data_10160_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10160
_Entry.PDB_ID 2EEA
_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 7 7 GLY CA C 7 44.699 44.444 0.255 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.124 4.064 0.060 1
1 3 . 1 1 1 A 7 7 GLY HA2 H 7 4.124 4.062 0.062 1
1 4 . 1 1 1 A 8 8 PRO CA C 8 63.321 62.636 0.685 1
1 5 . 1 1 1 A 8 8 PRO HA H 8 4.418 4.754 -0.336 1
1 6 . 1 1 1 A 8 8 PRO CB C 8 32.104 33.638 -1.534 1
1 12 . 1 1 1 A 8 8 PRO C C 8 177.159 175.010 2.149 1
1 16 . 1 1 1 A 9 9 GLU N N 9 120.837 122.669 -1.832 1
1 17 . 1 1 1 A 9 9 GLU H H 9 8.612 8.967 -0.355 1
1 18 . 1 1 1 A 9 9 GLU CA C 9 56.642 55.901 0.741 1
1 19 . 1 1 1 A 9 9 GLU HA H 9 4.282 4.847 -0.565 1
1 20 . 1 1 1 A 9 9 GLU CB C 9 30.181 33.676 -3.495 1
1 24 . 1 1 1 A 9 9 GLU C C 9 176.387 174.397 1.990 1
1 27 . 1 1 1 A 10 10 SER N N 10 117.776 119.908 -2.132 1
1 28 . 1 1 1 A 10 10 SER H H 10 8.264 8.368 -0.104 1
1 29 . 1 1 1 A 10 10 SER CA C 10 56.382 55.888 0.494 1
1 30 . 1 1 1 A 10 10 SER HA H 10 4.763 4.952 -0.189 1
1 31 . 1 1 1 A 10 10 SER CB C 10 63.575 65.780 -2.205 1
1 33 . 1 1 1 A 10 10 SER C C 10 172.958 171.757 1.201 1
1 35 . 1 1 1 A 11 11 PRO CA C 11 63.404 62.544 0.860 1
1 36 . 1 1 1 A 11 11 PRO HA H 11 4.432 4.494 -0.062 1
1 37 . 1 1 1 A 11 11 PRO CB C 11 31.958 32.745 -0.787 1
1 43 . 1 1 1 A 11 11 PRO C C 11 176.922 176.681 0.241 1
1 47 . 1 1 1 A 12 12 LEU N N 12 121.245 117.451 3.794 1
1 48 . 1 1 1 A 12 12 LEU H H 12 8.172 8.703 -0.531 1
1 49 . 1 1 1 A 12 12 LEU CA C 12 55.521 56.014 -0.493 1
1 50 . 1 1 1 A 12 12 LEU HA H 12 4.236 3.815 0.421 1
1 51 . 1 1 1 A 12 12 LEU CB C 12 42.138 40.652 1.486 1
1 63 . 1 1 1 A 12 12 LEU C C 12 177.236 176.019 1.217 1
1 65 . 1 1 1 A 13 13 GLN N N 13 120.086 117.546 2.540 1
1 66 . 1 1 1 A 13 13 GLN H H 13 8.098 7.936 0.162 1
1 67 . 1 1 1 A 13 13 GLN CA C 13 55.785 56.598 -0.813 1
1 68 . 1 1 1 A 13 13 GLN HA H 13 4.220 4.227 -0.007 1
1 69 . 1 1 1 A 13 13 GLN CB C 13 29.628 28.960 0.668 1
1 76 . 1 1 1 A 13 13 GLN C C 13 175.243 175.520 -0.277 1
1 79 . 1 1 1 A 14 14 PHE N N 14 120.461 124.412 -3.951 1
1 80 . 1 1 1 A 14 14 PHE H H 14 8.056 8.707 -0.651 1
1 81 . 1 1 1 A 14 14 PHE CA C 14 57.739 57.067 0.672 1
1 82 . 1 1 1 A 14 14 PHE HA H 14 4.545 5.148 -0.603 1
1 83 . 1 1 1 A 14 14 PHE CB C 14 39.825 42.356 -2.531 1
1 95 . 1 1 1 A 14 14 PHE C C 14 175.022 172.724 2.298 1
1 97 . 1 1 1 A 15 15 TYR N N 15 121.213 130.141 -8.928 1
1 98 . 1 1 1 A 15 15 TYR H H 15 8.004 8.961 -0.957 1
1 99 . 1 1 1 A 15 15 TYR CA C 15 57.756 56.464 1.292 1
1 100 . 1 1 1 A 15 15 TYR HA H 15 4.506 5.513 -1.007 1
1 101 . 1 1 1 A 15 15 TYR CB C 15 39.012 41.592 -2.580 1
1 111 . 1 1 1 A 15 15 TYR C C 15 175.174 173.857 1.317 1
1 113 . 1 1 1 A 16 16 VAL N N 16 121.693 127.956 -6.263 1
1 114 . 1 1 1 A 16 16 VAL H H 16 7.900 8.818 -0.918 1
1 115 . 1 1 1 A 16 16 VAL CA C 16 62.248 60.764 1.484 1
1 116 . 1 1 1 A 16 16 VAL HA H 16 3.932 4.529 -0.597 1
1 117 . 1 1 1 A 16 16 VAL CB C 16 33.023 33.664 -0.641 1
1 127 . 1 1 1 A 16 16 VAL C C 16 175.016 174.266 0.750 1
1 128 . 1 1 1 A 17 17 ASN N N 17 121.488 125.257 -3.769 1
1 129 . 1 1 1 A 17 17 ASN H H 17 8.198 8.442 -0.244 1
1 130 . 1 1 1 A 17 17 ASN CA C 17 52.948 51.325 1.623 1
1 131 . 1 1 1 A 17 17 ASN HA H 17 4.630 4.938 -0.308 1
1 132 . 1 1 1 A 17 17 ASN CB C 17 39.289 41.641 -2.352 1
1 137 . 1 1 1 A 17 17 ASN C C 17 174.167 173.109 1.058 1
1 139 . 1 1 1 A 18 18 TYR N N 18 122.069 120.980 1.089 1
1 140 . 1 1 1 A 18 18 TYR H H 18 8.117 8.359 -0.242 1
1 141 . 1 1 1 A 18 18 TYR CA C 18 55.970 56.270 -0.300 1
1 142 . 1 1 1 A 18 18 TYR HA H 18 4.771 4.783 -0.012 1
1 143 . 1 1 1 A 18 18 TYR CB C 18 38.260 39.660 -1.400 1
1 153 . 1 1 1 A 18 18 TYR C C 18 173.978 175.736 -1.758 1
1 155 . 1 1 1 A 19 19 PRO CA C 19 63.378 64.824 -1.446 1
1 156 . 1 1 1 A 19 19 PRO HA H 19 4.414 4.429 -0.015 1
1 157 . 1 1 1 A 19 19 PRO CB C 19 32.018 32.031 -0.013 1
1 163 . 1 1 1 A 19 19 PRO C C 19 176.659 178.118 -1.459 1
1 167 . 1 1 1 A 20 20 ASN N N 20 118.582 117.361 1.221 1
1 168 . 1 1 1 A 20 20 ASN H H 20 8.508 8.937 -0.429 1
1 169 . 1 1 1 A 20 20 ASN CA C 20 53.334 56.668 -3.334 1
1 170 . 1 1 1 A 20 20 ASN HA H 20 4.756 4.488 0.268 1
1 171 . 1 1 1 A 20 20 ASN CB C 20 38.964 38.119 0.845 1
1 176 . 1 1 1 A 20 20 ASN C C 20 175.301 176.261 -0.960 1
1 178 . 1 1 1 A 21 21 SER N N 21 115.989 115.376 0.613 1
1 179 . 1 1 1 A 21 21 SER H H 21 8.360 8.281 0.079 1
1 180 . 1 1 1 A 21 21 SER CA C 21 58.877 57.682 1.195 1
1 181 . 1 1 1 A 21 21 SER HA H 21 4.481 4.928 -0.447 1
1 182 . 1 1 1 A 21 21 SER CB C 21 63.988 63.219 0.769 1
1 184 . 1 1 1 A 21 21 SER C C 21 175.006 173.876 1.130 1
1 186 . 1 1 1 A 22 22 GLY N N 22 110.974 113.895 -2.921 1
1 187 . 1 1 1 A 22 22 GLY H H 22 8.523 8.769 -0.246 1
1 188 . 1 1 1 A 22 22 GLY CA C 22 45.429 44.809 0.620 1
1 189 . 1 1 1 A 22 22 GLY HA3 H 22 4.074 4.261 -0.187 1
1 190 . 1 1 1 A 22 22 GLY C C 22 173.860 172.136 1.724 1
1 191 . 1 1 1 A 22 22 GLY HA2 H 22 4.074 4.253 -0.179 1
1 192 . 1 1 1 A 23 23 SER N N 23 115.179 117.911 -2.732 1
1 193 . 1 1 1 A 23 23 SER H H 23 8.190 8.947 -0.757 1
1 194 . 1 1 1 A 23 23 SER CA C 23 58.233 56.663 1.570 1
1 195 . 1 1 1 A 23 23 SER HA H 23 4.511 5.241 -0.730 1
1 196 . 1 1 1 A 23 23 SER CB C 23 64.511 66.566 -2.055 1
1 198 . 1 1 1 A 23 23 SER C C 23 173.263 173.170 0.093 1
1 200 . 1 1 1 A 24 24 VAL N N 24 122.289 121.221 1.068 1
1 201 . 1 1 1 A 24 24 VAL H H 24 7.889 8.574 -0.685 1
1 202 . 1 1 1 A 24 24 VAL CA C 24 61.754 60.598 1.156 1
1 203 . 1 1 1 A 24 24 VAL HA H 24 4.567 4.835 -0.268 1
1 204 . 1 1 1 A 24 24 VAL CB C 24 33.612 34.176 -0.564 1
1 214 . 1 1 1 A 24 24 VAL C C 24 174.799 174.929 -0.130 1
1 215 . 1 1 1 A 25 25 SER N N 25 118.995 122.732 -3.737 1
1 216 . 1 1 1 A 25 25 SER H H 25 8.244 8.764 -0.520 1
1 217 . 1 1 1 A 25 25 SER CA C 25 57.102 57.257 -0.155 1
1 218 . 1 1 1 A 25 25 SER HA H 25 5.039 5.494 -0.455 1
1 219 . 1 1 1 A 25 25 SER CB C 25 66.338 66.708 -0.370 1
1 221 . 1 1 1 A 25 25 SER C C 25 171.718 172.869 -1.151 1
1 223 . 1 1 1 A 26 26 ALA N N 26 121.537 124.060 -2.523 1
1 224 . 1 1 1 A 26 26 ALA H H 26 8.503 8.855 -0.352 1
1 225 . 1 1 1 A 26 26 ALA CA C 26 50.695 50.932 -0.237 1
1 226 . 1 1 1 A 26 26 ALA HA H 26 5.637 5.312 0.325 1
1 227 . 1 1 1 A 26 26 ALA CB C 26 23.364 22.598 0.766 1
1 231 . 1 1 1 A 26 26 ALA C C 26 175.355 175.337 0.018 1
1 232 . 1 1 1 A 27 27 TYR N N 27 116.588 117.513 -0.925 1
1 233 . 1 1 1 A 27 27 TYR H H 27 8.885 9.020 -0.135 1
1 234 . 1 1 1 A 27 27 TYR CA C 27 57.013 55.776 1.237 1
1 235 . 1 1 1 A 27 27 TYR HA H 27 4.742 5.112 -0.370 1
1 236 . 1 1 1 A 27 27 TYR CB C 27 40.325 41.739 -1.414 1
1 246 . 1 1 1 A 27 27 TYR C C 27 172.990 173.840 -0.850 1
1 248 . 1 1 1 A 28 28 GLY N N 28 108.423 106.444 1.979 1
1 249 . 1 1 1 A 28 28 GLY H H 28 8.475 8.373 0.102 1
1 250 . 1 1 1 A 28 28 GLY CA C 28 44.439 44.525 -0.086 1
1 251 . 1 1 1 A 28 28 GLY HA3 H 28 4.141 4.052 0.089 1
1 252 . 1 1 1 A 28 28 GLY C C 28 173.419 173.885 -0.466 1
