 GLN CB C 55 28.100 28.454 -0.354 1
1 716 . 15 1 1 A 55 55 GLN N N 55 118.000 118.660 -0.660 1
1 718 . 15 1 1 A 56 56 ALA H H 56 8.280 8.022 0.258 1
1 719 . 15 1 1 A 56 56 ALA HA H 56 4.190 4.100 0.090 1
1 723 . 15 1 1 A 56 56 ALA C C 56 181.200 179.930 1.270 1
1 724 . 15 1 1 A 56 56 ALA CA C 56 55.200 55.106 0.094 1
1 725 . 15 1 1 A 56 56 ALA CB C 56 17.900 18.375 -0.475 1
1 726 . 15 1 1 A 56 56 ALA N N 56 122.300 122.061 0.239 1
1 727 . 15 1 1 A 57 57 VAL H H 57 8.150 8.627 -0.477 1
1 728 . 15 1 1 A 57 57 VAL HA H 57 3.740 3.532 0.208 1
1 736 . 15 1 1 A 57 57 VAL C C 57 178.900 178.148 0.752 1
1 737 . 15 1 1 A 57 57 VAL CA C 57 66.700 66.464 0.236 1
1 738 . 15 1 1 A 57 57 VAL CB C 57 31.700 31.602 0.098 1
1 741 . 15 1 1 A 57 57 VAL N N 57 119.600 118.455 1.145 1
1 742 . 15 1 1 A 58 58 ALA H H 58 8.370 7.998 0.372 1
1 743 . 15 1 1 A 58 58 ALA HA H 58 3.910 4.010 -0.100 1
1 747 . 15 1 1 A 58 58 ALA C C 58 179.500 180.069 -0.569 1
1 748 . 15 1 1 A 58 58 ALA CA C 58 55.800 56.010 -0.210 1
1 749 . 15 1 1 A 58 58 ALA CB C 58 18.500 18.518 -0.018 1
1 750 . 15 1 1 A 58 58 ALA N N 58 123.000 121.913 1.087 1
1 751 . 15 1 1 A 59 59 GLU H H 59 8.630 8.034 0.596 1
1 752 . 15 1 1 A 59 59 GLU HA H 59 4.100 3.962 0.138 1
1 757 . 15 1 1 A 59 59 GLU C C 59 179.400 179.170 0.230 1
1 758 . 15 1 1 A 59 59 GLU CA C 59 59.600 59.755 -0.155 1
1 759 . 15 1 1 A 59 59 GLU CB C 59 29.300 29.158 0.142 1
1 761 . 15 1 1 A 59 59 GLU N N 59 118.400 117.745 0.655 1
1 762 . 15 1 1 A 60 60 GLN H H 60 8.280 8.069 0.211 1
1 763 . 15 1 1 A 60 60 GLN HA H 60 4.090 4.089 0.001 1
1 770 . 15 1 1 A 60 60 GLN C C 60 178.700 178.533 0.167 1
1 771 . 15 1 1 A 60 60 GLN CA C 60 59.100 58.924 0.176 1
1 772 . 15 1 1 A 60 60 GLN CB C 60 28.100 28.356 -0.256 1
1 775 . 15 1 1 A 60 60 GLN N N 60 120.400 118.851 1.549 1
1 777 . 15 1 1 A 61 61 PHE H H 61 8.400 9.028 -0.628 1
1 778 . 15 1 1 A 61 61 PHE HA H 61 4.160 4.323 -0.163 1
1 786 . 15 1 1 A 61 61 PHE C C 61 177.600 177.404 0.196 1
1 787 . 15 1 1 A 61 61 PHE CA C 61 61.400 61.672 -0.272 1
1 788 . 15 1 1 A 61 61 PHE CB C 61 39.100 39.267 -0.167 1
1 794 . 15 1 1 A 61 61 PHE N N 61 122.000 121.143 0.857 1
1 795 . 15 1 1 A 62 62 ALA H H 62 8.620 8.489 0.131 1
1 796 . 15 1 1 A 62 62 ALA HA H 62 3.980 3.979 0.001 1
1 800 . 15 1 1 A 62 62 ALA C C 62 179.700 179.280 0.420 1
1 801 . 15 1 1 A 62 62 ALA CA C 62 55.500 55.377 0.123 1
1 802 . 15 1 1 A 62 62 ALA CB C 62 18.900 18.338 0.562 1
1 803 . 15 1 1 A 62 62 ALA N N 62 122.000 121.560 0.440 1
1 804 . 15 1 1 A 63 63 LYS H H 63 8.470 7.712 0.758 1
1 805 . 15 1 1 A 63 63 LYS HA H 63 4.050 3.945 0.105 1
1 814 . 15 1 1 A 63 63 LYS C C 63 179.200 179.030 0.170 1
1 815 . 15 1 1 A 63 63 LYS CA C 63 59.600 59.236 0.364 1
1 816 . 15 1 1 A 63 63 LYS CB C 63 32.600 32.404 0.196 1
1 820 . 15 1 1 A 63 63 LYS N N 63 119.500 117.028 2.472 1
1 821 . 15 1 1 A 64 64 ALA H H 64 8.000 8.172 -0.172 1
1 822 . 15 1 1 A 64 64 ALA HA H 64 4.100 4.016 0.084 1
1 826 . 15 1 1 A 64 64 ALA C C 64 180.700 180.470 0.230 1
1 827 . 15 1 1 A 64 64 ALA CA C 64 55.000 54.978 0.022 1
1 828 . 15 1 1 A 64 64 ALA CB C 64 17.700 18.138 -0.438 1
1 829 . 15 1 1 A 64 64 ALA N N 64 122.000 122.743 -0.743 1
1 830 . 15 1 1 A 65 65 LEU H H 65 7.830 8.092 -0.262 1
1 831 . 15 1 1 A 65 65 LEU HA H 65 3.950 3.896 0.054 1
1 841 . 15 1 1 A 65 65 LEU C C 65 178.900 178.267 0.633 1
1 842 . 15 1 1 A 65 65 LEU CA C 65 57.800 57.461 0.339 1
1 843 . 15 1 1 A 65 65 LEU CB C 65 41.700 41.273 0.427 1
1 847 . 15 1 1 A 65 65 LEU N N 65 120.600 120.387 0.213 1
1 848 . 15 1 1 A 66 66 ALA H H 66 7.990 8.149 -0.159 1
1 849 . 15 1 1 A 66 66 ALA HA H 66 3.840 3.987 -0.147 1
1 853 . 15 1 1 A 66 66 ALA C C 66 180.300 179.230 1.070 1
1 854 . 15 1 1 A 66 66 ALA CA C 66 55.500 55.074 0.426 1
1 855 . 15 1 1 A 66 66 ALA CB C 66 17.900 18.199 -0.299 1
1 856 . 15 1 1 A 66 66 ALA N N 66 120.900 121.698 -0.798 1
1 857 . 15 1 1 A 67 67 GLN H H 67 8.140 8.142 -0.002 1
1 858 . 15 1 1 A 67 67 GLN HA H 67 4.070 3.991 0.079 1
1 865 . 15 1 1 A 67 67 GLN C C 67 178.400 178.133 0.267 1
1 866 . 15 1 1 A 67 67 GLN CA C 67 58.300 59.043 -0.743 1
1 867 . 15 1 1 A 67 67 GLN CB C 67 28.400 28.677 -0.277 1
1 870 . 15 1 1 A 67 67 GLN N N 67 116.600 118.732 -2.132 1
1 872 . 15 1 1 A 68 68 SER H H 68 8.120 8.075 0.045 1
1 873 . 15 1 1 A 68 68 SER HA H 68 4.220 4.170 0.050 1
1 876 . 15 1 1 A 68 68 SER C C 68 176.500 176.543 -0.043 1
1 877 . 15 1 1 A 68 68 SER CA C 68 61.500 62.676 -1.176 1
1 878 . 15 1 1 A 68 68 SER CB C 68 63.000 63.003 -0.003 1
1 879 . 15 1 1 A 68 68 SER N N 68 116.700 117.049 -0.349 1
1 880 . 15 1 1 A 69 69 VAL H H 69 7.660 7.835 -0.175 1
1 881 . 15 1 1 A 69 69 VAL HA H 69 3.860 3.593 0.267 1
1 889 . 15 1 1 A 69 69 VAL C C 69 177.400 178.320 -0.920 1
1 890 . 15 1 1 A 69 69 VAL CA C 69 64.900 66.986 -2.086 1
1 891 . 15 1 1 A 69 69 VAL CB C 69 31.900 31.345 0.555 1
1 894 . 15 1 1 A 69 69 VAL N N 69 119.800 121.499 -1.699 1
1 895 . 15 1 1 A 70 70 LYS H H 70 7.860 7.982 -0.122 1
1 896 . 15 1 1 A 70 70 LYS HA H 70 4.040 4.257 -0.217 1
1 905 . 15 1 1 A 70 70 LYS C C 70 178.400 178.705 -0.305 1
1 906 . 15 1 1 A 70 70 LYS CA C 70 59.200 58.541 0.659 1
1 907 . 15 1 1 A 70 70 LYS CB C 70 32.800 31.991 0.809 1
1 911 . 15 1 1 A 70 70 LYS N N 70 121.300 120.702 0.598 1
1 912 . 15 1 1 A 71 71 SER H H 71 8.390 7.696 0.694 1
1 913 . 15 1 1 A 71 71 SER HA H 71 4.280 4.177 0.103 1
1 916 . 15 1 1 A 71 71 SER C C 71 176.000 176.454 -0.454 1
1 917 . 15 1 1 A 71 71 SER CA C 71 60.700 62.074 -1.374 1
1 918 . 15 1 1 A 71 71 SER CB C 71 63.300 62.870 0.430 1
1 919 . 15 1 1 A 71 71 SER N N 71 114.400 116.793 -2.393 1
1 920 . 15 1 1 A 72 72 ASN H H 72 7.940 7.638 0.302 1
1 921 . 15 1 1 A 72 72 ASN HA H 72 4.630 4.744 -0.114 1
1 926 . 15 1 1 A 72 72 ASN C C 72 176.700 178.390 -1.690 1
1 927 . 15 1 1 A 72 72 ASN CA C 72 55.000 56.297 -1.297 1
1 928 . 15 1 1 A 72 72 ASN CB C 72 39.000 38.704 0.296 1
1 930 . 15 1 1 A 72 72 ASN N N 72 119.700 120.724 -1.024 1
1 932 . 15 1 1 A 73 73 LEU H H 73 7.900 7.915 -0.015 1
1 933 . 15 1 1 A 73 73 LEU HA H 73 4.180 3.890 0.290 1
1 943 . 15 1 1 A 73 73 LEU C C 73 178.400 176.994 1.406 1
1 944 . 15 1 1 A 73 73 LEU CA C 73 56.700 58.154 -1.454 1
1 945 . 15 1 1 A 73 73 LEU CB C 73 42.300 41.526 0.774 1
1 949 . 15 1 1 A 73 73 LEU N N 73 121.000 120.054 0.946 1
1 950 . 15 1 1 A 74 74 GLU H H 74 8.060 8.001 0.059 1
1 951 . 15 1 1 A 74 74 GLU HA H 74 4.120 4.385 -0.265 1
1 956 . 15 1 1 A 74 74 GLU C C 74 177.100 176.456 0.644 1
1 957 . 15 1 1 A 74 74 GLU CA C 74 57.400 54.879 2.521 1
1 958 . 15 1 1 A 74 74 GLU CB C 74 29.900 28.265 1.635 1
1 960 . 15 1 1 A 74 74 GLU N N 74 119.300 117.488 1.812 1
1 961 . 15 1 1 A 75 75 HIS H H 75 8.140 8.347 -0.207 1
1 962 . 15 1 1 A 75 75 HIS HA H 75 4.590 5.062 -0.472 1
1 966 . 15 1 1 A 75 75 HIS C C 75 174.900 175.476 -0.576 1
1 967 . 15 1 1 A 75 75 HIS CA C 75 56.100 55.846 0.254 1
1 968 . 15 1 1 A 75 75 HIS CB C 75 29.000 29.827 -0.827 1
1 970 . 15 1 1 A 75 75 HIS N N 75 117.500 119.614 -2.114 1
1 971 . 15 1 1 A 76 76 HIS H H 76 8.240 8.212 0.028 1
1 972 . 15 1 1 A 76 76 HIS C C 76 174.500 174.670 -0.170 1
1 973 . 15 1 1 A 76 76 HIS CA C 76 55.900 57.649 -1.749 1
1 974 . 15 1 1 A 76 76 HIS CB C 76 29.300 29.794 -0.494 1
1 975 . 15 1 1 A 76 76 HIS N N 76 118.300 117.960 0.340 1
1 976 . 15 1 1 A 77 77 HIS H H 77 8.400 9.093 -0.693 1
1 977 . 15 1 1 A 77 77 HIS HA H 77 4.640 4.421 0.219 1
1 980 . 15 1 1 A 77 77 HIS C C 77 173.700 174.480 -0.780 1
1 981 . 15 1 1 A 77 77 HIS CA C 77 55.700 58.390 -2.690 1
1 982 . 15 1 1 A 77 77 HIS CB C 77 29.700 29.512 0.188 1
1 983 . 15 1 1 A 77 77 HIS N N 77 119.300 117.805 1.495 1
1 984 . 15 1 1 A 78 78 HIS H H 78 8.330 8.319 0.011 1
1 985 . 15 1 1 A 78 78 HIS CA C 78 57.200 56.835 0.365 1
1 986 . 15 1 1 A 78 78 HIS CB C 78 29.900 32.047 -2.147 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 4.140 5.133 -0.993 1
1 5 . 16 1 1 A 2 2 ALA C C 2 173.800 176.688 -2.888 1
1 6 . 16 1 1 A 2 2 ALA CA C 2 51.800 50.452 1.348 1
1 7 . 16 1 1 A 2 2 ALA CB C 2 19.600 21.107 -1.507 1
1 8 . 16 1 1 A 3 3 ILE H H 3 8.540 8.775 -0.235 1
1 9 . 16 1 1 A 3 3 ILE HA H 3 4.190 4.094 0.096 1
1 19 . 16 1 1 A 3 3 ILE C C 3 176.000 176.865 -0.865 1
1 20 . 16 1 1 A 3 3 ILE CA C 3 61.300 63.581 -2.281 1
1 21 . 16 1 1 A 3 3 ILE CB C 3 38.800 38.025 0.775 1
1 25 . 16 1 1 A 3 3 ILE N N 3 120.500 125.650 -5.150 1
1 26 . 16 1 1 A 4 4 GLN H H 4 8.570 7.659 0.911 1
1 27 . 16 1 1 A 4 4 GLN HA H 4 4.400 4.414 -0.014 1
1 34 . 16 1 1 A 4 4 GLN C C 4 175.700 176.073 -0.373 1
1 35 . 16 1 1 A 4 4 GLN CA C 4 55.800 55.697 0.103 1
1 36 . 16 1 1 A 4 4 GLN CB C 4 29.600 28.981 0.619 1
1 39 . 16 1 1 A 4 4 GLN N N 4 125.100 120.139 4.961 1
1 41 . 16 1 1 A 5 5 SER H H 5 8.440 7.528 0.912 1
1 42 . 16 1 1 A 5 5 SER HA H 5 4.420 4.657 -0.237 1
1 45 . 16 1 1 A 5 5 SER C C 5 174.300 174.083 0.217 1
1 46 . 16 1 1 A 5 5 SER CA C 5 58.200 57.744 0.456 1
1 47 . 16 1 1 A 5 5 SER CB C 5 64.000 61.150 2.850 1
1 48 . 16 1 1 A 5 5 SER N N 5 118.100 116.046 2.054 1
1 49 . 16 1 1 A 6 6 LYS H H 6 8.320 8.245 0.075 1
1 50 . 16 1 1 A 6 6 LYS HA H 6 4.110 4.038 0.072 1
1 59 . 16 1 1 A 6 6 LYS C C 6 176.000 176.101 -0.101 1
1 60 . 16 1 1 A 6 6 LYS CA C 6 57.200 57.739 -0.539 1
1 61 . 16 1 1 A 6 6 LYS CB C 6 33.100 32.511 0.589 1
1 65 . 16 1 1 A 6 6 LYS N N 6 123.600 126.728 -3.128 1
1 66 . 16 1 1 A 7 7 TYR H H 7 8.000 7.615 0.385 1
1 67 . 16 1 1 A 7 7 TYR HA H 7 4.800 5.231 -0.431 1
1 74 . 16 1 1 A 7 7 TYR C C 7 175.800 175.371 0.429 1
1 75 . 16 1 1 A 7 7 TYR CA C 7 57.000 56.667 0.333 1
1 76 . 16 1 1 A 7 7 TYR CB C 7 39.900 42.304 -2.404 1
1 81 . 16 1 1 A 7 7 TYR N N 7 118.900 116.426 2.474 1
1 82 . 16 1 1 A 8 8 SER H H 8 8.770 9.034 -0.264 1
1 83 . 16 1 1 A 8 8 SER HA H 8 4.510 4.842 -0.332 1
1 86 . 16 1 1 A 8 8 SER C C 8 175.000 176.028 -1.028 1
1 87 . 16 1 1 A 8 8 SER CA C 8 57.500 57.245 0.255 1
1 88 . 16 1 1 A 8 8 SER CB C 8 64.700 65.073 -0.373 1
1 89 . 16 1 1 A 8 8 SER N N 8 118.600 116.351 2.249 1
1 90 . 16 1 1 A 9 9 ASN H H 9 8.910 9.058 -0.148 1
1 91 . 16 1 1 A 9 9 ASN HA H 9 4.540 4.479 0.061 1
1 96 . 16 1 1 A 9 9 ASN C C 9 177.200 177.730 -0.530 1
1 97 . 16 1 1 A 9 9 ASN CA C 9 55.900 56.450 -0.550 1
1 98 . 16 1 1 A 9 9 ASN CB C 9 38.200 38.083 0.117 1
1 100 . 16 1 1 A 9 9 ASN N N 9 121.400 120.875 0.525 1
1 102 . 16 1 1 A 10 10 THR H H 10 8.180 7.955 0.225 1
1 103 . 16 1 1 A 10 10 THR HA H 10 4.070 3.846 0.224 1
1 108 . 16 1 1 A 10 10 THR C C 10 176.600 176.371 0.229 1
1 109 . 16 1 1 A 10 10 THR CA C 10 65.300 67.155 -1.855 1
1 110 . 16 1 1 A 10 10 THR CB C 10 68.800 68.490 0.310 1
1 112 . 16 1 1 A 10 10 THR N N 10 113.500 117.735 -4.235 1
1 113 . 16 1 1 A 11 11 GLN H H 11 7.950 7.726 0.224 1
1 114 . 16 1 1 A 11 11 GLN HA H 11 4.160 3.974 0.186 1
1 121 . 16 1 1 A 11 11 GLN C C 11 178.400 178.352 0.048 1
1 122 . 16 1 1 A 11 11 GLN CA C 11 59.000 58.994 0.006 1
1 123 . 16 1 1 A 11 11 GLN CB C 11 29.200 28.361 0.839 1
1 126 . 16 1 1 A 11 11 GLN N N 11 122.500 121.916 0.584 1
1 128 . 16 1 1 A 12 12 VAL H H 12 7.850 8.172 -0.322 1
1 129 . 16 1 1 A 12 12 VAL HA H 12 3.540 3.465 0.075 1
1 137 . 16 1 1 A 12 12 VAL C C 12 177.400 178.240 -0.840 1
1 138 . 16 1 1 A 12 12 VAL CA C 12 66.400 67.114 -0.714 1
1 139 . 16 1 1 A 12 12 VAL CB C 12 32.300 31.407 0.893 1
1 142 . 16 1 1 A 12 12 VAL N N 12 119.000 120.076 -1.076 1
1 143 . 16 1 1 A 13 13 GLU H H 13 8.550 8.091 0.459 1
1 144 . 16 1 1 A 13 13 GLU HA H 13 3.910 4.040 -0.130 1
1 149 . 16 1 1 A 13 13 GLU C C 13 179.500 178.478 1.022 1
1 150 . 16 1 1 A 13 13 GLU CA C 13 59.700 59.413 0.287 1
1 151 . 16 1 1 A 13 13 GLU CB C 13 29.100 29.316 -0.216 1
1 153 . 16 1 1 A 13 13 GLU N N 13 118.300 120.494 -2.194 1
1 154 . 16 1 1 A 14 14 SER H H 14 8.080 7.960 0.120 1
1 155 . 16 1 1 A 14 14 SER HA H 14 4.260 4.250 0.010 1
1 158 . 16 1 1 A 14 14 SER C C 14 176.200 177.510 -1.310 1
1 159 . 16 1 1 A 14 14 SER CA C 14 61.700 61.324 0.376 1
1 160 . 16 1 1 A 14 14 SER CB C 14 62.800 62.903 -0.103 1
1 161 . 16 1 1 A 14 14 SER N N 14 114.600 114.585 0.015 1
1 162 . 16 1 1 A 15 15 LEU H H 15 7.110 8.365 -1.255 1
1 163 . 16 1 1 A 15 15 LEU HA H 15 3.690 4.396 -0.706 1
1 173 . 16 1 1 A 15 15 LEU C C 15 177.800 178.772 -0.972 1
1 174 . 16 1 1 A 15 15 LEU CA C 15 57.700 58.721 -1.021 1
1 175 . 16 1 1 A 15 15 LEU CB C 15 42.300 41.554 0.746 1
1 179 . 16 1 1 A 15 15 LEU N N 15 122.200 122.324 -0.124 1
1 180 . 16 1 1 A 16 16 ILE H H 16 8.030 8.292 -0.262 1
1 181 . 16 1 1 A 16 16 ILE HA H 16 3.220 3.659 -0.439 1
1 191 . 16 1 1 A 16 16 ILE C C 16 177.200 177.631 -0.431 1
1 192 . 16 1 1 A 16 16 ILE CA C 16 66.000 65.940 0.060 1
1 193 . 16 1 1 A 16 16 ILE CB C 16 39.100 37.922 1.178 1
1 197 . 16 1 1 A 16 16 ILE N N 16 117.900 120.445 -2.545 1
1 198 . 16 1 1 A 17 17 ALA H H 17 7.960 8.646 -0.686 1
1 199 . 16 1 1 A 17 17 ALA HA H 17 3.930 3.957 -0.027 1
1 203 . 16 1 1 A 17 17 ALA C C 17 180.600 180.096 0.504 1
1 204 . 16 1 1 A 17 17 ALA CA C 17 55.400 55.617 -0.217 1
1 205 . 16 1 1 A 17 17 ALA CB C 17 18.000 18.321 -0.321 1
1 206 . 16 1 1 A 17 17 ALA N N 17 118.300 122.202 -3.902 1
1 207 . 16 1 1 A 18 18 GLU H H 18 7.630 8.124 -0.494 1
1 208 . 16 1 1 A 18 18 GLU HA H 18 4.030 4.041 -0.011 1
1 213 . 16 1 1 A 18 18 GLU C C 18 179.400 179.535 -0.135 1
1 214 . 16 1 1 A 18 18 GLU CA C 18 59.800 59.497 0.303 1
1 215 . 16 1 1 A 18 18 GLU CB C 18 30.300 29.363 0.937 1
1 217 . 16 1 1 A 18 18 GLU N N 18 116.300 117.936 -1.636 1
1 218 . 16 1 1 A 19 19 ILE H H 19 8.110 7.649 0.461 1
1 219 . 16 1 1 A 19 19 ILE HA H 19 3.590 3.695 -0.105 1
1 229 . 16 1 1 A 19 19 ILE C C 19 177.800 178.390 -0.590 1
1 230 . 16 1 1 A 19 19 ILE CA C 19 66.500 65.005 1.495 1
1 231 . 16 1 1 A 19 19 ILE CB C 19 37.500 37.373 0.127 1
1 235 . 16 1 1 A 19 19 ILE N N 19 121.100 120.704 0.396 1
1 236 . 16 1 1 A 20 20 LEU H H 20 8.480 8.182 0.298 1
1 237 . 16 1 1 A 20 20 LEU HA H 20 4.020 4.068 -0.048 1
1 247 . 16 1 1 A 20 20 LEU C C 20 180.500 178.927 1.573 1
1 248 . 16 1 1 A 20 20 LEU CA C 20 58.600 57.944 0.656 1
1 249 . 16 1 1 A 20 20 LEU CB C 20 40.400 41.650 -1.250 1
1 253 . 16 1 1 A 20 20 LEU N N 20 118.300 120.264 -1.964 1
1 254 . 16 1 1 A 21 21 VAL H H 21 7.810 8.292 -0.482 1
1 255 . 16 1 1 A 21 21 VAL HA H 21 3.770 3.618 0.152 1
1 263 . 16 1 1 A 21 21 VAL C C 21 178.200 178.299 -0.099 1
1 264 . 16 1 1 A 21 21 VAL CA C 21 66.800 66.904 -0.104 1
1 265 . 16 1 1 A 21 21 VAL CB C 21 31.600 31.496 0.104 1
1 268 . 16 1 1 A 21 21 VAL N N 21 119.700 118.753 0.947 1
1 269 . 16 1 1 A 22 22 VAL H H 22 7.530 7.997 -0.467 1
1 270 . 16 1 1 A 22 22 VAL HA H 22 3.610 3.610 0.000 1
1 278 . 16 1 1 A 22 22 VAL C C 22 178.500 178.440 0.060 1
1 279 . 16 1 1 A 22 22 VAL CA C 22 67.300 66.639 0.661 1
1 280 . 16 1 1 A 22 22 VAL CB C 22 31.500 31.614 -0.114 1
1 283 . 16 1 1 A 22 22 VAL N N 22 121.400 120.253 1.147 1
1 284 . 16 1 1 A 23 23 LEU H H 23 7.610 8.075 -0.465 1
1 285 . 16 1 1 A 23 23 LEU HA H 23 3.880 3.984 -0.104 1
1 295 . 16 1 1 A 23 23 LEU C C 23 179.700 179.558 0.142 1
1 296 . 16 1 1 A 23 23 LEU CA C 23 58.400 58.136 0.264 1
1 297 . 16 1 1 A 23 23 LEU CB C 23 40.900 41.070 -0.170 1
1 301 . 16 1 1 A 23 23 LEU N N 23 116.800 120.289 -3.489 1
1 302 . 16 1 1 A 24 24 GLU H H 24 8.160 8.154 0.006 1
1 303 . 16 1 1 A 24 24 GLU HA H 24 4.170 3.976 0.194 1
1 308 . 16 1 1 A 24 24 GLU C C 24 180.900 179.451 1.449 1
1 309 . 16 1 1 A 24 24 GLU CA C 24 59.000 59.578 -0.578 1
1 310 . 16 1 1 A 24 24 GLU CB C 24 29.700 29.211 0.489 1
1 312 . 16 1 1 A 24 24 GLU N N 24 119.200 118.109 1.091 1
1 313 . 16 1 1 A 25 25 LYS H H 25 8.980 8.123 0.857 1
1 314 . 16 1 1 A 25 25 LYS HA H 25 4.050 4.029 0.021 1
1 323 . 16 1 1 A 25 25 LYS C C 25 178.600 178.015 0.585 1
1 324 . 16 1 1 A 25 25 LYS CA C 25 59.300 58.898 0.402 1
1 325 . 16 1 1 A 25 25 LYS CB C 25 32.100 32.182 -0.082 1
1 329 . 16 1 1 A 25 25 LYS N N 25 122.900 120.420 2.480 1
1 330 . 16 1 1 A 26 26 HIS H H 26 7.400 7.434 -0.034 1
1 331 . 16 1 1 A 26 26 HIS HA H 26 4.460 4.634 -0.174 1
1 336 . 16 1 1 A 26 26 HIS C C 26 173.600 174.353 -0.753 1
1 337 . 16 1 1 A 26 26 HIS CA C 26 56.500 55.827 0.673 1
1 338 . 16 1 1 A 26 26 HIS CB C 26 29.200 30.559 -1.359 1
1 341 . 16 1 1 A 26 26 HIS N N 26 113.800 114.449 -0.649 1
1 342 . 16 1 1 A 27 27 LYS H H 27 8.200 7.809 0.391 1
1 343 . 16 1 1 A 27 27 LYS HA H 27 3.950 3.748 0.202 1
1 352 . 16 1 1 A 27 27 LYS C C 27 176.500 175.463 1.037 1
1 353 . 16 1 1 A 27 27 LYS CA C 27 56.600 57.143 -0.543 1
1 354 . 16 1 1 A 27 27 LYS CB C 27 29.600 30.197 -0.597 1
1 358 . 16 1 1 A 27 27 LYS N N 27 119.500 116.438 3.062 1
1 359 . 16 1 1 A 28 28 ALA H H 28 7.760 7.572 0.188 1
1 360 . 16 1 1 A 28 28 ALA HA H 28 4.490 4.530 -0.040 1
1 364 . 16 1 1 A 28 28 ALA CA C 28 51.000 50.298 0.702 1
1 365 . 16 1 1 A 28 28 ALA CB C 28 19.200 19.732 -0.532 1
1 366 . 16 1 1 A 28 28 ALA N N 28 121.500 121.717 -0.217 1
1 367 . 16 1 1 A 29 29 PRO HA H 29 4.720 4.544 0.176 1
1 374 . 16 1 1 A 29 29 PRO C C 29 177.400 177.373 0.027 1
1 375 . 16 1 1 A 29 29 PRO CA C 29 62.100 62.696 -0.596 1
1 376 . 16 1 1 A 29 29 PRO CB C 29 33.000 33.305 -0.305 1
1 379 . 16 1 1 A 30 30 THR H H 30 8.830 8.414 0.416 1
1 380 . 16 1 1 A 30 30 THR HA H 30 3.680 3.940 -0.260 1
1 385 . 16 1 1 A 30 30 THR C C 30 175.200 175.812 -0.612 1
1 386 . 16 1 1 A 30 30 THR CA C 30 67.400 65.620 1.780 1
1 387 . 16 1 1 A 30 30 THR CB C 30 68.500 68.587 -0.087 1
1 389 . 16 1 1 A 30 30 THR N N 30 120.400 116.874 3.526 1
1 390 . 16 1 1 A 31 31 ASP H H 31 8.880 8.114 0.766 1
1 391 . 16 1 1 A 31 31 ASP HA H 31 4.220 4.417 -0.197 1
1 394 . 16 1 1 A 31 31 ASP C C 31 179.000 178.793 0.207 1
1 395 . 16 1 1 A 31 31 ASP CA C 31 57.400 57.122 0.278 1
1 396 . 16 1 1 A 31 31 ASP CB C 31 38.700 40.669 -1.969 1
1 397 . 16 1 1 A 31 31 ASP N N 31 118.600 121.212 -2.612 1
1 398 . 16 1 1 A 32 32 LEU H H 32 7.540 7.922 -0.382 1
1 399 . 16 1 1 A 32 32 LEU HA H 32 3.970 4.027 -0.057 1
1 409 . 16 1 1 A 32 32 LEU C C 32 178.100 178.973 -0.873 1
1 410 . 16 1 1 A 32 32 LEU CA C 32 57.500 57.784 -0.284 1
1 411 . 16 1 1 A 32 32 LEU CB C 32 40.600 41.472 -0.872 1
1 415 . 16 1 1 A 32 32 LEU N N 32 124.300 121.592 2.708 1
1 416 . 16 1 1 A 33 33 SER H H 33 8.420 8.319 0.101 1
1 417 . 16 1 1 A 33 33 SER HA H 33 3.860 4.040 -0.180 1
1 420 . 16 1 1 A 33 33 SER C C 33 175.900 176.064 -0.164 1
1 421 . 16 1 1 A 33 33 SER CA C 33 63.100 62.416 0.684 1
1 422 . 16 1 1 A 33 33 SER CB C 33 62.900 63.139 -0.239 1
1 423 . 16 1 1 A 33 33 SER N N 33 116.000 116.905 -0.905 1
1 424 . 16 1 1 A 34 34 LEU H H 34 8.400 8.328 0.072 1
1 425 . 16 1 1 A 34 34 LEU HA H 34 4.010 4.020 -0.010 1
1 435 . 16 1 1 A 34 34 LEU C C 34 179.500 179.075 0.425 1
1 436 . 16 1 1 A 34 34 LEU CA C 34 58.700 57.941 0.759 1
1 437 . 16 1 1 A 34 34 LEU CB C 34 41.500 41.506 -0.006 1
1 441 . 16 1 1 A 34 34 LEU N N 34 120.400 120.648 -0.248 1
1 442 . 16 1 1 A 35 35 MET H H 35 7.970 8.002 -0.032 1
1 443 . 16 1 1 A 35 35 MET HA H 35 4.210 4.205 0.005 1
1 451 . 16 1 1 A 35 35 MET C C 35 178.900 178.063 0.837 1
1 452 . 16 1 1 A 35 35 MET CA C 35 59.100 59.129 -0.029 1
1 453 . 16 1 1 A 35 35 MET CB C 35 33.100 32.970 0.130 1
1 456 . 16 1 1 A 35 35 MET N N 35 120.300 116.841 3.459 1
1 457 . 16 1 1 A 36 36 ALA H H 36 8.710 8.356 0.354 1
1 458 . 16 1 1 A 36 36 ALA HA H 36 3.900 4.075 -0.175 1
1 462 . 16 1 1 A 36 36 ALA C C 36 179.700 180.034 -0.334 1
1 463 . 16 1 1 A 36 36 ALA CA C 36 55.400 55.169 0.231 1
1 464 . 16 1 1 A 36 36 ALA CB C 36 18.600 18.140 0.460 1
1 465 . 16 1 1 A 36 36 ALA N N 36 121.700 121.274 0.426 1
1 466 . 16 1 1 A 37 37 LEU H H 37 8.750 8.541 0.209 1
1 467 . 16 1 1 A 37 37 LEU HA H 37 3.980 3.950 0.030 1
1 477 . 16 1 1 A 37 37 LEU C C 37 179.600 179.157 0.443 1
1 478 . 16 1 1 A 37 37 LEU CA C 37 59.000 58.128 0.872 1
1 479 . 16 1 1 A 37 37 LEU CB C 37 42.000 42.032 -0.032 1
1 483 . 16 1 1 A 37 37 LEU N N 37 118.100 118.910 -0.810 1
1 484 . 16 1 1 A 38 38 GLY H H 38 8.780 8.314 0.466 1
1 485 . 16 1 1 A 38 38 GLY HA2 H 38 3.650 3.756 -0.106 1
1 486 . 16 1 1 A 38 38 GLY HA3 H 38 3.940 3.768 0.172 1
1 487 . 16 1 1 A 38 38 GLY C C 38 175.600 176.195 -0.595 1
1 488 . 16 1 1 A 38 38 GLY CA C 38 48.300 47.473 0.827 1
1 489 . 16 1 1 A 38 38 GLY N N 38 105.600 105.256 0.344 1
1 490 . 16 1 1 A 39 39 ASN H H 39 8.180 8.306 -0.126 1
1 491 . 16 1 1 A 39 39 ASN HA H 39 4.550 4.490 0.060 1
1 496 . 16 1 1 A 39 39 ASN C C 39 178.400 177.885 0.515 1
1 497 . 16 1 1 A 39 39 ASN CA C 39 56.000 56.141 -0.141 1
1 498 . 16 1 1 A 39 39 ASN CB C 39 39.200 37.909 1.291 1
1 500 . 16 1 1 A 39 39 ASN N N 39 120.000 119.601 0.399 1
1 502 . 16 1 1 A 40 40 CYS H H 40 8.420 7.989 0.431 1
1 503 . 16 1 1 A 40 40 CYS HA H 40 4.010 4.159 -0.149 1
1 506 . 16 1 1 A 40 40 CYS C C 40 176.000 177.187 -1.187 1
1 507 . 16 1 1 A 40 40 CYS CA C 40 65.300 62.186 3.114 1