1 253 . 1 1 1 A 28 28 GLY HA2 H 28 5.092 3.994 1.098 1
1 254 . 1 1 1 A 29 29 PRO CA C 29 65.537 63.792 1.745 1
1 255 . 1 1 1 A 29 29 PRO HA H 29 4.298 4.119 0.179 1
1 256 . 1 1 1 A 29 29 PRO CB C 29 31.509 31.727 -0.218 1
1 262 . 1 1 1 A 29 29 PRO C C 29 178.493 177.348 1.145 1
1 266 . 1 1 1 A 30 30 GLY N N 30 102.459 106.601 -4.142 1
1 267 . 1 1 1 A 30 30 GLY H H 30 8.655 8.319 0.336 1
1 268 . 1 1 1 A 30 30 GLY CA C 30 46.245 46.146 0.099 1
1 269 . 1 1 1 A 30 30 GLY HA3 H 30 3.417 4.205 -0.788 1
1 270 . 1 1 1 A 30 30 GLY C C 30 172.945 174.863 -1.918 1
1 271 . 1 1 1 A 30 30 GLY HA2 H 30 4.316 4.086 0.230 1
1 272 . 1 1 1 A 31 31 LEU N N 31 116.436 121.054 -4.618 1
1 273 . 1 1 1 A 31 31 LEU H H 31 7.049 7.421 -0.372 1
1 274 . 1 1 1 A 31 31 LEU CA C 31 55.368 55.550 -0.182 1
1 275 . 1 1 1 A 31 31 LEU HA H 31 3.784 4.173 -0.389 1
1 276 . 1 1 1 A 31 31 LEU CB C 31 42.148 42.085 0.063 1
1 288 . 1 1 1 A 31 31 LEU C C 31 175.321 178.319 -2.998 1
1 290 . 1 1 1 A 32 32 VAL N N 32 112.078 116.582 -4.504 1
1 291 . 1 1 1 A 32 32 VAL H H 32 7.739 7.093 0.646 1
1 292 . 1 1 1 A 32 32 VAL CA C 32 62.956 63.697 -0.741 1
1 293 . 1 1 1 A 32 32 VAL HA H 32 4.574 3.817 0.757 1
1 294 . 1 1 1 A 32 32 VAL CB C 32 35.415 32.249 3.166 1
1 304 . 1 1 1 A 32 32 VAL C C 32 176.810 175.852 0.958 1
1 305 . 1 1 1 A 33 33 TYR N N 33 121.116 115.957 5.159 1
1 306 . 1 1 1 A 33 33 TYR H H 33 8.638 7.499 1.139 1
1 307 . 1 1 1 A 33 33 TYR CA C 33 56.523 55.944 0.579 1
1 308 . 1 1 1 A 33 33 TYR HA H 33 5.639 4.997 0.642 1
1 309 . 1 1 1 A 33 33 TYR CB C 33 42.165 41.219 0.946 1
1 319 . 1 1 1 A 33 33 TYR C C 33 172.858 173.841 -0.983 1
1 321 . 1 1 1 A 34 34 GLY N N 34 107.313 106.566 0.747 1
1 322 . 1 1 1 A 34 34 GLY H H 34 7.637 8.592 -0.955 1
1 323 . 1 1 1 A 34 34 GLY CA C 34 44.721 45.809 -1.088 1
1 324 . 1 1 1 A 34 34 GLY HA3 H 34 3.793 4.411 -0.618 1
1 325 . 1 1 1 A 34 34 GLY C C 34 170.727 171.538 -0.811 1
1 326 . 1 1 1 A 34 34 GLY HA2 H 34 3.873 4.368 -0.495 1
1 327 . 1 1 1 A 35 35 VAL N N 35 120.853 119.803 1.050 1
1 328 . 1 1 1 A 35 35 VAL H H 35 8.731 8.316 0.415 1
1 329 . 1 1 1 A 35 35 VAL CA C 35 60.627 60.454 0.173 1
1 330 . 1 1 1 A 35 35 VAL HA H 35 4.589 4.853 -0.264 1
1 331 . 1 1 1 A 35 35 VAL CB C 35 35.374 35.183 0.191 1
1 341 . 1 1 1 A 35 35 VAL C C 35 174.813 175.265 -0.452 1
1 342 . 1 1 1 A 36 36 ALA N N 36 127.708 130.682 -2.974 1
1 343 . 1 1 1 A 36 36 ALA H H 36 8.482 8.886 -0.404 1
1 344 . 1 1 1 A 36 36 ALA CA C 36 53.332 53.324 0.008 1
1 345 . 1 1 1 A 36 36 ALA HA H 36 3.535 4.066 -0.531 1
1 346 . 1 1 1 A 36 36 ALA CB C 36 17.653 18.625 -0.972 1
1 350 . 1 1 1 A 36 36 ALA C C 36 176.968 178.134 -1.166 1
1 351 . 1 1 1 A 37 37 ASN N N 37 111.234 116.443 -5.209 1
1 352 . 1 1 1 A 37 37 ASN H H 37 9.147 9.023 0.124 1
1 353 . 1 1 1 A 37 37 ASN CA C 37 55.728 54.340 1.388 1
1 354 . 1 1 1 A 37 37 ASN HA H 37 3.962 4.229 -0.267 1
1 355 . 1 1 1 A 37 37 ASN CB C 37 37.147 37.194 -0.047 1
1 360 . 1 1 1 A 37 37 ASN C C 37 173.119 173.635 -0.516 1
1 362 . 1 1 1 A 38 38 LYS N N 38 119.100 117.934 1.166 1
1 363 . 1 1 1 A 38 38 LYS H H 38 7.972 7.288 0.684 1
1 364 . 1 1 1 A 38 38 LYS CA C 38 54.306 55.108 -0.802 1
1 365 . 1 1 1 A 38 38 LYS HA H 38 4.606 4.909 -0.303 1
1 366 . 1 1 1 A 38 38 LYS CB C 38 34.799 35.582 -0.783 1
1 374 . 1 1 1 A 38 38 LYS C C 38 175.533 174.622 0.911 1
1 379 . 1 1 1 A 39 39 THR N N 39 114.730 116.685 -1.955 1
1 380 . 1 1 1 A 39 39 THR H H 39 8.158 8.465 -0.307 1
1 381 . 1 1 1 A 39 39 THR CA C 39 63.302 62.225 1.077 1
1 382 . 1 1 1 A 39 39 THR HA H 39 4.138 4.169 -0.031 1
1 383 . 1 1 1 A 39 39 THR CB C 39 69.652 69.240 0.412 1
1 389 . 1 1 1 A 39 39 THR C C 39 174.281 174.270 0.011 1
1 390 . 1 1 1 A 40 40 ALA N N 40 129.891 125.898 3.993 1
1 391 . 1 1 1 A 40 40 ALA H H 40 8.750 8.103 0.647 1
1 392 . 1 1 1 A 40 40 ALA CA C 40 50.399 50.974 -0.575 1
1 393 . 1 1 1 A 40 40 ALA HA H 40 4.702 5.143 -0.441 1
1 394 . 1 1 1 A 40 40 ALA CB C 40 20.495 22.310 -1.815 1
1 398 . 1 1 1 A 40 40 ALA C C 40 176.039 175.359 0.680 1
1 399 . 1 1 1 A 41 41 THR N N 41 112.902 116.675 -3.773 1
1 400 . 1 1 1 A 41 41 THR H H 41 8.536 8.779 -0.243 1
1 401 . 1 1 1 A 41 41 THR CA C 41 59.688 59.838 -0.150 1
1 402 . 1 1 1 A 41 41 THR HA H 41 5.779 5.133 0.646 1
1 403 . 1 1 1 A 41 41 THR CB C 41 72.348 71.566 0.782 1
1 409 . 1 1 1 A 41 41 THR C C 41 173.286 172.519 0.767 1
1 410 . 1 1 1 A 42 42 PHE N N 42 119.525 119.630 -0.105 1
1 411 . 1 1 1 A 42 42 PHE H H 42 8.825 8.148 0.677 1
1 412 . 1 1 1 A 42 42 PHE CA C 42 57.031 55.491 1.540 1
1 413 . 1 1 1 A 42 42 PHE HA H 42 5.013 5.346 -0.333 1
1 414 . 1 1 1 A 42 42 PHE CB C 42 40.155 42.267 -2.112 1
1 426 . 1 1 1 A 42 42 PHE C C 42 171.282 172.295 -1.013 1
1 428 . 1 1 1 A 43 43 THR N N 43 117.427 114.661 2.766 1
1 429 . 1 1 1 A 43 43 THR H H 43 9.210 8.372 0.838 1
1 430 . 1 1 1 A 43 43 THR CA C 43 62.250 61.121 1.129 1
1 431 . 1 1 1 A 43 43 THR HA H 43 4.987 5.165 -0.178 1
1 432 . 1 1 1 A 43 43 THR CB C 43 71.510 71.689 -0.179 1
1 438 . 1 1 1 A 43 43 THR C C 43 173.061 173.490 -0.429 1
1 439 . 1 1 1 A 44 44 ILE N N 44 123.638 124.170 -0.532 1
1 440 . 1 1 1 A 44 44 ILE H H 44 8.859 8.377 0.482 1
1 441 . 1 1 1 A 44 44 ILE CA C 44 59.843 60.103 -0.260 1
1 442 . 1 1 1 A 44 44 ILE HA H 44 4.824 4.781 0.043 1
1 443 . 1 1 1 A 44 44 ILE CB C 44 40.866 42.256 -1.390 1
1 455 . 1 1 1 A 44 44 ILE C C 44 174.707 174.805 -0.098 1
1 457 . 1 1 1 A 45 45 VAL N N 45 128.904 129.066 -0.162 1
1 458 . 1 1 1 A 45 45 VAL H H 45 9.299 8.918 0.381 1
1 459 . 1 1 1 A 45 45 VAL CA C 45 62.119 62.197 -0.078 1
1 460 . 1 1 1 A 45 45 VAL HA H 45 4.492 4.595 -0.103 1
1 461 . 1 1 1 A 45 45 VAL CB C 45 32.683 32.255 0.428 1
1 471 . 1 1 1 A 45 45 VAL C C 45 175.606 175.637 -0.031 1
1 472 . 1 1 1 A 46 46 THR N N 46 117.412 119.439 -2.027 1
1 473 . 1 1 1 A 46 46 THR H H 46 8.434 8.660 -0.226 1
1 474 . 1 1 1 A 46 46 THR CA C 46 60.650 61.744 -1.094 1
1 475 . 1 1 1 A 46 46 THR HA H 46 4.505 4.734 -0.229 1
1 476 . 1 1 1 A 46 46 THR CB C 46 69.432 71.364 -1.932 1
1 482 . 1 1 1 A 46 46 THR C C 46 174.882 172.467 2.415 1
1 483 . 1 1 1 A 47 47 GLU N N 47 122.657 126.444 -3.787 1
1 484 . 1 1 1 A 47 47 GLU H H 47 8.052 8.772 -0.720 1
1 485 . 1 1 1 A 47 47 GLU CA C 47 57.419 54.797 2.622 1
1 486 . 1 1 1 A 47 47 GLU HA H 47 4.231 4.760 -0.529 1
1 487 . 1 1 1 A 47 47 GLU CB C 47 30.281 32.383 -2.102 1
1 491 . 1 1 1 A 47 47 GLU C C 47 175.887 175.740 0.147 1
1 494 . 1 1 1 A 48 48 ASP N N 48 120.269 123.632 -3.363 1
1 495 . 1 1 1 A 48 48 ASP H H 48 8.536 8.975 -0.439 1
1 496 . 1 1 1 A 48 48 ASP CA C 48 54.396 55.272 -0.876 1
1 497 . 1 1 1 A 48 48 ASP HA H 48 4.638 4.290 0.348 1
1 498 . 1 1 1 A 48 48 ASP CB C 48 40.979 39.041 1.938 1
1 500 . 1 1 1 A 48 48 ASP C C 48 175.709 175.918 -0.209 1
1 502 . 1 1 1 A 49 49 ALA N N 49 122.506 119.806 2.700 1
1 503 . 1 1 1 A 49 49 ALA H H 49 8.109 8.316 -0.207 1
1 504 . 1 1 1 A 49 49 ALA CA C 49 52.774 53.341 -0.567 1
1 505 . 1 1 1 A 49 49 ALA HA H 49 4.195 4.209 -0.014 1
1 506 . 1 1 1 A 49 49 ALA CB C 49 19.343 19.667 -0.324 1
1 510 . 1 1 1 A 49 49 ALA C C 49 178.316 177.794 0.522 1
1 511 . 1 1 1 A 50 50 GLY N N 50 107.563 103.415 4.148 1
1 512 . 1 1 1 A 50 50 GLY H H 50 8.269 7.563 0.706 1
1 513 . 1 1 1 A 50 50 GLY CA C 50 45.288 45.239 0.049 1
1 514 . 1 1 1 A 50 50 GLY HA3 H 50 3.993 4.129 -0.136 1
1 515 . 1 1 1 A 50 50 GLY C C 50 174.421 172.459 1.962 1
1 516 . 1 1 1 A 50 50 GLY HA2 H 50 3.993 4.106 -0.113 1
1 517 . 1 1 1 A 51 51 GLU N N 51 121.358 122.869 -1.511 1
1 518 . 1 1 1 A 51 51 GLU H H 51 8.519 8.627 -0.108 1
1 519 . 1 1 1 A 51 51 GLU CA C 51 56.890 56.233 0.657 1
1 520 . 1 1 1 A 51 51 GLU HA H 51 4.309 4.339 -0.030 1
1 521 . 1 1 1 A 51 51 GLU CB C 51 30.204 29.493 0.711 1
1 525 . 1 1 1 A 51 51 GLU C C 51 177.003 176.187 0.816 1
1 528 . 1 1 1 A 52 52 GLY N N 52 109.575 113.147 -3.572 1
1 529 . 1 1 1 A 52 52 GLY H H 52 8.349 8.218 0.131 1
1 530 . 1 1 1 A 52 52 GLY CA C 52 45.571 45.405 0.166 1
1 531 . 1 1 1 A 52 52 GLY HA3 H 52 3.895 3.949 -0.054 1
1 532 . 1 1 1 A 52 52 GLY C C 52 173.666 173.849 -0.183 1
1 533 . 1 1 1 A 52 52 GLY HA2 H 52 3.810 3.904 -0.094 1
1 534 . 1 1 1 A 53 53 GLY N N 53 106.657 105.866 0.791 1
1 535 . 1 1 1 A 53 53 GLY H H 53 7.893 7.211 0.682 1
1 536 . 1 1 1 A 53 53 GLY CA C 53 45.199 45.592 -0.393 1
1 537 . 1 1 1 A 53 53 GLY HA3 H 53 3.613 3.994 -0.381 1
1 538 . 1 1 1 A 53 53 GLY C C 53 173.414 171.915 1.499 1
1 539 . 1 1 1 A 53 53 GLY HA2 H 53 4.036 3.988 0.048 1
1 540 . 1 1 1 A 54 54 LEU N N 54 124.121 125.898 -1.777 1
1 541 . 1 1 1 A 54 54 LEU H H 54 8.241 8.656 -0.415 1
1 542 . 1 1 1 A 54 54 LEU CA C 54 54.528 54.112 0.416 1
1 543 . 1 1 1 A 54 54 LEU HA H 54 5.056 4.754 0.302 1
1 544 . 1 1 1 A 54 54 LEU CB C 54 44.325 43.792 0.533 1
1 556 . 1 1 1 A 54 54 LEU C C 54 176.080 174.388 1.692 1
1 558 . 1 1 1 A 55 55 ASP N N 55 126.024 125.774 0.250 1
1 559 . 1 1 1 A 55 55 ASP H H 55 8.981 8.617 0.364 1
1 560 . 1 1 1 A 55 55 ASP CA C 55 54.095 52.515 1.580 1
1 561 . 1 1 1 A 55 55 ASP HA H 55 4.879 5.334 -0.455 1
1 562 . 1 1 1 A 55 55 ASP CB C 55 44.582 44.010 0.572 1
1 564 . 1 1 1 A 55 55 ASP C C 55 173.601 174.931 -1.330 1
1 566 . 1 1 1 A 56 56 LEU N N 56 125.098 123.447 1.651 1
1 567 . 1 1 1 A 56 56 LEU H H 56 8.300 9.152 -0.852 1
1 568 . 1 1 1 A 56 56 LEU CA C 56 53.221 53.458 -0.237 1
1 569 . 1 1 1 A 56 56 LEU HA H 56 5.422 5.278 0.144 1
1 570 . 1 1 1 A 56 56 LEU CB C 56 46.028 45.569 0.459 1
1 582 . 1 1 1 A 56 56 LEU C C 56 175.700 175.462 0.238 1
1 584 . 1 1 1 A 57 57 ALA N N 57 125.664 123.753 1.911 1
1 585 . 1 1 1 A 57 57 ALA H H 57 8.840 8.715 0.125 1
1 586 . 1 1 1 A 57 57 ALA CA C 57 51.851 51.851 0.000 1
1 587 . 1 1 1 A 57 57 ALA HA H 57 4.600 5.038 -0.438 1
1 588 . 1 1 1 A 57 57 ALA CB C 57 22.862 22.295 0.567 1
1 592 . 1 1 1 A 57 57 ALA C C 57 174.504 176.060 -1.556 1
1 593 . 1 1 1 A 58 58 ILE N N 58 119.429 123.214 -3.785 1
1 594 . 1 1 1 A 58 58 ILE H H 58 8.617 8.761 -0.144 1
1 595 . 1 1 1 A 58 58 ILE CA C 58 60.143 59.507 0.636 1
1 596 . 1 1 1 A 58 58 ILE HA H 58 5.272 5.088 0.184 1
1 597 . 1 1 1 A 58 58 ILE CB C 58 41.068 40.587 0.481 1
1 609 . 1 1 1 A 58 58 ILE C C 58 175.328 175.068 0.260 1
1 611 . 1 1 1 A 59 59 GLU N N 59 128.665 123.516 5.149 1
1 612 . 1 1 1 A 59 59 GLU H H 59 9.315 8.999 0.316 1
1 613 . 1 1 1 A 59 59 GLU CA C 59 54.166 54.856 -0.690 1
1 614 . 1 1 1 A 59 59 GLU HA H 59 4.920 5.197 -0.277 1
1 615 . 1 1 1 A 59 59 GLU CB C 59 32.698 33.355 -0.657 1
1 619 . 1 1 1 A 59 59 GLU C C 59 175.108 175.755 -0.647 1
1 622 . 1 1 1 A 60 60 GLY N N 60 110.929 108.791 2.138 1
1 623 . 1 1 1 A 60 60 GLY H H 60 8.427 8.359 0.068 1
1 624 . 1 1 1 A 60 60 GLY CA C 60 45.608 45.079 0.529 1
1 625 . 1 1 1 A 60 60 GLY HA3 H 60 3.927 4.170 -0.243 1
1 626 . 1 1 1 A 60 60 GLY C C 60 171.379 174.164 -2.785 1
1 627 . 1 1 1 A 60 60 GLY HA2 H 60 3.531 4.026 -0.495 1
1 628 . 1 1 1 A 61 61 PRO CA C 61 64.103 63.931 0.172 1
1 629 . 1 1 1 A 61 61 PRO HA H 61 4.270 4.454 -0.184 1
1 630 . 1 1 1 A 61 61 PRO CB C 61 32.206 31.869 0.337 1
1 636 . 1 1 1 A 61 61 PRO C C 61 176.075 176.001 0.074 1
1 640 . 1 1 1 A 62 62 SER N N 62 108.474 112.277 -3.803 1
1 641 . 1 1 1 A 62 62 SER H H 62 7.099 7.559 -0.460 1
1 642 . 1 1 1 A 62 62 SER CA C 62 56.398 57.216 -0.818 1
1 643 . 1 1 1 A 62 62 SER HA H 62 4.655 4.775 -0.120 1
1 644 . 1 1 1 A 62 62 SER CB C 62 67.457 65.511 1.946 1
1 646 . 1 1 1 A 62 62 SER C C 62 172.805 172.880 -0.075 1
1 648 . 1 1 1 A 63 63 LYS N N 63 122.679 126.847 -4.168 1
1 649 . 1 1 1 A 63 63 LYS H H 63 8.653 8.399 0.254 1
1 650 . 1 1 1 A 63 63 LYS CA C 63 55.822 56.981 -1.159 1
1 651 . 1 1 1 A 63 63 LYS HA H 63 4.449 4.417 0.032 1
1 652 . 1 1 1 A 63 63 LYS CB C 63 31.384 32.901 -1.517 1
1 660 . 1 1 1 A 63 63 LYS C C 63 175.601 175.851 -0.250 1
1 665 . 1 1 1 A 64 64 ALA N N 64 130.710 128.943 1.767 1
1 666 . 1 1 1 A 64 64 ALA H H 64 8.690 8.934 -0.244 1
1 667 . 1 1 1 A 64 64 ALA CA C 64 51.425 50.005 1.420 1
1 668 . 1 1 1 A 64 64 ALA HA H 64 4.578 5.255 -0.677 1
1 669 . 1 1 1 A 64 64 ALA CB C 64 19.803 21.985 -2.182 1
1 673 . 1 1 1 A 64 64 ALA C C 64 176.395 176.254 0.141 1
1 674 . 1 1 1 A 65 65 GLU N N 65 123.534 121.250 2.284 1
1 675 . 1 1 1 A 65 65 GLU H H 65 8.397 8.540 -0.143 1
1 676 . 1 1 1 A 65 65 GLU CA C 65 56.854 56.613 0.241 1
1 677 . 1 1 1 A 65 65 GLU HA H 65 4.278 4.693 -0.415 1
1 678 . 1 1 1 A 65 65 GLU CB C 65 30.346 31.141 -0.795 1
1 682 . 1 1 1 A 65 65 GLU C C 65 176.381 175.921 0.460 1
1 685 . 1 1 1 A 66 66 ILE N N 66 124.380 121.608 2.772 1
1 686 . 1 1 1 A 66 66 ILE H H 66 8.541 8.682 -0.141 1
1 687 . 1 1 1 A 66 66 ILE CA C 66 60.568 60.194 0.374 1
1 688 . 1 1 1 A 66 66 ILE HA H 66 4.865 4.871 -0.006 1
1 689 . 1 1 1 A 66 66 ILE CB C 66 41.804 41.714 0.090 1
1 701 . 1 1 1 A 66 66 ILE C C 66 175.421 175.158 0.263 1
1 703 . 1 1 1 A 67 67 SER N N 67 122.057 123.238 -1.181 1
1 704 . 1 1 1 A 67 67 SER H H 67 9.035 8.611 0.424 1
1 705 . 1 1 1 A 67 67 SER CA C 67 56.908 56.978 -0.070 1
1 706 . 1 1 1 A 67 67 SER HA H 67 4.729 4.756 -0.027 1
1 707 . 1 1 1 A 67 67 SER CB C 67 64.980 64.122 0.858 1
1 709 . 1 1 1 A 67 67 SER C C 67 172.294 173.313 -1.019 1
1 711 . 1 1 1 A 68 68 CYS N N 68 124.699 119.819 4.880 1
1 712 . 1 1 1 A 68 68 CYS H H 68 8.732 7.505 1.227 1
1 713 . 1 1 1 A 68 68 CYS CA C 68 57.310 60.102 -2.792 1
1 714 . 1 1 1 A 68 68 CYS HA H 68 5.038 4.278 0.760 1
1 715 . 1 1 1 A 68 68 CYS CB C 68 28.380 28.107 0.273 1
1 717 . 1 1 1 A 68 68 CYS C C 68 173.135 174.715 -1.580 1
1 719 . 1 1 1 A 69 69 ILE N N 69 128.680 123.243 5.437 1
1 720 . 1 1 1 A 69 69 ILE H H 69 8.757 8.526 0.231 1
1 721 . 1 1 1 A 69 69 ILE CA C 69 59.153 59.657 -0.504 1
1 722 . 1 1 1 A 69 69 ILE HA H 69 4.350 4.685 -0.335 1
1 723 . 1 1 1 A 69 69 ILE CB C 69 40.750 41.648 -0.898 1
1 735 . 1 1 1 A 69 69 ILE C C 69 174.363 173.885 0.478 1
1 737 . 1 1 1 A 70 70 ASP N N 70 126.290 127.866 -1.576 1
1 738 . 1 1 1 A 70 70 ASP H H 70 8.596 8.814 -0.218 1
1 739 . 1 1 1 A 70 70 ASP CA C 70 53.671 52.793 0.878 1
1 740 . 1 1 1 A 70 70 ASP HA H 70 4.892 5.249 -0.357 1
1 741 . 1 1 1 A 70 70 ASP CB C 70 41.069 42.933 -1.864 1