1 508 . 16 1 1 A 40 40 CYS CB C 40 27.200 27.122 0.078 1
1 509 . 16 1 1 A 40 40 CYS N N 40 120.200 119.306 0.894 1
1 510 . 16 1 1 A 41 41 VAL H H 41 7.830 8.052 -0.222 1
1 511 . 16 1 1 A 41 41 VAL HA H 41 3.250 3.397 -0.147 1
1 519 . 16 1 1 A 41 41 VAL C C 41 177.500 178.563 -1.063 1
1 520 . 16 1 1 A 41 41 VAL CA C 41 67.500 66.990 0.510 1
1 521 . 16 1 1 A 41 41 VAL CB C 41 30.800 31.529 -0.729 1
1 524 . 16 1 1 A 41 41 VAL N N 41 119.400 121.448 -2.048 1
1 525 . 16 1 1 A 42 42 THR H H 42 8.270 8.064 0.206 1
1 526 . 16 1 1 A 42 42 THR HA H 42 3.520 3.875 -0.355 1
1 531 . 16 1 1 A 42 42 THR C C 42 176.200 176.333 -0.133 1
1 532 . 16 1 1 A 42 42 THR CA C 42 67.800 66.726 1.074 1
1 533 . 16 1 1 A 42 42 THR CB C 42 67.800 68.492 -0.692 1
1 535 . 16 1 1 A 42 42 THR N N 42 113.600 115.943 -2.343 1
1 536 . 16 1 1 A 43 43 HIS H H 43 8.250 8.456 -0.206 1
1 537 . 16 1 1 A 43 43 HIS HA H 43 4.310 4.150 0.160 1
1 542 . 16 1 1 A 43 43 HIS C C 43 177.200 176.968 0.232 1
1 543 . 16 1 1 A 43 43 HIS CA C 43 59.300 60.091 -0.791 1
1 544 . 16 1 1 A 43 43 HIS CB C 43 28.900 29.733 -0.833 1
1 547 . 16 1 1 A 43 43 HIS N N 43 120.000 122.098 -2.098 1
1 550 . 16 1 1 A 44 44 LEU H H 44 8.070 8.351 -0.281 1
1 551 . 16 1 1 A 44 44 LEU HA H 44 3.960 3.408 0.552 1
1 561 . 16 1 1 A 44 44 LEU C C 44 179.300 179.720 -0.420 1
1 562 . 16 1 1 A 44 44 LEU CA C 44 58.400 57.205 1.195 1
1 563 . 16 1 1 A 44 44 LEU CB C 44 42.200 41.361 0.839 1
1 567 . 16 1 1 A 44 44 LEU N N 44 119.400 118.408 0.992 1
1 568 . 16 1 1 A 45 45 LEU H H 45 8.410 7.793 0.617 1
1 569 . 16 1 1 A 45 45 LEU HA H 45 3.850 3.848 0.002 1
1 579 . 16 1 1 A 45 45 LEU C C 45 178.700 178.175 0.525 1
1 580 . 16 1 1 A 45 45 LEU CA C 45 58.200 58.034 0.166 1
1 581 . 16 1 1 A 45 45 LEU CB C 45 41.800 40.956 0.844 1
1 585 . 16 1 1 A 45 45 LEU N N 45 118.100 119.681 -1.581 1
1 586 . 16 1 1 A 46 46 GLU H H 46 8.120 8.099 0.021 1
1 587 . 16 1 1 A 46 46 GLU HA H 46 3.740 4.179 -0.439 1
1 592 . 16 1 1 A 46 46 GLU C C 46 178.000 178.101 -0.101 1
1 593 . 16 1 1 A 46 46 GLU CA C 46 58.900 58.601 0.299 1
1 594 . 16 1 1 A 46 46 GLU CB C 46 29.700 29.360 0.340 1
1 596 . 16 1 1 A 46 46 GLU N N 46 115.000 118.737 -3.737 1
1 597 . 16 1 1 A 47 47 ARG H H 47 7.740 7.732 0.008 1
1 598 . 16 1 1 A 47 47 ARG HA H 47 4.270 4.342 -0.072 1
1 606 . 16 1 1 A 47 47 ARG C C 47 178.500 177.543 0.957 1
1 607 . 16 1 1 A 47 47 ARG CA C 47 57.000 57.340 -0.340 1
1 608 . 16 1 1 A 47 47 ARG CB C 47 31.600 31.736 -0.136 1
1 611 . 16 1 1 A 47 47 ARG N N 47 114.000 120.234 -6.234 1
1 613 . 16 1 1 A 48 48 LYS H H 48 8.210 8.369 -0.159 1
1 614 . 16 1 1 A 48 48 LYS HA H 48 4.620 4.460 0.160 1
1 623 . 16 1 1 A 48 48 LYS C C 48 176.400 174.884 1.516 1
1 624 . 16 1 1 A 48 48 LYS CA C 48 55.500 55.496 0.004 1
1 625 . 16 1 1 A 48 48 LYS CB C 48 34.500 33.252 1.248 1
1 629 . 16 1 1 A 48 48 LYS N N 48 114.000 116.630 -2.630 1
1 630 . 16 1 1 A 49 49 VAL H H 49 7.630 7.439 0.191 1
1 631 . 16 1 1 A 49 49 VAL HA H 49 4.710 4.452 0.258 1
1 639 . 16 1 1 A 49 49 VAL CA C 49 59.400 58.495 0.905 1
1 640 . 16 1 1 A 49 49 VAL CB C 49 33.600 35.121 -1.521 1
1 643 . 16 1 1 A 49 49 VAL N N 49 121.800 119.610 2.190 1
1 644 . 16 1 1 A 50 50 PRO HA H 50 4.460 4.493 -0.033 1
1 651 . 16 1 1 A 50 50 PRO C C 50 177.900 177.668 0.232 1
1 652 . 16 1 1 A 50 50 PRO CA C 50 63.200 62.964 0.236 1
1 653 . 16 1 1 A 50 50 PRO CB C 50 32.900 32.613 0.287 1
1 656 . 16 1 1 A 51 51 SER H H 51 8.950 8.753 0.197 1
1 657 . 16 1 1 A 51 51 SER HA H 51 3.910 4.150 -0.240 1
1 660 . 16 1 1 A 51 51 SER C C 51 176.300 176.448 -0.148 1
1 661 . 16 1 1 A 51 51 SER CA C 51 62.800 61.716 1.084 1
1 662 . 16 1 1 A 51 51 SER CB C 51 62.700 62.868 -0.168 1
1 663 . 16 1 1 A 51 51 SER N N 51 119.000 118.739 0.261 1
1 664 . 16 1 1 A 52 52 GLU H H 52 9.480 8.172 1.308 1
1 665 . 16 1 1 A 52 52 GLU HA H 52 4.220 4.183 0.037 1
1 670 . 16 1 1 A 52 52 GLU C C 52 177.000 177.577 -0.577 1
1 671 . 16 1 1 A 52 52 GLU CA C 52 59.200 58.379 0.821 1
1 672 . 16 1 1 A 52 52 GLU CB C 52 28.700 29.325 -0.625 1
1 674 . 16 1 1 A 52 52 GLU N N 52 118.900 121.262 -2.362 1
1 675 . 16 1 1 A 53 53 SER H H 53 7.770 7.688 0.082 1
1 676 . 16 1 1 A 53 53 SER HA H 53 4.940 4.326 0.614 1
1 679 . 16 1 1 A 53 53 SER C C 53 174.200 176.714 -2.514 1
1 680 . 16 1 1 A 53 53 SER CA C 53 58.200 61.231 -3.031 1
1 681 . 16 1 1 A 53 53 SER CB C 53 64.800 63.243 1.557 1
1 682 . 16 1 1 A 53 53 SER N N 53 112.500 115.244 -2.744 1
1 683 . 16 1 1 A 54 54 ARG H H 54 7.380 7.983 -0.603 1
1 684 . 16 1 1 A 54 54 ARG HA H 54 3.630 4.035 -0.405 1
1 696 . 16 1 1 A 54 54 ARG C C 54 177.200 179.023 -1.823 1
1 697 . 16 1 1 A 54 54 ARG CA C 54 61.400 59.904 1.496 1
1 698 . 16 1 1 A 54 54 ARG CB C 54 31.200 30.083 1.117 1
1 701 . 16 1 1 A 54 54 ARG N N 54 122.100 121.442 0.658 1
1 703 . 16 1 1 A 55 55 GLN H H 55 9.010 7.996 1.014 1
1 704 . 16 1 1 A 55 55 GLN HA H 55 3.840 4.106 -0.266 1
1 711 . 16 1 1 A 55 55 GLN C C 55 178.000 178.049 -0.049 1
1 712 . 16 1 1 A 55 55 GLN CA C 55 59.700 58.897 0.803 1
1 713 . 16 1 1 A 55 55 GLN CB C 55 28.100 28.608 -0.508 1
1 716 . 16 1 1 A 55 55 GLN N N 55 118.000 119.417 -1.417 1
1 718 . 16 1 1 A 56 56 ALA H H 56 8.280 7.894 0.386 1
1 719 . 16 1 1 A 56 56 ALA HA H 56 4.190 4.113 0.077 1
1 723 . 16 1 1 A 56 56 ALA C C 56 181.200 179.773 1.427 1
1 724 . 16 1 1 A 56 56 ALA CA C 56 55.200 55.105 0.095 1
1 725 . 16 1 1 A 56 56 ALA CB C 56 17.900 18.559 -0.659 1
1 726 . 16 1 1 A 56 56 ALA N N 56 122.300 122.616 -0.316 1
1 727 . 16 1 1 A 57 57 VAL H H 57 8.150 8.598 -0.448 1
1 728 . 16 1 1 A 57 57 VAL HA H 57 3.740 3.542 0.198 1
1 736 . 16 1 1 A 57 57 VAL C C 57 178.900 178.300 0.600 1
1 737 . 16 1 1 A 57 57 VAL CA C 57 66.700 66.537 0.163 1
1 738 . 16 1 1 A 57 57 VAL CB C 57 31.700 31.531 0.169 1
1 741 . 16 1 1 A 57 57 VAL N N 57 119.600 118.000 1.600 1
1 742 . 16 1 1 A 58 58 ALA H H 58 8.370 8.496 -0.126 1
1 743 . 16 1 1 A 58 58 ALA HA H 58 3.910 4.008 -0.098 1
1 747 . 16 1 1 A 58 58 ALA C C 58 179.500 179.947 -0.447 1
1 748 . 16 1 1 A 58 58 ALA CA C 58 55.800 55.976 -0.176 1
1 749 . 16 1 1 A 58 58 ALA CB C 58 18.500 18.565 -0.065 1
1 750 . 16 1 1 A 58 58 ALA N N 58 123.000 121.951 1.049 1
1 751 . 16 1 1 A 59 59 GLU H H 59 8.630 8.358 0.272 1
1 752 . 16 1 1 A 59 59 GLU HA H 59 4.100 3.978 0.122 1
1 757 . 16 1 1 A 59 59 GLU C C 59 179.400 179.207 0.193 1
1 758 . 16 1 1 A 59 59 GLU CA C 59 59.600 59.778 -0.178 1
1 759 . 16 1 1 A 59 59 GLU CB C 59 29.300 29.441 -0.141 1
1 761 . 16 1 1 A 59 59 GLU N N 59 118.400 117.561 0.839 1
1 762 . 16 1 1 A 60 60 GLN H H 60 8.280 8.342 -0.062 1
1 763 . 16 1 1 A 60 60 GLN HA H 60 4.090 4.065 0.025 1
1 770 . 16 1 1 A 60 60 GLN C C 60 178.700 178.554 0.146 1
1 771 . 16 1 1 A 60 60 GLN CA C 60 59.100 58.776 0.324 1
1 772 . 16 1 1 A 60 60 GLN CB C 60 28.100 28.353 -0.253 1
1 775 . 16 1 1 A 60 60 GLN N N 60 120.400 118.587 1.813 1
1 777 . 16 1 1 A 61 61 PHE H H 61 8.400 8.898 -0.498 1
1 778 . 16 1 1 A 61 61 PHE HA H 61 4.160 4.360 -0.200 1
1 786 . 16 1 1 A 61 61 PHE C C 61 177.600 177.664 -0.064 1
1 787 . 16 1 1 A 61 61 PHE CA C 61 61.400 61.708 -0.308 1
1 788 . 16 1 1 A 61 61 PHE CB C 61 39.100 39.369 -0.269 1
1 794 . 16 1 1 A 61 61 PHE N N 61 122.000 120.935 1.065 1
1 795 . 16 1 1 A 62 62 ALA H H 62 8.620 8.560 0.060 1
1 796 . 16 1 1 A 62 62 ALA HA H 62 3.980 3.965 0.015 1
1 800 . 16 1 1 A 62 62 ALA C C 62 179.700 179.414 0.286 1
1 801 . 16 1 1 A 62 62 ALA CA C 62 55.500 55.464 0.036 1
1 802 . 16 1 1 A 62 62 ALA CB C 62 18.900 18.310 0.590 1
1 803 . 16 1 1 A 62 62 ALA N N 62 122.000 121.643 0.357 1
1 804 . 16 1 1 A 63 63 LYS H H 63 8.470 7.983 0.487 1
1 805 . 16 1 1 A 63 63 LYS HA H 63 4.050 3.969 0.081 1
1 814 . 16 1 1 A 63 63 LYS C C 63 179.200 179.047 0.153 1
1 815 . 16 1 1 A 63 63 LYS CA C 63 59.600 59.218 0.382 1
1 816 . 16 1 1 A 63 63 LYS CB C 63 32.600 32.433 0.167 1
1 820 . 16 1 1 A 63 63 LYS N N 63 119.500 117.057 2.443 1
1 821 . 16 1 1 A 64 64 ALA H H 64 8.000 8.265 -0.265 1
1 822 . 16 1 1 A 64 64 ALA HA H 64 4.100 4.001 0.099 1
1 826 . 16 1 1 A 64 64 ALA C C 64 180.700 180.293 0.407 1
1 827 . 16 1 1 A 64 64 ALA CA C 64 55.000 54.853 0.147 1
1 828 . 16 1 1 A 64 64 ALA CB C 64 17.700 17.927 -0.227 1
1 829 . 16 1 1 A 64 64 ALA N N 64 122.000 122.795 -0.795 1
1 830 . 16 1 1 A 65 65 LEU H H 65 7.830 8.339 -0.509 1
1 831 . 16 1 1 A 65 65 LEU HA H 65 3.950 3.893 0.057 1
1 841 . 16 1 1 A 65 65 LEU C C 65 178.900 178.259 0.641 1
1 842 . 16 1 1 A 65 65 LEU CA C 65 57.800 57.556 0.244 1
1 843 . 16 1 1 A 65 65 LEU CB C 65 41.700 41.319 0.381 1
1 847 . 16 1 1 A 65 65 LEU N N 65 120.600 120.395 0.205 1
1 848 . 16 1 1 A 66 66 ALA H H 66 7.990 8.517 -0.527 1
1 849 . 16 1 1 A 66 66 ALA HA H 66 3.840 3.987 -0.147 1
1 853 . 16 1 1 A 66 66 ALA C C 66 180.300 179.178 1.122 1
1 854 . 16 1 1 A 66 66 ALA CA C 66 55.500 55.066 0.434 1
1 855 . 16 1 1 A 66 66 ALA CB C 66 17.900 18.189 -0.289 1
1 856 . 16 1 1 A 66 66 ALA N N 66 120.900 121.917 -1.017 1
1 857 . 16 1 1 A 67 67 GLN H H 67 8.140 8.496 -0.356 1
1 858 . 16 1 1 A 67 67 GLN HA H 67 4.070 3.987 0.083 1
1 865 . 16 1 1 A 67 67 GLN C C 67 178.400 178.225 0.175 1
1 866 . 16 1 1 A 67 67 GLN CA C 67 58.300 59.097 -0.797 1
1 867 . 16 1 1 A 67 67 GLN CB C 67 28.400 28.579 -0.179 1
1 870 . 16 1 1 A 67 67 GLN N N 67 116.600 118.766 -2.166 1
1 872 . 16 1 1 A 68 68 SER H H 68 8.120 8.003 0.117 1
1 873 . 16 1 1 A 68 68 SER HA H 68 4.220 4.157 0.063 1
1 876 . 16 1 1 A 68 68 SER C C 68 176.500 176.496 0.004 1
1 877 . 16 1 1 A 68 68 SER CA C 68 61.500 62.674 -1.174 1
1 878 . 16 1 1 A 68 68 SER CB C 68 63.000 62.949 0.051 1
1 879 . 16 1 1 A 68 68 SER N N 68 116.700 117.146 -0.446 1
1 880 . 16 1 1 A 69 69 VAL H H 69 7.660 7.722 -0.062 1
1 881 . 16 1 1 A 69 69 VAL HA H 69 3.860 3.624 0.236 1
1 889 . 16 1 1 A 69 69 VAL C C 69 177.400 178.018 -0.618 1
1 890 . 16 1 1 A 69 69 VAL CA C 69 64.900 66.504 -1.604 1
1 891 . 16 1 1 A 69 69 VAL CB C 69 31.900 31.696 0.204 1
1 894 . 16 1 1 A 69 69 VAL N N 69 119.800 121.627 -1.827 1
1 895 . 16 1 1 A 70 70 LYS H H 70 7.860 8.472 -0.612 1
1 896 . 16 1 1 A 70 70 LYS HA H 70 4.040 4.010 0.030 1
1 905 . 16 1 1 A 70 70 LYS C C 70 178.400 178.750 -0.350 1
1 906 . 16 1 1 A 70 70 LYS CA C 70 59.200 59.074 0.126 1
1 907 . 16 1 1 A 70 70 LYS CB C 70 32.800 32.273 0.527 1
1 911 . 16 1 1 A 70 70 LYS N N 70 121.300 121.344 -0.044 1
1 912 . 16 1 1 A 71 71 SER H H 71 8.390 8.565 -0.175 1
1 913 . 16 1 1 A 71 71 SER HA H 71 4.280 4.418 -0.138 1
1 916 . 16 1 1 A 71 71 SER C C 71 176.000 175.684 0.316 1
1 917 . 16 1 1 A 71 71 SER CA C 71 60.700 60.203 0.497 1
1 918 . 16 1 1 A 71 71 SER CB C 71 63.300 63.305 -0.005 1
1 919 . 16 1 1 A 71 71 SER N N 71 114.400 117.044 -2.644 1
1 920 . 16 1 1 A 72 72 ASN H H 72 7.940 8.296 -0.356 1
1 921 . 16 1 1 A 72 72 ASN HA H 72 4.630 4.496 0.134 1
1 926 . 16 1 1 A 72 72 ASN C C 72 176.700 176.607 0.093 1
1 927 . 16 1 1 A 72 72 ASN CA C 72 55.000 56.192 -1.192 1
1 928 . 16 1 1 A 72 72 ASN CB C 72 39.000 38.800 0.200 1
1 930 . 16 1 1 A 72 72 ASN N N 72 119.700 119.326 0.374 1
1 932 . 16 1 1 A 73 73 LEU H H 73 7.900 7.384 0.516 1
1 933 . 16 1 1 A 73 73 LEU HA H 73 4.180 4.261 -0.081 1
1 943 . 16 1 1 A 73 73 LEU C C 73 178.400 176.837 1.563 1
1 944 . 16 1 1 A 73 73 LEU CA C 73 56.700 57.264 -0.564 1
1 945 . 16 1 1 A 73 73 LEU CB C 73 42.300 42.081 0.219 1
1 949 . 16 1 1 A 73 73 LEU N N 73 121.000 117.764 3.236 1
1 950 . 16 1 1 A 74 74 GLU H H 74 8.060 8.411 -0.351 1
1 951 . 16 1 1 A 74 74 GLU HA H 74 4.120 3.799 0.321 1
1 956 . 16 1 1 A 74 74 GLU C C 74 177.100 175.672 1.428 1
1 957 . 16 1 1 A 74 74 GLU CA C 74 57.400 57.139 0.261 1
1 958 . 16 1 1 A 74 74 GLU CB C 74 29.900 28.020 1.880 1
1 960 . 16 1 1 A 74 74 GLU N N 74 119.300 118.502 0.798 1
1 961 . 16 1 1 A 75 75 HIS H H 75 8.140 7.738 0.402 1
1 962 . 16 1 1 A 75 75 HIS HA H 75 4.590 4.395 0.195 1
1 966 . 16 1 1 A 75 75 HIS C C 75 174.900 174.714 0.186 1
1 967 . 16 1 1 A 75 75 HIS CA C 75 56.100 56.006 0.094 1
1 968 . 16 1 1 A 75 75 HIS CB C 75 29.000 30.326 -1.326 1
1 970 . 16 1 1 A 75 75 HIS N N 75 117.500 115.329 2.171 1
1 971 . 16 1 1 A 76 76 HIS H H 76 8.240 8.358 -0.118 1
1 972 . 16 1 1 A 76 76 HIS C C 76 174.500 176.102 -1.602 1
1 973 . 16 1 1 A 76 76 HIS CA C 76 55.900 55.890 0.010 1
1 974 . 16 1 1 A 76 76 HIS CB C 76 29.300 30.341 -1.041 1
1 975 . 16 1 1 A 76 76 HIS N N 76 118.300 118.702 -0.402 1
1 976 . 16 1 1 A 77 77 HIS H H 77 8.400 8.589 -0.189 1
1 977 . 16 1 1 A 77 77 HIS HA H 77 4.640 3.982 0.658 1
1 980 . 16 1 1 A 77 77 HIS C C 77 173.700 175.721 -2.021 1
1 981 . 16 1 1 A 77 77 HIS CA C 77 55.700 59.334 -3.634 1
1 982 . 16 1 1 A 77 77 HIS CB C 77 29.700 30.024 -0.324 1
1 983 . 16 1 1 A 77 77 HIS N N 77 119.300 121.268 -1.968 1
1 984 . 16 1 1 A 78 78 HIS H H 78 8.330 8.238 0.092 1
1 985 . 16 1 1 A 78 78 HIS CA C 78 57.200 57.675 -0.475 1
1 986 . 16 1 1 A 78 78 HIS CB C 78 29.900 29.417 0.483 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 4.140 4.636 -0.496 1
1 5 . 17 1 1 A 2 2 ALA C C 2 173.800 177.404 -3.604 1
1 6 . 17 1 1 A 2 2 ALA CA C 2 51.800 51.300 0.500 1
1 7 . 17 1 1 A 2 2 ALA CB C 2 19.600 19.386 0.214 1
1 8 . 17 1 1 A 3 3 ILE H H 3 8.540 7.266 1.274 1
1 9 . 17 1 1 A 3 3 ILE HA H 3 4.190 4.129 0.061 1
1 19 . 17 1 1 A 3 3 ILE C C 3 176.000 175.681 0.319 1
1 20 . 17 1 1 A 3 3 ILE CA C 3 61.300 61.019 0.281 1
1 21 . 17 1 1 A 3 3 ILE CB C 3 38.800 38.565 0.235 1
1 25 . 17 1 1 A 3 3 ILE N N 3 120.500 115.597 4.903 1
1 26 . 17 1 1 A 4 4 GLN H H 4 8.570 8.872 -0.302 1
1 27 . 17 1 1 A 4 4 GLN HA H 4 4.400 3.751 0.649 1
1 34 . 17 1 1 A 4 4 GLN C C 4 175.700 174.981 0.719 1
1 35 . 17 1 1 A 4 4 GLN CA C 4 55.800 56.658 -0.858 1
1 36 . 17 1 1 A 4 4 GLN CB C 4 29.600 26.930 2.670 1
1 39 . 17 1 1 A 4 4 GLN N N 4 125.100 119.654 5.446 1
1 41 . 17 1 1 A 5 5 SER H H 5 8.440 7.977 0.463 1
1 42 . 17 1 1 A 5 5 SER HA H 5 4.420 4.563 -0.143 1
1 45 . 17 1 1 A 5 5 SER C C 5 174.300 174.140 0.160 1
1 46 . 17 1 1 A 5 5 SER CA C 5 58.200 57.943 0.257 1
1 47 . 17 1 1 A 5 5 SER CB C 5 64.000 61.533 2.467 1
1 48 . 17 1 1 A 5 5 SER N N 5 118.100 113.773 4.327 1
1 49 . 17 1 1 A 6 6 LYS H H 6 8.320 8.121 0.199 1
1 50 . 17 1 1 A 6 6 LYS HA H 6 4.110 3.985 0.125 1
1 59 . 17 1 1 A 6 6 LYS C C 6 176.000 176.321 -0.321 1
1 60 . 17 1 1 A 6 6 LYS CA C 6 57.200 57.854 -0.654 1
1 61 . 17 1 1 A 6 6 LYS CB C 6 33.100 32.520 0.580 1
1 65 . 17 1 1 A 6 6 LYS N N 6 123.600 127.176 -3.576 1
1 66 . 17 1 1 A 7 7 TYR H H 7 8.000 7.585 0.415 1
1 67 . 17 1 1 A 7 7 TYR HA H 7 4.800 5.286 -0.486 1
1 74 . 17 1 1 A 7 7 TYR C C 7 175.800 175.156 0.644 1
1 75 . 17 1 1 A 7 7 TYR CA C 7 57.000 56.748 0.252 1
1 76 . 17 1 1 A 7 7 TYR CB C 7 39.900 42.606 -2.706 1
1 81 . 17 1 1 A 7 7 TYR N N 7 118.900 116.289 2.611 1
1 82 . 17 1 1 A 8 8 SER H H 8 8.770 9.076 -0.306 1
1 83 . 17 1 1 A 8 8 SER HA H 8 4.510 4.536 -0.026 1
1 86 . 17 1 1 A 8 8 SER C C 8 175.000 175.615 -0.615 1
1 87 . 17 1 1 A 8 8 SER CA C 8 57.500 59.251 -1.751 1
1 88 . 17 1 1 A 8 8 SER CB C 8 64.700 63.489 1.211 1
1 89 . 17 1 1 A 8 8 SER N N 8 118.600 120.724 -2.124 1
1 90 . 17 1 1 A 9 9 ASN H H 9 8.910 9.126 -0.216 1
1 91 . 17 1 1 A 9 9 ASN HA H 9 4.540 4.382 0.158 1
1 96 . 17 1 1 A 9 9 ASN C C 9 177.200 177.100 0.100 1
1 97 . 17 1 1 A 9 9 ASN CA C 9 55.900 56.920 -1.020 1
1 98 . 17 1 1 A 9 9 ASN CB C 9 38.200 38.377 -0.177 1
1 100 . 17 1 1 A 9 9 ASN N N 9 121.400 124.574 -3.174 1
1 102 . 17 1 1 A 10 10 THR H H 10 8.180 8.155 0.025 1
1 103 . 17 1 1 A 10 10 THR HA H 10 4.070 3.825 0.245 1
1 108 . 17 1 1 A 10 10 THR C C 10 176.600 176.491 0.109 1
1 109 . 17 1 1 A 10 10 THR CA C 10 65.300 67.198 -1.898 1
1 110 . 17 1 1 A 10 10 THR CB C 10 68.800 68.763 0.037 1
1 112 . 17 1 1 A 10 10 THR N N 10 113.500 116.517 -3.017 1
1 113 . 17 1 1 A 11 11 GLN H H 11 7.950 7.733 0.217 1
1 114 . 17 1 1 A 11 11 GLN HA H 11 4.160 4.007 0.153 1
1 121 . 17 1 1 A 11 11 GLN C C 11 178.400 178.463 -0.063 1
1 122 . 17 1 1 A 11 11 GLN CA C 11 59.000 58.904 0.096 1
1 123 . 17 1 1 A 11 11 GLN CB C 11 29.200 28.869 0.331 1
1 126 . 17 1 1 A 11 11 GLN N N 11 122.500 120.694 1.806 1
1 128 . 17 1 1 A 12 12 VAL H H 12 7.850 7.729 0.121 1
1 129 . 17 1 1 A 12 12 VAL HA H 12 3.540 3.497 0.043 1
1 137 . 17 1 1 A 12 12 VAL C C 12 177.400 178.065 -0.665 1
1 138 . 17 1 1 A 12 12 VAL CA C 12 66.400 66.816 -0.416 1
1 139 . 17 1 1 A 12 12 VAL CB C 12 32.300 31.357 0.943 1
1 142 . 17 1 1 A 12 12 VAL N N 12 119.000 119.679 -0.679 1
1 143 . 17 1 1 A 13 13 GLU H H 13 8.550 8.904 -0.354 1
1 144 . 17 1 1 A 13 13 GLU HA H 13 3.910 3.971 -0.061 1
1 149 . 17 1 1 A 13 13 GLU C C 13 179.500 178.765 0.735 1
1 150 . 17 1 1 A 13 13 GLU CA C 13 59.700 59.744 -0.044 1
1 151 . 17 1 1 A 13 13 GLU CB C 13 29.100 29.394 -0.294 1
1 153 . 17 1 1 A 13 13 GLU N N 13 118.300 120.695 -2.395 1
1 154 . 17 1 1 A 14 14 SER H H 14 8.080 8.012 0.068 1
1 155 . 17 1 1 A 14 14 SER HA H 14 4.260 4.195 0.065 1
1 158 . 17 1 1 A 14 14 SER C C 14 176.200 177.031 -0.831 1
1 159 . 17 1 1 A 14 14 SER CA C 14 61.700 61.400 0.300 1
1 160 . 17 1 1 A 14 14 SER CB C 14 62.800 62.640 0.160 1
1 161 . 17 1 1 A 14 14 SER N N 14 114.600 115.824 -1.224 1
1 162 . 17 1 1 A 15 15 LEU H H 15 7.110 8.164 -1.054 1
1 163 . 17 1 1 A 15 15 LEU HA H 15 3.690 4.033 -0.343 1
1 173 . 17 1 1 A 15 15 LEU C C 15 177.800 178.809 -1.009 1
1 174 . 17 1 1 A 15 15 LEU CA C 15 57.700 58.465 -0.765 1
1 175 . 17 1 1 A 15 15 LEU CB C 15 42.300 41.868 0.432 1
1 179 . 17 1 1 A 15 15 LEU N N 15 122.200 124.216 -2.016 1
1 180 . 17 1 1 A 16 16 ILE H H 16 8.030 8.509 -0.479 1
1 181 . 17 1 1 A 16 16 ILE HA H 16 3.220 3.606 -0.386 1
1 191 . 17 1 1 A 16 16 ILE C C 16 177.200 177.903 -0.703 1
1 192 . 17 1 1 A 16 16 ILE CA C 16 66.000 65.793 0.207 1
1 193 . 17 1 1 A 16 16 ILE CB C 16 39.100 37.727 1.373 1
1 197 . 17 1 1 A 16 16 ILE N N 16 117.900 119.890 -1.990 1
1 198 . 17 1 1 A 17 17 ALA H H 17 7.960 8.384 -0.424 1
1 199 . 17 1 1 A 17 17 ALA HA H 17 3.930 3.975 -0.045 1
1 203 . 17 1 1 A 17 17 ALA C C 17 180.600 180.258 0.342 1
1 204 . 17 1 1 A 17 17 ALA CA C 17 55.400 55.929 -0.529 1
1 205 . 17 1 1 A 17 17 ALA CB C 17 18.000 18.365 -0.365 1
1 206 . 17 1 1 A 17 17 ALA N N 17 118.300 122.237 -3.937 1
1 207 . 17 1 1 A 18 18 GLU H H 18 7.630 7.924 -0.294 1
1 208 . 17 1 1 A 18 18 GLU HA H 18 4.030 4.018 0.012 1
1 213 . 17 1 1 A 18 18 GLU C C 18 179.400 179.451 -0.051 1
1 214 . 17 1 1 A 18 18 GLU CA C 18 59.800 59.077 0.723 1
1 215 . 17 1 1 A 18 18 GLU CB C 18 30.300 29.513 0.787 1
1 217 . 17 1 1 A 18 18 GLU N N 18 116.300 117.805 -1.505 1
1 218 . 17 1 1 A 19 19 ILE H H 19 8.110 7.642 0.468 1
1 219 . 17 1 1 A 19 19 ILE HA H 19 3.590 3.634 -0.044 1
1 229 . 17 1 1 A 19 19 ILE C C 19 177.800 178.749 -0.949 1
1 230 . 17 1 1 A 19 19 ILE CA C 19 66.500 65.746 0.754 1
1 231 . 17 1 1 A 19 19 ILE CB C 19 37.500 37.762 -0.262 1
1 235 . 17 1 1 A 19 19 ILE N N 19 121.100 120.747 0.353 1
1 236 . 17 1 1 A 20 20 LEU H H 20 8.480 7.928 0.552 1
1 237 . 17 1 1 A 20 20 LEU HA H 20 4.020 4.074 -0.054 1
1 247 . 17 1 1 A 20 20 LEU C C 20 180.500 179.056 1.444 1
1 248 . 17 1 1 A 20 20 LEU CA C 20 58.600 57.950 0.650 1
1 249 . 17 1 1 A 20 20 LEU CB C 20 40.400 41.623 -1.223 1
1 253 . 17 1 1 A 20 20 LEU N N 20 118.300 118.669 -0.369 1
1 254 . 17 1 1 A 21 21 VAL H H 21 7.810 8.149 -0.339 1
1 255 . 17 1 1 A 21 21 VAL HA H 21 3.770 3.688 0.082 1
1 263 . 17 1 1 A 21 21 VAL C C 21 178.200 178.546 -0.346 1
1 264 . 17 1 1 A 21 21 VAL CA C 21 66.800 66.915 -0.115 1
1 265 . 17 1 1 A 21 21 VAL CB C 21 31.600 31.512 0.088 1
1 268 . 17 1 1 A 21 21 VAL N N 21 119.700 119.063 0.637 1
1 269 . 17 1 1 A 22 22 VAL H H 22 7.530 8.097 -0.567 1
1 270 . 17 1 1 A 22 22 VAL HA H 22 3.610 3.612 -0.002 1
1 278 . 17 1 1 A 22 22 VAL C C 22 178.500 178.089 0.411 1
1 279 . 17 1 1 A 22 22 VAL CA C 22 67.300 66.887 0.413 1
1 280 . 17 1 1 A 22 22 VAL CB C 22 31.500 31.583 -0.083 1
1 283 . 17 1 1 A 22 22 VAL N N 22 121.400 120.132 1.268 1
1 284 . 17 1 1 A 23 23 LEU H H 23 7.610 7.910 -0.300 1
1 285 . 17 1 1 A 23 23 LEU HA H 23 3.880 3.895 -0.015 1
1 295 . 17 1 1 A 23 23 LEU C C 23 179.700 179.379 0.321 1
1 296 . 17 1 1 A 23 23 LEU CA C 23 58.400 58.339 0.061 1
1 297 . 17 1 1 A 23 23 LEU CB C 23 40.900 41.193 -0.293 1
1 301 . 17 1 1 A 23 23 LEU N N 23 116.800 118.449 -1.649 1
1 302 . 17 1 1 A 24 24 GLU H H 24 8.160 8.486 -0.326 1
1 303 . 17 1 1 A 24 24 GLU HA H 24 4.170 4.064 0.106 1
1 308 . 17 1 1 A 24 24 GLU C C 24 180.900 178.603 2.297 1
1 309 . 17 1 1 A 24 24 GLU CA C 24 59.000 59.293 -0.293 1
1 310 . 17 1 1 A 24 24 GLU CB C 24 29.700 29.138 0.562 1
1 312 . 17 1 1 A 24 24 GLU N N 24 119.200 119.869 -0.669 1
1 313 . 17 1 1 A 25 25 LYS H H 25 8.980 8.163 0.817 1
1 314 . 17 1 1 A 25 25 LYS HA H 25 4.050 4.080 -0.030 1
1 323 . 17 1 1 A 25 25 LYS C C 25 178.600 178.230 0.370 1
1 324 . 17 1 1 A 25 25 LYS CA C 25 59.300 58.888 0.412 1