1 743 . 1 1 1 A 70 70 ASP C C 70 176.812 174.823 1.989 1
1 745 . 1 1 1 A 71 71 ASN N N 71 125.163 124.428 0.735 1
1 746 . 1 1 1 A 71 71 ASN H H 71 8.745 8.978 -0.233 1
1 747 . 1 1 1 A 71 71 ASN CA C 71 54.626 52.044 2.582 1
1 748 . 1 1 1 A 71 71 ASN HA H 71 4.647 5.195 -0.548 1
1 749 . 1 1 1 A 71 71 ASN CB C 71 38.688 41.569 -2.881 1
1 754 . 1 1 1 A 71 71 ASN C C 71 175.657 174.449 1.208 1
1 756 . 1 1 1 A 72 72 LYS N N 72 114.425 118.475 -4.050 1
1 757 . 1 1 1 A 72 72 LYS H H 72 9.407 8.414 0.993 1
1 758 . 1 1 1 A 72 72 LYS CA C 72 57.535 55.189 2.346 1
1 759 . 1 1 1 A 72 72 LYS HA H 72 4.028 4.725 -0.697 1
1 760 . 1 1 1 A 72 72 LYS CB C 72 28.393 32.322 -3.929 1
1 768 . 1 1 1 A 72 72 LYS C C 72 175.123 176.979 -1.856 1
1 773 . 1 1 1 A 73 73 ASP N N 73 117.581 119.849 -2.268 1
1 774 . 1 1 1 A 73 73 ASP H H 73 7.881 8.254 -0.373 1
1 775 . 1 1 1 A 73 73 ASP CA C 73 52.274 55.387 -3.113 1
1 776 . 1 1 1 A 73 73 ASP HA H 73 4.769 4.745 0.024 1
1 777 . 1 1 1 A 73 73 ASP CB C 73 41.210 43.079 -1.869 1
1 779 . 1 1 1 A 73 73 ASP C C 73 177.197 176.822 0.375 1
1 781 . 1 1 1 A 74 74 GLY N N 74 109.385 106.192 3.193 1
1 782 . 1 1 1 A 74 74 GLY H H 74 8.781 7.595 1.186 1
1 783 . 1 1 1 A 74 74 GLY CA C 74 45.179 45.578 -0.399 1
1 784 . 1 1 1 A 74 74 GLY HA3 H 74 3.673 4.037 -0.364 1
1 785 . 1 1 1 A 74 74 GLY C C 74 173.671 173.464 0.207 1
1 786 . 1 1 1 A 74 74 GLY HA2 H 74 4.469 4.035 0.434 1
1 787 . 1 1 1 A 75 75 THR N N 75 110.220 110.072 0.148 1
1 788 . 1 1 1 A 75 75 THR H H 75 8.179 8.013 0.166 1
1 789 . 1 1 1 A 75 75 THR CA C 75 59.843 59.525 0.318 1
1 790 . 1 1 1 A 75 75 THR HA H 75 5.678 5.005 0.673 1
1 791 . 1 1 1 A 75 75 THR CB C 75 73.810 72.538 1.272 1
1 797 . 1 1 1 A 75 75 THR C C 75 173.912 172.973 0.939 1
1 798 . 1 1 1 A 76 76 CYS N N 76 117.252 121.099 -3.847 1
1 799 . 1 1 1 A 76 76 CYS H H 76 9.295 8.214 1.081 1
1 800 . 1 1 1 A 76 76 CYS CA C 76 56.716 57.772 -1.056 1
1 801 . 1 1 1 A 76 76 CYS HA H 76 5.517 5.145 0.372 1
1 802 . 1 1 1 A 76 76 CYS CB C 76 31.176 30.014 1.162 1
1 804 . 1 1 1 A 76 76 CYS C C 76 174.083 173.587 0.496 1
1 806 . 1 1 1 A 77 77 THR N N 77 121.477 118.538 2.939 1
1 807 . 1 1 1 A 77 77 THR H H 77 9.137 8.406 0.731 1
1 808 . 1 1 1 A 77 77 THR CA C 77 62.565 61.522 1.043 1
1 809 . 1 1 1 A 77 77 THR HA H 77 4.592 5.004 -0.412 1
1 810 . 1 1 1 A 77 77 THR CB C 77 70.447 70.757 -0.310 1
1 816 . 1 1 1 A 77 77 THR C C 77 173.469 173.525 -0.056 1
1 817 . 1 1 1 A 78 78 VAL N N 78 131.586 127.319 4.267 1
1 818 . 1 1 1 A 78 78 VAL H H 78 9.099 8.224 0.875 1
1 819 . 1 1 1 A 78 78 VAL CA C 78 60.604 60.115 0.489 1
1 820 . 1 1 1 A 78 78 VAL HA H 78 4.672 4.694 -0.022 1
1 821 . 1 1 1 A 78 78 VAL CB C 78 32.061 33.160 -1.099 1
1 831 . 1 1 1 A 78 78 VAL C C 78 174.618 174.417 0.201 1
1 832 . 1 1 1 A 79 79 THR N N 79 120.071 123.124 -3.053 1
1 833 . 1 1 1 A 79 79 THR H H 79 8.782 8.842 -0.060 1
1 834 . 1 1 1 A 79 79 THR CA C 79 59.685 61.856 -2.171 1
1 835 . 1 1 1 A 79 79 THR HA H 79 5.424 5.118 0.306 1
1 836 . 1 1 1 A 79 79 THR CB C 79 71.374 70.795 0.579 1
1 842 . 1 1 1 A 79 79 THR C C 79 173.250 173.598 -0.348 1
1 843 . 1 1 1 A 80 80 TYR N N 80 120.212 121.390 -1.178 1
1 844 . 1 1 1 A 80 80 TYR H H 80 9.132 8.740 0.392 1
1 845 . 1 1 1 A 80 80 TYR CA C 80 55.554 55.922 -0.368 1
1 846 . 1 1 1 A 80 80 TYR HA H 80 5.686 5.542 0.144 1
1 847 . 1 1 1 A 80 80 TYR CB C 80 42.143 41.933 0.210 1
1 857 . 1 1 1 A 80 80 TYR C C 80 172.856 172.585 0.271 1
1 859 . 1 1 1 A 81 81 LEU N N 81 121.355 123.014 -1.659 1
1 860 . 1 1 1 A 81 81 LEU H H 81 7.729 8.782 -1.053 1
1 861 . 1 1 1 A 81 81 LEU CA C 81 50.912 51.100 -0.188 1
1 862 . 1 1 1 A 81 81 LEU HA H 81 4.991 4.479 0.512 1
1 863 . 1 1 1 A 81 81 LEU CB C 81 43.636 45.395 -1.759 1
1 875 . 1 1 1 A 81 81 LEU C C 81 172.982 174.968 -1.986 1
1 877 . 1 1 1 A 82 82 PRO CA C 82 61.629 62.492 -0.863 1
1 878 . 1 1 1 A 82 82 PRO HA H 82 4.587 4.804 -0.217 1
1 879 . 1 1 1 A 82 82 PRO CB C 82 32.091 33.320 -1.229 1
1 885 . 1 1 1 A 82 82 PRO C C 82 177.683 176.817 0.866 1
1 889 . 1 1 1 A 83 83 THR N N 83 112.637 113.498 -0.861 1
1 890 . 1 1 1 A 83 83 THR H H 83 8.438 8.477 -0.039 1
1 891 . 1 1 1 A 83 83 THR CA C 83 62.207 62.819 -0.612 1
1 892 . 1 1 1 A 83 83 THR HA H 83 4.305 4.494 -0.189 1
1 893 . 1 1 1 A 83 83 THR CB C 83 69.155 70.291 -1.136 1
1 899 . 1 1 1 A 83 83 THR C C 83 173.582 174.368 -0.786 1
1 900 . 1 1 1 A 84 84 LEU N N 84 118.186 119.880 -1.694 1
1 901 . 1 1 1 A 84 84 LEU H H 84 6.839 7.602 -0.763 1
1 902 . 1 1 1 A 84 84 LEU CA C 84 51.513 51.564 -0.051 1
1 903 . 1 1 1 A 84 84 LEU HA H 84 4.976 4.898 0.078 1
1 904 . 1 1 1 A 84 84 LEU CB C 84 45.838 45.550 0.288 1
1 916 . 1 1 1 A 84 84 LEU C C 84 175.119 174.415 0.704 1
1 918 . 1 1 1 A 85 85 PRO CA C 85 62.660 63.223 -0.563 1
1 919 . 1 1 1 A 85 85 PRO HA H 85 4.347 4.749 -0.402 1
1 920 . 1 1 1 A 85 85 PRO CB C 85 32.801 31.962 0.839 1
1 926 . 1 1 1 A 85 85 PRO C C 85 174.117 176.039 -1.922 1
1 930 . 1 1 1 A 86 86 GLY N N 86 106.704 108.009 -1.305 1
1 931 . 1 1 1 A 86 86 GLY H H 86 9.065 8.131 0.934 1
1 932 . 1 1 1 A 86 86 GLY CA C 86 44.520 45.130 -0.610 1
1 933 . 1 1 1 A 86 86 GLY HA3 H 86 3.838 4.146 -0.308 1
1 934 . 1 1 1 A 86 86 GLY C C 86 171.468 171.688 -0.220 1
1 935 . 1 1 1 A 86 86 GLY HA2 H 86 4.408 4.056 0.352 1
1 936 . 1 1 1 A 87 87 ASP N N 87 120.573 120.533 0.040 1
1 937 . 1 1 1 A 87 87 ASP H H 87 8.275 8.387 -0.112 1
1 938 . 1 1 1 A 87 87 ASP CA C 87 53.500 54.859 -1.359 1
1 939 . 1 1 1 A 87 87 ASP HA H 87 5.498 4.755 0.743 1
1 940 . 1 1 1 A 87 87 ASP CB C 87 40.877 41.447 -0.570 1
1 942 . 1 1 1 A 87 87 ASP C C 87 176.069 174.611 1.458 1
1 944 . 1 1 1 A 88 88 TYR N N 88 124.115 127.558 -3.443 1
1 945 . 1 1 1 A 88 88 TYR H H 88 9.510 8.969 0.541 1
1 946 . 1 1 1 A 88 88 TYR CA C 88 56.667 57.480 -0.813 1
1 947 . 1 1 1 A 88 88 TYR HA H 88 4.983 5.139 -0.156 1
1 948 . 1 1 1 A 88 88 TYR CB C 88 39.633 40.366 -0.733 1
1 958 . 1 1 1 A 88 88 TYR C C 88 174.533 175.275 -0.742 1
1 960 . 1 1 1 A 89 89 SER N N 89 118.331 120.868 -2.537 1
1 961 . 1 1 1 A 89 89 SER H H 89 9.200 9.137 0.063 1
1 962 . 1 1 1 A 89 89 SER CA C 89 56.737 58.136 -1.399 1
1 963 . 1 1 1 A 89 89 SER HA H 89 5.346 4.828 0.518 1
1 964 . 1 1 1 A 89 89 SER CB C 89 64.421 62.874 1.547 1
1 966 . 1 1 1 A 89 89 SER C C 89 173.462 173.611 -0.149 1
1 968 . 1 1 1 A 90 90 ILE N N 90 127.805 126.885 0.920 1
1 969 . 1 1 1 A 90 90 ILE H H 90 9.536 8.313 1.223 1
1 970 . 1 1 1 A 90 90 ILE CA C 90 61.209 61.564 -0.355 1
1 971 . 1 1 1 A 90 90 ILE HA H 90 4.505 4.412 0.093 1
1 972 . 1 1 1 A 90 90 ILE CB C 90 39.225 37.786 1.439 1
1 984 . 1 1 1 A 90 90 ILE C C 90 174.259 175.363 -1.104 1
1 986 . 1 1 1 A 91 91 LEU N N 91 129.968 127.191 2.777 1
1 987 . 1 1 1 A 91 91 LEU H H 91 9.354 8.783 0.571 1
1 988 . 1 1 1 A 91 91 LEU CA C 91 55.510 53.324 2.186 1
1 989 . 1 1 1 A 91 91 LEU HA H 91 4.774 5.336 -0.562 1
1 990 . 1 1 1 A 91 91 LEU CB C 91 42.674 44.979 -2.305 1
1 1002 . 1 1 1 A 91 91 LEU C C 91 175.517 175.722 -0.205 1
1 1004 . 1 1 1 A 92 92 VAL N N 92 124.859 123.922 0.937 1
1 1005 . 1 1 1 A 92 92 VAL H H 92 9.431 8.977 0.454 1
1 1006 . 1 1 1 A 92 92 VAL CA C 92 61.488 60.876 0.612 1
1 1007 . 1 1 1 A 92 92 VAL HA H 92 4.626 4.724 -0.098 1
1 1008 . 1 1 1 A 92 92 VAL CB C 92 33.437 35.114 -1.677 1
1 1018 . 1 1 1 A 92 92 VAL C C 92 173.589 174.341 -0.752 1
1 1019 . 1 1 1 A 93 93 LYS N N 93 123.909 126.183 -2.274 1
1 1020 . 1 1 1 A 93 93 LYS H H 93 8.660 8.708 -0.048 1
1 1021 . 1 1 1 A 93 93 LYS CA C 93 53.953 54.083 -0.130 1
1 1022 . 1 1 1 A 93 93 LYS HA H 93 5.017 4.915 0.102 1
1 1023 . 1 1 1 A 93 93 LYS CB C 93 36.475 35.676 0.799 1
1 1031 . 1 1 1 A 93 93 LYS C C 93 174.746 174.622 0.124 1
1 1036 . 1 1 1 A 94 94 TYR N N 94 120.499 123.085 -2.586 1
1 1037 . 1 1 1 A 94 94 TYR H H 94 8.821 9.364 -0.543 1
1 1038 . 1 1 1 A 94 94 TYR CA C 94 56.438 57.576 -1.138 1
1 1039 . 1 1 1 A 94 94 TYR HA H 94 5.161 4.922 0.239 1
1 1040 . 1 1 1 A 94 94 TYR CB C 94 41.931 41.629 0.302 1
1 1050 . 1 1 1 A 94 94 TYR C C 94 176.635 174.939 1.696 1
1 1052 . 1 1 1 A 95 95 ASN N N 95 128.155 125.804 2.351 1
1 1053 . 1 1 1 A 95 95 ASN H H 95 8.872 8.876 -0.004 1
1 1054 . 1 1 1 A 95 95 ASN CA C 95 54.360 54.627 -0.267 1
1 1055 . 1 1 1 A 95 95 ASN HA H 95 4.215 4.350 -0.135 1
1 1056 . 1 1 1 A 95 95 ASN CB C 95 36.735 36.881 -0.146 1
1 1061 . 1 1 1 A 95 95 ASN C C 95 174.592 174.942 -0.350 1
1 1063 . 1 1 1 A 96 96 ASP N N 96 110.440 116.326 -5.886 1
1 1064 . 1 1 1 A 96 96 ASP H H 96 9.304 8.524 0.780 1
1 1065 . 1 1 1 A 96 96 ASP CA C 96 55.920 55.430 0.490 1
1 1066 . 1 1 1 A 96 96 ASP HA H 96 4.030 4.248 -0.218 1
1 1067 . 1 1 1 A 96 96 ASP CB C 96 40.704 40.048 0.656 1
1 1069 . 1 1 1 A 96 96 ASP C C 96 174.657 174.778 -0.121 1
1 1071 . 1 1 1 A 97 97 LYS N N 97 118.806 117.579 1.227 1
1 1072 . 1 1 1 A 97 97 LYS H H 97 7.482 7.567 -0.085 1
1 1073 . 1 1 1 A 97 97 LYS CA C 97 54.378 54.877 -0.499 1
1 1074 . 1 1 1 A 97 97 LYS HA H 97 4.715 4.789 -0.074 1
1 1075 . 1 1 1 A 97 97 LYS CB C 97 35.127 35.156 -0.029 1
1 1083 . 1 1 1 A 97 97 LYS C C 97 176.499 175.815 0.684 1
1 1088 . 1 1 1 A 98 98 HIS N N 98 124.063 123.448 0.615 1
1 1089 . 1 1 1 A 98 98 HIS H H 98 8.795 8.836 -0.041 1
1 1090 . 1 1 1 A 98 98 HIS CA C 98 58.870 56.854 2.016 1
1 1091 . 1 1 1 A 98 98 HIS HA H 98 4.496 4.566 -0.070 1
1 1092 . 1 1 1 A 98 98 HIS CB C 98 32.178 30.389 1.789 1
1 1098 . 1 1 1 A 98 98 HIS C C 98 177.720 175.682 2.038 1
1 1100 . 1 1 1 A 99 99 ILE N N 99 120.049 118.724 1.325 1
1 1101 . 1 1 1 A 99 99 ILE H H 99 8.380 8.127 0.253 1
1 1102 . 1 1 1 A 99 99 ILE CA C 99 60.674 59.171 1.503 1
1 1103 . 1 1 1 A 99 99 ILE HA H 99 4.696 4.623 0.073 1
1 1104 . 1 1 1 A 99 99 ILE CB C 99 35.539 38.302 -2.763 1
1 1116 . 1 1 1 A 99 99 ILE C C 99 173.419 174.445 -1.026 1
1 1118 . 1 1 1 A 100 100 PRO CA C 100 65.343 63.571 1.772 1
1 1119 . 1 1 1 A 100 100 PRO HA H 100 4.255 4.305 -0.050 1
1 1120 . 1 1 1 A 100 100 PRO CB C 100 31.128 31.199 -0.071 1
1 1126 . 1 1 1 A 100 100 PRO C C 100 176.734 177.471 -0.737 1
1 1130 . 1 1 1 A 101 101 GLY N N 101 113.906 113.208 0.698 1
1 1131 . 1 1 1 A 101 101 GLY H H 101 8.167 8.788 -0.621 1
1 1132 . 1 1 1 A 101 101 GLY CA C 101 44.668 45.017 -0.349 1
1 1133 . 1 1 1 A 101 101 GLY HA3 H 101 3.120 3.995 -0.875 1
1 1134 . 1 1 1 A 101 101 GLY C C 101 171.985 174.445 -2.460 1
1 1135 . 1 1 1 A 101 101 GLY HA2 H 101 4.140 3.927 0.213 1
1 1136 . 1 1 1 A 102 102 SER N N 102 112.418 117.174 -4.756 1
1 1137 . 1 1 1 A 102 102 SER H H 102 7.641 7.316 0.325 1
1 1138 . 1 1 1 A 102 102 SER CA C 102 54.770 56.255 -1.485 1
1 1139 . 1 1 1 A 102 102 SER HA H 102 4.107 3.859 0.248 1
1 1140 . 1 1 1 A 102 102 SER CB C 102 62.454 63.220 -0.766 1
1 1142 . 1 1 1 A 102 102 SER C C 102 174.682 172.206 2.476 1
1 1144 . 1 1 1 A 103 103 PRO CA C 103 62.301 62.233 0.068 1
1 1145 . 1 1 1 A 103 103 PRO HA H 103 5.363 4.515 0.848 1
1 1146 . 1 1 1 A 103 103 PRO CB C 103 33.964 32.320 1.644 1
1 1152 . 1 1 1 A 103 103 PRO C C 103 176.438 175.225 1.213 1
1 1156 . 1 1 1 A 104 104 PHE N N 104 126.067 119.001 7.066 1
1 1157 . 1 1 1 A 104 104 PHE H H 104 9.449 8.172 1.277 1
1 1158 . 1 1 1 A 104 104 PHE CA C 104 57.102 57.276 -0.174 1
1 1159 . 1 1 1 A 104 104 PHE HA H 104 4.621 5.036 -0.415 1
1 1160 . 1 1 1 A 104 104 PHE CB C 104 40.656 41.790 -1.134 1
1 1170 . 1 1 1 A 104 104 PHE C C 104 176.313 175.290 1.023 1
1 1172 . 1 1 1 A 105 105 THR N N 105 118.402 116.203 2.199 1
1 1173 . 1 1 1 A 105 105 THR H H 105 8.842 8.846 -0.004 1
1 1174 . 1 1 1 A 105 105 THR CA C 105 62.018 61.449 0.569 1
1 1175 . 1 1 1 A 105 105 THR HA H 105 5.153 5.151 0.002 1
1 1176 . 1 1 1 A 105 105 THR CB C 105 70.095 70.499 -0.404 1
1 1182 . 1 1 1 A 105 105 THR C C 105 172.525 174.043 -1.518 1
1 1183 . 1 1 1 A 106 106 ALA N N 106 131.132 129.266 1.866 1
1 1184 . 1 1 1 A 106 106 ALA H H 106 9.192 9.240 -0.048 1
1 1185 . 1 1 1 A 106 106 ALA CA C 106 50.187 49.879 0.308 1
1 1186 . 1 1 1 A 106 106 ALA HA H 106 4.435 5.488 -1.053 1
1 1187 . 1 1 1 A 106 106 ALA CB C 106 21.021 22.442 -1.421 1
1 1191 . 1 1 1 A 106 106 ALA C C 106 176.136 175.828 0.308 1
1 1192 . 1 1 1 A 107 107 LYS N N 107 122.751 122.070 0.681 1
1 1193 . 1 1 1 A 107 107 LYS H H 107 7.746 8.723 -0.977 1
1 1194 . 1 1 1 A 107 107 LYS CA C 107 55.652 55.481 0.171 1
1 1195 . 1 1 1 A 107 107 LYS HA H 107 4.797 4.704 0.093 1
1 1196 . 1 1 1 A 107 107 LYS CB C 107 32.606 32.715 -0.109 1
1 1204 . 1 1 1 A 107 107 LYS C C 107 174.648 175.265 -0.617 1
1 1209 . 1 1 1 A 108 108 ILE N N 108 127.629 125.694 1.935 1
1 1210 . 1 1 1 A 108 108 ILE H H 108 9.024 9.059 -0.035 1
1 1211 . 1 1 1 A 108 108 ILE CA C 108 56.801 60.329 -3.528 1
1 1212 . 1 1 1 A 108 108 ILE HA H 108 4.688 5.158 -0.470 1
1 1213 . 1 1 1 A 108 108 ILE CB C 108 35.101 40.107 -5.006 1
1 1225 . 1 1 1 A 108 108 ILE C C 108 178.159 175.199 2.960 1
1 1227 . 1 1 1 A 109 109 THR N N 109 121.563 120.240 1.323 1
1 1228 . 1 1 1 A 109 109 THR H H 109 8.861 8.656 0.205 1
1 1229 . 1 1 1 A 109 109 THR CA C 109 60.745 59.476 1.269 1
1 1230 . 1 1 1 A 109 109 THR HA H 109 4.778 4.914 -0.136 1
1 1231 . 1 1 1 A 109 109 THR CB C 109 71.067 70.983 0.084 1
1 1237 . 1 1 1 A 109 109 THR C C 109 173.421 171.579 1.842 1
1 1238 . 1 1 1 A 110 110 ASP N N 110 119.526 123.541 -4.015 1
1 1239 . 1 1 1 A 110 110 ASP H H 110 8.631 8.687 -0.056 1
1 1240 . 1 1 1 A 110 110 ASP CA C 110 53.971 52.792 1.179 1
1 1241 . 1 1 1 A 110 110 ASP HA H 110 4.729 5.289 -0.560 1
1 1242 . 1 1 1 A 110 110 ASP CB C 110 42.087 44.323 -2.236 1
1 1244 . 1 1 1 A 110 110 ASP C C 110 176.124 173.492 2.632 1
1 1246 . 1 1 1 A 111 111 ASP N N 111 122.287 126.519 -4.232 1
1 1247 . 1 1 1 A 111 111 ASP H H 111 8.638 8.850 -0.212 1
1 1248 . 1 1 1 A 111 111 ASP CA C 111 54.042 52.505 1.537 1
1 1249 . 1 1 1 A 111 111 ASP HA H 111 4.644 4.978 -0.334 1
1 1250 . 1 1 1 A 111 111 ASP CB C 111 41.218 41.616 -0.398 1
1 1252 . 1 1 1 A 111 111 ASP C C 111 176.668 175.964 0.704 1
1 1254 . 1 1 1 A 112 112 SER N N 112 117.157 122.439 -5.282 1
1 1255 . 1 1 1 A 112 112 SER H H 112 8.416 8.769 -0.353 1