1 325 . 17 1 1 A 25 25 LYS CB C 25 32.100 32.075 0.025 1
1 329 . 17 1 1 A 25 25 LYS N N 25 122.900 119.747 3.153 1
1 330 . 17 1 1 A 26 26 HIS H H 26 7.400 7.630 -0.230 1
1 331 . 17 1 1 A 26 26 HIS HA H 26 4.460 4.595 -0.135 1
1 336 . 17 1 1 A 26 26 HIS C C 26 173.600 174.495 -0.895 1
1 337 . 17 1 1 A 26 26 HIS CA C 26 56.500 55.587 0.913 1
1 338 . 17 1 1 A 26 26 HIS CB C 26 29.200 30.040 -0.840 1
1 341 . 17 1 1 A 26 26 HIS N N 26 113.800 114.061 -0.261 1
1 342 . 17 1 1 A 27 27 LYS H H 27 8.200 7.982 0.218 1
1 343 . 17 1 1 A 27 27 LYS HA H 27 3.950 3.920 0.030 1
1 352 . 17 1 1 A 27 27 LYS C C 27 176.500 175.792 0.708 1
1 353 . 17 1 1 A 27 27 LYS CA C 27 56.600 57.119 -0.519 1
1 354 . 17 1 1 A 27 27 LYS CB C 27 29.600 30.086 -0.486 1
1 358 . 17 1 1 A 27 27 LYS N N 27 119.500 117.551 1.949 1
1 359 . 17 1 1 A 28 28 ALA H H 28 7.760 7.621 0.139 1
1 360 . 17 1 1 A 28 28 ALA HA H 28 4.490 4.441 0.049 1
1 364 . 17 1 1 A 28 28 ALA CA C 28 51.000 50.835 0.165 1
1 365 . 17 1 1 A 28 28 ALA CB C 28 19.200 18.608 0.592 1
1 366 . 17 1 1 A 28 28 ALA N N 28 121.500 123.391 -1.891 1
1 367 . 17 1 1 A 29 29 PRO HA H 29 4.720 4.505 0.215 1
1 374 . 17 1 1 A 29 29 PRO C C 29 177.400 177.486 -0.086 1
1 375 . 17 1 1 A 29 29 PRO CA C 29 62.100 62.759 -0.659 1
1 376 . 17 1 1 A 29 29 PRO CB C 29 33.000 32.663 0.337 1
1 379 . 17 1 1 A 30 30 THR H H 30 8.830 8.397 0.433 1
1 380 . 17 1 1 A 30 30 THR HA H 30 3.680 3.936 -0.256 1
1 385 . 17 1 1 A 30 30 THR C C 30 175.200 175.669 -0.469 1
1 386 . 17 1 1 A 30 30 THR CA C 30 67.400 65.616 1.784 1
1 387 . 17 1 1 A 30 30 THR CB C 30 68.500 68.611 -0.111 1
1 389 . 17 1 1 A 30 30 THR N N 30 120.400 117.742 2.658 1
1 390 . 17 1 1 A 31 31 ASP H H 31 8.880 8.726 0.154 1
1 391 . 17 1 1 A 31 31 ASP HA H 31 4.220 4.369 -0.149 1
1 394 . 17 1 1 A 31 31 ASP C C 31 179.000 178.573 0.427 1
1 395 . 17 1 1 A 31 31 ASP CA C 31 57.400 56.672 0.728 1
1 396 . 17 1 1 A 31 31 ASP CB C 31 38.700 39.698 -0.998 1
1 397 . 17 1 1 A 31 31 ASP N N 31 118.600 119.555 -0.955 1
1 398 . 17 1 1 A 32 32 LEU H H 32 7.540 7.989 -0.449 1
1 399 . 17 1 1 A 32 32 LEU HA H 32 3.970 4.123 -0.153 1
1 409 . 17 1 1 A 32 32 LEU C C 32 178.100 178.743 -0.643 1
1 410 . 17 1 1 A 32 32 LEU CA C 32 57.500 57.504 -0.004 1
1 411 . 17 1 1 A 32 32 LEU CB C 32 40.600 41.877 -1.277 1
1 415 . 17 1 1 A 32 32 LEU N N 32 124.300 123.792 0.508 1
1 416 . 17 1 1 A 33 33 SER H H 33 8.420 8.296 0.124 1
1 417 . 17 1 1 A 33 33 SER HA H 33 3.860 4.044 -0.184 1
1 420 . 17 1 1 A 33 33 SER C C 33 175.900 176.455 -0.555 1
1 421 . 17 1 1 A 33 33 SER CA C 33 63.100 62.359 0.741 1
1 422 . 17 1 1 A 33 33 SER CB C 33 62.900 63.170 -0.270 1
1 423 . 17 1 1 A 33 33 SER N N 33 116.000 116.882 -0.882 1
1 424 . 17 1 1 A 34 34 LEU H H 34 8.400 8.220 0.180 1
1 425 . 17 1 1 A 34 34 LEU HA H 34 4.010 4.021 -0.011 1
1 435 . 17 1 1 A 34 34 LEU C C 34 179.500 178.859 0.641 1
1 436 . 17 1 1 A 34 34 LEU CA C 34 58.700 57.805 0.895 1
1 437 . 17 1 1 A 34 34 LEU CB C 34 41.500 41.219 0.281 1
1 441 . 17 1 1 A 34 34 LEU N N 34 120.400 120.677 -0.277 1
1 442 . 17 1 1 A 35 35 MET H H 35 7.970 8.210 -0.240 1
1 443 . 17 1 1 A 35 35 MET HA H 35 4.210 4.063 0.147 1
1 451 . 17 1 1 A 35 35 MET C C 35 178.900 177.988 0.912 1
1 452 . 17 1 1 A 35 35 MET CA C 35 59.100 58.519 0.581 1
1 453 . 17 1 1 A 35 35 MET CB C 35 33.100 32.327 0.773 1
1 456 . 17 1 1 A 35 35 MET N N 35 120.300 118.587 1.713 1
1 457 . 17 1 1 A 36 36 ALA H H 36 8.710 7.835 0.875 1
1 458 . 17 1 1 A 36 36 ALA HA H 36 3.900 4.148 -0.248 1
1 462 . 17 1 1 A 36 36 ALA C C 36 179.700 179.452 0.248 1
1 463 . 17 1 1 A 36 36 ALA CA C 36 55.400 55.136 0.264 1
1 464 . 17 1 1 A 36 36 ALA CB C 36 18.600 18.166 0.434 1
1 465 . 17 1 1 A 36 36 ALA N N 36 121.700 121.586 0.114 1
1 466 . 17 1 1 A 37 37 LEU H H 37 8.750 8.140 0.610 1
1 467 . 17 1 1 A 37 37 LEU HA H 37 3.980 3.996 -0.016 1
1 477 . 17 1 1 A 37 37 LEU C C 37 179.600 178.830 0.770 1
1 478 . 17 1 1 A 37 37 LEU CA C 37 59.000 57.734 1.266 1
1 479 . 17 1 1 A 37 37 LEU CB C 37 42.000 42.023 -0.023 1
1 483 . 17 1 1 A 37 37 LEU N N 37 118.100 119.949 -1.849 1
1 484 . 17 1 1 A 38 38 GLY H H 38 8.780 8.664 0.116 1
1 485 . 17 1 1 A 38 38 GLY HA2 H 38 3.650 3.752 -0.102 1
1 486 . 17 1 1 A 38 38 GLY HA3 H 38 3.940 3.764 0.176 1
1 487 . 17 1 1 A 38 38 GLY C C 38 175.600 175.889 -0.289 1
1 488 . 17 1 1 A 38 38 GLY CA C 38 48.300 47.457 0.843 1
1 489 . 17 1 1 A 38 38 GLY N N 38 105.600 106.177 -0.577 1
1 490 . 17 1 1 A 39 39 ASN H H 39 8.180 8.253 -0.073 1
1 491 . 17 1 1 A 39 39 ASN HA H 39 4.550 4.493 0.057 1
1 496 . 17 1 1 A 39 39 ASN C C 39 178.400 177.813 0.587 1
1 497 . 17 1 1 A 39 39 ASN CA C 39 56.000 56.154 -0.154 1
1 498 . 17 1 1 A 39 39 ASN CB C 39 39.200 38.311 0.889 1
1 500 . 17 1 1 A 39 39 ASN N N 39 120.000 119.723 0.277 1
1 502 . 17 1 1 A 40 40 CYS H H 40 8.420 8.464 -0.044 1
1 503 . 17 1 1 A 40 40 CYS HA H 40 4.010 4.363 -0.353 1
1 506 . 17 1 1 A 40 40 CYS C C 40 176.000 177.229 -1.229 1
1 507 . 17 1 1 A 40 40 CYS CA C 40 65.300 63.550 1.750 1
1 508 . 17 1 1 A 40 40 CYS CB C 40 27.200 26.716 0.484 1
1 509 . 17 1 1 A 40 40 CYS N N 40 120.200 118.200 2.000 1
1 510 . 17 1 1 A 41 41 VAL H H 41 7.830 8.676 -0.846 1
1 511 . 17 1 1 A 41 41 VAL HA H 41 3.250 3.550 -0.300 1
1 519 . 17 1 1 A 41 41 VAL C C 41 177.500 177.678 -0.178 1
1 520 . 17 1 1 A 41 41 VAL CA C 41 67.500 67.006 0.494 1
1 521 . 17 1 1 A 41 41 VAL CB C 41 30.800 31.794 -0.994 1
1 524 . 17 1 1 A 41 41 VAL N N 41 119.400 120.679 -1.279 1
1 525 . 17 1 1 A 42 42 THR H H 42 8.270 7.987 0.283 1
1 526 . 17 1 1 A 42 42 THR HA H 42 3.520 3.999 -0.479 1
1 531 . 17 1 1 A 42 42 THR C C 42 176.200 177.080 -0.880 1
1 532 . 17 1 1 A 42 42 THR CA C 42 67.800 65.294 2.506 1
1 533 . 17 1 1 A 42 42 THR CB C 42 67.800 68.798 -0.998 1
1 535 . 17 1 1 A 42 42 THR N N 42 113.600 115.003 -1.403 1
1 536 . 17 1 1 A 43 43 HIS H H 43 8.250 8.370 -0.120 1
1 537 . 17 1 1 A 43 43 HIS HA H 43 4.310 4.669 -0.359 1
1 542 . 17 1 1 A 43 43 HIS C C 43 177.200 177.185 0.015 1
1 543 . 17 1 1 A 43 43 HIS CA C 43 59.300 58.186 1.114 1
1 544 . 17 1 1 A 43 43 HIS CB C 43 28.900 28.720 0.180 1
1 547 . 17 1 1 A 43 43 HIS N N 43 120.000 120.290 -0.290 1
1 550 . 17 1 1 A 44 44 LEU H H 44 8.070 7.597 0.473 1
1 551 . 17 1 1 A 44 44 LEU HA H 44 3.960 3.445 0.515 1
1 561 . 17 1 1 A 44 44 LEU C C 44 179.300 179.204 0.096 1
1 562 . 17 1 1 A 44 44 LEU CA C 44 58.400 57.169 1.231 1
1 563 . 17 1 1 A 44 44 LEU CB C 44 42.200 41.059 1.141 1
1 567 . 17 1 1 A 44 44 LEU N N 44 119.400 120.980 -1.580 1
1 568 . 17 1 1 A 45 45 LEU H H 45 8.410 7.596 0.814 1
1 569 . 17 1 1 A 45 45 LEU HA H 45 3.850 3.861 -0.011 1
1 579 . 17 1 1 A 45 45 LEU C C 45 178.700 179.155 -0.455 1
1 580 . 17 1 1 A 45 45 LEU CA C 45 58.200 57.744 0.456 1
1 581 . 17 1 1 A 45 45 LEU CB C 45 41.800 41.174 0.626 1
1 585 . 17 1 1 A 45 45 LEU N N 45 118.100 119.406 -1.306 1
1 586 . 17 1 1 A 46 46 GLU H H 46 8.120 7.697 0.423 1
1 587 . 17 1 1 A 46 46 GLU HA H 46 3.740 3.937 -0.197 1
1 592 . 17 1 1 A 46 46 GLU C C 46 178.000 178.061 -0.061 1
1 593 . 17 1 1 A 46 46 GLU CA C 46 58.900 59.766 -0.866 1
1 594 . 17 1 1 A 46 46 GLU CB C 46 29.700 29.137 0.563 1
1 596 . 17 1 1 A 46 46 GLU N N 46 115.000 119.134 -4.134 1
1 597 . 17 1 1 A 47 47 ARG H H 47 7.740 8.101 -0.361 1
1 598 . 17 1 1 A 47 47 ARG HA H 47 4.270 4.426 -0.156 1
1 606 . 17 1 1 A 47 47 ARG C C 47 178.500 176.814 1.686 1
1 607 . 17 1 1 A 47 47 ARG CA C 47 57.000 55.839 1.161 1
1 608 . 17 1 1 A 47 47 ARG CB C 47 31.600 30.753 0.847 1
1 611 . 17 1 1 A 47 47 ARG N N 47 114.000 115.749 -1.749 1
1 613 . 17 1 1 A 48 48 LYS H H 48 8.210 7.444 0.766 1
1 614 . 17 1 1 A 48 48 LYS HA H 48 4.620 4.381 0.239 1
1 623 . 17 1 1 A 48 48 LYS C C 48 176.400 176.027 0.373 1
1 624 . 17 1 1 A 48 48 LYS CA C 48 55.500 56.247 -0.747 1
1 625 . 17 1 1 A 48 48 LYS CB C 48 34.500 34.800 -0.300 1
1 629 . 17 1 1 A 48 48 LYS N N 48 114.000 116.800 -2.800 1
1 630 . 17 1 1 A 49 49 VAL H H 49 7.630 7.385 0.245 1
1 631 . 17 1 1 A 49 49 VAL HA H 49 4.710 4.500 0.210 1
1 639 . 17 1 1 A 49 49 VAL CA C 49 59.400 58.471 0.929 1
1 640 . 17 1 1 A 49 49 VAL CB C 49 33.600 34.928 -1.328 1
1 643 . 17 1 1 A 49 49 VAL N N 49 121.800 118.189 3.611 1
1 644 . 17 1 1 A 50 50 PRO HA H 50 4.460 4.572 -0.112 1
1 651 . 17 1 1 A 50 50 PRO C C 50 177.900 177.738 0.162 1
1 652 . 17 1 1 A 50 50 PRO CA C 50 63.200 62.722 0.478 1
1 653 . 17 1 1 A 50 50 PRO CB C 50 32.900 32.870 0.030 1
1 656 . 17 1 1 A 51 51 SER H H 51 8.950 8.705 0.245 1
1 657 . 17 1 1 A 51 51 SER HA H 51 3.910 4.151 -0.241 1
1 660 . 17 1 1 A 51 51 SER C C 51 176.300 176.535 -0.235 1
1 661 . 17 1 1 A 51 51 SER CA C 51 62.800 61.618 1.182 1
1 662 . 17 1 1 A 51 51 SER CB C 51 62.700 63.143 -0.443 1
1 663 . 17 1 1 A 51 51 SER N N 51 119.000 118.852 0.148 1
1 664 . 17 1 1 A 52 52 GLU H H 52 9.480 8.241 1.239 1
1 665 . 17 1 1 A 52 52 GLU HA H 52 4.220 4.080 0.140 1
1 670 . 17 1 1 A 52 52 GLU C C 52 177.000 178.290 -1.290 1
1 671 . 17 1 1 A 52 52 GLU CA C 52 59.200 59.263 -0.063 1
1 672 . 17 1 1 A 52 52 GLU CB C 52 28.700 29.413 -0.713 1
1 674 . 17 1 1 A 52 52 GLU N N 52 118.900 122.336 -3.436 1
1 675 . 17 1 1 A 53 53 SER H H 53 7.770 7.676 0.094 1
1 676 . 17 1 1 A 53 53 SER HA H 53 4.940 4.250 0.690 1
1 679 . 17 1 1 A 53 53 SER C C 53 174.200 176.661 -2.461 1
1 680 . 17 1 1 A 53 53 SER CA C 53 58.200 60.873 -2.673 1
1 681 . 17 1 1 A 53 53 SER CB C 53 64.800 63.202 1.598 1
1 682 . 17 1 1 A 53 53 SER N N 53 112.500 114.431 -1.931 1
1 683 . 17 1 1 A 54 54 ARG H H 54 7.380 7.730 -0.350 1
1 684 . 17 1 1 A 54 54 ARG HA H 54 3.630 4.053 -0.423 1
1 696 . 17 1 1 A 54 54 ARG C C 54 177.200 178.993 -1.793 1
1 697 . 17 1 1 A 54 54 ARG CA C 54 61.400 59.786 1.614 1
1 698 . 17 1 1 A 54 54 ARG CB C 54 31.200 30.081 1.119 1
1 701 . 17 1 1 A 54 54 ARG N N 54 122.100 120.749 1.351 1
1 703 . 17 1 1 A 55 55 GLN H H 55 9.010 7.922 1.088 1
1 704 . 17 1 1 A 55 55 GLN HA H 55 3.840 4.077 -0.237 1
1 711 . 17 1 1 A 55 55 GLN C C 55 178.000 177.904 0.096 1
1 712 . 17 1 1 A 55 55 GLN CA C 55 59.700 58.924 0.776 1
1 713 . 17 1 1 A 55 55 GLN CB C 55 28.100 28.823 -0.723 1
1 716 . 17 1 1 A 55 55 GLN N N 55 118.000 119.458 -1.458 1
1 718 . 17 1 1 A 56 56 ALA H H 56 8.280 7.894 0.386 1
1 719 . 17 1 1 A 56 56 ALA HA H 56 4.190 4.082 0.108 1
1 723 . 17 1 1 A 56 56 ALA C C 56 181.200 179.815 1.385 1
1 724 . 17 1 1 A 56 56 ALA CA C 56 55.200 55.112 0.088 1
1 725 . 17 1 1 A 56 56 ALA CB C 56 17.900 18.542 -0.642 1
1 726 . 17 1 1 A 56 56 ALA N N 56 122.300 122.225 0.075 1
1 727 . 17 1 1 A 57 57 VAL H H 57 8.150 8.257 -0.107 1
1 728 . 17 1 1 A 57 57 VAL HA H 57 3.740 3.551 0.189 1
1 736 . 17 1 1 A 57 57 VAL C C 57 178.900 177.828 1.072 1
1 737 . 17 1 1 A 57 57 VAL CA C 57 66.700 66.743 -0.043 1
1 738 . 17 1 1 A 57 57 VAL CB C 57 31.700 31.580 0.120 1
1 741 . 17 1 1 A 57 57 VAL N N 57 119.600 118.212 1.388 1
1 742 . 17 1 1 A 58 58 ALA H H 58 8.370 8.338 0.032 1
1 743 . 17 1 1 A 58 58 ALA HA H 58 3.910 3.964 -0.054 1
1 747 . 17 1 1 A 58 58 ALA C C 58 179.500 180.002 -0.502 1
1 748 . 17 1 1 A 58 58 ALA CA C 58 55.800 55.944 -0.144 1
1 749 . 17 1 1 A 58 58 ALA CB C 58 18.500 18.195 0.305 1
1 750 . 17 1 1 A 58 58 ALA N N 58 123.000 122.392 0.608 1
1 751 . 17 1 1 A 59 59 GLU H H 59 8.630 8.248 0.382 1
1 752 . 17 1 1 A 59 59 GLU HA H 59 4.100 4.034 0.066 1
1 757 . 17 1 1 A 59 59 GLU C C 59 179.400 179.380 0.020 1
1 758 . 17 1 1 A 59 59 GLU CA C 59 59.600 59.686 -0.086 1
1 759 . 17 1 1 A 59 59 GLU CB C 59 29.300 29.762 -0.462 1
1 761 . 17 1 1 A 59 59 GLU N N 59 118.400 117.763 0.637 1
1 762 . 17 1 1 A 60 60 GLN H H 60 8.280 8.241 0.039 1
1 763 . 17 1 1 A 60 60 GLN HA H 60 4.090 4.103 -0.013 1
1 770 . 17 1 1 A 60 60 GLN C C 60 178.700 178.519 0.181 1
1 771 . 17 1 1 A 60 60 GLN CA C 60 59.100 58.912 0.188 1
1 772 . 17 1 1 A 60 60 GLN CB C 60 28.100 28.364 -0.264 1
1 775 . 17 1 1 A 60 60 GLN N N 60 120.400 118.700 1.700 1
1 777 . 17 1 1 A 61 61 PHE H H 61 8.400 8.973 -0.573 1
1 778 . 17 1 1 A 61 61 PHE HA H 61 4.160 4.235 -0.075 1
1 786 . 17 1 1 A 61 61 PHE C C 61 177.600 177.640 -0.040 1
1 787 . 17 1 1 A 61 61 PHE CA C 61 61.400 61.611 -0.211 1
1 788 . 17 1 1 A 61 61 PHE CB C 61 39.100 38.959 0.141 1
1 794 . 17 1 1 A 61 61 PHE N N 61 122.000 122.246 -0.246 1
1 795 . 17 1 1 A 62 62 ALA H H 62 8.620 8.538 0.082 1
1 796 . 17 1 1 A 62 62 ALA HA H 62 3.980 3.978 0.002 1
1 800 . 17 1 1 A 62 62 ALA C C 62 179.700 179.616 0.084 1
1 801 . 17 1 1 A 62 62 ALA CA C 62 55.500 55.398 0.102 1
1 802 . 17 1 1 A 62 62 ALA CB C 62 18.900 18.191 0.709 1
1 803 . 17 1 1 A 62 62 ALA N N 62 122.000 121.605 0.395 1
1 804 . 17 1 1 A 63 63 LYS H H 63 8.470 8.177 0.293 1
1 805 . 17 1 1 A 63 63 LYS HA H 63 4.050 3.980 0.070 1
1 814 . 17 1 1 A 63 63 LYS C C 63 179.200 179.901 -0.701 1
1 815 . 17 1 1 A 63 63 LYS CA C 63 59.600 58.821 0.779 1
1 816 . 17 1 1 A 63 63 LYS CB C 63 32.600 31.751 0.849 1
1 820 . 17 1 1 A 63 63 LYS N N 63 119.500 116.626 2.874 1
1 821 . 17 1 1 A 64 64 ALA H H 64 8.000 8.088 -0.088 1
1 822 . 17 1 1 A 64 64 ALA HA H 64 4.100 4.042 0.058 1
1 826 . 17 1 1 A 64 64 ALA C C 64 180.700 179.935 0.765 1
1 827 . 17 1 1 A 64 64 ALA CA C 64 55.000 54.944 0.056 1
1 828 . 17 1 1 A 64 64 ALA CB C 64 17.700 18.326 -0.626 1
1 829 . 17 1 1 A 64 64 ALA N N 64 122.000 122.115 -0.115 1
1 830 . 17 1 1 A 65 65 LEU H H 65 7.830 8.188 -0.358 1
1 831 . 17 1 1 A 65 65 LEU HA H 65 3.950 3.882 0.068 1
1 841 . 17 1 1 A 65 65 LEU C C 65 178.900 178.218 0.682 1
1 842 . 17 1 1 A 65 65 LEU CA C 65 57.800 57.563 0.237 1
1 843 . 17 1 1 A 65 65 LEU CB C 65 41.700 41.544 0.156 1
1 847 . 17 1 1 A 65 65 LEU N N 65 120.600 120.350 0.250 1
1 848 . 17 1 1 A 66 66 ALA H H 66 7.990 8.466 -0.476 1
1 849 . 17 1 1 A 66 66 ALA HA H 66 3.840 3.934 -0.094 1
1 853 . 17 1 1 A 66 66 ALA C C 66 180.300 180.017 0.283 1
1 854 . 17 1 1 A 66 66 ALA CA C 66 55.500 55.156 0.344 1
1 855 . 17 1 1 A 66 66 ALA CB C 66 17.900 18.135 -0.235 1
1 856 . 17 1 1 A 66 66 ALA N N 66 120.900 121.025 -0.125 1
1 857 . 17 1 1 A 67 67 GLN H H 67 8.140 8.246 -0.106 1
1 858 . 17 1 1 A 67 67 GLN HA H 67 4.070 4.030 0.040 1
1 865 . 17 1 1 A 67 67 GLN C C 67 178.400 178.615 -0.215 1
1 866 . 17 1 1 A 67 67 GLN CA C 67 58.300 58.577 -0.277 1
1 867 . 17 1 1 A 67 67 GLN CB C 67 28.400 28.581 -0.181 1
1 870 . 17 1 1 A 67 67 GLN N N 67 116.600 118.572 -1.972 1
1 872 . 17 1 1 A 68 68 SER H H 68 8.120 8.101 0.019 1
1 873 . 17 1 1 A 68 68 SER HA H 68 4.220 4.154 0.066 1
1 876 . 17 1 1 A 68 68 SER C C 68 176.500 176.540 -0.040 1
1 877 . 17 1 1 A 68 68 SER CA C 68 61.500 62.663 -1.163 1
1 878 . 17 1 1 A 68 68 SER CB C 68 63.000 63.036 -0.036 1
1 879 . 17 1 1 A 68 68 SER N N 68 116.700 116.695 0.005 1
1 880 . 17 1 1 A 69 69 VAL H H 69 7.660 7.785 -0.125 1
1 881 . 17 1 1 A 69 69 VAL HA H 69 3.860 3.500 0.360 1
1 889 . 17 1 1 A 69 69 VAL C C 69 177.400 177.877 -0.477 1
1 890 . 17 1 1 A 69 69 VAL CA C 69 64.900 66.887 -1.987 1
1 891 . 17 1 1 A 69 69 VAL CB C 69 31.900 31.702 0.198 1
1 894 . 17 1 1 A 69 69 VAL N N 69 119.800 121.707 -1.907 1
1 895 . 17 1 1 A 70 70 LYS H H 70 7.860 8.309 -0.449 1
1 896 . 17 1 1 A 70 70 LYS HA H 70 4.040 3.965 0.075 1
1 905 . 17 1 1 A 70 70 LYS C C 70 178.400 179.076 -0.676 1
1 906 . 17 1 1 A 70 70 LYS CA C 70 59.200 59.853 -0.653 1
1 907 . 17 1 1 A 70 70 LYS CB C 70 32.800 32.359 0.441 1
1 911 . 17 1 1 A 70 70 LYS N N 70 121.300 119.878 1.422 1
1 912 . 17 1 1 A 71 71 SER H H 71 8.390 8.469 -0.079 1
1 913 . 17 1 1 A 71 71 SER HA H 71 4.280 4.481 -0.201 1
1 916 . 17 1 1 A 71 71 SER C C 71 176.000 175.211 0.789 1
1 917 . 17 1 1 A 71 71 SER CA C 71 60.700 59.448 1.252 1
1 918 . 17 1 1 A 71 71 SER CB C 71 63.300 63.390 -0.090 1
1 919 . 17 1 1 A 71 71 SER N N 71 114.400 116.459 -2.059 1
1 920 . 17 1 1 A 72 72 ASN H H 72 7.940 7.778 0.162 1
1 921 . 17 1 1 A 72 72 ASN HA H 72 4.630 4.611 0.019 1
1 926 . 17 1 1 A 72 72 ASN C C 72 176.700 176.538 0.162 1
1 927 . 17 1 1 A 72 72 ASN CA C 72 55.000 55.321 -0.321 1
1 928 . 17 1 1 A 72 72 ASN CB C 72 39.000 38.706 0.294 1
1 930 . 17 1 1 A 72 72 ASN N N 72 119.700 118.999 0.701 1
1 932 . 17 1 1 A 73 73 LEU H H 73 7.900 7.340 0.560 1
1 933 . 17 1 1 A 73 73 LEU HA H 73 4.180 4.293 -0.113 1
1 943 . 17 1 1 A 73 73 LEU C C 73 178.400 177.623 0.777 1
1 944 . 17 1 1 A 73 73 LEU CA C 73 56.700 56.525 0.175 1
1 945 . 17 1 1 A 73 73 LEU CB C 73 42.300 42.384 -0.084 1
1 949 . 17 1 1 A 73 73 LEU N N 73 121.000 117.527 3.473 1
1 950 . 17 1 1 A 74 74 GLU H H 74 8.060 8.357 -0.297 1
1 951 . 17 1 1 A 74 74 GLU HA H 74 4.120 3.961 0.159 1
1 956 . 17 1 1 A 74 74 GLU C C 74 177.100 176.129 0.971 1
1 957 . 17 1 1 A 74 74 GLU CA C 74 57.400 59.158 -1.758 1
1 958 . 17 1 1 A 74 74 GLU CB C 74 29.900 28.185 1.715 1
1 960 . 17 1 1 A 74 74 GLU N N 74 119.300 116.253 3.047 1
1 961 . 17 1 1 A 75 75 HIS H H 75 8.140 8.256 -0.116 1
1 962 . 17 1 1 A 75 75 HIS HA H 75 4.590 4.584 0.006 1
1 966 . 17 1 1 A 75 75 HIS C C 75 174.900 174.324 0.576 1
1 967 . 17 1 1 A 75 75 HIS CA C 75 56.100 54.882 1.218 1
1 968 . 17 1 1 A 75 75 HIS CB C 75 29.000 29.430 -0.430 1
1 970 . 17 1 1 A 75 75 HIS N N 75 117.500 120.215 -2.715 1
1 971 . 17 1 1 A 76 76 HIS H H 76 8.240 8.236 0.004 1
1 972 . 17 1 1 A 76 76 HIS C C 76 174.500 175.934 -1.434 1
1 973 . 17 1 1 A 76 76 HIS CA C 76 55.900 54.764 1.136 1
1 974 . 17 1 1 A 76 76 HIS CB C 76 29.300 32.184 -2.884 1
1 975 . 17 1 1 A 76 76 HIS N N 76 118.300 122.913 -4.613 1
1 976 . 17 1 1 A 77 77 HIS H H 77 8.400 9.198 -0.798 1
1 977 . 17 1 1 A 77 77 HIS HA H 77 4.640 4.617 0.023 1
1 980 . 17 1 1 A 77 77 HIS C C 77 173.700 174.652 -0.952 1
1 981 . 17 1 1 A 77 77 HIS CA C 77 55.700 56.017 -0.317 1
1 982 . 17 1 1 A 77 77 HIS CB C 77 29.700 29.451 0.249 1
1 983 . 17 1 1 A 77 77 HIS N N 77 119.300 117.493 1.807 1
1 984 . 17 1 1 A 78 78 HIS H H 78 8.330 7.846 0.484 1
1 985 . 17 1 1 A 78 78 HIS CA C 78 57.200 54.587 2.613 1
1 986 . 17 1 1 A 78 78 HIS CB C 78 29.900 30.856 -0.956 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 4.140 3.907 0.233 1
1 5 . 18 1 1 A 2 2 ALA C C 2 173.800 175.943 -2.143 1
1 6 . 18 1 1 A 2 2 ALA CA C 2 51.800 55.032 -3.232 1
1 7 . 18 1 1 A 2 2 ALA CB C 2 19.600 17.795 1.805 1
1 8 . 18 1 1 A 3 3 ILE H H 3 8.540 8.206 0.334 1
1 9 . 18 1 1 A 3 3 ILE HA H 3 4.190 4.725 -0.535 1
1 19 . 18 1 1 A 3 3 ILE C C 3 176.000 174.624 1.376 1
1 20 . 18 1 1 A 3 3 ILE CA C 3 61.300 58.649 2.651 1
1 21 . 18 1 1 A 3 3 ILE CB C 3 38.800 41.134 -2.334 1
1 25 . 18 1 1 A 3 3 ILE N N 3 120.500 113.662 6.838 1
1 26 . 18 1 1 A 4 4 GLN H H 4 8.570 8.689 -0.119 1
1 27 . 18 1 1 A 4 4 GLN HA H 4 4.400 4.431 -0.031 1
1 34 . 18 1 1 A 4 4 GLN C C 4 175.700 174.959 0.741 1
1 35 . 18 1 1 A 4 4 GLN CA C 4 55.800 55.239 0.561 1
1 36 . 18 1 1 A 4 4 GLN CB C 4 29.600 27.227 2.373 1
1 39 . 18 1 1 A 4 4 GLN N N 4 125.100 126.183 -1.083 1
1 41 . 18 1 1 A 5 5 SER H H 5 8.440 8.261 0.179 1
1 42 . 18 1 1 A 5 5 SER HA H 5 4.420 4.707 -0.287 1
1 45 . 18 1 1 A 5 5 SER C C 5 174.300 174.589 -0.289 1
1 46 . 18 1 1 A 5 5 SER CA C 5 58.200 58.428 -0.228 1
1 47 . 18 1 1 A 5 5 SER CB C 5 64.000 64.835 -0.835 1
1 48 . 18 1 1 A 5 5 SER N N 5 118.100 120.164 -2.064 1
1 49 . 18 1 1 A 6 6 LYS H H 6 8.320 7.740 0.580 1
1 50 . 18 1 1 A 6 6 LYS HA H 6 4.110 4.423 -0.313 1
1 59 . 18 1 1 A 6 6 LYS C C 6 176.000 174.994 1.006 1
1 60 . 18 1 1 A 6 6 LYS CA C 6 57.200 56.746 0.454 1
1 61 . 18 1 1 A 6 6 LYS CB C 6 33.100 34.580 -1.480 1
1 65 . 18 1 1 A 6 6 LYS N N 6 123.600 114.849 8.751 1
1 66 . 18 1 1 A 7 7 TYR H H 7 8.000 7.639 0.361 1
1 67 . 18 1 1 A 7 7 TYR HA H 7 4.800 4.987 -0.187 1
1 74 . 18 1 1 A 7 7 TYR C C 7 175.800 173.170 2.630 1
1 75 . 18 1 1 A 7 7 TYR CA C 7 57.000 56.417 0.583 1
1 76 . 18 1 1 A 7 7 TYR CB C 7 39.900 40.072 -0.172 1
1 81 . 18 1 1 A 7 7 TYR N N 7 118.900 116.792 2.108 1
1 82 . 18 1 1 A 8 8 SER H H 8 8.770 8.788 -0.018 1
1 83 . 18 1 1 A 8 8 SER HA H 8 4.510 5.097 -0.587 1
1 86 . 18 1 1 A 8 8 SER C C 8 175.000 174.192 0.808 1
1 87 . 18 1 1 A 8 8 SER CA C 8 57.500 56.225 1.275 1
1 88 . 18 1 1 A 8 8 SER CB C 8 64.700 65.667 -0.967 1
1 89 . 18 1 1 A 8 8 SER N N 8 118.600 114.918 3.682 1
1 90 . 18 1 1 A 9 9 ASN H H 9 8.910 9.119 -0.209 1
1 91 . 18 1 1 A 9 9 ASN HA H 9 4.540 4.487 0.053 1
1 96 . 18 1 1 A 9 9 ASN C C 9 177.200 177.552 -0.352 1
1 97 . 18 1 1 A 9 9 ASN CA C 9 55.900 56.947 -1.047 1
1 98 . 18 1 1 A 9 9 ASN CB C 9 38.200 37.982 0.218 1
1 100 . 18 1 1 A 9 9 ASN N N 9 121.400 123.696 -2.296 1
1 102 . 18 1 1 A 10 10 THR H H 10 8.180 8.140 0.040 1
1 103 . 18 1 1 A 10 10 THR HA H 10 4.070 3.949 0.121 1
1 108 . 18 1 1 A 10 10 THR C C 10 176.600 176.797 -0.197 1
1 109 . 18 1 1 A 10 10 THR CA C 10 65.300 65.171 0.129 1
1 110 . 18 1 1 A 10 10 THR CB C 10 68.800 68.791 0.009 1
1 112 . 18 1 1 A 10 10 THR N N 10 113.500 116.113 -2.613 1
1 113 . 18 1 1 A 11 11 GLN H H 11 7.950 7.797 0.153 1