1 1256 . 1 1 1 A 112 112 SER CA C 112 59.277 59.755 -0.478 1
1 1257 . 1 1 1 A 112 112 SER HA H 112 4.348 4.584 -0.236 1
1 1258 . 1 1 1 A 112 112 SER CB C 112 63.943 64.721 -0.778 1
1 1260 . 1 1 1 A 112 112 SER C C 112 174.721 174.490 0.231 1
1 1262 . 1 1 1 A 113 113 ARG N N 113 122.178 121.272 0.906 1
1 1263 . 1 1 1 A 113 113 ARG H H 113 8.238 7.863 0.375 1
1 1264 . 1 1 1 A 113 113 ARG CA C 113 56.195 56.477 -0.282 1
1 1265 . 1 1 1 A 113 113 ARG HA H 113 4.347 4.121 0.226 1
1 1266 . 1 1 1 A 113 113 ARG CB C 113 30.470 30.466 0.004 1
1 1271 . 1 1 1 A 113 113 ARG C C 113 176.207 175.504 0.703 1
1 1275 . 1 1 1 A 114 114 ARG N N 114 122.696 126.440 -3.744 1
1 1276 . 1 1 1 A 114 114 ARG H H 114 8.338 8.706 -0.368 1
1 1277 . 1 1 1 A 114 114 ARG CA C 114 56.164 55.887 0.277 1
1 1278 . 1 1 1 A 114 114 ARG HA H 114 4.390 4.446 -0.056 1
1 1279 . 1 1 1 A 114 114 ARG CB C 114 30.679 29.846 0.833 1
1 1285 . 1 1 1 A 114 114 ARG C C 114 175.468 176.106 -0.638 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 44.699 46.965 -2.266 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.124 3.921 0.203 1
1 3 . 2 1 1 A 7 7 GLY HA2 H 7 4.124 3.920 0.204 1
1 4 . 2 1 1 A 8 8 PRO CA C 8 63.321 62.687 0.634 1
1 5 . 2 1 1 A 8 8 PRO HA H 8 4.418 4.612 -0.194 1
1 6 . 2 1 1 A 8 8 PRO CB C 8 32.104 32.737 -0.633 1
1 12 . 2 1 1 A 8 8 PRO C C 8 177.159 176.353 0.806 1
1 16 . 2 1 1 A 9 9 GLU N N 9 120.837 120.570 0.267 1
1 17 . 2 1 1 A 9 9 GLU H H 9 8.612 8.791 -0.179 1
1 18 . 2 1 1 A 9 9 GLU CA C 9 56.642 57.076 -0.434 1
1 19 . 2 1 1 A 9 9 GLU HA H 9 4.282 4.457 -0.175 1
1 20 . 2 1 1 A 9 9 GLU CB C 9 30.181 31.537 -1.356 1
1 24 . 2 1 1 A 9 9 GLU C C 9 176.387 175.760 0.627 1
1 27 . 2 1 1 A 10 10 SER N N 10 117.776 113.496 4.280 1
1 28 . 2 1 1 A 10 10 SER H H 10 8.264 7.674 0.590 1
1 29 . 2 1 1 A 10 10 SER CA C 10 56.382 55.546 0.836 1
1 30 . 2 1 1 A 10 10 SER HA H 10 4.763 4.813 -0.050 1
1 31 . 2 1 1 A 10 10 SER CB C 10 63.575 65.715 -2.140 1
1 33 . 2 1 1 A 10 10 SER C C 10 172.958 171.445 1.513 1
1 35 . 2 1 1 A 11 11 PRO CA C 11 63.404 62.658 0.746 1
1 36 . 2 1 1 A 11 11 PRO HA H 11 4.432 4.798 -0.366 1
1 37 . 2 1 1 A 11 11 PRO CB C 11 31.958 31.769 0.189 1
1 43 . 2 1 1 A 11 11 PRO C C 11 176.922 175.854 1.068 1
1 47 . 2 1 1 A 12 12 LEU N N 12 121.245 124.986 -3.741 1
1 48 . 2 1 1 A 12 12 LEU H H 12 8.172 8.750 -0.578 1
1 49 . 2 1 1 A 12 12 LEU CA C 12 55.521 54.452 1.069 1
1 50 . 2 1 1 A 12 12 LEU HA H 12 4.236 4.813 -0.577 1
1 51 . 2 1 1 A 12 12 LEU CB C 12 42.138 43.273 -1.135 1
1 63 . 2 1 1 A 12 12 LEU C C 12 177.236 175.283 1.953 1
1 65 . 2 1 1 A 13 13 GLN N N 13 120.086 121.619 -1.533 1
1 66 . 2 1 1 A 13 13 GLN H H 13 8.098 8.326 -0.228 1
1 67 . 2 1 1 A 13 13 GLN CA C 13 55.785 54.729 1.056 1
1 68 . 2 1 1 A 13 13 GLN HA H 13 4.220 5.019 -0.799 1
1 69 . 2 1 1 A 13 13 GLN CB C 13 29.628 31.564 -1.936 1
1 76 . 2 1 1 A 13 13 GLN C C 13 175.243 174.066 1.177 1
1 79 . 2 1 1 A 14 14 PHE N N 14 120.461 127.192 -6.731 1
1 80 . 2 1 1 A 14 14 PHE H H 14 8.056 9.060 -1.004 1
1 81 . 2 1 1 A 14 14 PHE CA C 14 57.739 57.530 0.209 1
1 82 . 2 1 1 A 14 14 PHE HA H 14 4.545 5.056 -0.511 1
1 83 . 2 1 1 A 14 14 PHE CB C 14 39.825 41.560 -1.735 1
1 95 . 2 1 1 A 14 14 PHE C C 14 175.022 175.583 -0.561 1
1 97 . 2 1 1 A 15 15 TYR N N 15 121.213 125.531 -4.318 1
1 98 . 2 1 1 A 15 15 TYR H H 15 8.004 8.413 -0.409 1
1 99 . 2 1 1 A 15 15 TYR CA C 15 57.756 58.321 -0.565 1
1 100 . 2 1 1 A 15 15 TYR HA H 15 4.506 3.634 0.872 1
1 101 . 2 1 1 A 15 15 TYR CB C 15 39.012 36.431 2.581 1
1 111 . 2 1 1 A 15 15 TYR C C 15 175.174 174.073 1.101 1
1 113 . 2 1 1 A 16 16 VAL N N 16 121.693 118.910 2.783 1
1 114 . 2 1 1 A 16 16 VAL H H 16 7.900 7.437 0.463 1
1 115 . 2 1 1 A 16 16 VAL CA C 16 62.248 60.579 1.669 1
1 116 . 2 1 1 A 16 16 VAL HA H 16 3.932 4.297 -0.365 1
1 117 . 2 1 1 A 16 16 VAL CB C 16 33.023 34.246 -1.223 1
1 127 . 2 1 1 A 16 16 VAL C C 16 175.016 173.791 1.225 1
1 128 . 2 1 1 A 17 17 ASN N N 17 121.488 126.079 -4.591 1
1 129 . 2 1 1 A 17 17 ASN H H 17 8.198 8.752 -0.554 1
1 130 . 2 1 1 A 17 17 ASN CA C 17 52.948 51.920 1.028 1
1 131 . 2 1 1 A 17 17 ASN HA H 17 4.630 4.797 -0.167 1
1 132 . 2 1 1 A 17 17 ASN CB C 17 39.289 39.749 -0.460 1
1 137 . 2 1 1 A 17 17 ASN C C 17 174.167 173.818 0.349 1
1 139 . 2 1 1 A 18 18 TYR N N 18 122.069 120.887 1.182 1
1 140 . 2 1 1 A 18 18 TYR H H 18 8.117 8.656 -0.539 1
1 141 . 2 1 1 A 18 18 TYR CA C 18 55.970 55.925 0.045 1
1 142 . 2 1 1 A 18 18 TYR HA H 18 4.771 4.871 -0.100 1
1 143 . 2 1 1 A 18 18 TYR CB C 18 38.260 41.824 -3.564 1
1 153 . 2 1 1 A 18 18 TYR C C 18 173.978 175.660 -1.682 1
1 155 . 2 1 1 A 19 19 PRO CA C 19 63.378 64.800 -1.422 1
1 156 . 2 1 1 A 19 19 PRO HA H 19 4.414 4.476 -0.062 1
1 157 . 2 1 1 A 19 19 PRO CB C 19 32.018 32.143 -0.125 1
1 163 . 2 1 1 A 19 19 PRO C C 19 176.659 176.459 0.200 1
1 167 . 2 1 1 A 20 20 ASN N N 20 118.582 117.491 1.091 1
1 168 . 2 1 1 A 20 20 ASN H H 20 8.508 8.363 0.145 1
1 169 . 2 1 1 A 20 20 ASN CA C 20 53.334 52.445 0.889 1
1 170 . 2 1 1 A 20 20 ASN HA H 20 4.756 4.948 -0.192 1
1 171 . 2 1 1 A 20 20 ASN CB C 20 38.964 38.223 0.741 1
1 176 . 2 1 1 A 20 20 ASN C C 20 175.301 174.332 0.969 1
1 178 . 2 1 1 A 21 21 SER N N 21 115.989 119.430 -3.441 1
1 179 . 2 1 1 A 21 21 SER H H 21 8.360 8.805 -0.445 1
1 180 . 2 1 1 A 21 21 SER CA C 21 58.877 59.501 -0.624 1
1 181 . 2 1 1 A 21 21 SER HA H 21 4.481 4.505 -0.024 1
1 182 . 2 1 1 A 21 21 SER CB C 21 63.988 62.752 1.236 1
1 184 . 2 1 1 A 21 21 SER C C 21 175.006 174.843 0.163 1
1 186 . 2 1 1 A 22 22 GLY N N 22 110.974 113.182 -2.208 1
1 187 . 2 1 1 A 22 22 GLY H H 22 8.523 8.872 -0.349 1
1 188 . 2 1 1 A 22 22 GLY CA C 22 45.429 47.004 -1.575 1
1 189 . 2 1 1 A 22 22 GLY HA3 H 22 4.074 3.806 0.268 1
1 190 . 2 1 1 A 22 22 GLY C C 22 173.860 173.122 0.738 1
1 191 . 2 1 1 A 22 22 GLY HA2 H 22 4.074 3.784 0.290 1
1 192 . 2 1 1 A 23 23 SER N N 23 115.179 118.010 -2.831 1
1 193 . 2 1 1 A 23 23 SER H H 23 8.190 7.869 0.321 1
1 194 . 2 1 1 A 23 23 SER CA C 23 58.233 57.481 0.752 1
1 195 . 2 1 1 A 23 23 SER HA H 23 4.511 4.795 -0.284 1
1 196 . 2 1 1 A 23 23 SER CB C 23 64.511 65.091 -0.580 1
1 198 . 2 1 1 A 23 23 SER C C 23 173.263 172.014 1.249 1
1 200 . 2 1 1 A 24 24 VAL N N 24 122.289 122.998 -0.709 1
1 201 . 2 1 1 A 24 24 VAL H H 24 7.889 8.466 -0.577 1
1 202 . 2 1 1 A 24 24 VAL CA C 24 61.754 60.888 0.866 1
1 203 . 2 1 1 A 24 24 VAL HA H 24 4.567 4.776 -0.209 1
1 204 . 2 1 1 A 24 24 VAL CB C 24 33.612 33.636 -0.024 1
1 214 . 2 1 1 A 24 24 VAL C C 24 174.799 174.573 0.226 1
1 215 . 2 1 1 A 25 25 SER N N 25 118.995 119.242 -0.247 1
1 216 . 2 1 1 A 25 25 SER H H 25 8.244 8.722 -0.478 1
1 217 . 2 1 1 A 25 25 SER CA C 25 57.102 57.399 -0.297 1
1 218 . 2 1 1 A 25 25 SER HA H 25 5.039 5.326 -0.287 1
1 219 . 2 1 1 A 25 25 SER CB C 25 66.338 66.710 -0.372 1
1 221 . 2 1 1 A 25 25 SER C C 25 171.718 173.199 -1.481 1
1 223 . 2 1 1 A 26 26 ALA N N 26 121.537 124.923 -3.386 1
1 224 . 2 1 1 A 26 26 ALA H H 26 8.503 8.925 -0.422 1
1 225 . 2 1 1 A 26 26 ALA CA C 26 50.695 50.359 0.336 1
1 226 . 2 1 1 A 26 26 ALA HA H 26 5.637 5.135 0.502 1
1 227 . 2 1 1 A 26 26 ALA CB C 26 23.364 21.819 1.545 1
1 231 . 2 1 1 A 26 26 ALA C C 26 175.355 175.777 -0.422 1
1 232 . 2 1 1 A 27 27 TYR N N 27 116.588 118.541 -1.953 1
1 233 . 2 1 1 A 27 27 TYR H H 27 8.885 8.240 0.645 1
1 234 . 2 1 1 A 27 27 TYR CA C 27 57.013 55.512 1.501 1
1 235 . 2 1 1 A 27 27 TYR HA H 27 4.742 5.431 -0.689 1
1 236 . 2 1 1 A 27 27 TYR CB C 27 40.325 41.870 -1.545 1
1 246 . 2 1 1 A 27 27 TYR C C 27 172.990 173.951 -0.961 1
1 248 . 2 1 1 A 28 28 GLY N N 28 108.423 106.918 1.505 1
1 249 . 2 1 1 A 28 28 GLY H H 28 8.475 8.405 0.070 1
1 250 . 2 1 1 A 28 28 GLY CA C 28 44.439 45.429 -0.990 1
1 251 . 2 1 1 A 28 28 GLY HA3 H 28 4.141 4.348 -0.207 1
1 252 . 2 1 1 A 28 28 GLY C C 28 173.419 174.062 -0.643 1
1 253 . 2 1 1 A 28 28 GLY HA2 H 28 5.092 4.341 0.751 1
1 254 . 2 1 1 A 29 29 PRO CA C 29 65.537 64.014 1.523 1
1 255 . 2 1 1 A 29 29 PRO HA H 29 4.298 4.386 -0.088 1
1 256 . 2 1 1 A 29 29 PRO CB C 29 31.509 31.793 -0.284 1
1 262 . 2 1 1 A 29 29 PRO C C 29 178.493 177.651 0.842 1
1 266 . 2 1 1 A 30 30 GLY N N 30 102.459 106.624 -4.165 1
1 267 . 2 1 1 A 30 30 GLY H H 30 8.655 8.417 0.238 1
1 268 . 2 1 1 A 30 30 GLY CA C 30 46.245 46.027 0.218 1
1 269 . 2 1 1 A 30 30 GLY HA3 H 30 3.417 4.074 -0.657 1
1 270 . 2 1 1 A 30 30 GLY C C 30 172.945 174.846 -1.901 1
1 271 . 2 1 1 A 30 30 GLY HA2 H 30 4.316 4.013 0.303 1
1 272 . 2 1 1 A 31 31 LEU N N 31 116.436 121.388 -4.952 1
1 273 . 2 1 1 A 31 31 LEU H H 31 7.049 7.471 -0.422 1
1 274 . 2 1 1 A 31 31 LEU CA C 31 55.368 56.715 -1.347 1
1 275 . 2 1 1 A 31 31 LEU HA H 31 3.784 4.090 -0.306 1
1 276 . 2 1 1 A 31 31 LEU CB C 31 42.148 41.832 0.316 1
1 288 . 2 1 1 A 31 31 LEU C C 31 175.321 178.753 -3.432 1
1 290 . 2 1 1 A 32 32 VAL N N 32 112.078 117.395 -5.317 1
1 291 . 2 1 1 A 32 32 VAL H H 32 7.739 6.928 0.811 1
1 292 . 2 1 1 A 32 32 VAL CA C 32 62.956 64.249 -1.293 1
1 293 . 2 1 1 A 32 32 VAL HA H 32 4.574 3.667 0.907 1
1 294 . 2 1 1 A 32 32 VAL CB C 32 35.415 31.670 3.745 1
1 304 . 2 1 1 A 32 32 VAL C C 32 176.810 175.728 1.082 1
1 305 . 2 1 1 A 33 33 TYR N N 33 121.116 115.760 5.356 1
1 306 . 2 1 1 A 33 33 TYR H H 33 8.638 7.517 1.121 1
1 307 . 2 1 1 A 33 33 TYR CA C 33 56.523 55.971 0.552 1
1 308 . 2 1 1 A 33 33 TYR HA H 33 5.639 4.943 0.696 1
1 309 . 2 1 1 A 33 33 TYR CB C 33 42.165 41.194 0.971 1
1 319 . 2 1 1 A 33 33 TYR C C 33 172.858 173.743 -0.885 1
1 321 . 2 1 1 A 34 34 GLY N N 34 107.313 106.881 0.432 1
1 322 . 2 1 1 A 34 34 GLY H H 34 7.637 8.576 -0.939 1
1 323 . 2 1 1 A 34 34 GLY CA C 34 44.721 46.103 -1.382 1
1 324 . 2 1 1 A 34 34 GLY HA3 H 34 3.793 4.468 -0.675 1
1 325 . 2 1 1 A 34 34 GLY C C 34 170.727 171.777 -1.050 1
1 326 . 2 1 1 A 34 34 GLY HA2 H 34 3.873 4.465 -0.592 1
1 327 . 2 1 1 A 35 35 VAL N N 35 120.853 119.760 1.093 1
1 328 . 2 1 1 A 35 35 VAL H H 35 8.731 8.357 0.374 1
1 329 . 2 1 1 A 35 35 VAL CA C 35 60.627 60.660 -0.033 1
1 330 . 2 1 1 A 35 35 VAL HA H 35 4.589 4.775 -0.186 1
1 331 . 2 1 1 A 35 35 VAL CB C 35 35.374 35.651 -0.277 1
1 341 . 2 1 1 A 35 35 VAL C C 35 174.813 175.115 -0.302 1
1 342 . 2 1 1 A 36 36 ALA N N 36 127.708 129.946 -2.238 1
1 343 . 2 1 1 A 36 36 ALA H H 36 8.482 8.703 -0.221 1
1 344 . 2 1 1 A 36 36 ALA CA C 36 53.332 53.531 -0.199 1
1 345 . 2 1 1 A 36 36 ALA HA H 36 3.535 4.089 -0.554 1
1 346 . 2 1 1 A 36 36 ALA CB C 36 17.653 18.565 -0.912 1
1 350 . 2 1 1 A 36 36 ALA C C 36 176.968 178.154 -1.186 1
1 351 . 2 1 1 A 37 37 ASN N N 37 111.234 117.044 -5.810 1
1 352 . 2 1 1 A 37 37 ASN H H 37 9.147 9.088 0.059 1
1 353 . 2 1 1 A 37 37 ASN CA C 37 55.728 54.339 1.389 1
1 354 . 2 1 1 A 37 37 ASN HA H 37 3.962 4.386 -0.424 1
1 355 . 2 1 1 A 37 37 ASN CB C 37 37.147 37.205 -0.058 1
1 360 . 2 1 1 A 37 37 ASN C C 37 173.119 173.521 -0.402 1
1 362 . 2 1 1 A 38 38 LYS N N 38 119.100 118.165 0.935 1
1 363 . 2 1 1 A 38 38 LYS H H 38 7.972 7.488 0.484 1
1 364 . 2 1 1 A 38 38 LYS CA C 38 54.306 54.715 -0.409 1
1 365 . 2 1 1 A 38 38 LYS HA H 38 4.606 4.831 -0.225 1
1 366 . 2 1 1 A 38 38 LYS CB C 38 34.799 35.599 -0.800 1
1 374 . 2 1 1 A 38 38 LYS C C 38 175.533 175.156 0.377 1
1 379 . 2 1 1 A 39 39 THR N N 39 114.730 116.642 -1.912 1
1 380 . 2 1 1 A 39 39 THR H H 39 8.158 8.570 -0.412 1
1 381 . 2 1 1 A 39 39 THR CA C 39 63.302 62.147 1.155 1
1 382 . 2 1 1 A 39 39 THR HA H 39 4.138 4.214 -0.076 1
1 383 . 2 1 1 A 39 39 THR CB C 39 69.652 69.159 0.493 1
1 389 . 2 1 1 A 39 39 THR C C 39 174.281 174.253 0.028 1
1 390 . 2 1 1 A 40 40 ALA N N 40 129.891 126.350 3.541 1
1 391 . 2 1 1 A 40 40 ALA H H 40 8.750 8.088 0.662 1
1 392 . 2 1 1 A 40 40 ALA CA C 40 50.399 50.890 -0.491 1
1 393 . 2 1 1 A 40 40 ALA HA H 40 4.702 4.989 -0.287 1
1 394 . 2 1 1 A 40 40 ALA CB C 40 20.495 21.433 -0.938 1
1 398 . 2 1 1 A 40 40 ALA C C 40 176.039 175.240 0.799 1
1 399 . 2 1 1 A 41 41 THR N N 41 112.902 116.946 -4.044 1
1 400 . 2 1 1 A 41 41 THR H H 41 8.536 8.773 -0.237 1
1 401 . 2 1 1 A 41 41 THR CA C 41 59.688 60.117 -0.429 1
1 402 . 2 1 1 A 41 41 THR HA H 41 5.779 5.178 0.601 1
1 403 . 2 1 1 A 41 41 THR CB C 41 72.348 70.874 1.474 1
1 409 . 2 1 1 A 41 41 THR C C 41 173.286 172.535 0.751 1
1 410 . 2 1 1 A 42 42 PHE N N 42 119.525 119.261 0.264 1
1 411 . 2 1 1 A 42 42 PHE H H 42 8.825 8.325 0.500 1
1 412 . 2 1 1 A 42 42 PHE CA C 42 57.031 55.699 1.332 1
1 413 . 2 1 1 A 42 42 PHE HA H 42 5.013 5.349 -0.336 1
1 414 . 2 1 1 A 42 42 PHE CB C 42 40.155 41.995 -1.840 1
1 426 . 2 1 1 A 42 42 PHE C C 42 171.282 172.226 -0.944 1
1 428 . 2 1 1 A 43 43 THR N N 43 117.427 114.620 2.807 1
1 429 . 2 1 1 A 43 43 THR H H 43 9.210 8.536 0.674 1
1 430 . 2 1 1 A 43 43 THR CA C 43 62.250 61.337 0.913 1
1 431 . 2 1 1 A 43 43 THR HA H 43 4.987 4.865 0.122 1
1 432 . 2 1 1 A 43 43 THR CB C 43 71.510 70.180 1.330 1
1 438 . 2 1 1 A 43 43 THR C C 43 173.061 173.496 -0.435 1
1 439 . 2 1 1 A 44 44 ILE N N 44 123.638 128.313 -4.675 1
1 440 . 2 1 1 A 44 44 ILE H H 44 8.859 8.639 0.220 1
1 441 . 2 1 1 A 44 44 ILE CA C 44 59.843 59.526 0.317 1
1 442 . 2 1 1 A 44 44 ILE HA H 44 4.824 4.595 0.229 1
1 443 . 2 1 1 A 44 44 ILE CB C 44 40.866 39.083 1.783 1
1 455 . 2 1 1 A 44 44 ILE C C 44 174.707 175.460 -0.753 1
1 457 . 2 1 1 A 45 45 VAL N N 45 128.904 128.452 0.452 1
1 458 . 2 1 1 A 45 45 VAL H H 45 9.299 8.669 0.630 1
1 459 . 2 1 1 A 45 45 VAL CA C 45 62.119 63.090 -0.971 1
1 460 . 2 1 1 A 45 45 VAL HA H 45 4.492 4.090 0.402 1
1 461 . 2 1 1 A 45 45 VAL CB C 45 32.683 31.189 1.494 1
1 471 . 2 1 1 A 45 45 VAL C C 45 175.606 177.022 -1.416 1
1 472 . 2 1 1 A 46 46 THR N N 46 117.412 116.671 0.741 1
1 473 . 2 1 1 A 46 46 THR H H 46 8.434 8.326 0.108 1
1 474 . 2 1 1 A 46 46 THR CA C 46 60.650 60.185 0.465 1
1 475 . 2 1 1 A 46 46 THR HA H 46 4.505 4.634 -0.129 1
1 476 . 2 1 1 A 46 46 THR CB C 46 69.432 68.422 1.010 1
1 482 . 2 1 1 A 46 46 THR C C 46 174.882 175.406 -0.524 1
1 483 . 2 1 1 A 47 47 GLU N N 47 122.657 122.288 0.369 1
1 484 . 2 1 1 A 47 47 GLU H H 47 8.052 8.145 -0.093 1