1 114 . 18 1 1 A 11 11 GLN HA H 11 4.160 4.198 -0.038 1
1 121 . 18 1 1 A 11 11 GLN C C 11 178.400 178.859 -0.459 1
1 122 . 18 1 1 A 11 11 GLN CA C 11 59.000 58.678 0.322 1
1 123 . 18 1 1 A 11 11 GLN CB C 11 29.200 28.501 0.699 1
1 126 . 18 1 1 A 11 11 GLN N N 11 122.500 121.018 1.482 1
1 128 . 18 1 1 A 12 12 VAL H H 12 7.850 7.807 0.043 1
1 129 . 18 1 1 A 12 12 VAL HA H 12 3.540 3.483 0.057 1
1 137 . 18 1 1 A 12 12 VAL C C 12 177.400 177.703 -0.303 1
1 138 . 18 1 1 A 12 12 VAL CA C 12 66.400 66.380 0.020 1
1 139 . 18 1 1 A 12 12 VAL CB C 12 32.300 31.671 0.629 1
1 142 . 18 1 1 A 12 12 VAL N N 12 119.000 120.519 -1.519 1
1 143 . 18 1 1 A 13 13 GLU H H 13 8.550 8.960 -0.410 1
1 144 . 18 1 1 A 13 13 GLU HA H 13 3.910 3.967 -0.057 1
1 149 . 18 1 1 A 13 13 GLU C C 13 179.500 178.807 0.693 1
1 150 . 18 1 1 A 13 13 GLU CA C 13 59.700 59.643 0.057 1
1 151 . 18 1 1 A 13 13 GLU CB C 13 29.100 29.384 -0.284 1
1 153 . 18 1 1 A 13 13 GLU N N 13 118.300 120.723 -2.423 1
1 154 . 18 1 1 A 14 14 SER H H 14 8.080 8.244 -0.164 1
1 155 . 18 1 1 A 14 14 SER HA H 14 4.260 4.161 0.099 1
1 158 . 18 1 1 A 14 14 SER C C 14 176.200 177.596 -1.396 1
1 159 . 18 1 1 A 14 14 SER CA C 14 61.700 61.503 0.197 1
1 160 . 18 1 1 A 14 14 SER CB C 14 62.800 62.616 0.184 1
1 161 . 18 1 1 A 14 14 SER N N 14 114.600 115.730 -1.130 1
1 162 . 18 1 1 A 15 15 LEU H H 15 7.110 7.884 -0.774 1
1 163 . 18 1 1 A 15 15 LEU HA H 15 3.690 4.100 -0.410 1
1 173 . 18 1 1 A 15 15 LEU C C 15 177.800 179.355 -1.555 1
1 174 . 18 1 1 A 15 15 LEU CA C 15 57.700 57.990 -0.290 1
1 175 . 18 1 1 A 15 15 LEU CB C 15 42.300 41.658 0.642 1
1 179 . 18 1 1 A 15 15 LEU N N 15 122.200 123.782 -1.582 1
1 180 . 18 1 1 A 16 16 ILE H H 16 8.030 8.705 -0.675 1
1 181 . 18 1 1 A 16 16 ILE HA H 16 3.220 3.733 -0.513 1
1 191 . 18 1 1 A 16 16 ILE C C 16 177.200 178.127 -0.927 1
1 192 . 18 1 1 A 16 16 ILE CA C 16 66.000 65.619 0.381 1
1 193 . 18 1 1 A 16 16 ILE CB C 16 39.100 37.544 1.556 1
1 197 . 18 1 1 A 16 16 ILE N N 16 117.900 119.226 -1.326 1
1 198 . 18 1 1 A 17 17 ALA H H 17 7.960 8.655 -0.695 1
1 199 . 18 1 1 A 17 17 ALA HA H 17 3.930 4.020 -0.090 1
1 203 . 18 1 1 A 17 17 ALA C C 17 180.600 180.202 0.398 1
1 204 . 18 1 1 A 17 17 ALA CA C 17 55.400 55.853 -0.453 1
1 205 . 18 1 1 A 17 17 ALA CB C 17 18.000 18.159 -0.159 1
1 206 . 18 1 1 A 17 17 ALA N N 17 118.300 122.345 -4.045 1
1 207 . 18 1 1 A 18 18 GLU H H 18 7.630 7.744 -0.114 1
1 208 . 18 1 1 A 18 18 GLU HA H 18 4.030 4.027 0.003 1
1 213 . 18 1 1 A 18 18 GLU C C 18 179.400 179.421 -0.021 1
1 214 . 18 1 1 A 18 18 GLU CA C 18 59.800 59.486 0.314 1
1 215 . 18 1 1 A 18 18 GLU CB C 18 30.300 29.442 0.858 1
1 217 . 18 1 1 A 18 18 GLU N N 18 116.300 117.819 -1.519 1
1 218 . 18 1 1 A 19 19 ILE H H 19 8.110 7.917 0.193 1
1 219 . 18 1 1 A 19 19 ILE HA H 19 3.590 3.667 -0.077 1
1 229 . 18 1 1 A 19 19 ILE C C 19 177.800 178.565 -0.765 1
1 230 . 18 1 1 A 19 19 ILE CA C 19 66.500 65.744 0.756 1
1 231 . 18 1 1 A 19 19 ILE CB C 19 37.500 37.653 -0.153 1
1 235 . 18 1 1 A 19 19 ILE N N 19 121.100 120.558 0.542 1
1 236 . 18 1 1 A 20 20 LEU H H 20 8.480 8.517 -0.037 1
1 237 . 18 1 1 A 20 20 LEU HA H 20 4.020 4.109 -0.089 1
1 247 . 18 1 1 A 20 20 LEU C C 20 180.500 179.255 1.245 1
1 248 . 18 1 1 A 20 20 LEU CA C 20 58.600 57.881 0.719 1
1 249 . 18 1 1 A 20 20 LEU CB C 20 40.400 41.333 -0.933 1
1 253 . 18 1 1 A 20 20 LEU N N 20 118.300 118.680 -0.380 1
1 254 . 18 1 1 A 21 21 VAL H H 21 7.810 8.357 -0.547 1
1 255 . 18 1 1 A 21 21 VAL HA H 21 3.770 3.620 0.150 1
1 263 . 18 1 1 A 21 21 VAL C C 21 178.200 178.384 -0.184 1
1 264 . 18 1 1 A 21 21 VAL CA C 21 66.800 66.918 -0.118 1
1 265 . 18 1 1 A 21 21 VAL CB C 21 31.600 31.492 0.108 1
1 268 . 18 1 1 A 21 21 VAL N N 21 119.700 119.507 0.193 1
1 269 . 18 1 1 A 22 22 VAL H H 22 7.530 7.912 -0.382 1
1 270 . 18 1 1 A 22 22 VAL HA H 22 3.610 3.480 0.130 1
1 278 . 18 1 1 A 22 22 VAL C C 22 178.500 177.964 0.536 1
1 279 . 18 1 1 A 22 22 VAL CA C 22 67.300 67.081 0.219 1
1 280 . 18 1 1 A 22 22 VAL CB C 22 31.500 31.535 -0.035 1
1 283 . 18 1 1 A 22 22 VAL N N 22 121.400 119.984 1.416 1
1 284 . 18 1 1 A 23 23 LEU H H 23 7.610 7.941 -0.331 1
1 285 . 18 1 1 A 23 23 LEU HA H 23 3.880 4.014 -0.134 1
1 295 . 18 1 1 A 23 23 LEU C C 23 179.700 179.681 0.019 1
1 296 . 18 1 1 A 23 23 LEU CA C 23 58.400 57.990 0.410 1
1 297 . 18 1 1 A 23 23 LEU CB C 23 40.900 41.141 -0.241 1
1 301 . 18 1 1 A 23 23 LEU N N 23 116.800 118.670 -1.870 1
1 302 . 18 1 1 A 24 24 GLU H H 24 8.160 8.394 -0.234 1
1 303 . 18 1 1 A 24 24 GLU HA H 24 4.170 3.994 0.176 1
1 308 . 18 1 1 A 24 24 GLU C C 24 180.900 179.517 1.383 1
1 309 . 18 1 1 A 24 24 GLU CA C 24 59.000 59.666 -0.666 1
1 310 . 18 1 1 A 24 24 GLU CB C 24 29.700 29.538 0.162 1
1 312 . 18 1 1 A 24 24 GLU N N 24 119.200 119.899 -0.699 1
1 313 . 18 1 1 A 25 25 LYS H H 25 8.980 8.336 0.644 1
1 314 . 18 1 1 A 25 25 LYS HA H 25 4.050 4.037 0.013 1
1 323 . 18 1 1 A 25 25 LYS C C 25 178.600 178.363 0.237 1
1 324 . 18 1 1 A 25 25 LYS CA C 25 59.300 58.939 0.361 1
1 325 . 18 1 1 A 25 25 LYS CB C 25 32.100 32.283 -0.183 1
1 329 . 18 1 1 A 25 25 LYS N N 25 122.900 119.528 3.372 1
1 330 . 18 1 1 A 26 26 HIS H H 26 7.400 7.439 -0.039 1
1 331 . 18 1 1 A 26 26 HIS HA H 26 4.460 4.615 -0.155 1
1 336 . 18 1 1 A 26 26 HIS C C 26 173.600 174.650 -1.050 1
1 337 . 18 1 1 A 26 26 HIS CA C 26 56.500 56.120 0.380 1
1 338 . 18 1 1 A 26 26 HIS CB C 26 29.200 29.952 -0.752 1
1 341 . 18 1 1 A 26 26 HIS N N 26 113.800 115.582 -1.782 1
1 342 . 18 1 1 A 27 27 LYS H H 27 8.200 7.978 0.222 1
1 343 . 18 1 1 A 27 27 LYS HA H 27 3.950 4.071 -0.121 1
1 352 . 18 1 1 A 27 27 LYS C C 27 176.500 175.713 0.787 1
1 353 . 18 1 1 A 27 27 LYS CA C 27 56.600 57.065 -0.465 1
1 354 . 18 1 1 A 27 27 LYS CB C 27 29.600 30.085 -0.485 1
1 358 . 18 1 1 A 27 27 LYS N N 27 119.500 117.961 1.539 1
1 359 . 18 1 1 A 28 28 ALA H H 28 7.760 7.576 0.184 1
1 360 . 18 1 1 A 28 28 ALA HA H 28 4.490 4.476 0.014 1
1 364 . 18 1 1 A 28 28 ALA CA C 28 51.000 50.590 0.410 1
1 365 . 18 1 1 A 28 28 ALA CB C 28 19.200 18.790 0.410 1
1 366 . 18 1 1 A 28 28 ALA N N 28 121.500 123.542 -2.042 1
1 367 . 18 1 1 A 29 29 PRO HA H 29 4.720 4.526 0.194 1
1 374 . 18 1 1 A 29 29 PRO C C 29 177.400 177.485 -0.085 1
1 375 . 18 1 1 A 29 29 PRO CA C 29 62.100 62.742 -0.642 1
1 376 . 18 1 1 A 29 29 PRO CB C 29 33.000 32.737 0.263 1
1 379 . 18 1 1 A 30 30 THR H H 30 8.830 8.407 0.423 1
1 380 . 18 1 1 A 30 30 THR HA H 30 3.680 3.936 -0.256 1
1 385 . 18 1 1 A 30 30 THR C C 30 175.200 175.742 -0.542 1
1 386 . 18 1 1 A 30 30 THR CA C 30 67.400 65.666 1.734 1
1 387 . 18 1 1 A 30 30 THR CB C 30 68.500 68.781 -0.281 1
1 389 . 18 1 1 A 30 30 THR N N 30 120.400 117.550 2.850 1
1 390 . 18 1 1 A 31 31 ASP H H 31 8.880 8.192 0.688 1
1 391 . 18 1 1 A 31 31 ASP HA H 31 4.220 4.365 -0.145 1
1 394 . 18 1 1 A 31 31 ASP C C 31 179.000 178.705 0.295 1
1 395 . 18 1 1 A 31 31 ASP CA C 31 57.400 57.130 0.270 1
1 396 . 18 1 1 A 31 31 ASP CB C 31 38.700 40.676 -1.976 1
1 397 . 18 1 1 A 31 31 ASP N N 31 118.600 120.629 -2.029 1
1 398 . 18 1 1 A 32 32 LEU H H 32 7.540 7.971 -0.431 1
1 399 . 18 1 1 A 32 32 LEU HA H 32 3.970 4.022 -0.052 1
1 409 . 18 1 1 A 32 32 LEU C C 32 178.100 178.882 -0.782 1
1 410 . 18 1 1 A 32 32 LEU CA C 32 57.500 57.529 -0.029 1
1 411 . 18 1 1 A 32 32 LEU CB C 32 40.600 41.586 -0.986 1
1 415 . 18 1 1 A 32 32 LEU N N 32 124.300 121.967 2.333 1
1 416 . 18 1 1 A 33 33 SER H H 33 8.420 8.261 0.159 1
1 417 . 18 1 1 A 33 33 SER HA H 33 3.860 4.052 -0.192 1
1 420 . 18 1 1 A 33 33 SER C C 33 175.900 176.317 -0.417 1
1 421 . 18 1 1 A 33 33 SER CA C 33 63.100 62.400 0.700 1
1 422 . 18 1 1 A 33 33 SER CB C 33 62.900 63.294 -0.394 1
1 423 . 18 1 1 A 33 33 SER N N 33 116.000 116.705 -0.705 1
1 424 . 18 1 1 A 34 34 LEU H H 34 8.400 8.231 0.169 1
1 425 . 18 1 1 A 34 34 LEU HA H 34 4.010 4.034 -0.024 1
1 435 . 18 1 1 A 34 34 LEU C C 34 179.500 179.339 0.161 1
1 436 . 18 1 1 A 34 34 LEU CA C 34 58.700 57.868 0.832 1
1 437 . 18 1 1 A 34 34 LEU CB C 34 41.500 41.184 0.316 1
1 441 . 18 1 1 A 34 34 LEU N N 34 120.400 121.030 -0.630 1
1 442 . 18 1 1 A 35 35 MET H H 35 7.970 8.279 -0.309 1
1 443 . 18 1 1 A 35 35 MET HA H 35 4.210 4.174 0.036 1
1 451 . 18 1 1 A 35 35 MET C C 35 178.900 178.191 0.709 1
1 452 . 18 1 1 A 35 35 MET CA C 35 59.100 58.934 0.166 1
1 453 . 18 1 1 A 35 35 MET CB C 35 33.100 32.319 0.781 1
1 456 . 18 1 1 A 35 35 MET N N 35 120.300 117.365 2.935 1
1 457 . 18 1 1 A 36 36 ALA H H 36 8.710 7.994 0.716 1
1 458 . 18 1 1 A 36 36 ALA HA H 36 3.900 4.060 -0.160 1
1 462 . 18 1 1 A 36 36 ALA C C 36 179.700 179.808 -0.108 1
1 463 . 18 1 1 A 36 36 ALA CA C 36 55.400 55.163 0.237 1
1 464 . 18 1 1 A 36 36 ALA CB C 36 18.600 18.505 0.095 1
1 465 . 18 1 1 A 36 36 ALA N N 36 121.700 121.192 0.508 1
1 466 . 18 1 1 A 37 37 LEU H H 37 8.750 8.479 0.271 1
1 467 . 18 1 1 A 37 37 LEU HA H 37 3.980 3.983 -0.003 1
1 477 . 18 1 1 A 37 37 LEU C C 37 179.600 179.153 0.447 1
1 478 . 18 1 1 A 37 37 LEU CA C 37 59.000 57.935 1.065 1
1 479 . 18 1 1 A 37 37 LEU CB C 37 42.000 41.712 0.288 1
1 483 . 18 1 1 A 37 37 LEU N N 37 118.100 118.046 0.054 1
1 484 . 18 1 1 A 38 38 GLY H H 38 8.780 8.286 0.494 1
1 485 . 18 1 1 A 38 38 GLY HA2 H 38 3.650 3.810 -0.160 1
1 486 . 18 1 1 A 38 38 GLY HA3 H 38 3.940 3.829 0.111 1
1 487 . 18 1 1 A 38 38 GLY C C 38 175.600 176.215 -0.615 1
1 488 . 18 1 1 A 38 38 GLY CA C 38 48.300 47.400 0.900 1
1 489 . 18 1 1 A 38 38 GLY N N 38 105.600 106.350 -0.750 1
1 490 . 18 1 1 A 39 39 ASN H H 39 8.180 7.533 0.647 1
1 491 . 18 1 1 A 39 39 ASN HA H 39 4.550 4.536 0.014 1
1 496 . 18 1 1 A 39 39 ASN C C 39 178.400 178.183 0.217 1
1 497 . 18 1 1 A 39 39 ASN CA C 39 56.000 55.246 0.754 1
1 498 . 18 1 1 A 39 39 ASN CB C 39 39.200 38.139 1.061 1
1 500 . 18 1 1 A 39 39 ASN N N 39 120.000 119.757 0.243 1
1 502 . 18 1 1 A 40 40 CYS H H 40 8.420 8.016 0.404 1
1 503 . 18 1 1 A 40 40 CYS HA H 40 4.010 4.117 -0.107 1
1 506 . 18 1 1 A 40 40 CYS C C 40 176.000 177.007 -1.007 1
1 507 . 18 1 1 A 40 40 CYS CA C 40 65.300 63.742 1.558 1
1 508 . 18 1 1 A 40 40 CYS CB C 40 27.200 26.977 0.223 1
1 509 . 18 1 1 A 40 40 CYS N N 40 120.200 118.873 1.327 1
1 510 . 18 1 1 A 41 41 VAL H H 41 7.830 7.853 -0.023 1
1 511 . 18 1 1 A 41 41 VAL HA H 41 3.250 3.424 -0.174 1
1 519 . 18 1 1 A 41 41 VAL C C 41 177.500 178.625 -1.125 1
1 520 . 18 1 1 A 41 41 VAL CA C 41 67.500 66.909 0.591 1
1 521 . 18 1 1 A 41 41 VAL CB C 41 30.800 31.623 -0.823 1
1 524 . 18 1 1 A 41 41 VAL N N 41 119.400 120.724 -1.324 1
1 525 . 18 1 1 A 42 42 THR H H 42 8.270 7.826 0.444 1
1 526 . 18 1 1 A 42 42 THR HA H 42 3.520 3.912 -0.392 1
1 531 . 18 1 1 A 42 42 THR C C 42 176.200 176.280 -0.080 1
1 532 . 18 1 1 A 42 42 THR CA C 42 67.800 67.041 0.759 1
1 533 . 18 1 1 A 42 42 THR CB C 42 67.800 68.491 -0.691 1
1 535 . 18 1 1 A 42 42 THR N N 42 113.600 116.550 -2.950 1
1 536 . 18 1 1 A 43 43 HIS H H 43 8.250 7.817 0.433 1
1 537 . 18 1 1 A 43 43 HIS HA H 43 4.310 4.291 0.019 1
1 542 . 18 1 1 A 43 43 HIS C C 43 177.200 177.258 -0.058 1
1 543 . 18 1 1 A 43 43 HIS CA C 43 59.300 59.772 -0.472 1
1 544 . 18 1 1 A 43 43 HIS CB C 43 28.900 29.689 -0.789 1
1 547 . 18 1 1 A 43 43 HIS N N 43 120.000 122.888 -2.888 1
1 550 . 18 1 1 A 44 44 LEU H H 44 8.070 8.372 -0.302 1
1 551 . 18 1 1 A 44 44 LEU HA H 44 3.960 3.773 0.187 1
1 561 . 18 1 1 A 44 44 LEU C C 44 179.300 179.009 0.291 1
1 562 . 18 1 1 A 44 44 LEU CA C 44 58.400 58.102 0.298 1
1 563 . 18 1 1 A 44 44 LEU CB C 44 42.200 41.532 0.668 1
1 567 . 18 1 1 A 44 44 LEU N N 44 119.400 119.989 -0.589 1
1 568 . 18 1 1 A 45 45 LEU H H 45 8.410 8.250 0.160 1
1 569 . 18 1 1 A 45 45 LEU HA H 45 3.850 3.760 0.090 1
1 579 . 18 1 1 A 45 45 LEU C C 45 178.700 178.881 -0.181 1
1 580 . 18 1 1 A 45 45 LEU CA C 45 58.200 58.149 0.051 1
1 581 . 18 1 1 A 45 45 LEU CB C 45 41.800 41.558 0.242 1
1 585 . 18 1 1 A 45 45 LEU N N 45 118.100 118.453 -0.353 1
1 586 . 18 1 1 A 46 46 GLU H H 46 8.120 8.490 -0.370 1
1 587 . 18 1 1 A 46 46 GLU HA H 46 3.740 3.917 -0.177 1
1 592 . 18 1 1 A 46 46 GLU C C 46 178.000 177.990 0.010 1
1 593 . 18 1 1 A 46 46 GLU CA C 46 58.900 59.840 -0.940 1
1 594 . 18 1 1 A 46 46 GLU CB C 46 29.700 29.615 0.085 1
1 596 . 18 1 1 A 46 46 GLU N N 46 115.000 119.457 -4.457 1
1 597 . 18 1 1 A 47 47 ARG H H 47 7.740 8.024 -0.284 1
1 598 . 18 1 1 A 47 47 ARG HA H 47 4.270 4.434 -0.164 1
1 606 . 18 1 1 A 47 47 ARG C C 47 178.500 176.739 1.761 1
1 607 . 18 1 1 A 47 47 ARG CA C 47 57.000 55.431 1.569 1
1 608 . 18 1 1 A 47 47 ARG CB C 47 31.600 30.566 1.034 1
1 611 . 18 1 1 A 47 47 ARG N N 47 114.000 118.002 -4.002 1
1 613 . 18 1 1 A 48 48 LYS H H 48 8.210 7.461 0.749 1
1 614 . 18 1 1 A 48 48 LYS HA H 48 4.620 4.375 0.245 1
1 623 . 18 1 1 A 48 48 LYS C C 48 176.400 175.919 0.481 1
1 624 . 18 1 1 A 48 48 LYS CA C 48 55.500 56.201 -0.701 1
1 625 . 18 1 1 A 48 48 LYS CB C 48 34.500 34.823 -0.323 1
1 629 . 18 1 1 A 48 48 LYS N N 48 114.000 116.454 -2.454 1
1 630 . 18 1 1 A 49 49 VAL H H 49 7.630 7.364 0.266 1
1 631 . 18 1 1 A 49 49 VAL HA H 49 4.710 4.393 0.317 1
1 639 . 18 1 1 A 49 49 VAL CA C 49 59.400 58.367 1.033 1
1 640 . 18 1 1 A 49 49 VAL CB C 49 33.600 34.249 -0.649 1
1 643 . 18 1 1 A 49 49 VAL N N 49 121.800 118.113 3.687 1
1 644 . 18 1 1 A 50 50 PRO HA H 50 4.460 4.523 -0.063 1
1 651 . 18 1 1 A 50 50 PRO C C 50 177.900 177.798 0.102 1
1 652 . 18 1 1 A 50 50 PRO CA C 50 63.200 62.719 0.481 1
1 653 . 18 1 1 A 50 50 PRO CB C 50 32.900 32.633 0.267 1
1 656 . 18 1 1 A 51 51 SER H H 51 8.950 8.989 -0.039 1
1 657 . 18 1 1 A 51 51 SER HA H 51 3.910 4.195 -0.285 1
1 660 . 18 1 1 A 51 51 SER C C 51 176.300 176.860 -0.560 1
1 661 . 18 1 1 A 51 51 SER CA C 51 62.800 61.549 1.251 1
1 662 . 18 1 1 A 51 51 SER CB C 51 62.700 63.212 -0.512 1
1 663 . 18 1 1 A 51 51 SER N N 51 119.000 119.403 -0.403 1
1 664 . 18 1 1 A 52 52 GLU H H 52 9.480 8.018 1.462 1
1 665 . 18 1 1 A 52 52 GLU HA H 52 4.220 4.338 -0.118 1
1 670 . 18 1 1 A 52 52 GLU C C 52 177.000 178.585 -1.585 1
1 671 . 18 1 1 A 52 52 GLU CA C 52 59.200 59.020 0.180 1
1 672 . 18 1 1 A 52 52 GLU CB C 52 28.700 29.134 -0.434 1
1 674 . 18 1 1 A 52 52 GLU N N 52 118.900 121.405 -2.505 1
1 675 . 18 1 1 A 53 53 SER H H 53 7.770 7.879 -0.109 1
1 676 . 18 1 1 A 53 53 SER HA H 53 4.940 4.340 0.600 1
1 679 . 18 1 1 A 53 53 SER C C 53 174.200 176.747 -2.547 1
1 680 . 18 1 1 A 53 53 SER CA C 53 58.200 61.134 -2.934 1
1 681 . 18 1 1 A 53 53 SER CB C 53 64.800 63.367 1.433 1
1 682 . 18 1 1 A 53 53 SER N N 53 112.500 117.645 -5.145 1
1 683 . 18 1 1 A 54 54 ARG H H 54 7.380 8.200 -0.820 1
1 684 . 18 1 1 A 54 54 ARG HA H 54 3.630 4.067 -0.437 1
1 696 . 18 1 1 A 54 54 ARG C C 54 177.200 178.931 -1.731 1
1 697 . 18 1 1 A 54 54 ARG CA C 54 61.400 59.664 1.736 1
1 698 . 18 1 1 A 54 54 ARG CB C 54 31.200 30.031 1.169 1
1 701 . 18 1 1 A 54 54 ARG N N 54 122.100 122.023 0.077 1
1 703 . 18 1 1 A 55 55 GLN H H 55 9.010 7.707 1.303 1
1 704 . 18 1 1 A 55 55 GLN HA H 55 3.840 4.099 -0.259 1
1 711 . 18 1 1 A 55 55 GLN C C 55 178.000 178.763 -0.763 1
1 712 . 18 1 1 A 55 55 GLN CA C 55 59.700 58.788 0.912 1
1 713 . 18 1 1 A 55 55 GLN CB C 55 28.100 28.332 -0.232 1
1 716 . 18 1 1 A 55 55 GLN N N 55 118.000 118.716 -0.716 1
1 718 . 18 1 1 A 56 56 ALA H H 56 8.280 7.409 0.871 1
1 719 . 18 1 1 A 56 56 ALA HA H 56 4.190 4.115 0.075 1
1 723 . 18 1 1 A 56 56 ALA C C 56 181.200 179.930 1.270 1
1 724 . 18 1 1 A 56 56 ALA CA C 56 55.200 55.115 0.085 1
1 725 . 18 1 1 A 56 56 ALA CB C 56 17.900 18.431 -0.531 1
1 726 . 18 1 1 A 56 56 ALA N N 56 122.300 122.438 -0.138 1
1 727 . 18 1 1 A 57 57 VAL H H 57 8.150 8.522 -0.372 1
1 728 . 18 1 1 A 57 57 VAL HA H 57 3.740 3.524 0.216 1
1 736 . 18 1 1 A 57 57 VAL C C 57 178.900 178.078 0.822 1
1 737 . 18 1 1 A 57 57 VAL CA C 57 66.700 66.458 0.242 1
1 738 . 18 1 1 A 57 57 VAL CB C 57 31.700 31.519 0.181 1
1 741 . 18 1 1 A 57 57 VAL N N 57 119.600 118.607 0.993 1
1 742 . 18 1 1 A 58 58 ALA H H 58 8.370 8.356 0.014 1
1 743 . 18 1 1 A 58 58 ALA HA H 58 3.910 4.041 -0.131 1
1 747 . 18 1 1 A 58 58 ALA C C 58 179.500 178.983 0.517 1
1 748 . 18 1 1 A 58 58 ALA CA C 58 55.800 56.040 -0.240 1
1 749 . 18 1 1 A 58 58 ALA CB C 58 18.500 18.593 -0.093 1
1 750 . 18 1 1 A 58 58 ALA N N 58 123.000 121.975 1.025 1
1 751 . 18 1 1 A 59 59 GLU H H 59 8.630 8.356 0.274 1
1 752 . 18 1 1 A 59 59 GLU HA H 59 4.100 4.011 0.089 1
1 757 . 18 1 1 A 59 59 GLU C C 59 179.400 179.377 0.023 1
1 758 . 18 1 1 A 59 59 GLU CA C 59 59.600 59.941 -0.341 1
1 759 . 18 1 1 A 59 59 GLU CB C 59 29.300 29.235 0.065 1
1 761 . 18 1 1 A 59 59 GLU N N 59 118.400 118.196 0.204 1
1 762 . 18 1 1 A 60 60 GLN H H 60 8.280 7.963 0.317 1
1 763 . 18 1 1 A 60 60 GLN HA H 60 4.090 4.092 -0.002 1
1 770 . 18 1 1 A 60 60 GLN C C 60 178.700 178.466 0.234 1
1 771 . 18 1 1 A 60 60 GLN CA C 60 59.100 58.480 0.620 1
1 772 . 18 1 1 A 60 60 GLN CB C 60 28.100 28.463 -0.363 1
1 775 . 18 1 1 A 60 60 GLN N N 60 120.400 118.328 2.072 1
1 777 . 18 1 1 A 61 61 PHE H H 61 8.400 8.913 -0.513 1
1 778 . 18 1 1 A 61 61 PHE HA H 61 4.160 4.352 -0.192 1
1 786 . 18 1 1 A 61 61 PHE C C 61 177.600 177.601 -0.001 1
1 787 . 18 1 1 A 61 61 PHE CA C 61 61.400 61.773 -0.373 1
1 788 . 18 1 1 A 61 61 PHE CB C 61 39.100 39.381 -0.281 1
1 794 . 18 1 1 A 61 61 PHE N N 61 122.000 120.941 1.059 1
1 795 . 18 1 1 A 62 62 ALA H H 62 8.620 8.707 -0.087 1
1 796 . 18 1 1 A 62 62 ALA HA H 62 3.980 3.980 0.000 1
1 800 . 18 1 1 A 62 62 ALA C C 62 179.700 179.408 0.292 1
1 801 . 18 1 1 A 62 62 ALA CA C 62 55.500 55.447 0.053 1
1 802 . 18 1 1 A 62 62 ALA CB C 62 18.900 18.380 0.520 1
1 803 . 18 1 1 A 62 62 ALA N N 62 122.000 121.586 0.414 1
1 804 . 18 1 1 A 63 63 LYS H H 63 8.470 7.508 0.962 1
1 805 . 18 1 1 A 63 63 LYS HA H 63 4.050 4.083 -0.033 1
1 814 . 18 1 1 A 63 63 LYS C C 63 179.200 179.279 -0.079 1
1 815 . 18 1 1 A 63 63 LYS CA C 63 59.600 58.762 0.838 1
1 816 . 18 1 1 A 63 63 LYS CB C 63 32.600 31.801 0.799 1
1 820 . 18 1 1 A 63 63 LYS N N 63 119.500 117.490 2.010 1
1 821 . 18 1 1 A 64 64 ALA H H 64 8.000 8.422 -0.422 1
1 822 . 18 1 1 A 64 64 ALA HA H 64 4.100 4.017 0.083 1
1 826 . 18 1 1 A 64 64 ALA C C 64 180.700 180.012 0.688 1
1 827 . 18 1 1 A 64 64 ALA CA C 64 55.000 54.782 0.218 1
1 828 . 18 1 1 A 64 64 ALA CB C 64 17.700 18.421 -0.721 1
1 829 . 18 1 1 A 64 64 ALA N N 64 122.000 122.605 -0.605 1
1 830 . 18 1 1 A 65 65 LEU H H 65 7.830 8.222 -0.392 1
1 831 . 18 1 1 A 65 65 LEU HA H 65 3.950 3.893 0.057 1
1 841 . 18 1 1 A 65 65 LEU C C 65 178.900 178.236 0.664 1
1 842 . 18 1 1 A 65 65 LEU CA C 65 57.800 57.487 0.313 1
1 843 . 18 1 1 A 65 65 LEU CB C 65 41.700 41.363 0.337 1
1 847 . 18 1 1 A 65 65 LEU N N 65 120.600 120.570 0.030 1
1 848 . 18 1 1 A 66 66 ALA H H 66 7.990 8.203 -0.213 1
1 849 . 18 1 1 A 66 66 ALA HA H 66 3.840 3.909 -0.069 1
1 853 . 18 1 1 A 66 66 ALA C C 66 180.300 179.120 1.180 1
1 854 . 18 1 1 A 66 66 ALA CA C 66 55.500 55.020 0.480 1
1 855 . 18 1 1 A 66 66 ALA CB C 66 17.900 18.276 -0.376 1
1 856 . 18 1 1 A 66 66 ALA N N 66 120.900 121.458 -0.558 1
1 857 . 18 1 1 A 67 67 GLN H H 67 8.140 8.348 -0.208 1
1 858 . 18 1 1 A 67 67 GLN HA H 67 4.070 4.025 0.045 1
1 865 . 18 1 1 A 67 67 GLN C C 67 178.400 178.311 0.089 1
1 866 . 18 1 1 A 67 67 GLN CA C 67 58.300 58.058 0.242 1
1 867 . 18 1 1 A 67 67 GLN CB C 67 28.400 28.800 -0.400 1
1 870 . 18 1 1 A 67 67 GLN N N 67 116.600 118.484 -1.884 1
1 872 . 18 1 1 A 68 68 SER H H 68 8.120 8.351 -0.231 1
1 873 . 18 1 1 A 68 68 SER HA H 68 4.220 4.136 0.084 1
1 876 . 18 1 1 A 68 68 SER C C 68 176.500 176.356 0.144 1
1 877 . 18 1 1 A 68 68 SER CA C 68 61.500 62.685 -1.185 1
1 878 . 18 1 1 A 68 68 SER CB C 68 63.000 62.960 0.040 1
1 879 . 18 1 1 A 68 68 SER N N 68 116.700 117.038 -0.338 1
1 880 . 18 1 1 A 69 69 VAL H H 69 7.660 8.273 -0.613 1
1 881 . 18 1 1 A 69 69 VAL HA H 69 3.860 3.572 0.288 1
1 889 . 18 1 1 A 69 69 VAL C C 69 177.400 178.268 -0.868 1
1 890 . 18 1 1 A 69 69 VAL CA C 69 64.900 67.207 -2.307 1
1 891 . 18 1 1 A 69 69 VAL CB C 69 31.900 31.446 0.454 1
1 894 . 18 1 1 A 69 69 VAL N N 69 119.800 121.613 -1.813 1
1 895 . 18 1 1 A 70 70 LYS H H 70 7.860 7.963 -0.103 1
1 896 . 18 1 1 A 70 70 LYS HA H 70 4.040 4.019 0.021 1
1 905 . 18 1 1 A 70 70 LYS C C 70 178.400 178.100 0.300 1
1 906 . 18 1 1 A 70 70 LYS CA C 70 59.200 58.677 0.523 1
1 907 . 18 1 1 A 70 70 LYS CB C 70 32.800 32.171 0.629 1
1 911 . 18 1 1 A 70 70 LYS N N 70 121.300 120.788 0.512 1
1 912 . 18 1 1 A 71 71 SER H H 71 8.390 8.334 0.056 1
1 913 . 18 1 1 A 71 71 SER HA H 71 4.280 4.436 -0.156 1
1 916 . 18 1 1 A 71 71 SER C C 71 176.000 175.956 0.044 1
1 917 . 18 1 1 A 71 71 SER CA C 71 60.700 59.073 1.627 1
1 918 . 18 1 1 A 71 71 SER CB C 71 63.300 63.167 0.133 1
1 919 . 18 1 1 A 71 71 SER N N 71 114.400 113.974 0.426 1
1 920 . 18 1 1 A 72 72 ASN H H 72 7.940 8.121 -0.181 1
1 921 . 18 1 1 A 72 72 ASN HA H 72 4.630 4.494 0.136 1
1 926 . 18 1 1 A 72 72 ASN C C 72 176.700 177.995 -1.295 1
1 927 . 18 1 1 A 72 72 ASN CA C 72 55.000 55.912 -0.912 1
1 928 . 18 1 1 A 72 72 ASN CB C 72 39.000 38.809 0.191 1
1 930 . 18 1 1 A 72 72 ASN N N 72 119.700 119.189 0.511 1
1 932 . 18 1 1 A 73 73 LEU H H 73 7.900 7.656 0.244 1
1 933 . 18 1 1 A 73 73 LEU HA H 73 4.180 3.932 0.248 1
1 943 . 18 1 1 A 73 73 LEU C C 73 178.400 177.218 1.182 1
1 944 . 18 1 1 A 73 73 LEU CA C 73 56.700 57.564 -0.864 1
1 945 . 18 1 1 A 73 73 LEU CB C 73 42.300 42.257 0.043 1
1 949 . 18 1 1 A 73 73 LEU N N 73 121.000 117.790 3.210 1
1 950 . 18 1 1 A 74 74 GLU H H 74 8.060 8.033 0.027 1
1 951 . 18 1 1 A 74 74 GLU HA H 74 4.120 4.403 -0.283 1
1 956 . 18 1 1 A 74 74 GLU C C 74 177.100 174.656 2.444 1
1 957 . 18 1 1 A 74 74 GLU CA C 74 57.400 56.805 0.595 1
1 958 . 18 1 1 A 74 74 GLU CB C 74 29.900 28.977 0.923 1
1 960 . 18 1 1 A 74 74 GLU N N 74 119.300 118.657 0.643 1
1 961 . 18 1 1 A 75 75 HIS H H 75 8.140 8.885 -0.745 1
1 962 . 18 1 1 A 75 75 HIS HA H 75 4.590 4.782 -0.192 1
1 966 . 18 1 1 A 75 75 HIS C C 75 174.900 175.232 -0.332 1
1 967 . 18 1 1 A 75 75 HIS CA C 75 56.100 55.399 0.701 1
1 968 . 18 1 1 A 75 75 HIS CB C 75 29.000 30.727 -1.727 1
1 970 . 18 1 1 A 75 75 HIS N N 75 117.500 120.131 -2.631 1
1 971 . 18 1 1 A 76 76 HIS H H 76 8.240 8.683 -0.443 1
1 972 . 18 1 1 A 76 76 HIS C C 76 174.500 174.123 0.377 1
1 973 . 18 1 1 A 76 76 HIS CA C 76 55.900 59.369 -3.469 1
1 974 . 18 1 1 A 76 76 HIS CB C 76 29.300 27.473 1.827 1
1 975 . 18 1 1 A 76 76 HIS N N 76 118.300 116.678 1.622 1
1 976 . 18 1 1 A 77 77 HIS H H 77 8.400 8.344 0.056 1
1 977 . 18 1 1 A 77 77 HIS HA H 77 4.640 4.827 -0.187 1
1 980 . 18 1 1 A 77 77 HIS C C 77 173.700 174.511 -0.811 1
1 981 . 18 1 1 A 77 77 HIS CA C 77 55.700 55.367 0.333 1
1 982 . 18 1 1 A 77 77 HIS CB C 77 29.700 29.265 0.435 1
1 983 . 18 1 1 A 77 77 HIS N N 77 119.300 115.768 3.532 1
1 984 . 18 1 1 A 78 78 HIS H H 78 8.330 9.325 -0.995 1
1 985 . 18 1 1 A 78 78 HIS CA C 78 57.200 54.952 2.248 1
1 986 . 18 1 1 A 78 78 HIS CB C 78 29.900 27.682 2.218 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 4.140 3.990 0.150 1
1 5 . 19 1 1 A 2 2 ALA C C 2 173.800 176.379 -2.579 1
1 6 . 19 1 1 A 2 2 ALA CA C 2 51.800 54.413 -2.613 1
1 7 . 19 1 1 A 2 2 ALA CB C 2 19.600 17.893 1.707 1
1 8 . 19 1 1 A 3 3 ILE H H 3 8.540 8.544 -0.004 1
1 9 . 19 1 1 A 3 3 ILE HA H 3 4.190 4.176 0.014 1
1 19 . 19 1 1 A 3 3 ILE C C 3 176.000 175.878 0.122 1
1 20 . 19 1 1 A 3 3 ILE CA C 3 61.300 61.470 -0.170 1
1 21 . 19 1 1 A 3 3 ILE CB C 3 38.800 37.513 1.287 1
1 25 . 19 1 1 A 3 3 ILE N N 3 120.500 120.222 0.278 1
1 26 . 19 1 1 A 4 4 GLN H H 4 8.570 8.685 -0.115 1
1 27 . 19 1 1 A 4 4 GLN HA H 4 4.400 4.440 -0.040 1
1 34 . 19 1 1 A 4 4 GLN C C 4 175.700 175.598 0.102 1
1 35 . 19 1 1 A 4 4 GLN CA C 4 55.800 55.025 0.775 1
1 36 . 19 1 1 A 4 4 GLN CB C 4 29.600 28.762 0.838 1
1 39 . 19 1 1 A 4 4 GLN N N 4 125.100 126.922 -1.822 1
1 41 . 19 1 1 A 5 5 SER H H 5 8.440 8.135 0.305 1
1 42 . 19 1 1 A 5 5 SER HA H 5 4.420 4.259 0.161 1
1 45 . 19 1 1 A 5 5 SER C C 5 174.300 173.875 0.425 1
1 46 . 19 1 1 A 5 5 SER CA C 5 58.200 58.488 -0.288 1
1 47 . 19 1 1 A 5 5 SER CB C 5 64.000 62.841 1.159 1
1 48 . 19 1 1 A 5 5 SER N N 5 118.100 114.658 3.442 1
1 49 . 19 1 1 A 6 6 LYS H H 6 8.320 8.394 -0.074 1
1 50 . 19 1 1 A 6 6 LYS HA H 6 4.110 4.534 -0.424 1
1 59 . 19 1 1 A 6 6 LYS C C 6 176.000 175.910 0.090 1
1 60 . 19 1 1 A 6 6 LYS CA C 6 57.200 57.156 0.044 1
1 61 . 19 1 1 A 6 6 LYS CB C 6 33.100 35.962 -2.862 1
1 65 . 19 1 1 A 6 6 LYS N N 6 123.600 122.060 1.540 1
1 66 . 19 1 1 A 7 7 TYR H H 7 8.000 7.680 0.320 1
1 67 . 19 1 1 A 7 7 TYR HA H 7 4.800 4.959 -0.159 1
1 74 . 19 1 1 A 7 7 TYR C C 7 175.800 175.679 0.121 1
1 75 . 19 1 1 A 7 7 TYR CA C 7 57.000 59.163 -2.163 1
1 76 . 19 1 1 A 7 7 TYR CB C 7 39.900 38.737 1.163 1
1 81 . 19 1 1 A 7 7 TYR N N 7 118.900 119.675 -0.775 1
1 82 . 19 1 1 A 8 8 SER H H 8 8.770 8.734 0.036 1
1 83 . 19 1 1 A 8 8 SER HA H 8 4.510 4.782 -0.272 1
1 86 . 19 1 1 A 8 8 SER C C 8 175.000 175.429 -0.429 1
1 87 . 19 1 1 A 8 8 SER CA C 8 57.500 57.081 0.419 1
1 88 . 19 1 1 A 8 8 SER CB C 8 64.700 65.694 -0.994 1
1 89 . 19 1 1 A 8 8 SER N N 8 118.600 121.320 -2.720 1
1 90 . 19 1 1 A 9 9 ASN H H 9 8.910 8.978 -0.068 1
1 91 . 19 1 1 A 9 9 ASN HA H 9 4.540 4.309 0.231 1
1 96 . 19 1 1 A 9 9 ASN C C 9 177.200 177.206 -0.006 1
1 97 . 19 1 1 A 9 9 ASN CA C 9 55.900 56.907 -1.007 1
1 98 . 19 1 1 A 9 9 ASN CB C 9 38.200 38.856 -0.656 1
1 100 . 19 1 1 A 9 9 ASN N N 9 121.400 122.951 -1.551 1
1 102 . 19 1 1 A 10 10 THR H H 10 8.180 8.228 -0.048 1
1 103 . 19 1 1 A 10 10 THR HA H 10 4.070 3.913 0.157 1
1 108 . 19 1 1 A 10 10 THR C C 10 176.600 176.642 -0.042 1
1 109 . 19 1 1 A 10 10 THR CA C 10 65.300 66.868 -1.568 1
1 110 . 19 1 1 A 10 10 THR CB C 10 68.800 67.872 0.928 1
1 112 . 19 1 1 A 10 10 THR N N 10 113.500 114.991 -1.491 1
1 113 . 19 1 1 A 11 11 GLN H H 11 7.950 7.936 0.014 1
1 114 . 19 1 1 A 11 11 GLN HA H 11 4.160 4.063 0.097 1
1 121 . 19 1 1 A 11 11 GLN C C 11 178.400 178.359 0.041 1
1 122 . 19 1 1 A 11 11 GLN CA C 11 59.000 58.595 0.405 1
1 123 . 19 1 1 A 11 11 GLN CB C 11 29.200 28.769 0.431 1
1 126 . 19 1 1 A 11 11 GLN N N 11 122.500 120.142 2.358 1
1 128 . 19 1 1 A 12 12 VAL H H 12 7.850 8.159 -0.309 1
1 129 . 19 1 1 A 12 12 VAL HA H 12 3.540 3.526 0.014 1
1 137 . 19 1 1 A 12 12 VAL C C 12 177.400 178.025 -0.625 1
1 138 . 19 1 1 A 12 12 VAL CA C 12 66.400 66.829 -0.429 1
1 139 . 19 1 1 A 12 12 VAL CB C 12 32.300 31.419 0.881 1
1 142 . 19 1 1 A 12 12 VAL N N 12 119.000 119.632 -0.632 1
1 143 . 19 1 1 A 13 13 GLU H H 13 8.550 8.771 -0.221 1
1 144 . 19 1 1 A 13 13 GLU HA H 13 3.910 3.885 0.025 1
1 149 . 19 1 1 A 13 13 GLU C C 13 179.500 178.840 0.660 1
1 150 . 19 1 1 A 13 13 GLU CA C 13 59.700 60.187 -0.487 1
1 151 . 19 1 1 A 13 13 GLU CB C 13 29.100 29.622 -0.522 1
1 153 . 19 1 1 A 13 13 GLU N N 13 118.300 120.907 -2.607 1
1 154 . 19 1 1 A 14 14 SER H H 14 8.080 7.728 0.352 1
1 155 . 19 1 1 A 14 14 SER HA H 14 4.260 4.206 0.054 1
1 158 . 19 1 1 A 14 14 SER C C 14 176.200 176.576 -0.376 1
1 159 . 19 1 1 A 14 14 SER CA C 14 61.700 62.266 -0.566 1
1 160 . 19 1 1 A 14 14 SER CB C 14 62.800 62.758 0.042 1
1 161 . 19 1 1 A 14 14 SER N N 14 114.600 116.030 -1.430 1
1 162 . 19 1 1 A 15 15 LEU H H 15 7.110 7.945 -0.835 1
1 163 . 19 1 1 A 15 15 LEU HA H 15 3.690 3.937 -0.247 1
1 173 . 19 1 1 A 15 15 LEU C C 15 177.800 179.245 -1.445 1
1 174 . 19 1 1 A 15 15 LEU CA C 15 57.700 58.152 -0.452 1
1 175 . 19 1 1 A 15 15 LEU CB C 15 42.300 42.037 0.263 1
1 179 . 19 1 1 A 15 15 LEU N N 15 122.200 121.076 1.124 1
1 180 . 19 1 1 A 16 16 ILE H H 16 8.030 8.336 -0.306 1
1 181 . 19 1 1 A 16 16 ILE HA H 16 3.220 3.676 -0.456 1
1 191 . 19 1 1 A 16 16 ILE C C 16 177.200 177.760 -0.560 1
1 192 . 19 1 1 A 16 16 ILE CA C 16 66.000 65.893 0.107 1
1 193 . 19 1 1 A 16 16 ILE CB C 16 39.100 37.761 1.339 1
1 197 . 19 1 1 A 16 16 ILE N N 16 117.900 118.772 -0.872 1
1 198 . 19 1 1 A 17 17 ALA H H 17 7.960 8.309 -0.349 1
1 199 . 19 1 1 A 17 17 ALA HA H 17 3.930 3.976 -0.046 1
1 203 . 19 1 1 A 17 17 ALA C C 17 180.600 179.820 0.780 1
1 204 . 19 1 1 A 17 17 ALA CA C 17 55.400 55.258 0.142 1
1 205 . 19 1 1 A 17 17 ALA CB C 17 18.000 18.105 -0.105 1
1 206 . 19 1 1 A 17 17 ALA N N 17 118.300 121.636 -3.336 1
1 207 . 19 1 1 A 18 18 GLU H H 18 7.630 7.880 -0.250 1
1 208 . 19 1 1 A 18 18 GLU HA H 18 4.030 4.129 -0.099 1
1 213 . 19 1 1 A 18 18 GLU C C 18 179.400 179.093 0.307 1
1 214 . 19 1 1 A 18 18 GLU CA C 18 59.800 58.735 1.065 1
1 215 . 19 1 1 A 18 18 GLU CB C 18 30.300 29.471 0.829 1
1 217 . 19 1 1 A 18 18 GLU N N 18 116.300 118.906 -2.606 1
1 218 . 19 1 1 A 19 19 ILE H H 19 8.110 7.751 0.359 1
1 219 . 19 1 1 A 19 19 ILE HA H 19 3.590 3.650 -0.060 1
1 229 . 19 1 1 A 19 19 ILE C C 19 177.800 178.732 -0.932 1
1 230 . 19 1 1 A 19 19 ILE CA C 19 66.500 65.646 0.854 1
1 231 . 19 1 1 A 19 19 ILE CB C 19 37.500 37.675 -0.175 1
1 235 . 19 1 1 A 19 19 ILE N N 19 121.100 120.438 0.662 1
1 236 . 19 1 1 A 20 20 LEU H H 20 8.480 7.870 0.610 1
1 237 . 19 1 1 A 20 20 LEU HA H 20 4.020 4.040 -0.020 1
1 247 . 19 1 1 A 20 20 LEU C C 20 180.500 179.108 1.392 1
1 248 . 19 1 1 A 20 20 LEU CA C 20 58.600 58.024 0.576 1
1 249 . 19 1 1 A 20 20 LEU CB C 20 40.400 41.634 -1.234 1
1 253 . 19 1 1 A 20 20 LEU N N 20 118.300 118.955 -0.655 1
1 254 . 19 1 1 A 21 21 VAL H H 21 7.810 8.143 -0.333 1
1 255 . 19 1 1 A 21 21 VAL HA H 21 3.770 3.569 0.201 1
1 263 . 19 1 1 A 21 21 VAL C C 21 178.200 178.385 -0.185 1
1 264 . 19 1 1 A 21 21 VAL CA C 21 66.800 66.421 0.379 1
1 265 . 19 1 1 A 21 21 VAL CB C 21 31.600 31.504 0.096 1
1 268 . 19 1 1 A 21 21 VAL N N 21 119.700 119.991 -0.291 1
1 269 . 19 1 1 A 22 22 VAL H H 22 7.530 7.941 -0.411 1
1 270 . 19 1 1 A 22 22 VAL HA H 22 3.610 3.581 0.029 1
1 278 . 19 1 1 A 22 22 VAL C C 22 178.500 178.142 0.358 1
1 279 . 19 1 1 A 22 22 VAL CA C 22 67.300 67.047 0.253 1
1 280 . 19 1 1 A 22 22 VAL CB C 22 31.500 31.700 -0.200 1
1 283 . 19 1 1 A 22 22 VAL N N 22 121.400 120.378 1.022 1
1 284 . 19 1 1 A 23 23 LEU H H 23 7.610 7.980 -0.370 1
1 285 . 19 1 1 A 23 23 LEU HA H 23 3.880 3.925 -0.045 1
1 295 . 19 1 1 A 23 23 LEU C C 23 179.700 179.484 0.216 1
1 296 . 19 1 1 A 23 23 LEU CA C 23 58.400 58.642 -0.242 1
1 297 . 19 1 1 A 23 23 LEU CB C 23 40.900 41.726 -0.826 1
1 301 . 19 1 1 A 23 23 LEU N N 23 116.800 118.747 -1.947 1
1 302 . 19 1 1 A 24 24 GLU H H 24 8.160 8.453 -0.293 1
1 303 . 19 1 1 A 24 24 GLU HA H 24 4.170 4.005 0.165 1
1 308 . 19 1 1 A 24 24 GLU C C 24 180.900 179.036 1.864 1
1 309 . 19 1 1 A 24 24 GLU CA C 24 59.000 59.389 -0.389 1
1 310 . 19 1 1 A 24 24 GLU CB C 24 29.700 29.240 0.460 1
1 312 . 19 1 1 A 24 24 GLU N N 24 119.200 118.889 0.311 1
1 313 . 19 1 1 A 25 25 LYS H H 25 8.980 8.060 0.920 1
1 314 . 19 1 1 A 25 25 LYS HA H 25 4.050 4.012 0.038 1
1 323 . 19 1 1 A 25 25 LYS C C 25 178.600 177.857 0.743 1
1 324 . 19 1 1 A 25 25 LYS CA C 25 59.300 58.812 0.488 1
1 325 . 19 1 1 A 25 25 LYS CB C 25 32.100 32.038 0.062 1
1 329 . 19 1 1 A 25 25 LYS N N 25 122.900 119.347 3.553 1
1 330 . 19 1 1 A 26 26 HIS H H 26 7.400 7.564 -0.164 1
1 331 . 19 1 1 A 26 26 HIS HA H 26 4.460 4.599 -0.139 1
1 336 . 19 1 1 A 26 26 HIS C C 26 173.600 174.443 -0.843 1
1 337 . 19 1 1 A 26 26 HIS CA C 26 56.500 55.571 0.929 1
1 338 . 19 1 1 A 26 26 HIS CB C 26 29.200 30.210 -1.010 1
1 341 . 19 1 1 A 26 26 HIS N N 26 113.800 113.893 -0.093 1
1 342 . 19 1 1 A 27 27 LYS H H 27 8.200 8.003 0.197 1
1 343 . 19 1 1 A 27 27 LYS HA H 27 3.950 3.883 0.067 1
1 352 . 19 1 1 A 27 27 LYS C C 27 176.500 175.494 1.006 1
1 353 . 19 1 1 A 27 27 LYS CA C 27 56.600 57.303 -0.703 1
1 354 . 19 1 1 A 27 27 LYS CB C 27 29.600 30.935 -1.335 1
1 358 . 19 1 1 A 27 27 LYS N N 27 119.500 119.065 0.435 1
1 359 . 19 1 1 A 28 28 ALA H H 28 7.760 7.737 0.023 1
1 360 . 19 1 1 A 28 28 ALA HA H 28 4.490 4.385 0.105 1
1 364 . 19 1 1 A 28 28 ALA CA C 28 51.000 50.613 0.387 1
1 365 . 19 1 1 A 28 28 ALA CB C 28 19.200 19.204 -0.004 1
1 366 . 19 1 1 A 28 28 ALA N N 28 121.500 120.854 0.646 1
1 367 . 19 1 1 A 29 29 PRO HA H 29 4.720 4.572 0.148 1
1 374 . 19 1 1 A 29 29 PRO C C 29 177.400 177.376 0.024 1
1 375 . 19 1 1 A 29 29 PRO CA C 29 62.100 62.701 -0.601 1
1 376 . 19 1 1 A 29 29 PRO CB C 29 33.000 33.176 -0.176 1
1 379 . 19 1 1 A 30 30 THR H H 30 8.830 8.411 0.419 1
1 380 . 19 1 1 A 30 30 THR HA H 30 3.680 3.942 -0.262 1
1 385 . 19 1 1 A 30 30 THR C C 30 175.200 175.829 -0.629 1
1 386 . 19 1 1 A 30 30 THR CA C 30 67.400 65.626 1.774 1
1 387 . 19 1 1 A 30 30 THR CB C 30 68.500 68.600 -0.100 1
1 389 . 19 1 1 A 30 30 THR N N 30 120.400 117.156 3.244 1
1 390 . 19 1 1 A 31 31 ASP H H 31 8.880 8.566 0.314 1
1 391 . 19 1 1 A 31 31 ASP HA H 31 4.220 4.407 -0.187 1
1 394 . 19 1 1 A 31 31 ASP C C 31 179.000 178.727 0.273 1
1 395 . 19 1 1 A 31 31 ASP CA C 31 57.400 57.035 0.365 1
1 396 . 19 1 1 A 31 31 ASP CB C 31 38.700 40.006 -1.306 1
1 397 . 19 1 1 A 31 31 ASP N N 31 118.600 120.083 -1.483 1
1 398 . 19 1 1 A 32 32 LEU H H 32 7.540 7.884 -0.344 1
1 399 . 19 1 1 A 32 32 LEU HA H 32 3.970 4.040 -0.070 1
1 409 . 19 1 1 A 32 32 LEU C C 32 178.100 178.864 -0.764 1
1 410 . 19 1 1 A 32 32 LEU CA C 32 57.500 57.647 -0.147 1
1 411 . 19 1 1 A 32 32 LEU CB C 32 40.600 41.607 -1.007 1
1 415 . 19 1 1 A 32 32 LEU N N 32 124.300 121.251 3.049 1
1 416 . 19 1 1 A 33 33 SER H H 33 8.420 8.330 0.090 1
1 417 . 19 1 1 A 33 33 SER HA H 33 3.860 4.075 -0.215 1
1 420 . 19 1 1 A 33 33 SER C C 33 175.900 176.170 -0.270 1
1 421 . 19 1 1 A 33 33 SER CA C 33 63.100 62.385 0.715 1
1 422 . 19 1 1 A 33 33 SER CB C 33 62.900 63.144 -0.244 1
1 423 . 19 1 1 A 33 33 SER N N 33 116.000 117.055 -1.055 1
1 424 . 19 1 1 A 34 34 LEU H H 34 8.400 8.526 -0.126 1
1 425 . 19 1 1 A 34 34 LEU HA H 34 4.010 4.025 -0.015 1
1 435 . 19 1 1 A 34 34 LEU C C 34 179.500 179.467 0.033 1
1 436 . 19 1 1 A 34 34 LEU CA C 34 58.700 57.838 0.862 1
1 437 . 19 1 1 A 34 34 LEU CB C 34 41.500 41.036 0.464 1
1 441 . 19 1 1 A 34 34 LEU N N 34 120.400 120.889 -0.489 1
1 442 . 19 1 1 A 35 35 MET H H 35 7.970 8.314 -0.344 1
1 443 . 19 1 1 A 35 35 MET HA H 35 4.210 4.157 0.053 1
1 451 . 19 1 1 A 35 35 MET C C 35 178.900 177.826 1.074 1
1 452 . 19 1 1 A 35 35 MET CA C 35 59.100 58.463 0.637 1
1 453 . 19 1 1 A 35 35 MET CB C 35 33.100 32.276 0.824 1
1 456 . 19 1 1 A 35 35 MET N N 35 120.300 118.844 1.456 1
1 457 . 19 1 1 A 36 36 ALA H H 36 8.710 7.888 0.822 1
1 458 . 19 1 1 A 36 36 ALA HA H 36 3.900 4.062 -0.162 1
1 462 . 19 1 1 A 36 36 ALA C C 36 179.700 179.939 -0.239 1
1 463 . 19 1 1 A 36 36 ALA CA C 36 55.400 55.112 0.288 1
1 464 . 19 1 1 A 36 36 ALA CB C 36 18.600 18.453 0.147 1
1 465 . 19 1 1 A 36 36 ALA N N 36 121.700 121.578 0.122 1
1 466 . 19 1 1 A 37 37 LEU H H 37 8.750 8.653 0.097 1
1 467 . 19 1 1 A 37 37 LEU HA H 37 3.980 3.934 0.046 1
1 477 . 19 1 1 A 37 37 LEU C C 37 179.600 179.171 0.429 1
1 478 . 19 1 1 A 37 37 LEU CA C 37 59.000 57.923 1.077 1
1 479 . 19 1 1 A 37 37 LEU CB C 37 42.000 41.966 0.034 1
1 483 . 19 1 1 A 37 37 LEU N N 37 118.100 118.661 -0.561 1
1 484 . 19 1 1 A 38 38 GLY H H 38 8.780 8.655 0.125 1
1 485 . 19 1 1 A 38 38 GLY HA2 H 38 3.650 3.706 -0.056 1
1 486 . 19 1 1 A 38 38 GLY HA3 H 38 3.940 3.719 0.221 1
1 487 . 19 1 1 A 38 38 GLY C C 38 175.600 175.944 -0.344 1
1 488 . 19 1 1 A 38 38 GLY CA C 38 48.300 47.475 0.825 1
1 489 . 19 1 1 A 38 38 GLY N N 38 105.600 105.702 -0.102 1
1 490 . 19 1 1 A 39 39 ASN H H 39 8.180 7.803 0.377 1
1 491 . 19 1 1 A 39 39 ASN HA H 39 4.550 4.465 0.085 1
1 496 . 19 1 1 A 39 39 ASN C C 39 178.400 177.986 0.414 1
1 497 . 19 1 1 A 39 39 ASN CA C 39 56.000 56.117 -0.117 1
1 498 . 19 1 1 A 39 39 ASN CB C 39 39.200 37.944 1.256 1
1 500 . 19 1 1 A 39 39 ASN N N 39 120.000 119.684 0.316 1
1 502 . 19 1 1 A 40 40 CYS H H 40 8.420 8.130 0.290 1
1 503 . 19 1 1 A 40 40 CYS HA H 40 4.010 4.070 -0.060 1
1 506 . 19 1 1 A 40 40 CYS C C 40 176.000 177.014 -1.014 1
1 507 . 19 1 1 A 40 40 CYS CA C 40 65.300 62.558 2.742 1
1 508 . 19 1 1 A 40 40 CYS CB C 40 27.200 26.558 0.642 1
1 509 . 19 1 1 A 40 40 CYS N N 40 120.200 119.323 0.877 1
1 510 . 19 1 1 A 41 41 VAL H H 41 7.830 8.483 -0.653 1
1 511 . 19 1 1 A 41 41 VAL HA H 41 3.250 3.390 -0.140 1
1 519 . 19 1 1 A 41 41 VAL C C 41 177.500 178.451 -0.951 1
1 520 . 19 1 1 A 41 41 VAL CA C 41 67.500 66.794 0.706 1
1 521 . 19 1 1 A 41 41 VAL CB C 41 30.800 31.443 -0.643 1
1 524 . 19 1 1 A 41 41 VAL N N 41 119.400 120.317 -0.917 1
1 525 . 19 1 1 A 42 42 THR H H 42 8.270 7.875 0.395 1
1 526 . 19 1 1 A 42 42 THR HA H 42 3.520 3.820 -0.300 1
1 531 . 19 1 1 A 42 42 THR C C 42 176.200 176.300 -0.100 1
1 532 . 19 1 1 A 42 42 THR CA C 42 67.800 66.572 1.228 1
1 533 . 19 1 1 A 42 42 THR CB C 42 67.800 68.489 -0.689 1
1 535 . 19 1 1 A 42 42 THR N N 42 113.600 116.520 -2.920 1
1 536 . 19 1 1 A 43 43 HIS H H 43 8.250 7.675 0.575 1
1 537 . 19 1 1 A 43 43 HIS HA H 43 4.310 4.544 -0.234 1
1 542 . 19 1 1 A 43 43 HIS C C 43 177.200 177.213 -0.013 1
1 543 . 19 1 1 A 43 43 HIS CA C 43 59.300 58.826 0.474 1
1 544 . 19 1 1 A 43 43 HIS CB C 43 28.900 29.978 -1.078 1
1 547 . 19 1 1 A 43 43 HIS N N 43 120.000 121.971 -1.971 1
1 550 . 19 1 1 A 44 44 LEU H H 44 8.070 8.181 -0.111 1
1 551 . 19 1 1 A 44 44 LEU HA H 44 3.960 3.800 0.160 1
1 561 . 19 1 1 A 44 44 LEU C C 44 179.300 179.775 -0.475 1
1 562 . 19 1 1 A 44 44 LEU CA C 44 58.400 57.550 0.850 1
1 563 . 19 1 1 A 44 44 LEU CB C 44 42.200 41.027 1.173 1
1 567 . 19 1 1 A 44 44 LEU N N 44 119.400 119.741 -0.341 1
1 568 . 19 1 1 A 45 45 LEU H H 45 8.410 7.707 0.703 1
1 569 . 19 1 1 A 45 45 LEU HA H 45 3.850 3.943 -0.093 1
1 579 . 19 1 1 A 45 45 LEU C C 45 178.700 178.337 0.363 1
1 580 . 19 1 1 A 45 45 LEU CA C 45 58.200 57.282 0.918 1
1 581 . 19 1 1 A 45 45 LEU CB C 45 41.800 41.056 0.744 1
1 585 . 19 1 1 A 45 45 LEU N N 45 118.100 119.858 -1.758 1
1 586 . 19 1 1 A 46 46 GLU H H 46 8.120 7.670 0.450 1
1 587 . 19 1 1 A 46 46 GLU HA H 46 3.740 4.252 -0.512 1
1 592 . 19 1 1 A 46 46 GLU C C 46 178.000 178.503 -0.503 1
1 593 . 19 1 1 A 46 46 GLU CA C 46 58.900 58.359 0.541 1
1 594 . 19 1 1 A 46 46 GLU CB C 46 29.700 29.159 0.541 1
1 596 . 19 1 1 A 46 46 GLU N N 46 115.000 118.895 -3.895 1
1 597 . 19 1 1 A 47 47 ARG H H 47 7.740 7.758 -0.018 1
1 598 . 19 1 1 A 47 47 ARG HA H 47 4.270 4.057 0.213 1
1 606 . 19 1 1 A 47 47 ARG C C 47 178.500 177.374 1.126 1
1 607 . 19 1 1 A 47 47 ARG CA C 47 57.000 58.260 -1.260 1
1 608 . 19 1 1 A 47 47 ARG CB C 47 31.600 31.051 0.549 1
1 611 . 19 1 1 A 47 47 ARG N N 47 114.000 120.657 -6.657 1
1 613 . 19 1 1 A 48 48 LYS H H 48 8.210 8.209 0.001 1
1 614 . 19 1 1 A 48 48 LYS HA H 48 4.620 4.473 0.147 1
1 623 . 19 1 1 A 48 48 LYS C C 48 176.400 174.859 1.541 1
1 624 . 19 1 1 A 48 48 LYS CA C 48 55.500 55.172 0.328 1
1 625 . 19 1 1 A 48 48 LYS CB C 48 34.500 32.841 1.659 1
1 629 . 19 1 1 A 48 48 LYS N N 48 114.000 117.060 -3.060 1
1 630 . 19 1 1 A 49 49 VAL H H 49 7.630 7.024 0.606 1
1 631 . 19 1 1 A 49 49 VAL HA H 49 4.710 4.470 0.240 1
1 639 . 19 1 1 A 49 49 VAL CA C 49 59.400 58.477 0.923 1
1 640 . 19 1 1 A 49 49 VAL CB C 49 33.600 34.159 -0.559 1
1 643 . 19 1 1 A 49 49 VAL N N 49 121.800 120.055 1.745 1
1 644 . 19 1 1 A 50 50 PRO HA H 50 4.460 4.523 -0.063 1
1 651 . 19 1 1 A 50 50 PRO C C 50 177.900 177.695 0.205 1
1 652 . 19 1 1 A 50 50 PRO CA C 50 63.200 62.611 0.589 1
1 653 . 19 1 1 A 50 50 PRO CB C 50 32.900 32.716 0.184 1
1 656 . 19 1 1 A 51 51 SER H H 51 8.950 8.734 0.216 1
1 657 . 19 1 1 A 51 51 SER HA H 51 3.910 4.179 -0.269 1
1 660 . 19 1 1 A 51 51 SER C C 51 176.300 176.853 -0.553 1
1 661 . 19 1 1 A 51 51 SER CA C 51 62.800 61.720 1.080 1
1 662 . 19 1 1 A 51 51 SER CB C 51 62.700 63.068 -0.368 1
1 663 . 19 1 1 A 51 51 SER N N 51 119.000 118.872 0.128 1
1 664 . 19 1 1 A 52 52 GLU H H 52 9.480 8.341 1.139 1
1 665 . 19 1 1 A 52 52 GLU HA H 52 4.220 4.080 0.140 1
1 670 . 19 1 1 A 52 52 GLU C C 52 177.000 178.685 -1.685 1
1 671 . 19 1 1 A 52 52 GLU CA C 52 59.200 59.431 -0.231 1
1 672 . 19 1 1 A 52 52 GLU CB C 52 28.700 28.947 -0.247 1
1 674 . 19 1 1 A 52 52 GLU N N 52 118.900 119.642 -0.742 1
1 675 . 19 1 1 A 53 53 SER H H 53 7.770 7.763 0.007 1
1 676 . 19 1 1 A 53 53 SER HA H 53 4.940 4.179 0.761 1
1 679 . 19 1 1 A 53 53 SER C C 53 174.200 177.022 -2.822 1
1 680 . 19 1 1 A 53 53 SER CA C 53 58.200 61.203 -3.003 1
1 681 . 19 1 1 A 53 53 SER CB C 53 64.800 63.131 1.669 1
1 682 . 19 1 1 A 53 53 SER N N 53 112.500 115.725 -3.225 1
1 683 . 19 1 1 A 54 54 ARG H H 54 7.380 8.120 -0.740 1
1 684 . 19 1 1 A 54 54 ARG HA H 54 3.630 4.060 -0.430 1
1 696 . 19 1 1 A 54 54 ARG C C 54 177.200 178.861 -1.661 1
1 697 . 19 1 1 A 54 54 ARG CA C 54 61.400 59.579 1.821 1
1 698 . 19 1 1 A 54 54 ARG CB C 54 31.200 29.993 1.207 1
1 701 . 19 1 1 A 54 54 ARG N N 54 122.100 121.054 1.046 1
1 703 . 19 1 1 A 55 55 GLN H H 55 9.010 7.840 1.170 1
1 704 . 19 1 1 A 55 55 GLN HA H 55 3.840 4.060 -0.220 1
1 711 . 19 1 1 A 55 55 GLN C C 55 178.000 178.056 -0.056 1
1 712 . 19 1 1 A 55 55 GLN CA C 55 59.700 58.832 0.868 1
1 713 . 19 1 1 A 55 55 GLN CB C 55 28.100 28.777 -0.677 1
1 716 . 19 1 1 A 55 55 GLN N N 55 118.000 118.843 -0.843 1
1 718 . 19 1 1 A 56 56 ALA H H 56 8.280 7.569 0.711 1
1 719 . 19 1 1 A 56 56 ALA HA H 56 4.190 4.148 0.042 1
1 723 . 19 1 1 A 56 56 ALA C C 56 181.200 180.076 1.124 1
1 724 . 19 1 1 A 56 56 ALA CA C 56 55.200 54.847 0.353 1
1 725 . 19 1 1 A 56 56 ALA CB C 56 17.900 18.613 -0.713 1
1 726 . 19 1 1 A 56 56 ALA N N 56 122.300 122.832 -0.532 1
1 727 . 19 1 1 A 57 57 VAL H H 57 8.150 8.608 -0.458 1
1 728 . 19 1 1 A 57 57 VAL HA H 57 3.740 3.509 0.231 1
1 736 . 19 1 1 A 57 57 VAL C C 57 178.900 178.164 0.736 1
1 737 . 19 1 1 A 57 57 VAL CA C 57 66.700 66.454 0.246 1
1 738 . 19 1 1 A 57 57 VAL CB C 57 31.700 31.549 0.151 1
1 741 . 19 1 1 A 57 57 VAL N N 57 119.600 118.883 0.717 1
1 742 . 19 1 1 A 58 58 ALA H H 58 8.370 8.178 0.192 1
1 743 . 19 1 1 A 58 58 ALA HA H 58 3.910 3.942 -0.032 1
1 747 . 19 1 1 A 58 58 ALA C C 58 179.500 178.967 0.533 1
1 748 . 19 1 1 A 58 58 ALA CA C 58 55.800 55.565 0.235 1
1 749 . 19 1 1 A 58 58 ALA CB C 58 18.500 18.118 0.382 1
1 750 . 19 1 1 A 58 58 ALA N N 58 123.000 121.796 1.204 1
1 751 . 19 1 1 A 59 59 GLU H H 59 8.630 8.055 0.575 1
1 752 . 19 1 1 A 59 59 GLU HA H 59 4.100 4.034 0.066 1
1 757 . 19 1 1 A 59 59 GLU C C 59 179.400 178.886 0.514 1
1 758 . 19 1 1 A 59 59 GLU CA C 59 59.600 59.738 -0.138 1
1 759 . 19 1 1 A 59 59 GLU CB C 59 29.300 28.956 0.344 1
1 761 . 19 1 1 A 59 59 GLU N N 59 118.400 118.530 -0.130 1
1 762 . 19 1 1 A 60 60 GLN H H 60 8.280 8.515 -0.235 1
1 763 . 19 1 1 A 60 60 GLN HA H 60 4.090 4.072 0.018 1
1 770 . 19 1 1 A 60 60 GLN C C 60 178.700 178.574 0.126 1
1 771 . 19 1 1 A 60 60 GLN CA C 60 59.100 59.010 0.090 1
1 772 . 19 1 1 A 60 60 GLN CB C 60 28.100 28.220 -0.120 1
1 775 . 19 1 1 A 60 60 GLN N N 60 120.400 118.615 1.785 1
1 777 . 19 1 1 A 61 61 PHE H H 61 8.400 8.929 -0.529 1
1 778 . 19 1 1 A 61 61 PHE HA H 61 4.160 4.284 -0.124 1
1 786 . 19 1 1 A 61 61 PHE C C 61 177.600 177.798 -0.198 1
1 787 . 19 1 1 A 61 61 PHE CA C 61 61.400 61.781 -0.381 1
1 788 . 19 1 1 A 61 61 PHE CB C 61 39.100 39.228 -0.128 1
1 794 . 19 1 1 A 61 61 PHE N N 61 122.000 121.434 0.566 1
1 795 . 19 1 1 A 62 62 ALA H H 62 8.620 8.207 0.413 1
1 796 . 19 1 1 A 62 62 ALA HA H 62 3.980 4.012 -0.032 1
1 800 . 19 1 1 A 62 62 ALA C C 62 179.700 179.811 -0.111 1
1 801 . 19 1 1 A 62 62 ALA CA C 62 55.500 55.429 0.071 1
1 802 . 19 1 1 A 62 62 ALA CB C 62 18.900 18.190 0.710 1
1 803 . 19 1 1 A 62 62 ALA N N 62 122.000 121.164 0.836 1
1 804 . 19 1 1 A 63 63 LYS H H 63 8.470 7.965 0.505 1
1 805 . 19 1 1 A 63 63 LYS HA H 63 4.050 3.969 0.081 1
1 814 . 19 1 1 A 63 63 LYS C C 63 179.200 178.978 0.222 1
1 815 . 19 1 1 A 63 63 LYS CA C 63 59.600 58.821 0.779 1
1 816 . 19 1 1 A 63 63 LYS CB C 63 32.600 31.407 1.193 1
1 820 . 19 1 1 A 63 63 LYS N N 63 119.500 116.357 3.143 1
1 821 . 19 1 1 A 64 64 ALA H H 64 8.000 7.909 0.091 1
1 822 . 19 1 1 A 64 64 ALA HA H 64 4.100 3.995 0.105 1
1 826 . 19 1 1 A 64 64 ALA C C 64 180.700 180.084 0.616 1
1 827 . 19 1 1 A 64 64 ALA CA C 64 55.000 54.902 0.098 1
1 828 . 19 1 1 A 64 64 ALA CB C 64 17.700 17.957 -0.257 1
1 829 . 19 1 1 A 64 64 ALA N N 64 122.000 122.227 -0.227 1
1 830 . 19 1 1 A 65 65 LEU H H 65 7.830 8.184 -0.354 1
1 831 . 19 1 1 A 65 65 LEU HA H 65 3.950 3.889 0.061 1
1 841 . 19 1 1 A 65 65 LEU C C 65 178.900 178.380 0.520 1
1 842 . 19 1 1 A 65 65 LEU CA C 65 57.800 57.376 0.424 1
1 843 . 19 1 1 A 65 65 LEU CB C 65 41.700 41.330 0.370 1
1 847 . 19 1 1 A 65 65 LEU N N 65 120.600 120.101 0.499 1
1 848 . 19 1 1 A 66 66 ALA H H 66 7.990 8.566 -0.576 1
1 849 . 19 1 1 A 66 66 ALA HA H 66 3.840 4.047 -0.207 1
1 853 . 19 1 1 A 66 66 ALA C C 66 180.300 179.716 0.584 1
1 854 . 19 1 1 A 66 66 ALA CA C 66 55.500 55.252 0.248 1
1 855 . 19 1 1 A 66 66 ALA CB C 66 17.900 18.719 -0.819 1
1 856 . 19 1 1 A 66 66 ALA N N 66 120.900 122.114 -1.214 1
1 857 . 19 1 1 A 67 67 GLN H H 67 8.140 8.281 -0.141 1
1 858 . 19 1 1 A 67 67 GLN HA H 67 4.070 4.045 0.025 1
1 865 . 19 1 1 A 67 67 GLN C C 67 178.400 178.564 -0.164 1
1 866 . 19 1 1 A 67 67 GLN CA C 67 58.300 58.685 -0.385 1
1 867 . 19 1 1 A 67 67 GLN CB C 67 28.400 28.418 -0.018 1
1 870 . 19 1 1 A 67 67 GLN N N 67 116.600 117.825 -1.225 1
1 872 . 19 1 1 A 68 68 SER H H 68 8.120 7.810 0.310 1
1 873 . 19 1 1 A 68 68 SER HA H 68 4.220 4.176 0.044 1
1 876 . 19 1 1 A 68 68 SER C C 68 176.500 177.445 -0.945 1
1 877 . 19 1 1 A 68 68 SER CA C 68 61.500 61.552 -0.052 1
1 878 . 19 1 1 A 68 68 SER CB C 68 63.000 62.958 0.042 1
1 879 . 19 1 1 A 68 68 SER N N 68 116.700 115.812 0.888 1
1 880 . 19 1 1 A 69 69 VAL H H 69 7.660 7.994 -0.334 1
1 881 . 19 1 1 A 69 69 VAL HA H 69 3.860 3.478 0.382 1
1 889 . 19 1 1 A 69 69 VAL C C 69 177.400 178.473 -1.073 1
1 890 . 19 1 1 A 69 69 VAL CA C 69 64.900 66.802 -1.902 1
1 891 . 19 1 1 A 69 69 VAL CB C 69 31.900 31.538 0.362 1
1 894 . 19 1 1 A 69 69 VAL N N 69 119.800 121.646 -1.846 1
1 895 . 19 1 1 A 70 70 LYS H H 70 7.860 8.194 -0.334 1
1 896 . 19 1 1 A 70 70 LYS HA H 70 4.040 4.079 -0.039 1
1 905 . 19 1 1 A 70 70 LYS C C 70 178.400 178.897 -0.497 1
1 906 . 19 1 1 A 70 70 LYS CA C 70 59.200 58.837 0.363 1
1 907 . 19 1 1 A 70 70 LYS CB C 70 32.800 31.925 0.875 1
1 911 . 19 1 1 A 70 70 LYS N N 70 121.300 121.131 0.169 1
1 912 . 19 1 1 A 71 71 SER H H 71 8.390 8.095 0.295 1
1 913 . 19 1 1 A 71 71 SER HA H 71 4.280 4.402 -0.122 1
1 916 . 19 1 1 A 71 71 SER C C 71 176.000 175.920 0.080 1
1 917 . 19 1 1 A 71 71 SER CA C 71 60.700 60.717 -0.017 1
1 918 . 19 1 1 A 71 71 SER CB C 71 63.300 62.943 0.357 1
1 919 . 19 1 1 A 71 71 SER N N 71 114.400 114.331 0.069 1
1 920 . 19 1 1 A 72 72 ASN H H 72 7.940 8.066 -0.126 1
1 921 . 19 1 1 A 72 72 ASN HA H 72 4.630 4.637 -0.007 1
1 926 . 19 1 1 A 72 72 ASN C C 72 176.700 176.733 -0.033 1
1 927 . 19 1 1 A 72 72 ASN CA C 72 55.000 56.236 -1.236 1
1 928 . 19 1 1 A 72 72 ASN CB C 72 39.000 38.299 0.701 1
1 930 . 19 1 1 A 72 72 ASN N N 72 119.700 118.644 1.056 1
1 932 . 19 1 1 A 73 73 LEU H H 73 7.900 7.732 0.168 1
1 933 . 19 1 1 A 73 73 LEU HA H 73 4.180 4.234 -0.054 1
1 943 . 19 1 1 A 73 73 LEU C C 73 178.400 177.267 1.133 1
1 944 . 19 1 1 A 73 73 LEU CA C 73 56.700 55.204 1.496 1
1 945 . 19 1 1 A 73 73 LEU CB C 73 42.300 42.342 -0.042 1
1 949 . 19 1 1 A 73 73 LEU N N 73 121.000 118.295 2.705 1
1 950 . 19 1 1 A 74 74 GLU H H 74 8.060 7.645 0.415 1
1 951 . 19 1 1 A 74 74 GLU HA H 74 4.120 3.952 0.168 1
1 956 . 19 1 1 A 74 74 GLU C C 74 177.100 176.512 0.588 1
1 957 . 19 1 1 A 74 74 GLU CA C 74 57.400 55.767 1.633 1
1 958 . 19 1 1 A 74 74 GLU CB C 74 29.900 30.016 -0.116 1
1 960 . 19 1 1 A 74 74 GLU N N 74 119.300 119.121 0.179 1
1 961 . 19 1 1 A 75 75 HIS H H 75 8.140 7.581 0.559 1
1 962 . 19 1 1 A 75 75 HIS HA H 75 4.590 4.303 0.287 1
1 966 . 19 1 1 A 75 75 HIS C C 75 174.900 174.845 0.055 1
1 967 . 19 1 1 A 75 75 HIS CA C 75 56.100 59.671 -3.571 1
1 968 . 19 1 1 A 75 75 HIS CB C 75 29.000 30.238 -1.238 1
1 970 . 19 1 1 A 75 75 HIS N N 75 117.500 118.954 -1.454 1
1 971 . 19 1 1 A 76 76 HIS H H 76 8.240 8.088 0.152 1
1 972 . 19 1 1 A 76 76 HIS C C 76 174.500 174.814 -0.314 1
1 973 . 19 1 1 A 76 76 HIS CA C 76 55.900 55.016 0.884 1
1 974 . 19 1 1 A 76 76 HIS CB C 76 29.300 32.342 -3.042 1
1 975 . 19 1 1 A 76 76 HIS N N 76 118.300 116.701 1.599 1
1 976 . 19 1 1 A 77 77 HIS H H 77 8.400 8.738 -0.338 1
1 977 . 19 1 1 A 77 77 HIS HA H 77 4.640 3.924 0.716 1
1 980 . 19 1 1 A 77 77 HIS C C 77 173.700 174.019 -0.319 1
1 981 . 19 1 1 A 77 77 HIS CA C 77 55.700 56.703 -1.003 1
1 982 . 19 1 1 A 77 77 HIS CB C 77 29.700 28.007 1.693 1
1 983 . 19 1 1 A 77 77 HIS N N 77 119.300 124.942 -5.642 1
1 984 . 19 1 1 A 78 78 HIS H H 78 8.330 7.926 0.404 1
1 985 . 19 1 1 A 78 78 HIS CA C 78 57.200 54.167 3.033 1
1 986 . 19 1 1 A 78 78 HIS CB C 78 29.900 33.638 -3.738 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 4.140 4.422 -0.282 1
1 5 . 20 1 1 A 2 2 ALA C C 2 173.800 178.781 -4.981 1
1 6 . 20 1 1 A 2 2 ALA CA C 2 51.800 52.490 -0.690 1
1 7 . 20 1 1 A 2 2 ALA CB C 2 19.600 19.020 0.580 1
1 8 . 20 1 1 A 3 3 ILE H H 3 8.540 8.851 -0.311 1
1 9 . 20 1 1 A 3 3 ILE HA H 3 4.190 4.249 -0.059 1
1 19 . 20 1 1 A 3 3 ILE C C 3 176.000 176.230 -0.230 1
1 20 . 20 1 1 A 3 3 ILE CA C 3 61.300 62.177 -0.877 1
1 21 . 20 1 1 A 3 3 ILE CB C 3 38.800 38.555 0.245 1
1 25 . 20 1 1 A 3 3 ILE N N 3 120.500 118.520 1.980 1
1 26 . 20 1 1 A 4 4 GLN H H 4 8.570 7.637 0.933 1
1 27 . 20 1 1 A 4 4 GLN HA H 4 4.400 4.551 -0.151 1
1 34 . 20 1 1 A 4 4 GLN C C 4 175.700 174.379 1.321 1
1 35 . 20 1 1 A 4 4 GLN CA C 4 55.800 54.910 0.890 1
1 36 . 20 1 1 A 4 4 GLN CB C 4 29.600 30.798 -1.198 1
1 39 . 20 1 1 A 4 4 GLN N N 4 125.100 118.069 7.031 1
1 41 . 20 1 1 A 5 5 SER H H 5 8.440 8.488 -0.048 1
1 42 . 20 1 1 A 5 5 SER HA H 5 4.420 4.633 -0.213 1
1 45 . 20 1 1 A 5 5 SER C C 5 174.300 173.668 0.632 1
1 46 . 20 1 1 A 5 5 SER CA C 5 58.200 58.213 -0.013 1
1 47 . 20 1 1 A 5 5 SER CB C 5 64.000 63.451 0.549 1
1 48 . 20 1 1 A 5 5 SER N N 5 118.100 116.270 1.830 1
1 49 . 20 1 1 A 6 6 LYS H H 6 8.320 7.490 0.830 1
1 50 . 20 1 1 A 6 6 LYS HA H 6 4.110 3.991 0.119 1
1 59 . 20 1 1 A 6 6 LYS C C 6 176.000 176.250 -0.250 1
1 60 . 20 1 1 A 6 6 LYS CA C 6 57.200 55.699 1.501 1
1 61 . 20 1 1 A 6 6 LYS CB C 6 33.100 33.125 -0.025 1
1 65 . 20 1 1 A 6 6 LYS N N 6 123.600 122.900 0.700 1
1 66 . 20 1 1 A 7 7 TYR H H 7 8.000 7.870 0.130 1
1 67 . 20 1 1 A 7 7 TYR HA H 7 4.800 4.225 0.575 1
1 74 . 20 1 1 A 7 7 TYR C C 7 175.800 176.040 -0.240 1
1 75 . 20 1 1 A 7 7 TYR CA C 7 57.000 61.143 -4.143 1
1 76 . 20 1 1 A 7 7 TYR CB C 7 39.900 38.413 1.487 1
1 81 . 20 1 1 A 7 7 TYR N N 7 118.900 126.252 -7.352 1
1 82 . 20 1 1 A 8 8 SER H H 8 8.770 7.836 0.934 1
1 83 . 20 1 1 A 8 8 SER HA H 8 4.510 4.654 -0.144 1
1 86 . 20 1 1 A 8 8 SER C C 8 175.000 174.038 0.962 1
1 87 . 20 1 1 A 8 8 SER CA C 8 57.500 57.238 0.262 1
1 88 . 20 1 1 A 8 8 SER CB C 8 64.700 65.843 -1.143 1
1 89 . 20 1 1 A 8 8 SER N N 8 118.600 109.897 8.703 1
1 90 . 20 1 1 A 9 9 ASN H H 9 8.910 9.121 -0.211 1
1 91 . 20 1 1 A 9 9 ASN HA H 9 4.540 4.392 0.148 1
1 96 . 20 1 1 A 9 9 ASN C C 9 177.200 177.199 0.001 1
1 97 . 20 1 1 A 9 9 ASN CA C 9 55.900 56.721 -0.821 1
1 98 . 20 1 1 A 9 9 ASN CB C 9 38.200 38.640 -0.440 1
1 100 . 20 1 1 A 9 9 ASN N N 9 121.400 124.733 -3.333 1
1 102 . 20 1 1 A 10 10 THR H H 10 8.180 8.160 0.020 1
1 103 . 20 1 1 A 10 10 THR HA H 10 4.070 4.025 0.045 1
1 108 . 20 1 1 A 10 10 THR C C 10 176.600 176.647 -0.047 1
1 109 . 20 1 1 A 10 10 THR CA C 10 65.300 65.427 -0.127 1
1 110 . 20 1 1 A 10 10 THR CB C 10 68.800 68.170 0.630 1
1 112 . 20 1 1 A 10 10 THR N N 10 113.500 114.138 -0.638 1
1 113 . 20 1 1 A 11 11 GLN H H 11 7.950 7.957 -0.007 1
1 114 . 20 1 1 A 11 11 GLN HA H 11 4.160 3.943 0.217 1
1 121 . 20 1 1 A 11 11 GLN C C 11 178.400 178.568 -0.168 1
1 122 . 20 1 1 A 11 11 GLN CA C 11 59.000 59.104 -0.104 1
1 123 . 20 1 1 A 11 11 GLN CB C 11 29.200 28.499 0.701 1
1 126 . 20 1 1 A 11 11 GLN N N 11 122.500 121.519 0.981 1
1 128 . 20 1 1 A 12 12 VAL H H 12 7.850 7.687 0.163 1
1 129 . 20 1 1 A 12 12 VAL HA H 12 3.540 3.465 0.075 1
1 137 . 20 1 1 A 12 12 VAL C C 12 177.400 177.677 -0.277 1
1 138 . 20 1 1 A 12 12 VAL CA C 12 66.400 66.180 0.220 1
1 139 . 20 1 1 A 12 12 VAL CB C 12 32.300 31.625 0.675 1
1 142 . 20 1 1 A 12 12 VAL N N 12 119.000 119.746 -0.746 1
1 143 . 20 1 1 A 13 13 GLU H H 13 8.550 8.554 -0.004 1
1 144 . 20 1 1 A 13 13 GLU HA H 13 3.910 4.004 -0.094 1
1 149 . 20 1 1 A 13 13 GLU C C 13 179.500 178.671 0.829 1
1 150 . 20 1 1 A 13 13 GLU CA C 13 59.700 59.527 0.173 1
1 151 . 20 1 1 A 13 13 GLU CB C 13 29.100 29.119 -0.019 1
1 153 . 20 1 1 A 13 13 GLU N N 13 118.300 120.595 -2.295 1
1 154 . 20 1 1 A 14 14 SER H H 14 8.080 8.786 -0.706 1
1 155 . 20 1 1 A 14 14 SER HA H 14 4.260 4.154 0.106 1
1 158 . 20 1 1 A 14 14 SER C C 14 176.200 177.028 -0.828 1
1 159 . 20 1 1 A 14 14 SER CA C 14 61.700 61.626 0.074 1
1 160 . 20 1 1 A 14 14 SER CB C 14 62.800 62.459 0.341 1
1 161 . 20 1 1 A 14 14 SER N N 14 114.600 115.673 -1.073 1
1 162 . 20 1 1 A 15 15 LEU H H 15 7.110 7.737 -0.627 1
1 163 . 20 1 1 A 15 15 LEU HA H 15 3.690 4.022 -0.332 1
1 173 . 20 1 1 A 15 15 LEU C C 15 177.800 178.378 -0.578 1
1 174 . 20 1 1 A 15 15 LEU CA C 15 57.700 58.466 -0.766 1
1 175 . 20 1 1 A 15 15 LEU CB C 15 42.300 41.922 0.378 1
1 179 . 20 1 1 A 15 15 LEU N N 15 122.200 123.938 -1.738 1
1 180 . 20 1 1 A 16 16 ILE H H 16 8.030 8.205 -0.175 1
1 181 . 20 1 1 A 16 16 ILE HA H 16 3.220 3.741 -0.521 1
1 191 . 20 1 1 A 16 16 ILE C C 16 177.200 177.672 -0.472 1
1 192 . 20 1 1 A 16 16 ILE CA C 16 66.000 65.853 0.147 1
1 193 . 20 1 1 A 16 16 ILE CB C 16 39.100 37.780 1.320 1
1 197 . 20 1 1 A 16 16 ILE N N 16 117.900 119.585 -1.685 1
1 198 . 20 1 1 A 17 17 ALA H H 17 7.960 8.929 -0.969 1
1 199 . 20 1 1 A 17 17 ALA HA H 17 3.930 4.002 -0.072 1
1 203 . 20 1 1 A 17 17 ALA C C 17 180.600 180.065 0.535 1
1 204 . 20 1 1 A 17 17 ALA CA C 17 55.400 56.011 -0.611 1
1 205 . 20 1 1 A 17 17 ALA CB C 17 18.000 18.551 -0.551 1
1 206 . 20 1 1 A 17 17 ALA N N 17 118.300 122.038 -3.738 1
1 207 . 20 1 1 A 18 18 GLU H H 18 7.630 8.075 -0.445 1
1 208 . 20 1 1 A 18 18 GLU HA H 18 4.030 3.973 0.057 1
1 213 . 20 1 1 A 18 18 GLU C C 18 179.400 179.560 -0.160 1
1 214 . 20 1 1 A 18 18 GLU CA C 18 59.800 59.439 0.361 1
1 215 . 20 1 1 A 18 18 GLU CB C 18 30.300 29.593 0.707 1
1 217 . 20 1 1 A 18 18 GLU N N 18 116.300 117.836 -1.536 1
1 218 . 20 1 1 A 19 19 ILE H H 19 8.110 7.721 0.389 1
1 219 . 20 1 1 A 19 19 ILE HA H 19 3.590 3.581 0.009 1
1 229 . 20 1 1 A 19 19 ILE C C 19 177.800 178.525 -0.725 1
1 230 . 20 1 1 A 19 19 ILE CA C 19 66.500 65.873 0.627 1
1 231 . 20 1 1 A 19 19 ILE CB C 19 37.500 37.978 -0.478 1
1 235 . 20 1 1 A 19 19 ILE N N 19 121.100 120.744 0.356 1
1 236 . 20 1 1 A 20 20 LEU H H 20 8.480 8.135 0.345 1
1 237 . 20 1 1 A 20 20 LEU HA H 20 4.020 4.051 -0.031 1
1 247 . 20 1 1 A 20 20 LEU C C 20 180.500 178.898 1.602 1
1 248 . 20 1 1 A 20 20 LEU CA C 20 58.600 58.031 0.569 1
1 249 . 20 1 1 A 20 20 LEU CB C 20 40.400 41.844 -1.444 1
1 253 . 20 1 1 A 20 20 LEU N N 20 118.300 118.663 -0.363 1
1 254 . 20 1 1 A 21 21 VAL H H 21 7.810 8.395 -0.585 1
1 255 . 20 1 1 A 21 21 VAL HA H 21 3.770 3.540 0.230 1
1 263 . 20 1 1 A 21 21 VAL C C 21 178.200 178.522 -0.322 1
1 264 . 20 1 1 A 21 21 VAL CA C 21 66.800 66.731 0.069 1
1 265 . 20 1 1 A 21 21 VAL CB C 21 31.600 31.666 -0.066 1
1 268 . 20 1 1 A 21 21 VAL N N 21 119.700 118.714 0.986 1
1 269 . 20 1 1 A 22 22 VAL H H 22 7.530 8.462 -0.932 1
1 270 . 20 1 1 A 22 22 VAL HA H 22 3.610 3.591 0.019 1
1 278 . 20 1 1 A 22 22 VAL C C 22 178.500 177.902 0.598 1
1 279 . 20 1 1 A 22 22 VAL CA C 22 67.300 66.962 0.338 1
1 280 . 20 1 1 A 22 22 VAL CB C 22 31.500 31.453 0.047 1
1 283 . 20 1 1 A 22 22 VAL N N 22 121.400 120.685 0.715 1
1 284 . 20 1 1 A 23 23 LEU H H 23 7.610 8.102 -0.492 1
1 285 . 20 1 1 A 23 23 LEU HA H 23 3.880 3.902 -0.022 1
1 295 . 20 1 1 A 23 23 LEU C C 23 179.700 179.471 0.229 1
1 296 . 20 1 1 A 23 23 LEU CA C 23 58.400 58.180 0.220 1
1 297 . 20 1 1 A 23 23 LEU CB C 23 40.900 41.298 -0.398 1
1 301 . 20 1 1 A 23 23 LEU N N 23 116.800 119.822 -3.022 1
1 302 . 20 1 1 A 24 24 GLU H H 24 8.160 8.559 -0.399 1
1 303 . 20 1 1 A 24 24 GLU HA H 24 4.170 4.140 0.030 1
1 308 . 20 1 1 A 24 24 GLU C C 24 180.900 179.404 1.496 1
1 309 . 20 1 1 A 24 24 GLU CA C 24 59.000 58.447 0.553 1
1 310 . 20 1 1 A 24 24 GLU CB C 24 29.700 28.482 1.218 1
1 312 . 20 1 1 A 24 24 GLU N N 24 119.200 118.056 1.144 1
1 313 . 20 1 1 A 25 25 LYS H H 25 8.980 8.006 0.974 1
1 314 . 20 1 1 A 25 25 LYS HA H 25 4.050 4.087 -0.037 1
1 323 . 20 1 1 A 25 25 LYS C C 25 178.600 178.135 0.465 1
1 324 . 20 1 1 A 25 25 LYS CA C 25 59.300 58.801 0.499 1
1 325 . 20 1 1 A 25 25 LYS CB C 25 32.100 32.185 -0.085 1
1 329 . 20 1 1 A 25 25 LYS N N 25 122.900 121.032 1.868 1
1 330 . 20 1 1 A 26 26 HIS H H 26 7.400 7.727 -0.327 1
1 331 . 20 1 1 A 26 26 HIS HA H 26 4.460 4.606 -0.146 1
1 336 . 20 1 1 A 26 26 HIS C C 26 173.600 174.475 -0.875 1
1 337 . 20 1 1 A 26 26 HIS CA C 26 56.500 55.553 0.947 1
1 338 . 20 1 1 A 26 26 HIS CB C 26 29.200 30.193 -0.993 1
1 341 . 20 1 1 A 26 26 HIS N N 26 113.800 113.646 0.154 1
1 342 . 20 1 1 A 27 27 LYS H H 27 8.200 8.059 0.141 1
1 343 . 20 1 1 A 27 27 LYS HA H 27 3.950 3.891 0.059 1
1 352 . 20 1 1 A 27 27 LYS C C 27 176.500 175.189 1.311 1
1 353 . 20 1 1 A 27 27 LYS CA C 27 56.600 57.177 -0.577 1
1 354 . 20 1 1 A 27 27 LYS CB C 27 29.600 30.983 -1.383 1
1 358 . 20 1 1 A 27 27 LYS N N 27 119.500 119.129 0.371 1
1 359 . 20 1 1 A 28 28 ALA H H 28 7.760 7.900 -0.140 1
1 360 . 20 1 1 A 28 28 ALA HA H 28 4.490 4.580 -0.090 1
1 364 . 20 1 1 A 28 28 ALA CA C 28 51.000 49.709 1.291 1
1 365 . 20 1 1 A 28 28 ALA CB C 28 19.200 20.037 -0.837 1
1 366 . 20 1 1 A 28 28 ALA N N 28 121.500 120.186 1.314 1
1 367 . 20 1 1 A 29 29 PRO HA H 29 4.720 4.579 0.141 1
1 374 . 20 1 1 A 29 29 PRO C C 29 177.400 177.049 0.351 1
1 375 . 20 1 1 A 29 29 PRO CA C 29 62.100 62.558 -0.458 1
1 376 . 20 1 1 A 29 29 PRO CB C 29 33.000 33.488 -0.488 1
1 379 . 20 1 1 A 30 30 THR H H 30 8.830 8.439 0.391 1
1 380 . 20 1 1 A 30 30 THR HA H 30 3.680 4.147 -0.467 1
1 385 . 20 1 1 A 30 30 THR C C 30 175.200 175.845 -0.645 1
1 386 . 20 1 1 A 30 30 THR CA C 30 67.400 65.508 1.892 1
1 387 . 20 1 1 A 30 30 THR CB C 30 68.500 68.384 0.116 1
1 389 . 20 1 1 A 30 30 THR N N 30 120.400 116.375 4.025 1
1 390 . 20 1 1 A 31 31 ASP H H 31 8.880 8.096 0.784 1
1 391 . 20 1 1 A 31 31 ASP HA H 31 4.220 4.434 -0.214 1
1 394 . 20 1 1 A 31 31 ASP C C 31 179.000 178.551 0.449 1
1 395 . 20 1 1 A 31 31 ASP CA C 31 57.400 57.171 0.229 1
1 396 . 20 1 1 A 31 31 ASP CB C 31 38.700 40.722 -2.022 1
1 397 . 20 1 1 A 31 31 ASP N N 31 118.600 121.334 -2.734 1
1 398 . 20 1 1 A 32 32 LEU H H 32 7.540 7.782 -0.242 1
1 399 . 20 1 1 A 32 32 LEU HA H 32 3.970 4.103 -0.133 1
1 409 . 20 1 1 A 32 32 LEU C C 32 178.100 178.383 -0.283 1
1 410 . 20 1 1 A 32 32 LEU CA C 32 57.500 57.371 0.129 1
1 411 . 20 1 1 A 32 32 LEU CB C 32 40.600 41.859 -1.259 1
1 415 . 20 1 1 A 32 32 LEU N N 32 124.300 121.332 2.968 1
1 416 . 20 1 1 A 33 33 SER H H 33 8.420 8.515 -0.095 1
1 417 . 20 1 1 A 33 33 SER HA H 33 3.860 4.171 -0.311 1
1 420 . 20 1 1 A 33 33 SER C C 33 175.900 177.462 -1.562 1
1 421 . 20 1 1 A 33 33 SER CA C 33 63.100 61.547 1.553 1
1 422 . 20 1 1 A 33 33 SER CB C 33 62.900 62.448 0.452 1
1 423 . 20 1 1 A 33 33 SER N N 33 116.000 115.420 0.580 1
1 424 . 20 1 1 A 34 34 LEU H H 34 8.400 8.110 0.290 1
1 425 . 20 1 1 A 34 34 LEU HA H 34 4.010 4.003 0.007 1
1 435 . 20 1 1 A 34 34 LEU C C 34 179.500 178.771 0.729 1
1 436 . 20 1 1 A 34 34 LEU CA C 34 58.700 57.925 0.775 1
1 437 . 20 1 1 A 34 34 LEU CB C 34 41.500 41.387 0.113 1
1 441 . 20 1 1 A 34 34 LEU N N 34 120.400 122.926 -2.526 1
1 442 . 20 1 1 A 35 35 MET H H 35 7.970 8.255 -0.285 1
1 443 . 20 1 1 A 35 35 MET HA H 35 4.210 4.246 -0.036 1
1 451 . 20 1 1 A 35 35 MET C C 35 178.900 177.959 0.941 1
1 452 . 20 1 1 A 35 35 MET CA C 35 59.100 58.474 0.626 1
1 453 . 20 1 1 A 35 35 MET CB C 35 33.100 32.315 0.785 1
1 456 . 20 1 1 A 35 35 MET N N 35 120.300 118.803 1.497 1
1 457 . 20 1 1 A 36 36 ALA H H 36 8.710 8.289 0.421 1
1 458 . 20 1 1 A 36 36 ALA HA H 36 3.900 4.028 -0.128 1
1 462 . 20 1 1 A 36 36 ALA C C 36 179.700 179.794 -0.094 1
1 463 . 20 1 1 A 36 36 ALA CA C 36 55.400 55.196 0.204 1
1 464 . 20 1 1 A 36 36 ALA CB C 36 18.600 18.614 -0.014 1
1 465 . 20 1 1 A 36 36 ALA N N 36 121.700 121.399 0.301 1
1 466 . 20 1 1 A 37 37 LEU H H 37 8.750 8.297 0.453 1
1 467 . 20 1 1 A 37 37 LEU HA H 37 3.980 3.940 0.040 1
1 477 . 20 1 1 A 37 37 LEU C C 37 179.600 179.162 0.438 1
1 478 . 20 1 1 A 37 37 LEU CA C 37 59.000 58.041 0.959 1
1 479 . 20 1 1 A 37 37 LEU CB C 37 42.000 41.852 0.148 1
1 483 . 20 1 1 A 37 37 LEU N N 37 118.100 118.228 -0.128 1
1 484 . 20 1 1 A 38 38 GLY H H 38 8.780 8.447 0.333 1
1 485 . 20 1 1 A 38 38 GLY HA2 H 38 3.650 3.739 -0.089 1
1 486 . 20 1 1 A 38 38 GLY HA3 H 38 3.940 3.743 0.197 1
1 487 . 20 1 1 A 38 38 GLY C C 38 175.600 175.801 -0.201 1
1 488 . 20 1 1 A 38 38 GLY CA C 38 48.300 47.556 0.744 1
1 489 . 20 1 1 A 38 38 GLY N N 38 105.600 105.699 -0.099 1
1 490 . 20 1 1 A 39 39 ASN H H 39 8.180 7.741 0.439 1
1 491 . 20 1 1 A 39 39 ASN HA H 39 4.550 4.496 0.054 1
1 496 . 20 1 1 A 39 39 ASN C C 39 178.400 177.979 0.421 1
1 497 . 20 1 1 A 39 39 ASN CA C 39 56.000 55.896 0.104 1
1 498 . 20 1 1 A 39 39 ASN CB C 39 39.200 38.206 0.994 1
1 500 . 20 1 1 A 39 39 ASN N N 39 120.000 119.623 0.377 1
1 502 . 20 1 1 A 40 40 CYS H H 40 8.420 7.874 0.546 1
1 503 . 20 1 1 A 40 40 CYS HA H 40 4.010 4.228 -0.218 1
1 506 . 20 1 1 A 40 40 CYS C C 40 176.000 177.218 -1.218 1
1 507 . 20 1 1 A 40 40 CYS CA C 40 65.300 63.208 2.092 1
1 508 . 20 1 1 A 40 40 CYS CB C 40 27.200 26.717 0.483 1
1 509 . 20 1 1 A 40 40 CYS N N 40 120.200 118.381 1.819 1
1 510 . 20 1 1 A 41 41 VAL H H 41 7.830 7.542 0.288 1
1 511 . 20 1 1 A 41 41 VAL HA H 41 3.250 3.536 -0.286 1
1 519 . 20 1 1 A 41 41 VAL C C 41 177.500 178.065 -0.565 1
1 520 . 20 1 1 A 41 41 VAL CA C 41 67.500 66.642 0.858 1
1 521 . 20 1 1 A 41 41 VAL CB C 41 30.800 31.430 -0.630 1
1 524 . 20 1 1 A 41 41 VAL N N 41 119.400 122.505 -3.105 1
1 525 . 20 1 1 A 42 42 THR H H 42 8.270 7.710 0.560 1
1 526 . 20 1 1 A 42 42 THR HA H 42 3.520 4.007 -0.487 1
1 531 . 20 1 1 A 42 42 THR C C 42 176.200 176.665 -0.465 1
1 532 . 20 1 1 A 42 42 THR CA C 42 67.800 65.951 1.849 1
1 533 . 20 1 1 A 42 42 THR CB C 42 67.800 68.278 -0.478 1
1 535 . 20 1 1 A 42 42 THR N N 42 113.600 111.571 2.029 1
1 536 . 20 1 1 A 43 43 HIS H H 43 8.250 7.890 0.360 1
1 537 . 20 1 1 A 43 43 HIS HA H 43 4.310 4.159 0.151 1
1 542 . 20 1 1 A 43 43 HIS C C 43 177.200 176.616 0.584 1
1 543 . 20 1 1 A 43 43 HIS CA C 43 59.300 59.781 -0.481 1
1 544 . 20 1 1 A 43 43 HIS CB C 43 28.900 29.391 -0.491 1
1 547 . 20 1 1 A 43 43 HIS N N 43 120.000 122.993 -2.993 1
1 550 . 20 1 1 A 44 44 LEU H H 44 8.070 7.473 0.597 1
1 551 . 20 1 1 A 44 44 LEU HA H 44 3.960 3.726 0.234 1
1 561 . 20 1 1 A 44 44 LEU C C 44 179.300 179.188 0.112 1
1 562 . 20 1 1 A 44 44 LEU CA C 44 58.400 57.143 1.257 1
1 563 . 20 1 1 A 44 44 LEU CB C 44 42.200 41.468 0.732 1
1 567 . 20 1 1 A 44 44 LEU N N 44 119.400 118.809 0.591 1
1 568 . 20 1 1 A 45 45 LEU H H 45 8.410 7.965 0.445 1
1 569 . 20 1 1 A 45 45 LEU HA H 45 3.850 3.873 -0.023 1
1 579 . 20 1 1 A 45 45 LEU C C 45 178.700 177.994 0.706 1
1 580 . 20 1 1 A 45 45 LEU CA C 45 58.200 58.036 0.164 1
1 581 . 20 1 1 A 45 45 LEU CB C 45 41.800 41.217 0.583 1
1 585 . 20 1 1 A 45 45 LEU N N 45 118.100 119.349 -1.249 1
1 586 . 20 1 1 A 46 46 GLU H H 46 8.120 8.253 -0.133 1
1 587 . 20 1 1 A 46 46 GLU HA H 46 3.740 4.204 -0.464 1
1 592 . 20 1 1 A 46 46 GLU C C 46 178.000 177.711 0.289 1
1 593 . 20 1 1 A 46 46 GLU CA C 46 58.900 57.971 0.929 1
1 594 . 20 1 1 A 46 46 GLU CB C 46 29.700 29.377 0.323 1
1 596 . 20 1 1 A 46 46 GLU N N 46 115.000 115.825 -0.825 1
1 597 . 20 1 1 A 47 47 ARG H H 47 7.740 7.793 -0.053 1
1 598 . 20 1 1 A 47 47 ARG HA H 47 4.270 4.168 0.102 1
1 606 . 20 1 1 A 47 47 ARG C C 47 178.500 178.028 0.472 1
1 607 . 20 1 1 A 47 47 ARG CA C 47 57.000 58.049 -1.049 1
1 608 . 20 1 1 A 47 47 ARG CB C 47 31.600 30.786 0.814 1
1 611 . 20 1 1 A 47 47 ARG N N 47 114.000 120.819 -6.819 1
1 613 . 20 1 1 A 48 48 LYS H H 48 8.210 7.762 0.448 1
1 614 . 20 1 1 A 48 48 LYS HA H 48 4.620 4.520 0.100 1
1 623 . 20 1 1 A 48 48 LYS C C 48 176.400 176.538 -0.138 1
1 624 . 20 1 1 A 48 48 LYS CA C 48 55.500 57.264 -1.764 1
1 625 . 20 1 1 A 48 48 LYS CB C 48 34.500 34.657 -0.157 1
1 629 . 20 1 1 A 48 48 LYS N N 48 114.000 118.279 -4.279 1
1 630 . 20 1 1 A 49 49 VAL H H 49 7.630 7.189 0.441 1
1 631 . 20 1 1 A 49 49 VAL HA H 49 4.710 4.187 0.523 1
1 639 . 20 1 1 A 49 49 VAL CA C 49 59.400 59.247 0.153 1
1 640 . 20 1 1 A 49 49 VAL CB C 49 33.600 32.037 1.563 1
1 643 . 20 1 1 A 49 49 VAL N N 49 121.800 120.815 0.985 1
1 644 . 20 1 1 A 50 50 PRO HA H 50 4.460 4.568 -0.108 1
1 651 . 20 1 1 A 50 50 PRO C C 50 177.900 177.709 0.191 1
1 652 . 20 1 1 A 50 50 PRO CA C 50 63.200 62.689 0.511 1
1 653 . 20 1 1 A 50 50 PRO CB C 50 32.900 32.912 -0.012 1
1 656 . 20 1 1 A 51 51 SER H H 51 8.950 8.730 0.220 1
1 657 . 20 1 1 A 51 51 SER HA H 51 3.910 4.176 -0.266 1
1 660 . 20 1 1 A 51 51 SER C C 51 176.300 176.625 -0.325 1
1 661 . 20 1 1 A 51 51 SER CA C 51 62.800 61.523 1.277 1
1 662 . 20 1 1 A 51 51 SER CB C 51 62.700 62.909 -0.209 1
1 663 . 20 1 1 A 51 51 SER N N 51 119.000 118.897 0.103 1
1 664 . 20 1 1 A 52 52 GLU H H 52 9.480 8.253 1.227 1
1 665 . 20 1 1 A 52 52 GLU HA H 52 4.220 4.055 0.165 1
1 670 . 20 1 1 A 52 52 GLU C C 52 177.000 178.713 -1.713 1
1 671 . 20 1 1 A 52 52 GLU CA C 52 59.200 59.275 -0.075 1
1 672 . 20 1 1 A 52 52 GLU CB C 52 28.700 29.327 -0.627 1
1 674 . 20 1 1 A 52 52 GLU N N 52 118.900 122.388 -3.488 1
1 675 . 20 1 1 A 53 53 SER H H 53 7.770 8.174 -0.404 1
1 676 . 20 1 1 A 53 53 SER HA H 53 4.940 4.327 0.613 1
1 679 . 20 1 1 A 53 53 SER C C 53 174.200 176.549 -2.349 1
1 680 . 20 1 1 A 53 53 SER CA C 53 58.200 61.087 -2.887 1
1 681 . 20 1 1 A 53 53 SER CB C 53 64.800 63.220 1.580 1
1 682 . 20 1 1 A 53 53 SER N N 53 112.500 117.671 -5.171 1
1 683 . 20 1 1 A 54 54 ARG H H 54 7.380 8.194 -0.814 1
1 684 . 20 1 1 A 54 54 ARG HA H 54 3.630 3.908 -0.278 1
1 696 . 20 1 1 A 54 54 ARG C C 54 177.200 178.630 -1.430 1
1 697 . 20 1 1 A 54 54 ARG CA C 54 61.400 59.908 1.492 1
1 698 . 20 1 1 A 54 54 ARG CB C 54 31.200 29.640 1.560 1
1 701 . 20 1 1 A 54 54 ARG N N 54 122.100 122.079 0.021 1
1 703 . 20 1 1 A 55 55 GLN H H 55 9.010 7.617 1.393 1
1 704 . 20 1 1 A 55 55 GLN HA H 55 3.840 4.045 -0.205 1
1 711 . 20 1 1 A 55 55 GLN C C 55 178.000 178.354 -0.354 1
1 712 . 20 1 1 A 55 55 GLN CA C 55 59.700 58.778 0.922 1
1 713 . 20 1 1 A 55 55 GLN CB C 55 28.100 28.197 -0.097 1
1 716 . 20 1 1 A 55 55 GLN N N 55 118.000 118.428 -0.428 1
1 718 . 20 1 1 A 56 56 ALA H H 56 8.280 8.035 0.245 1
1 719 . 20 1 1 A 56 56 ALA HA H 56 4.190 4.060 0.130 1
1 723 . 20 1 1 A 56 56 ALA C C 56 181.200 179.739 1.461 1
1 724 . 20 1 1 A 56 56 ALA CA C 56 55.200 55.179 0.021 1
1 725 . 20 1 1 A 56 56 ALA CB C 56 17.900 18.440 -0.540 1
1 726 . 20 1 1 A 56 56 ALA N N 56 122.300 123.602 -1.302 1
1 727 . 20 1 1 A 57 57 VAL H H 57 8.150 8.447 -0.297 1
1 728 . 20 1 1 A 57 57 VAL HA H 57 3.740 3.540 0.200 1
1 736 . 20 1 1 A 57 57 VAL C C 57 178.900 178.200 0.700 1
1 737 . 20 1 1 A 57 57 VAL CA C 57 66.700 66.598 0.102 1
1 738 . 20 1 1 A 57 57 VAL CB C 57 31.700 31.456 0.244 1
1 741 . 20 1 1 A 57 57 VAL N N 57 119.600 118.451 1.149 1
1 742 . 20 1 1 A 58 58 ALA H H 58 8.370 7.792 0.578 1
1 743 . 20 1 1 A 58 58 ALA HA H 58 3.910 3.941 -0.031 1
1 747 . 20 1 1 A 58 58 ALA C C 58 179.500 180.047 -0.547 1
1 748 . 20 1 1 A 58 58 ALA CA C 58 55.800 55.650 0.150 1
1 749 . 20 1 1 A 58 58 ALA CB C 58 18.500 18.180 0.320 1
1 750 . 20 1 1 A 58 58 ALA N N 58 123.000 122.063 0.937 1
1 751 . 20 1 1 A 59 59 GLU H H 59 8.630 7.941 0.689 1
1 752 . 20 1 1 A 59 59 GLU HA H 59 4.100 4.020 0.080 1
1 757 . 20 1 1 A 59 59 GLU C C 59 179.400 179.419 -0.019 1
1 758 . 20 1 1 A 59 59 GLU CA C 59 59.600 59.753 -0.153 1
1 759 . 20 1 1 A 59 59 GLU CB C 59 29.300 29.612 -0.312 1
1 761 . 20 1 1 A 59 59 GLU N N 59 118.400 117.946 0.454 1
1 762 . 20 1 1 A 60 60 GLN H H 60 8.280 7.875 0.405 1
1 763 . 20 1 1 A 60 60 GLN HA H 60 4.090 4.111 -0.021 1
1 770 . 20 1 1 A 60 60 GLN C C 60 178.700 178.203 0.497 1
1 771 . 20 1 1 A 60 60 GLN CA C 60 59.100 58.549 0.551 1
1 772 . 20 1 1 A 60 60 GLN CB C 60 28.100 28.884 -0.784 1
1 775 . 20 1 1 A 60 60 GLN N N 60 120.400 118.889 1.511 1
1 777 . 20 1 1 A 61 61 PHE H H 61 8.400 8.668 -0.268 1
1 778 . 20 1 1 A 61 61 PHE HA H 61 4.160 4.335 -0.175 1
1 786 . 20 1 1 A 61 61 PHE C C 61 177.600 177.774 -0.174 1
1 787 . 20 1 1 A 61 61 PHE CA C 61 61.400 61.815 -0.415 1
1 788 . 20 1 1 A 61 61 PHE CB C 61 39.100 39.361 -0.261 1
1 794 . 20 1 1 A 61 61 PHE N N 61 122.000 122.193 -0.193 1
1 795 . 20 1 1 A 62 62 ALA H H 62 8.620 8.372 0.248 1
1 796 . 20 1 1 A 62 62 ALA HA H 62 3.980 4.108 -0.128 1
1 800 . 20 1 1 A 62 62 ALA C C 62 179.700 180.004 -0.304 1
1 801 . 20 1 1 A 62 62 ALA CA C 62 55.500 55.511 -0.011 1
1 802 . 20 1 1 A 62 62 ALA CB C 62 18.900 18.147 0.753 1
1 803 . 20 1 1 A 62 62 ALA N N 62 122.000 121.855 0.145 1
1 804 . 20 1 1 A 63 63 LYS H H 63 8.470 7.756 0.714 1
1 805 . 20 1 1 A 63 63 LYS HA H 63 4.050 3.993 0.057 1
1 814 . 20 1 1 A 63 63 LYS C C 63 179.200 178.514 0.686 1
1 815 . 20 1 1 A 63 63 LYS CA C 63 59.600 59.108 0.492 1
1 816 . 20 1 1 A 63 63 LYS CB C 63 32.600 32.359 0.241 1
1 820 . 20 1 1 A 63 63 LYS N N 63 119.500 118.821 0.679 1
1 821 . 20 1 1 A 64 64 ALA H H 64 8.000 7.812 0.188 1
1 822 . 20 1 1 A 64 64 ALA HA H 64 4.100 4.019 0.081 1
1 826 . 20 1 1 A 64 64 ALA C C 64 180.700 180.012 0.688 1
1 827 . 20 1 1 A 64 64 ALA CA C 64 55.000 54.904 0.096 1
1 828 . 20 1 1 A 64 64 ALA CB C 64 17.700 18.149 -0.449 1
1 829 . 20 1 1 A 64 64 ALA N N 64 122.000 121.482 0.518 1
1 830 . 20 1 1 A 65 65 LEU H H 65 7.830 7.701 0.129 1
1 831 . 20 1 1 A 65 65 LEU HA H 65 3.950 3.808 0.142 1
1 841 . 20 1 1 A 65 65 LEU C C 65 178.900 178.696 0.204 1
1 842 . 20 1 1 A 65 65 LEU CA C 65 57.800 57.847 -0.047 1
1 843 . 20 1 1 A 65 65 LEU CB C 65 41.700 41.664 0.036 1
1 847 . 20 1 1 A 65 65 LEU N N 65 120.600 118.809 1.791 1
1 848 . 20 1 1 A 66 66 ALA H H 66 7.990 8.394 -0.404 1
1 849 . 20 1 1 A 66 66 ALA HA H 66 3.840 3.947 -0.107 1
1 853 . 20 1 1 A 66 66 ALA C C 66 180.300 179.189 1.111 1
1 854 . 20 1 1 A 66 66 ALA CA C 66 55.500 55.133 0.367 1
1 855 . 20 1 1 A 66 66 ALA CB C 66 17.900 18.170 -0.270 1
1 856 . 20 1 1 A 66 66 ALA N N 66 120.900 121.444 -0.544 1
1 857 . 20 1 1 A 67 67 GLN H H 67 8.140 8.096 0.044 1
1 858 . 20 1 1 A 67 67 GLN HA H 67 4.070 4.025 0.045 1
1 865 . 20 1 1 A 67 67 GLN C C 67 178.400 178.298 0.102 1
1 866 . 20 1 1 A 67 67 GLN CA C 67 58.300 58.422 -0.122 1
1 867 . 20 1 1 A 67 67 GLN CB C 67 28.400 28.817 -0.417 1
1 870 . 20 1 1 A 67 67 GLN N N 67 116.600 118.483 -1.883 1
1 872 . 20 1 1 A 68 68 SER H H 68 8.120 7.478 0.642 1
1 873 . 20 1 1 A 68 68 SER HA H 68 4.220 4.244 -0.024 1
1 876 . 20 1 1 A 68 68 SER C C 68 176.500 177.381 -0.881 1
1 877 . 20 1 1 A 68 68 SER CA C 68 61.500 61.364 0.136 1
1 878 . 20 1 1 A 68 68 SER CB C 68 63.000 62.919 0.081 1
1 879 . 20 1 1 A 68 68 SER N N 68 116.700 114.835 1.865 1
1 880 . 20 1 1 A 69 69 VAL H H 69 7.660 8.527 -0.867 1
1 881 . 20 1 1 A 69 69 VAL HA H 69 3.860 3.546 0.314 1
1 889 . 20 1 1 A 69 69 VAL C C 69 177.400 177.989 -0.589 1
1 890 . 20 1 1 A 69 69 VAL CA C 69 64.900 67.364 -2.464 1
1 891 . 20 1 1 A 69 69 VAL CB C 69 31.900 31.558 0.342 1
1 894 . 20 1 1 A 69 69 VAL N N 69 119.800 121.280 -1.480 1
1 895 . 20 1 1 A 70 70 LYS H H 70 7.860 8.373 -0.513 1
1 896 . 20 1 1 A 70 70 LYS HA H 70 4.040 4.007 0.033 1
1 905 . 20 1 1 A 70 70 LYS C C 70 178.400 179.010 -0.610 1
1 906 . 20 1 1 A 70 70 LYS CA C 70 59.200 59.230 -0.030 1
1 907 . 20 1 1 A 70 70 LYS CB C 70 32.800 32.191 0.609 1
1 911 . 20 1 1 A 70 70 LYS N N 70 121.300 121.165 0.135 1
1 912 . 20 1 1 A 71 71 SER H H 71 8.390 7.684 0.706 1
1 913 . 20 1 1 A 71 71 SER HA H 71 4.280 4.272 0.008 1
1 916 . 20 1 1 A 71 71 SER C C 71 176.000 176.155 -0.155 1
1 917 . 20 1 1 A 71 71 SER CA C 71 60.700 61.434 -0.734 1
1 918 . 20 1 1 A 71 71 SER CB C 71 63.300 63.125 0.175 1
1 919 . 20 1 1 A 71 71 SER N N 71 114.400 116.818 -2.418 1
1 920 . 20 1 1 A 72 72 ASN H H 72 7.940 7.857 0.083 1
1 921 . 20 1 1 A 72 72 ASN HA H 72 4.630 4.618 0.012 1
1 926 . 20 1 1 A 72 72 ASN C C 72 176.700 176.777 -0.077 1
1 927 . 20 1 1 A 72 72 ASN CA C 72 55.000 56.184 -1.184 1
1 928 . 20 1 1 A 72 72 ASN CB C 72 39.000 38.597 0.403 1
1 930 . 20 1 1 A 72 72 ASN N N 72 119.700 120.409 -0.709 1
1 932 . 20 1 1 A 73 73 LEU H H 73 7.900 7.376 0.524 1
1 933 . 20 1 1 A 73 73 LEU HA H 73 4.180 4.193 -0.013 1
1 943 . 20 1 1 A 73 73 LEU C C 73 178.400 177.973 0.427 1
1 944 . 20 1 1 A 73 73 LEU CA C 73 56.700 56.746 -0.046 1
1 945 . 20 1 1 A 73 73 LEU CB C 73 42.300 43.286 -0.986 1
1 949 . 20 1 1 A 73 73 LEU N N 73 121.000 118.047 2.953 1
1 950 . 20 1 1 A 74 74 GLU H H 74 8.060 8.261 -0.201 1
1 951 . 20 1 1 A 74 74 GLU HA H 74 4.120 4.473 -0.353 1
1 956 . 20 1 1 A 74 74 GLU C C 74 177.100 176.477 0.623 1
1 957 . 20 1 1 A 74 74 GLU CA C 74 57.400 55.636 1.764 1
1 958 . 20 1 1 A 74 74 GLU CB C 74 29.900 28.405 1.495 1
1 960 . 20 1 1 A 74 74 GLU N N 74 119.300 115.981 3.319 1
1 961 . 20 1 1 A 75 75 HIS H H 75 8.140 8.184 -0.044 1
1 962 . 20 1 1 A 75 75 HIS HA H 75 4.590 4.470 0.120 1
1 966 . 20 1 1 A 75 75 HIS C C 75 174.900 175.023 -0.123 1
1 967 . 20 1 1 A 75 75 HIS CA C 75 56.100 57.239 -1.139 1
1 968 . 20 1 1 A 75 75 HIS CB C 75 29.000 30.253 -1.253 1
1 970 . 20 1 1 A 75 75 HIS N N 75 117.500 119.293 -1.793 1
1 971 . 20 1 1 A 76 76 HIS H H 76 8.240 7.447 0.793 1
1 972 . 20 1 1 A 76 76 HIS C C 76 174.500 174.134 0.366 1
1 973 . 20 1 1 A 76 76 HIS CA C 76 55.900 54.181 1.719 1
1 974 . 20 1 1 A 76 76 HIS CB C 76 29.300 30.316 -1.016 1
1 975 . 20 1 1 A 76 76 HIS N N 76 118.300 116.672 1.628 1
1 976 . 20 1 1 A 77 77 HIS H H 77 8.400 8.785 -0.385 1
1 977 . 20 1 1 A 77 77 HIS HA H 77 4.640 4.823 -0.183 1
1 980 . 20 1 1 A 77 77 HIS C C 77 173.700 176.168 -2.468 1
1 981 . 20 1 1 A 77 77 HIS CA C 77 55.700 57.274 -1.574 1
1 982 . 20 1 1 A 77 77 HIS CB C 77 29.700 31.160 -1.460 1
1 983 . 20 1 1 A 77 77 HIS N N 77 119.300 121.622 -2.322 1
1 984 . 20 1 1 A 78 78 HIS H H 78 8.330 8.426 -0.096 1
1 985 . 20 1 1 A 78 78 HIS CA C 78 57.200 58.426 -1.226 1
1 986 . 20 1 1 A 78 78 HIS CB C 78 29.900 29.493 0.407 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 74 0.834 1
2 1 1 1 "RMS(OBS, PRED)" CA 77 1.036 1
3 1 1 1 "RMS(OBS, PRED)" CB 76 0.806 1
4 1 1 1 "RMS(OBS, PRED)" H 74 0.470 1
5 1 1 1 "RMS(OBS, PRED)" HA 76 0.246 1
6 1 1 1 "RMS(OBS, PRED)" N 73 2.190 1
7 1 2 1 "RMS(OBS, PRED)" C 74 0.969 1
8 1 2 1 "RMS(OBS, PRED)" CA 77 1.080 1
9 1 2 1 "RMS(OBS, PRED)" CB 76 0.978 1
10 1 2 1 "RMS(OBS, PRED)" H 74 0.471 1
11 1 2 1 "RMS(OBS, PRED)" HA 76 0.234 1
12 1 2 1 "RMS(OBS, PRED)" N 73 2.611 1
13 1 3 1 "RMS(OBS, PRED)" C 74 0.914 1
14 1 3 1 "RMS(OBS, PRED)" CA 77 1.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 76 0.882 1
16 1 3 1 "RMS(OBS, PRED)" H 74 0.446 1
17 1 3 1 "RMS(OBS, PRED)" HA 76 0.246 1
18 1 3 1 "RMS(OBS, PRED)" N 73 2.284 1
19 1 4 1 "RMS(OBS, PRED)" C 74 0.956 1
20 1 4 1 "RMS(OBS, PRED)" CA 77 0.994 1
21 1 4 1 "RMS(OBS, PRED)" CB 76 0.916 1
22 1 4 1 "RMS(OBS, PRED)" H 74 0.450 1
23 1 4 1 "RMS(OBS, PRED)" HA 76 0.204 1
24 1 4 1 "RMS(OBS, PRED)" N 73 2.102 1
25 1 5 1 "RMS(OBS, PRED)" C 74 0.952 1
26 1 5 1 "RMS(OBS, PRED)" CA 77 1.128 1
27 1 5 1 "RMS(OBS, PRED)" CB 76 1.050 1
28 1 5 1 "RMS(OBS, PRED)" H 74 0.385 1
29 1 5 1 "RMS(OBS, PRED)" HA 76 0.218 1
30 1 5 1 "RMS(OBS, PRED)" N 73 2.210 1
31 1 6 1 "RMS(OBS, PRED)" C 74 0.853 1
32 1 6 1 "RMS(OBS, PRED)" CA 77 0.957 1
33 1 6 1 "RMS(OBS, PRED)" CB 76 0.856 1
34 1 6 1 "RMS(OBS, PRED)" H 74 0.428 1
35 1 6 1 "RMS(OBS, PRED)" HA 76 0.196 1
36 1 6 1 "RMS(OBS, PRED)" N 73 2.167 1
37 1 7 1 "RMS(OBS, PRED)" C 74 0.875 1
38 1 7 1 "RMS(OBS, PRED)" CA 77 0.950 1
39 1 7 1 "RMS(OBS, PRED)" CB 76 0.928 1
40 1 7 1 "RMS(OBS, PRED)" H 74 0.448 1
41 1 7 1 "RMS(OBS, PRED)" HA 76 0.218 1
42 1 7 1 "RMS(OBS, PRED)" N 73 2.532 1
43 1 8 1 "RMS(OBS, PRED)" C 74 0.873 1
44 1 8 1 "RMS(OBS, PRED)" CA 77 1.012 1
45 1 8 1 "RMS(OBS, PRED)" CB 76 0.960 1
46 1 8 1 "RMS(OBS, PRED)" H 74 0.446 1
47 1 8 1 "RMS(OBS, PRED)" HA 76 0.238 1
48 1 8 1 "RMS(OBS, PRED)" N 73 2.377 1
49 1 9 1 "RMS(OBS, PRED)" C 74 0.929 1
50 1 9 1 "RMS(OBS, PRED)" CA 77 1.028 1
51 1 9 1 "RMS(OBS, PRED)" CB 76 0.935 1
52 1 9 1 "RMS(OBS, PRED)" H 74 0.431 1
53 1 9 1 "RMS(OBS, PRED)" HA 76 0.186 1
54 1 9 1 "RMS(OBS, PRED)" N 73 2.100 1
55 1 10 1 "RMS(OBS, PRED)" C 74 0.920 1
56 1 10 1 "RMS(OBS, PRED)" CA 77 1.029 1
57 1 10 1 "RMS(OBS, PRED)" CB 76 0.884 1
58 1 10 1 "RMS(OBS, PRED)" H 74 0.445 1
59 1 10 1 "RMS(OBS, PRED)" HA 76 0.259 1
60 1 10 1 "RMS(OBS, PRED)" N 73 2.295 1
61 1 11 1 "RMS(OBS, PRED)" C 74 0.956 1
62 1 11 1 "RMS(OBS, PRED)" CA 77 0.963 1
63 1 11 1 "RMS(OBS, PRED)" CB 76 0.897 1
64 1 11 1 "RMS(OBS, PRED)" H 74 0.520 1
65 1 11 1 "RMS(OBS, PRED)" HA 76 0.203 1
66 1 11 1 "RMS(OBS, PRED)" N 73 2.232 1
67 1 12 1 "RMS(OBS, PRED)" C 74 0.909 1
68 1 12 1 "RMS(OBS, PRED)" CA 77 1.020 1
69 1 12 1 "RMS(OBS, PRED)" CB 76 0.973 1
70 1 12 1 "RMS(OBS, PRED)" H 74 0.483 1
71 1 12 1 "RMS(OBS, PRED)" HA 76 0.208 1
72 1 12 1 "RMS(OBS, PRED)" N 73 2.158 1
73 1 13 1 "RMS(OBS, PRED)" C 74 0.959 1
74 1 13 1 "RMS(OBS, PRED)" CA 77 1.046 1
75 1 13 1 "RMS(OBS, PRED)" CB 76 1.074 1
76 1 13 1 "RMS(OBS, PRED)" H 74 0.443 1
77 1 13 1 "RMS(OBS, PRED)" HA 76 0.234 1
78 1 13 1 "RMS(OBS, PRED)" N 73 2.477 1
79 1 14 1 "RMS(OBS, PRED)" C 74 1.022 1
80 1 14 1 "RMS(OBS, PRED)" CA 77 1.017 1
81 1 14 1 "RMS(OBS, PRED)" CB 76 0.717 1
82 1 14 1 "RMS(OBS, PRED)" H 74 0.525 1
83 1 14 1 "RMS(OBS, PRED)" HA 76 0.210 1
84 1 14 1 "RMS(OBS, PRED)" N 73 2.422 1
85 1 15 1 "RMS(OBS, PRED)" C 74 0.888 1
86 1 15 1 "RMS(OBS, PRED)" CA 77 1.099 1
87 1 15 1 "RMS(OBS, PRED)" CB 76 0.956 1
88 1 15 1 "RMS(OBS, PRED)" H 74 0.453 1
89 1 15 1 "RMS(OBS, PRED)" HA 76 0.229 1
90 1 15 1 "RMS(OBS, PRED)" N 73 2.214 1
91 1 16 1 "RMS(OBS, PRED)" C 74 0.895 1
92 1 16 1 "RMS(OBS, PRED)" CA 77 0.984 1
93 1 16 1 "RMS(OBS, PRED)" CB 76 0.843 1
94 1 16 1 "RMS(OBS, PRED)" H 74 0.450 1
95 1 16 1 "RMS(OBS, PRED)" HA 76 0.255 1
96 1 16 1 "RMS(OBS, PRED)" N 73 2.210 1
97 1 17 1 "RMS(OBS, PRED)" C 74 0.900 1
98 1 17 1 "RMS(OBS, PRED)" CA 77 0.967 1
99 1 17 1 "RMS(OBS, PRED)" CB 76 0.904 1
100 1 17 1 "RMS(OBS, PRED)" H 74 0.467 1
101 1 17 1 "RMS(OBS, PRED)" HA 76 0.225 1
102 1 17 1 "RMS(OBS, PRED)" N 73 2.190 1
103 1 18 1 "RMS(OBS, PRED)" C 74 0.944 1
104 1 18 1 "RMS(OBS, PRED)" CA 77 1.061 1
105 1 18 1 "RMS(OBS, PRED)" CB 76 0.858 1
106 1 18 1 "RMS(OBS, PRED)" H 74 0.480 1
107 1 18 1 "RMS(OBS, PRED)" HA 76 0.213 1
108 1 18 1 "RMS(OBS, PRED)" N 73 2.392 1
109 1 19 1 "RMS(OBS, PRED)" C 74 0.831 1
110 1 19 1 "RMS(OBS, PRED)" CA 77 1.105 1
111 1 19 1 "RMS(OBS, PRED)" CB 76 1.024 1
112 1 19 1 "RMS(OBS, PRED)" H 74 0.433 1
113 1 19 1 "RMS(OBS, PRED)" HA 76 0.216 1
114 1 19 1 "RMS(OBS, PRED)" N 73 1.975 1
115 1 20 1 "RMS(OBS, PRED)" C 74 0.992 1
116 1 20 1 "RMS(OBS, PRED)" CA 77 1.062 1
117 1 20 1 "RMS(OBS, PRED)" CB 76 0.792 1
118 1 20 1 "RMS(OBS, PRED)" H 74 0.530 1
119 1 20 1 "RMS(OBS, PRED)" HA 76 0.217 1
120 1 20 1 "RMS(OBS, PRED)" N 73 2.578 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 ALA HA H 2 4.140 4.555 -0.415 2
1 5 . 1 1 A 2 2 ALA C C 2 173.800 177.024 -3.224 2
1 6 . 1 1 A 2 2 ALA CA C 2 51.800 52.005 -0.205 2
1 7 . 1 1 A 2 2 ALA CB C 2 19.600 20.033 -0.433 2
1 8 . 1 1 A 3 3 ILE H H 3 8.540 8.307 0.233 2
1 9 . 1 1 A 3 3 ILE HA H 3 4.190 4.282 -0.092 2
1 19 . 1 1 A 3 3 ILE C C 3 176.000 175.670 0.330 2
1 20 . 1 1 A 3 3 ILE CA C 3 61.300 61.408 -0.108 2
1 21 . 1 1 A 3 3 ILE CB C 3 38.800 38.537 0.263 2
1 25 . 1 1 A 3 3 ILE N N 3 120.500 119.510 0.990 2
1 26 . 1 1 A 4 4 GLN H H 4 8.570 8.285 0.285 2
1 27 . 1 1 A 4 4 GLN HA H 4 4.400 4.500 -0.100 2
1 34 . 1 1 A 4 4 GLN C C 4 175.700 175.172 0.528 2
1 35 . 1 1 A 4 4 GLN CA C 4 55.800 55.569 0.231 2
1 36 . 1 1 A 4 4 GLN CB C 4 29.600 29.590 0.010 2
1 39 . 1 1 A 4 4 GLN N N 4 125.100 123.601 1.499 2
1 41 . 1 1 A 5 5 SER H H 5 8.440 8.493 -0.053 2
1 42 . 1 1 A 5 5 SER HA H 5 4.420 4.545 -0.125 2
1 45 . 1 1 A 5 5 SER C C 5 174.300 174.476 -0.176 2
1 46 . 1 1 A 5 5 SER CA C 5 58.200 58.426 -0.226 2
1 47 . 1 1 A 5 5 SER CB C 5 64.000 63.151 0.849 2
1 48 . 1 1 A 5 5 SER N N 5 118.100 117.506 0.594 2
1 49 . 1 1 A 6 6 LYS H H 6 8.320 8.315 0.005 2
1 50 . 1 1 A 6 6 LYS HA H 6 4.110 4.174 -0.064 2
1 59 . 1 1 A 6 6 LYS C C 6 176.000 175.660 0.340 2
1 60 . 1 1 A 6 6 LYS CA C 6 57.200 57.369 -0.169 2
1 61 . 1 1 A 6 6 LYS CB C 6 33.100 32.843 0.257 2
1 65 . 1 1 A 6 6 LYS N N 6 123.600 122.218 1.382 2
1 66 . 1 1 A 7 7 TYR H H 7 8.000 7.790 0.210 2
1 67 . 1 1 A 7 7 TYR HA H 7 4.800 4.889 -0.089 2
1 74 . 1 1 A 7 7 TYR C C 7 175.800 174.684 1.116 2
1 75 . 1 1 A 7 7 TYR CA C 7 57.000 57.526 -0.526 2
1 76 . 1 1 A 7 7 TYR CB C 7 39.900 39.880 0.020 2
1 81 . 1 1 A 7 7 TYR N N 7 118.900 118.519 0.380 2
1 82 . 1 1 A 8 8 SER H H 8 8.770 8.688 0.082 2
1 83 . 1 1 A 8 8 SER HA H 8 4.510 4.755 -0.245 2
1 86 . 1 1 A 8 8 SER C C 8 175.000 175.330 -0.330 2
1 87 . 1 1 A 8 8 SER CA C 8 57.500 57.386 0.114 2
1 88 . 1 1 A 8 8 SER CB C 8 64.700 64.992 -0.292 2
1 89 . 1 1 A 8 8 SER N N 8 118.600 117.895 0.705 2
1 90 . 1 1 A 9 9 ASN H H 9 8.910 9.057 -0.147 2
1 91 . 1 1 A 9 9 ASN HA H 9 4.540 4.415 0.125 2
1 96 . 1 1 A 9 9 ASN C C 9 177.200 177.432 -0.232 2
1 97 . 1 1 A 9 9 ASN CA C 9 55.900 56.603 -0.703 2
1 98 . 1 1 A 9 9 ASN CB C 9 38.200 38.114 0.086 2
1 100 . 1 1 A 9 9 ASN N N 9 121.400 123.463 -2.063 2
1 102 . 1 1 A 10 10 THR H H 10 8.180 8.024 0.156 2
1 103 . 1 1 A 10 10 THR HA H 10 4.070 3.911 0.159 2
1 108 . 1 1 A 10 10 THR C C 10 176.600 176.401 0.199 2
1 109 . 1 1 A 10 10 THR CA C 10 65.300 66.643 -1.343 2
1 110 . 1 1 A 10 10 THR CB C 10 68.800 68.472 0.328 2
1 112 . 1 1 A 10 10 THR N N 10 113.500 116.066 -2.566 2
1 113 . 1 1 A 11 11 GLN H H 11 7.950 7.929 0.021 2
1 114 . 1 1 A 11 11 GLN HA H 11 4.160 4.017 0.143 2
1 121 . 1 1 A 11 11 GLN C C 11 178.400 178.391 0.009 2
1 122 . 1 1 A 11 11 GLN CA C 11 59.000 58.910 0.090 2
1 123 . 1 1 A 11 11 GLN CB C 11 29.200 28.639 0.561 2
1 126 . 1 1 A 11 11 GLN N N 11 122.500 121.343 1.157 2
1 128 . 1 1 A 12 12 VAL H H 12 7.850 8.093 -0.243 2
1 129 . 1 1 A 12 12 VAL HA H 12 3.540 3.506 0.034 2
1 137 . 1 1 A 12 12 VAL C C 12 177.400 177.900 -0.500 2
1 138 . 1 1 A 12 12 VAL CA C 12 66.400 66.758 -0.358 2
1 139 . 1 1 A 12 12 VAL CB C 12 32.300 31.523 0.777 2
1 142 . 1 1 A 12 12 VAL N N 12 119.000 119.780 -0.780 2
1 143 . 1 1 A 13 13 GLU H H 13 8.550 8.604 -0.054 2
1 144 . 1 1 A 13 13 GLU HA H 13 3.910 3.943 -0.033 2
1 149 . 1 1 A 13 13 GLU C C 13 179.500 178.747 0.753 2
1 150 . 1 1 A 13 13 GLU CA C 13 59.700 59.868 -0.168 2
1 151 . 1 1 A 13 13 GLU CB C 13 29.100 29.496 -0.396 2
1 153 . 1 1 A 13 13 GLU N N 13 118.300 120.550 -2.250 2
1 154 . 1 1 A 14 14 SER H H 14 8.080 8.114 -0.034 2
1 155 . 1 1 A 14 14 SER HA H 14 4.260 4.184 0.076 2
1 158 . 1 1 A 14 14 SER C C 14 176.200 177.057 -0.857 2
1 159 . 1 1 A 14 14 SER CA C 14 61.700 61.667 0.033 2
1 160 . 1 1 A 14 14 SER CB C 14 62.800 62.817 -0.017 2
1 161 . 1 1 A 14 14 SER N N 14 114.600 115.787 -1.187 2
1 162 . 1 1 A 15 15 LEU H H 15 7.110 8.074 -0.964 2
1 163 . 1 1 A 15 15 LEU HA H 15 3.690 4.033 -0.343 2
1 173 . 1 1 A 15 15 LEU C C 15 177.800 178.958 -1.158 2
1 174 . 1 1 A 15 15 LEU CA C 15 57.700 58.234 -0.534 2
1 175 . 1 1 A 15 15 LEU CB C 15 42.300 41.831 0.469 2
1 179 . 1 1 A 15 15 LEU N N 15 122.200 122.434 -0.234 2
1 180 . 1 1 A 16 16 ILE H H 16 8.030 8.420 -0.390 2
1 181 . 1 1 A 16 16 ILE HA H 16 3.220 3.662 -0.442 2
1 191 . 1 1 A 16 16 ILE C C 16 177.200 177.790 -0.590 2
1 192 . 1 1 A 16 16 ILE CA C 16 66.000 65.863 0.137 2
1 193 . 1 1 A 16 16 ILE CB C 16 39.100 37.755 1.345 2
1 197 . 1 1 A 16 16 ILE N N 16 117.900 119.519 -1.619 2
1 198 . 1 1 A 17 17 ALA H H 17 7.960 8.569 -0.609 2
1 199 . 1 1 A 17 17 ALA HA H 17 3.930 3.977 -0.047 2
1 203 . 1 1 A 17 17 ALA C C 17 180.600 179.781 0.819 2
1 204 . 1 1 A 17 17 ALA CA C 17 55.400 55.714 -0.314 2
1 205 . 1 1 A 17 17 ALA CB C 17 18.000 18.323 -0.323 2
1 206 . 1 1 A 17 17 ALA N N 17 118.300 122.042 -3.742 2
1 207 . 1 1 A 18 18 GLU H H 18 7.630 7.871 -0.241 2
1 208 . 1 1 A 18 18 GLU HA H 18 4.030 4.056 -0.026 2
1 213 . 1 1 A 18 18 GLU C C 18 179.400 179.325 0.075 2
1 214 . 1 1 A 18 18 GLU CA C 18 59.800 59.132 0.668 2
1 215 . 1 1 A 18 18 GLU CB C 18 30.300 29.503 0.797 2
1 217 . 1 1 A 18 18 GLU N N 18 116.300 118.249 -1.949 2
1 218 . 1 1 A 19 19 ILE H H 19 8.110 7.784 0.326 2
1 219 . 1 1 A 19 19 ILE HA H 19 3.590 3.694 -0.104 2
1 229 . 1 1 A 19 19 ILE C C 19 177.800 178.460 -0.660 2
1 230 . 1 1 A 19 19 ILE CA C 19 66.500 65.216 1.284 2
1 231 . 1 1 A 19 19 ILE CB C 19 37.500 37.509 -0.009 2
1 235 . 1 1 A 19 19 ILE N N 19 121.100 120.198 0.902 2
1 236 . 1 1 A 20 20 LEU H H 20 8.480 8.137 0.343 2
1 237 . 1 1 A 20 20 LEU HA H 20 4.020 4.061 -0.041 2
1 247 . 1 1 A 20 20 LEU C C 20 180.500 178.995 1.505 2
1 248 . 1 1 A 20 20 LEU CA C 20 58.600 57.988 0.612 2
1 249 . 1 1 A 20 20 LEU CB C 20 40.400 41.621 -1.221 2
1 253 . 1 1 A 20 20 LEU N N 20 118.300 119.955 -1.655 2
1 254 . 1 1 A 21 21 VAL H H 21 7.810 8.206 -0.396 2
1 255 . 1 1 A 21 21 VAL HA H 21 3.770 3.618 0.152 2
1 263 . 1 1 A 21 21 VAL C C 21 178.200 178.403 -0.203 2
1 264 . 1 1 A 21 21 VAL CA C 21 66.800 66.700 0.100 2
1 265 . 1 1 A 21 21 VAL CB C 21 31.600 31.524 0.076 2
1 268 . 1 1 A 21 21 VAL N N 21 119.700 119.204 0.496 2
1 269 . 1 1 A 22 22 VAL H H 22 7.530 8.047 -0.517 2
1 270 . 1 1 A 22 22 VAL HA H 22 3.610 3.539 0.071 2
1 278 . 1 1 A 22 22 VAL C C 22 178.500 178.017 0.483 2
1 279 . 1 1 A 22 22 VAL CA C 22 67.300 66.956 0.344 2
1 280 . 1 1 A 22 22 VAL CB C 22 31.500 31.525 -0.025 2
1 283 . 1 1 A 22 22 VAL N N 22 121.400 120.324 1.076 2
1 284 . 1 1 A 23 23 LEU H H 23 7.610 8.004 -0.394 2
1 285 . 1 1 A 23 23 LEU HA H 23 3.880 3.891 -0.011 2
1 295 . 1 1 A 23 23 LEU C C 23 179.700 179.446 0.254 2
1 296 . 1 1 A 23 23 LEU CA C 23 58.400 58.358 0.042 2
1 297 . 1 1 A 23 23 LEU CB C 23 40.900 41.399 -0.499 2
1 301 . 1 1 A 23 23 LEU N N 23 116.800 119.192 -2.392 2
1 302 . 1 1 A 24 24 GLU H H 24 8.160 8.420 -0.260 2
1 303 . 1 1 A 24 24 GLU HA H 24 4.170 3.999 0.171 2
1 308 . 1 1 A 24 24 GLU C C 24 180.900 179.231 1.669 2
1 309 . 1 1 A 24 24 GLU CA C 24 59.000 59.440 -0.440 2
1 310 . 1 1 A 24 24 GLU CB C 24 29.700 29.218 0.482 2
1 312 . 1 1 A 24 24 GLU N N 24 119.200 118.771 0.429 2
1 313 . 1 1 A 25 25 LYS H H 25 8.980 8.123 0.857 2
1 314 . 1 1 A 25 25 LYS HA H 25 4.050 4.044 0.006 2
1 323 . 1 1 A 25 25 LYS C C 25 178.600 178.300 0.300 2
1 324 . 1 1 A 25 25 LYS CA C 25 59.300 58.832 0.468 2
1 325 . 1 1 A 25 25 LYS CB C 25 32.100 32.130 -0.030 2
1 329 . 1 1 A 25 25 LYS N N 25 122.900 119.924 2.976 2
1 330 . 1 1 A 26 26 HIS H H 26 7.400 7.428 -0.028 2
1 331 . 1 1 A 26 26 HIS HA H 26 4.460 4.621 -0.161 2
1 336 . 1 1 A 26 26 HIS C C 26 173.600 174.558 -0.958 2
1 337 . 1 1 A 26 26 HIS CA C 26 56.500 56.100 0.400 2
1 338 . 1 1 A 26 26 HIS CB C 26 29.200 30.155 -0.956 2
1 341 . 1 1 A 26 26 HIS N N 26 113.800 114.368 -0.568 2
1 342 . 1 1 A 27 27 LYS H H 27 8.200 7.931 0.269 2
1 343 . 1 1 A 27 27 LYS HA H 27 3.950 3.866 0.084 2
1 352 . 1 1 A 27 27 LYS C C 27 176.500 175.488 1.012 2
1 353 . 1 1 A 27 27 LYS CA C 27 56.600 57.263 -0.663 2
1 354 . 1 1 A 27 27 LYS CB C 27 29.600 30.505 -0.905 2
1 358 . 1 1 A 27 27 LYS N N 27 119.500 117.963 1.537 2
1 359 . 1 1 A 28 28 ALA H H 28 7.760 7.666 0.094 2
1 360 . 1 1 A 28 28 ALA HA H 28 4.490 4.475 0.015 2
1 364 . 1 1 A 28 28 ALA CA C 28 51.000 50.523 0.477 2
1 365 . 1 1 A 28 28 ALA CB C 28 19.200 19.207 -0.007 2
1 366 . 1 1 A 28 28 ALA N N 28 121.500 121.143 0.357 2
1 367 . 1 1 A 29 29 PRO HA H 29 4.720 4.538 0.182 2
1 374 . 1 1 A 29 29 PRO C C 29 177.400 177.396 0.004 2
1 375 . 1 1 A 29 29 PRO CA C 29 62.100 62.674 -0.574 2
1 376 . 1 1 A 29 29 PRO CB C 29 33.000 32.934 0.066 2
1 379 . 1 1 A 30 30 THR H H 30 8.830 8.425 0.405 2
1 380 . 1 1 A 30 30 THR HA H 30 3.680 4.016 -0.336 2
1 385 . 1 1 A 30 30 THR C C 30 175.200 175.867 -0.667 2
1 386 . 1 1 A 30 30 THR CA C 30 67.400 65.606 1.794 2
1 387 . 1 1 A 30 30 THR CB C 30 68.500 68.581 -0.081 2
1 389 . 1 1 A 30 30 THR N N 30 120.400 117.329 3.071 2
1 390 . 1 1 A 31 31 ASP H H 31 8.880 8.256 0.624 2
1 391 . 1 1 A 31 31 ASP HA H 31 4.220 4.343 -0.123 2
1 394 . 1 1 A 31 31 ASP C C 31 179.000 178.558 0.442 2
1 395 . 1 1 A 31 31 ASP CA C 31 57.400 57.359 0.041 2
1 396 . 1 1 A 31 31 ASP CB C 31 38.700 40.983 -2.283 2
1 397 . 1 1 A 31 31 ASP N N 31 118.600 121.036 -2.436 2
1 398 . 1 1 A 32 32 LEU H H 32 7.540 7.853 -0.313 2
1 399 . 1 1 A 32 32 LEU HA H 32 3.970 4.088 -0.117 2
1 409 . 1 1 A 32 32 LEU C C 32 178.100 178.687 -0.587 2
1 410 . 1 1 A 32 32 LEU CA C 32 57.500 57.484 0.016 2
1 411 . 1 1 A 32 32 LEU CB C 32 40.600 41.550 -0.950 2
1 415 . 1 1 A 32 32 LEU N N 32 124.300 121.408 2.892 2
1 416 . 1 1 A 33 33 SER H H 33 8.420 8.404 0.016 2
1 417 . 1 1 A 33 33 SER HA H 33 3.860 4.127 -0.267 2
1 420 . 1 1 A 33 33 SER C C 33 175.900 176.967 -1.067 2
1 421 . 1 1 A 33 33 SER CA C 33 63.100 61.960 1.140 2
1 422 . 1 1 A 33 33 SER CB C 33 62.900 62.866 0.034 2
1 423 . 1 1 A 33 33 SER N N 33 116.000 115.988 0.012 2
1 424 . 1 1 A 34 34 LEU H H 34 8.400 8.411 -0.011 2
1 425 . 1 1 A 34 34 LEU HA H 34 4.010 4.018 -0.008 2
1 435 . 1 1 A 34 34 LEU C C 34 179.500 179.020 0.480 2
1 436 . 1 1 A 34 34 LEU CA C 34 58.700 57.887 0.813 2
1 437 . 1 1 A 34 34 LEU CB C 34 41.500 41.337 0.163 2
1 441 . 1 1 A 34 34 LEU N N 34 120.400 121.761 -1.361 2
1 442 . 1 1 A 35 35 MET H H 35 7.970 8.239 -0.269 2
1 443 . 1 1 A 35 35 MET HA H 35 4.210 4.212 -0.002 2
1 451 . 1 1 A 35 35 MET C C 35 178.900 177.994 0.906 2
1 452 . 1 1 A 35 35 MET CA C 35 59.100 58.605 0.495 2
1 453 . 1 1 A 35 35 MET CB C 35 33.100 32.355 0.745 2
1 456 . 1 1 A 35 35 MET N N 35 120.300 118.240 2.059 2
1 457 . 1 1 A 36 36 ALA H H 36 8.710 8.065 0.645 2
1 458 . 1 1 A 36 36 ALA HA H 36 3.900 4.062 -0.163 2
1 462 . 1 1 A 36 36 ALA C C 36 179.700 179.858 -0.158 2
1 463 . 1 1 A 36 36 ALA CA C 36 55.400 55.107 0.293 2
1 464 . 1 1 A 36 36 ALA CB C 36 18.600 18.370 0.230 2
1 465 . 1 1 A 36 36 ALA N N 36 121.700 121.440 0.260 2
1 466 . 1 1 A 37 37 LEU H H 37 8.750 8.525 0.225 2
1 467 . 1 1 A 37 37 LEU HA H 37 3.980 3.973 0.007 2
1 477 . 1 1 A 37 37 LEU C C 37 179.600 179.161 0.439 2
1 478 . 1 1 A 37 37 LEU CA C 37 59.000 57.985 1.015 2
1 479 . 1 1 A 37 37 LEU CB C 37 42.000 41.908 0.091 2
1 483 . 1 1 A 37 37 LEU N N 37 118.100 118.912 -0.812 2
1 484 . 1 1 A 38 38 GLY H H 38 8.780 8.512 0.268 2
1 485 . 1 1 A 38 38 GLY HA2 H 38 3.650 3.770 -0.120 2
1 486 . 1 1 A 38 38 GLY HA3 H 38 3.940 3.780 0.160 2
1 487 . 1 1 A 38 38 GLY C C 38 175.600 176.043 -0.443 2
1 488 . 1 1 A 38 38 GLY CA C 38 48.300 47.472 0.828 2
1 489 . 1 1 A 38 38 GLY N N 38 105.600 105.708 -0.108 2
1 490 . 1 1 A 39 39 ASN H H 39 8.180 7.865 0.315 2
1 491 . 1 1 A 39 39 ASN HA H 39 4.550 4.500 0.050 2
1 496 . 1 1 A 39 39 ASN C C 39 178.400 177.956 0.444 2
1 497 . 1 1 A 39 39 ASN CA C 39 56.000 56.014 -0.014 2
1 498 . 1 1 A 39 39 ASN CB C 39 39.200 38.200 1.000 2
1 500 . 1 1 A 39 39 ASN N N 39 120.000 119.521 0.479 2
1 502 . 1 1 A 40 40 CYS H H 40 8.420 8.100 0.320 2
1 503 . 1 1 A 40 40 CYS HA H 40 4.010 4.181 -0.171 2
1 506 . 1 1 A 40 40 CYS C C 40 176.000 177.085 -1.085 2
1 507 . 1 1 A 40 40 CYS CA C 40 65.300 62.953 2.347 2
1 508 . 1 1 A 40 40 CYS CB C 40 27.200 26.827 0.373 2
1 509 . 1 1 A 40 40 CYS N N 40 120.200 118.891 1.309 2
1 510 . 1 1 A 41 41 VAL H H 41 7.830 8.175 -0.345 2
1 511 . 1 1 A 41 41 VAL HA H 41 3.250 3.447 -0.197 2
1 519 . 1 1 A 41 41 VAL C C 41 177.500 178.245 -0.745 2
1 520 . 1 1 A 41 41 VAL CA C 41 67.500 66.866 0.634 2
1 521 . 1 1 A 41 41 VAL CB C 41 30.800 31.579 -0.779 2
1 524 . 1 1 A 41 41 VAL N N 41 119.400 120.815 -1.415 2
1 525 . 1 1 A 42 42 THR H H 42 8.270 7.904 0.366 2
1 526 . 1 1 A 42 42 THR HA H 42 3.520 3.890 -0.370 2
1 531 . 1 1 A 42 42 THR C C 42 176.200 176.406 -0.207 2
1 532 . 1 1 A 42 42 THR CA C 42 67.800 66.341 1.459 2
1 533 . 1 1 A 42 42 THR CB C 42 67.800 68.440 -0.640 2
1 535 . 1 1 A 42 42 THR N N 42 113.600 115.356 -1.756 2
1 536 . 1 1 A 43 43 HIS H H 43 8.250 8.008 0.242 2
1 537 . 1 1 A 43 43 HIS HA H 43 4.310 4.287 0.023 2
1 542 . 1 1 A 43 43 HIS C C 43 177.200 177.000 0.200 2
1 543 . 1 1 A 43 43 HIS CA C 43 59.300 59.546 -0.246 2
1 544 . 1 1 A 43 43 HIS CB C 43 28.900 29.599 -0.699 2
1 547 . 1 1 A 43 43 HIS N N 43 120.000 122.029 -2.029 2
1 550 . 1 1 A 44 44 LEU H H 44 8.070 8.037 0.033 2
1 551 . 1 1 A 44 44 LEU HA H 44 3.960 3.761 0.199 2
1 561 . 1 1 A 44 44 LEU C C 44 179.300 179.283 0.017 2
1 562 . 1 1 A 44 44 LEU CA C 44 58.400 57.618 0.782 2
1 563 . 1 1 A 44 44 LEU CB C 44 42.200 41.369 0.831 2
1 567 . 1 1 A 44 44 LEU N N 44 119.400 119.675 -0.275 2
1 568 . 1 1 A 45 45 LEU H H 45 8.410 7.912 0.498 2
1 569 . 1 1 A 45 45 LEU HA H 45 3.850 3.876 -0.026 2
1 579 . 1 1 A 45 45 LEU C C 45 178.700 178.929 -0.229 2
1 580 . 1 1 A 45 45 LEU CA C 45 58.200 57.848 0.352 2
1 581 . 1 1 A 45 45 LEU CB C 45 41.800 41.239 0.561 2
1 585 . 1 1 A 45 45 LEU N N 45 118.100 119.304 -1.204 2
1 586 . 1 1 A 46 46 GLU H H 46 8.120 8.089 0.031 2
1 587 . 1 1 A 46 46 GLU HA H 46 3.740 4.067 -0.327 2
1 592 . 1 1 A 46 46 GLU C C 46 178.000 178.113 -0.113 2
1 593 . 1 1 A 46 46 GLU CA C 46 58.900 58.938 -0.038 2
1 594 . 1 1 A 46 46 GLU CB C 46 29.700 29.327 0.373 2
1 596 . 1 1 A 46 46 GLU N N 46 115.000 118.354 -3.354 2
1 597 . 1 1 A 47 47 ARG H H 47 7.740 7.751 -0.011 2
1 598 . 1 1 A 47 47 ARG HA H 47 4.270 4.219 0.051 2
1 606 . 1 1 A 47 47 ARG C C 47 178.500 177.608 0.892 2
1 607 . 1 1 A 47 47 ARG CA C 47 57.000 57.639 -0.639 2
1 608 . 1 1 A 47 47 ARG CB C 47 31.600 30.784 0.816 2
1 611 . 1 1 A 47 47 ARG N N 47 114.000 119.162 -5.162 2
1 613 . 1 1 A 48 48 LYS H H 48 8.210 7.851 0.359 2
1 614 . 1 1 A 48 48 LYS HA H 48 4.620 4.384 0.236 2
1 623 . 1 1 A 48 48 LYS C C 48 176.400 175.711 0.689 2
1 624 . 1 1 A 48 48 LYS CA C 48 55.500 56.521 -1.021 2
1 625 . 1 1 A 48 48 LYS CB C 48 34.500 33.712 0.788 2
1 629 . 1 1 A 48 48 LYS N N 48 114.000 117.201 -3.201 2
1 630 . 1 1 A 49 49 VAL H H 49 7.630 7.431 0.199 2
1 631 . 1 1 A 49 49 VAL HA H 49 4.710 4.391 0.319 2
1 639 . 1 1 A 49 49 VAL CA C 49 59.400 58.620 0.780 2
1 640 . 1 1 A 49 49 VAL CB C 49 33.600 33.995 -0.395 2
1 643 . 1 1 A 49 49 VAL N N 49 121.800 119.266 2.534 2
1 644 . 1 1 A 50 50 PRO HA H 50 4.460 4.539 -0.079 2
1 651 . 1 1 A 50 50 PRO C C 50 177.900 177.699 0.201 2
1 652 . 1 1 A 50 50 PRO CA C 50 63.200 62.750 0.450 2
1 653 . 1 1 A 50 50 PRO CB C 50 32.900 32.762 0.138 2
1 656 . 1 1 A 51 51 SER H H 51 8.950 8.742 0.208 2
1 657 . 1 1 A 51 51 SER HA H 51 3.910 4.161 -0.251 2
1 660 . 1 1 A 51 51 SER C C 51 176.300 176.690 -0.390 2
1 661 . 1 1 A 51 51 SER CA C 51 62.800 61.555 1.245 2
1 662 . 1 1 A 51 51 SER CB C 51 62.700 62.918 -0.218 2
1 663 . 1 1 A 51 51 SER N N 51 119.000 118.879 0.121 2
1 664 . 1 1 A 52 52 GLU H H 52 9.480 8.204 1.276 2
1 665 . 1 1 A 52 52 GLU HA H 52 4.220 4.099 0.121 2
1 670 . 1 1 A 52 52 GLU C C 52 177.000 178.339 -1.339 2
1 671 . 1 1 A 52 52 GLU CA C 52 59.200 59.122 0.078 2
1 672 . 1 1 A 52 52 GLU CB C 52 28.700 29.311 -0.611 2
1 674 . 1 1 A 52 52 GLU N N 52 118.900 121.783 -2.883 2
1 675 . 1 1 A 53 53 SER H H 53 7.770 7.927 -0.157 2
1 676 . 1 1 A 53 53 SER HA H 53 4.940 4.367 0.573 2
1 679 . 1 1 A 53 53 SER C C 53 174.200 176.374 -2.174 2
1 680 . 1 1 A 53 53 SER CA C 53 58.200 60.463 -2.263 2
1 681 . 1 1 A 53 53 SER CB C 53 64.800 63.537 1.263 2
1 682 . 1 1 A 53 53 SER N N 53 112.500 116.413 -3.913 2
1 683 . 1 1 A 54 54 ARG H H 54 7.380 8.047 -0.667 2
1 684 . 1 1 A 54 54 ARG HA H 54 3.630 3.997 -0.367 2
1 696 . 1 1 A 54 54 ARG C C 54 177.200 178.774 -1.574 2
1 697 . 1 1 A 54 54 ARG CA C 54 61.400 59.680 1.720 2
1 698 . 1 1 A 54 54 ARG CB C 54 31.200 29.888 1.312 2
1 701 . 1 1 A 54 54 ARG N N 54 122.100 121.882 0.218 2
1 703 . 1 1 A 55 55 GLN H H 55 9.010 7.883 1.127 2
1 704 . 1 1 A 55 55 GLN HA H 55 3.840 4.066 -0.226 2
1 711 . 1 1 A 55 55 GLN C C 55 178.000 178.336 -0.336 2
1 712 . 1 1 A 55 55 GLN CA C 55 59.700 58.697 1.003 2
1 713 . 1 1 A 55 55 GLN CB C 55 28.100 28.564 -0.464 2
1 716 . 1 1 A 55 55 GLN N N 55 118.000 118.859 -0.859 2
1 718 . 1 1 A 56 56 ALA H H 56 8.280 7.834 0.446 2
1 719 . 1 1 A 56 56 ALA HA H 56 4.190 4.082 0.108 2
1 723 . 1 1 A 56 56 ALA C C 56 181.200 179.938 1.262 2
1 724 . 1 1 A 56 56 ALA CA C 56 55.200 55.124 0.076 2
1 725 . 1 1 A 56 56 ALA CB C 56 17.900 18.382 -0.482 2
1 726 . 1 1 A 56 56 ALA N N 56 122.300 122.495 -0.195 2
1 727 . 1 1 A 57 57 VAL H H 57 8.150 8.400 -0.250 2
1 728 . 1 1 A 57 57 VAL HA H 57 3.740 3.547 0.193 2
1 736 . 1 1 A 57 57 VAL C C 57 178.900 178.183 0.717 2
1 737 . 1 1 A 57 57 VAL CA C 57 66.700 66.482 0.218 2
1 738 . 1 1 A 57 57 VAL CB C 57 31.700 31.519 0.181 2
1 741 . 1 1 A 57 57 VAL N N 57 119.600 118.357 1.243 2
1 742 . 1 1 A 58 58 ALA H H 58 8.370 8.100 0.270 2
1 743 . 1 1 A 58 58 ALA HA H 58 3.910 3.987 -0.077 2
1 747 . 1 1 A 58 58 ALA C C 58 179.500 179.674 -0.174 2
1 748 . 1 1 A 58 58 ALA CA C 58 55.800 55.820 -0.020 2
1 749 . 1 1 A 58 58 ALA CB C 58 18.500 18.331 0.169 2
1 750 . 1 1 A 58 58 ALA N N 58 123.000 122.121 0.879 2
1 751 . 1 1 A 59 59 GLU H H 59 8.630 8.154 0.476 2
1 752 . 1 1 A 59 59 GLU HA H 59 4.100 4.025 0.075 2
1 757 . 1 1 A 59 59 GLU C C 59 179.400 179.249 0.151 2
1 758 . 1 1 A 59 59 GLU CA C 59 59.600 59.728 -0.128 2
1 759 . 1 1 A 59 59 GLU CB C 59 29.300 29.378 -0.078 2
1 761 . 1 1 A 59 59 GLU N N 59 118.400 118.107 0.293 2
1 762 . 1 1 A 60 60 GLN H H 60 8.280 8.207 0.073 2
1 763 . 1 1 A 60 60 GLN HA H 60 4.090 4.092 -0.002 2
1 770 . 1 1 A 60 60 GLN C C 60 178.700 178.434 0.266 2
1 771 . 1 1 A 60 60 GLN CA C 60 59.100 58.789 0.311 2
1 772 . 1 1 A 60 60 GLN CB C 60 28.100 28.412 -0.312 2
1 775 . 1 1 A 60 60 GLN N N 60 120.400 118.589 1.811 2
1 777 . 1 1 A 61 61 PHE H H 61 8.400 8.825 -0.425 2
1 778 . 1 1 A 61 61 PHE HA H 61 4.160 4.286 -0.126 2
1 786 . 1 1 A 61 61 PHE C C 61 177.600 177.694 -0.094 2
1 787 . 1 1 A 61 61 PHE CA C 61 61.400 61.719 -0.319 2
1 788 . 1 1 A 61 61 PHE CB C 61 39.100 39.194 -0.094 2
1 794 . 1 1 A 61 61 PHE N N 61 122.000 121.630 0.370 2
1 795 . 1 1 A 62 62 ALA H H 62 8.620 8.485 0.135 2
1 796 . 1 1 A 62 62 ALA HA H 62 3.980 4.022 -0.042 2
1 800 . 1 1 A 62 62 ALA C C 62 179.700 179.709 -0.009 2
1 801 . 1 1 A 62 62 ALA CA C 62 55.500 55.392 0.108 2
1 802 . 1 1 A 62 62 ALA CB C 62 18.900 18.219 0.681 2
1 803 . 1 1 A 62 62 ALA N N 62 122.000 121.487 0.513 2
1 804 . 1 1 A 63 63 LYS H H 63 8.470 8.018 0.452 2
1 805 . 1 1 A 63 63 LYS HA H 63 4.050 3.980 0.070 2
1 814 . 1 1 A 63 63 LYS C C 63 179.200 178.908 0.292 2
1 815 . 1 1 A 63 63 LYS CA C 63 59.600 59.086 0.514 2
1 816 . 1 1 A 63 63 LYS CB C 63 32.600 32.061 0.539 2
1 820 . 1 1 A 63 63 LYS N N 63 119.500 117.428 2.072 2
1 821 . 1 1 A 64 64 ALA H H 64 8.000 8.076 -0.076 2
1 822 . 1 1 A 64 64 ALA HA H 64 4.100 4.022 0.078 2
1 826 . 1 1 A 64 64 ALA C C 64 180.700 180.108 0.592 2
1 827 . 1 1 A 64 64 ALA CA C 64 55.000 54.938 0.062 2
1 828 . 1 1 A 64 64 ALA CB C 64 17.700 18.075 -0.375 2
1 829 . 1 1 A 64 64 ALA N N 64 122.000 121.879 0.121 2
1 830 . 1 1 A 65 65 LEU H H 65 7.830 8.059 -0.229 2
1 831 . 1 1 A 65 65 LEU HA H 65 3.950 3.872 0.078 2
1 841 . 1 1 A 65 65 LEU C C 65 178.900 178.350 0.550 2
1 842 . 1 1 A 65 65 LEU CA C 65 57.800 57.566 0.234 2
1 843 . 1 1 A 65 65 LEU CB C 65 41.700 41.474 0.226 2
1 847 . 1 1 A 65 65 LEU N N 65 120.600 119.964 0.636 2
1 848 . 1 1 A 66 66 ALA H H 66 7.990 8.470 -0.480 2
1 849 . 1 1 A 66 66 ALA HA H 66 3.840 3.980 -0.140 2
1 853 . 1 1 A 66 66 ALA C C 66 180.300 179.418 0.882 2
1 854 . 1 1 A 66 66 ALA CA C 66 55.500 55.134 0.366 2
1 855 . 1 1 A 66 66 ALA CB C 66 17.900 18.284 -0.384 2
1 856 . 1 1 A 66 66 ALA N N 66 120.900 121.378 -0.478 2
1 857 . 1 1 A 67 67 GLN H H 67 8.140 8.266 -0.126 2
1 858 . 1 1 A 67 67 GLN HA H 67 4.070 4.012 0.058 2
1 865 . 1 1 A 67 67 GLN C C 67 178.400 178.368 0.032 2
1 866 . 1 1 A 67 67 GLN CA C 67 58.300 58.665 -0.365 2
1 867 . 1 1 A 67 67 GLN CB C 67 28.400 28.570 -0.170 2
1 870 . 1 1 A 67 67 GLN N N 67 116.600 118.412 -1.812 2
1 872 . 1 1 A 68 68 SER H H 68 8.120 8.010 0.110 2
1 873 . 1 1 A 68 68 SER HA H 68 4.220 4.204 0.016 2
1 876 . 1 1 A 68 68 SER C C 68 176.500 176.746 -0.246 2
1 877 . 1 1 A 68 68 SER CA C 68 61.500 62.197 -0.697 2
1 878 . 1 1 A 68 68 SER CB C 68 63.000 62.948 0.052 2
1 879 . 1 1 A 68 68 SER N N 68 116.700 116.610 0.090 2
1 880 . 1 1 A 69 69 VAL H H 69 7.660 7.883 -0.223 2
1 881 . 1 1 A 69 69 VAL HA H 69 3.860 3.577 0.283 2
1 889 . 1 1 A 69 69 VAL C C 69 177.400 178.024 -0.624 2
1 890 . 1 1 A 69 69 VAL CA C 69 64.900 66.859 -1.959 2
1 891 . 1 1 A 69 69 VAL CB C 69 31.900 31.536 0.364 2
1 894 . 1 1 A 69 69 VAL N N 69 119.800 121.574 -1.774 2
1 895 . 1 1 A 70 70 LYS H H 70 7.860 8.134 -0.274 2
1 896 . 1 1 A 70 70 LYS HA H 70 4.040 4.070 -0.030 2
1 905 . 1 1 A 70 70 LYS C C 70 178.400 178.818 -0.418 2
1 906 . 1 1 A 70 70 LYS CA C 70 59.200 59.138 0.062 2
1 907 . 1 1 A 70 70 LYS CB C 70 32.800 32.193 0.607 2
1 911 . 1 1 A 70 70 LYS N N 70 121.300 120.439 0.861 2
1 912 . 1 1 A 71 71 SER H H 71 8.390 8.157 0.233 2
1 913 . 1 1 A 71 71 SER HA H 71 4.280 4.366 -0.086 2
1 916 . 1 1 A 71 71 SER C C 71 176.000 176.079 -0.080 2
1 917 . 1 1 A 71 71 SER CA C 71 60.700 60.582 0.118 2
1 918 . 1 1 A 71 71 SER CB C 71 63.300 63.151 0.149 2
1 919 . 1 1 A 71 71 SER N N 71 114.400 115.354 -0.954 2
1 920 . 1 1 A 72 72 ASN H H 72 7.940 8.077 -0.137 2
1 921 . 1 1 A 72 72 ASN HA H 72 4.630 4.583 0.047 2
1 926 . 1 1 A 72 72 ASN C C 72 176.700 177.041 -0.341 2
1 927 . 1 1 A 72 72 ASN CA C 72 55.000 55.745 -0.745 2
1 928 . 1 1 A 72 72 ASN CB C 72 39.000 38.648 0.352 2
1 930 . 1 1 A 72 72 ASN N N 72 119.700 119.483 0.217 2
1 932 . 1 1 A 73 73 LEU H H 73 7.900 7.600 0.300 2
1 933 . 1 1 A 73 73 LEU HA H 73 4.180 4.206 -0.026 2
1 943 . 1 1 A 73 73 LEU C C 73 178.400 177.294 1.106 2
1 944 . 1 1 A 73 73 LEU CA C 73 56.700 56.400 0.300 2
1 945 . 1 1 A 73 73 LEU CB C 73 42.300 42.306 -0.006 2
1 949 . 1 1 A 73 73 LEU N N 73 121.000 118.563 2.437 2
1 950 . 1 1 A 74 74 GLU H H 74 8.060 8.085 -0.025 2
1 951 . 1 1 A 74 74 GLU HA H 74 4.120 4.307 -0.187 2
1 956 . 1 1 A 74 74 GLU C C 74 177.100 176.201 0.899 2
1 957 . 1 1 A 74 74 GLU CA C 74 57.400 56.822 0.578 2
1 958 . 1 1 A 74 74 GLU CB C 74 29.900 29.423 0.477 2
1 960 . 1 1 A 74 74 GLU N N 74 119.300 118.651 0.649 2
1 961 . 1 1 A 75 75 HIS H H 75 8.140 8.281 -0.141 2
1 962 . 1 1 A 75 75 HIS HA H 75 4.590 4.607 -0.017 2
1 966 . 1 1 A 75 75 HIS C C 75 174.900 174.804 0.096 2
1 967 . 1 1 A 75 75 HIS CA C 75 56.100 56.273 -0.173 2
1 968 . 1 1 A 75 75 HIS CB C 75 29.000 29.695 -0.695 2
1 970 . 1 1 A 75 75 HIS N N 75 117.500 120.404 -2.904 2
1 971 . 1 1 A 76 76 HIS H H 76 8.240 8.309 -0.069 2
1 972 . 1 1 A 76 76 HIS C C 76 174.500 174.589 -0.089 2
1 973 . 1 1 A 76 76 HIS CA C 76 55.900 55.847 0.053 2
1 974 . 1 1 A 76 76 HIS CB C 76 29.300 30.743 -1.443 2
1 975 . 1 1 A 76 76 HIS N N 76 118.300 120.051 -1.751 2
1 976 . 1 1 A 77 77 HIS H H 77 8.400 8.620 -0.220 2
1 977 . 1 1 A 77 77 HIS HA H 77 4.640 4.584 0.056 2
1 980 . 1 1 A 77 77 HIS C C 77 173.700 174.755 -1.055 2
1 981 . 1 1 A 77 77 HIS CA C 77 55.700 56.016 -0.316 2
1 982 . 1 1 A 77 77 HIS CB C 77 29.700 30.217 -0.517 2
1 983 . 1 1 A 77 77 HIS N N 77 119.300 120.876 -1.576 2
1 984 . 1 1 A 78 78 HIS H H 78 8.330 8.337 -0.007 2
1 985 . 1 1 A 78 78 HIS CA C 78 57.200 56.197 1.003 2
1 986 . 1 1 A 78 78 HIS CB C 78 29.900 30.504 -0.604 2
stop_
save_