1 485 . 2 1 1 A 47 47 GLU CA C 47 57.419 58.554 -1.135 1
1 486 . 2 1 1 A 47 47 GLU HA H 47 4.231 3.994 0.237 1
1 487 . 2 1 1 A 47 47 GLU CB C 47 30.281 28.508 1.773 1
1 491 . 2 1 1 A 47 47 GLU C C 47 175.887 176.365 -0.478 1
1 494 . 2 1 1 A 48 48 ASP N N 48 120.269 119.492 0.777 1
1 495 . 2 1 1 A 48 48 ASP H H 48 8.536 7.818 0.718 1
1 496 . 2 1 1 A 48 48 ASP CA C 48 54.396 52.627 1.769 1
1 497 . 2 1 1 A 48 48 ASP HA H 48 4.638 4.902 -0.264 1
1 498 . 2 1 1 A 48 48 ASP CB C 48 40.979 41.565 -0.586 1
1 500 . 2 1 1 A 48 48 ASP C C 48 175.709 176.820 -1.111 1
1 502 . 2 1 1 A 49 49 ALA N N 49 122.506 124.248 -1.742 1
1 503 . 2 1 1 A 49 49 ALA H H 49 8.109 7.796 0.313 1
1 504 . 2 1 1 A 49 49 ALA CA C 49 52.774 52.463 0.311 1
1 505 . 2 1 1 A 49 49 ALA HA H 49 4.195 4.253 -0.058 1
1 506 . 2 1 1 A 49 49 ALA CB C 49 19.343 20.568 -1.225 1
1 510 . 2 1 1 A 49 49 ALA C C 49 178.316 178.453 -0.137 1
1 511 . 2 1 1 A 50 50 GLY N N 50 107.563 105.114 2.449 1
1 512 . 2 1 1 A 50 50 GLY H H 50 8.269 7.875 0.394 1
1 513 . 2 1 1 A 50 50 GLY CA C 50 45.288 46.526 -1.238 1
1 514 . 2 1 1 A 50 50 GLY HA3 H 50 3.993 4.032 -0.039 1
1 515 . 2 1 1 A 50 50 GLY C C 50 174.421 173.118 1.303 1
1 516 . 2 1 1 A 50 50 GLY HA2 H 50 3.993 4.016 -0.023 1
1 517 . 2 1 1 A 51 51 GLU N N 51 121.358 119.653 1.705 1
1 518 . 2 1 1 A 51 51 GLU H H 51 8.519 8.409 0.110 1
1 519 . 2 1 1 A 51 51 GLU CA C 51 56.890 54.829 2.061 1
1 520 . 2 1 1 A 51 51 GLU HA H 51 4.309 5.177 -0.868 1
1 521 . 2 1 1 A 51 51 GLU CB C 51 30.204 32.901 -2.697 1
1 525 . 2 1 1 A 51 51 GLU C C 51 177.003 174.677 2.326 1
1 528 . 2 1 1 A 52 52 GLY N N 52 109.575 108.738 0.837 1
1 529 . 2 1 1 A 52 52 GLY H H 52 8.349 8.336 0.013 1
1 530 . 2 1 1 A 52 52 GLY CA C 52 45.571 45.886 -0.315 1
1 531 . 2 1 1 A 52 52 GLY HA3 H 52 3.895 4.156 -0.261 1
1 532 . 2 1 1 A 52 52 GLY C C 52 173.666 172.682 0.984 1
1 533 . 2 1 1 A 52 52 GLY HA2 H 52 3.810 4.138 -0.328 1
1 534 . 2 1 1 A 53 53 GLY N N 53 106.657 107.160 -0.503 1
1 535 . 2 1 1 A 53 53 GLY H H 53 7.893 7.459 0.434 1
1 536 . 2 1 1 A 53 53 GLY CA C 53 45.199 45.198 0.001 1
1 537 . 2 1 1 A 53 53 GLY HA3 H 53 3.613 4.096 -0.483 1
1 538 . 2 1 1 A 53 53 GLY C C 53 173.414 172.097 1.317 1
1 539 . 2 1 1 A 53 53 GLY HA2 H 53 4.036 4.081 -0.045 1
1 540 . 2 1 1 A 54 54 LEU N N 54 124.121 126.081 -1.960 1
1 541 . 2 1 1 A 54 54 LEU H H 54 8.241 8.563 -0.322 1
1 542 . 2 1 1 A 54 54 LEU CA C 54 54.528 54.084 0.444 1
1 543 . 2 1 1 A 54 54 LEU HA H 54 5.056 4.648 0.408 1
1 544 . 2 1 1 A 54 54 LEU CB C 54 44.325 43.772 0.553 1
1 556 . 2 1 1 A 54 54 LEU C C 54 176.080 175.080 1.000 1
1 558 . 2 1 1 A 55 55 ASP N N 55 126.024 124.131 1.893 1
1 559 . 2 1 1 A 55 55 ASP H H 55 8.981 8.450 0.531 1
1 560 . 2 1 1 A 55 55 ASP CA C 55 54.095 52.693 1.402 1
1 561 . 2 1 1 A 55 55 ASP HA H 55 4.879 5.276 -0.397 1
1 562 . 2 1 1 A 55 55 ASP CB C 55 44.582 45.091 -0.509 1
1 564 . 2 1 1 A 55 55 ASP C C 55 173.601 174.874 -1.273 1
1 566 . 2 1 1 A 56 56 LEU N N 56 125.098 121.654 3.444 1
1 567 . 2 1 1 A 56 56 LEU H H 56 8.300 8.920 -0.620 1
1 568 . 2 1 1 A 56 56 LEU CA C 56 53.221 53.795 -0.574 1
1 569 . 2 1 1 A 56 56 LEU HA H 56 5.422 5.065 0.357 1
1 570 . 2 1 1 A 56 56 LEU CB C 56 46.028 46.345 -0.317 1
1 582 . 2 1 1 A 56 56 LEU C C 56 175.700 174.994 0.706 1
1 584 . 2 1 1 A 57 57 ALA N N 57 125.664 123.847 1.817 1
1 585 . 2 1 1 A 57 57 ALA H H 57 8.840 8.447 0.393 1
1 586 . 2 1 1 A 57 57 ALA CA C 57 51.851 51.939 -0.088 1
1 587 . 2 1 1 A 57 57 ALA HA H 57 4.600 5.002 -0.402 1
1 588 . 2 1 1 A 57 57 ALA CB C 57 22.862 21.898 0.964 1
1 592 . 2 1 1 A 57 57 ALA C C 57 174.504 175.981 -1.477 1
1 593 . 2 1 1 A 58 58 ILE N N 58 119.429 123.585 -4.156 1
1 594 . 2 1 1 A 58 58 ILE H H 58 8.617 8.852 -0.235 1
1 595 . 2 1 1 A 58 58 ILE CA C 58 60.143 59.813 0.330 1
1 596 . 2 1 1 A 58 58 ILE HA H 58 5.272 4.842 0.430 1
1 597 . 2 1 1 A 58 58 ILE CB C 58 41.068 39.760 1.308 1
1 609 . 2 1 1 A 58 58 ILE C C 58 175.328 175.253 0.075 1
1 611 . 2 1 1 A 59 59 GLU N N 59 128.665 124.402 4.263 1
1 612 . 2 1 1 A 59 59 GLU H H 59 9.315 8.760 0.555 1
1 613 . 2 1 1 A 59 59 GLU CA C 59 54.166 54.812 -0.646 1
1 614 . 2 1 1 A 59 59 GLU HA H 59 4.920 5.111 -0.191 1
1 615 . 2 1 1 A 59 59 GLU CB C 59 32.698 32.943 -0.245 1
1 619 . 2 1 1 A 59 59 GLU C C 59 175.108 175.596 -0.488 1
1 622 . 2 1 1 A 60 60 GLY N N 60 110.929 108.923 2.006 1
1 623 . 2 1 1 A 60 60 GLY H H 60 8.427 8.300 0.127 1
1 624 . 2 1 1 A 60 60 GLY CA C 60 45.608 44.462 1.146 1
1 625 . 2 1 1 A 60 60 GLY HA3 H 60 3.927 4.107 -0.180 1
1 626 . 2 1 1 A 60 60 GLY C C 60 171.379 173.965 -2.586 1
1 627 . 2 1 1 A 60 60 GLY HA2 H 60 3.531 3.955 -0.424 1
1 628 . 2 1 1 A 61 61 PRO CA C 61 64.103 63.964 0.139 1
1 629 . 2 1 1 A 61 61 PRO HA H 61 4.270 4.457 -0.187 1
1 630 . 2 1 1 A 61 61 PRO CB C 61 32.206 31.883 0.323 1
1 636 . 2 1 1 A 61 61 PRO C C 61 176.075 176.005 0.070 1
1 640 . 2 1 1 A 62 62 SER N N 62 108.474 112.326 -3.852 1
1 641 . 2 1 1 A 62 62 SER H H 62 7.099 7.565 -0.466 1
1 642 . 2 1 1 A 62 62 SER CA C 62 56.398 57.115 -0.717 1
1 643 . 2 1 1 A 62 62 SER HA H 62 4.655 4.703 -0.048 1
1 644 . 2 1 1 A 62 62 SER CB C 62 67.457 65.077 2.380 1
1 646 . 2 1 1 A 62 62 SER C C 62 172.805 172.253 0.552 1
1 648 . 2 1 1 A 63 63 LYS N N 63 122.679 126.369 -3.690 1
1 649 . 2 1 1 A 63 63 LYS H H 63 8.653 8.254 0.399 1
1 650 . 2 1 1 A 63 63 LYS CA C 63 55.822 56.491 -0.669 1
1 651 . 2 1 1 A 63 63 LYS HA H 63 4.449 4.589 -0.140 1
1 652 . 2 1 1 A 63 63 LYS CB C 63 31.384 33.138 -1.754 1
1 660 . 2 1 1 A 63 63 LYS C C 63 175.601 175.017 0.584 1
1 665 . 2 1 1 A 64 64 ALA N N 64 130.710 130.208 0.502 1
1 666 . 2 1 1 A 64 64 ALA H H 64 8.690 8.638 0.052 1
1 667 . 2 1 1 A 64 64 ALA CA C 64 51.425 51.340 0.085 1
1 668 . 2 1 1 A 64 64 ALA HA H 64 4.578 4.920 -0.342 1
1 669 . 2 1 1 A 64 64 ALA CB C 64 19.803 20.008 -0.205 1
1 673 . 2 1 1 A 64 64 ALA C C 64 176.395 176.984 -0.589 1
1 674 . 2 1 1 A 65 65 GLU N N 65 123.534 120.691 2.843 1
1 675 . 2 1 1 A 65 65 GLU H H 65 8.397 8.537 -0.140 1
1 676 . 2 1 1 A 65 65 GLU CA C 65 56.854 56.395 0.459 1
1 677 . 2 1 1 A 65 65 GLU HA H 65 4.278 4.391 -0.113 1
1 678 . 2 1 1 A 65 65 GLU CB C 65 30.346 30.341 0.005 1
1 682 . 2 1 1 A 65 65 GLU C C 65 176.381 176.367 0.014 1
1 685 . 2 1 1 A 66 66 ILE N N 66 124.380 123.094 1.286 1
1 686 . 2 1 1 A 66 66 ILE H H 66 8.541 8.629 -0.088 1
1 687 . 2 1 1 A 66 66 ILE CA C 66 60.568 60.279 0.289 1
1 688 . 2 1 1 A 66 66 ILE HA H 66 4.865 4.907 -0.042 1
1 689 . 2 1 1 A 66 66 ILE CB C 66 41.804 41.143 0.661 1
1 701 . 2 1 1 A 66 66 ILE C C 66 175.421 174.389 1.032 1
1 703 . 2 1 1 A 67 67 SER N N 67 122.057 122.781 -0.724 1
1 704 . 2 1 1 A 67 67 SER H H 67 9.035 8.724 0.311 1
1 705 . 2 1 1 A 67 67 SER CA C 67 56.908 56.783 0.125 1
1 706 . 2 1 1 A 67 67 SER HA H 67 4.729 4.929 -0.200 1
1 707 . 2 1 1 A 67 67 SER CB C 67 64.980 64.187 0.793 1
1 709 . 2 1 1 A 67 67 SER C C 67 172.294 172.963 -0.669 1
1 711 . 2 1 1 A 68 68 CYS N N 68 124.699 127.646 -2.947 1
1 712 . 2 1 1 A 68 68 CYS H H 68 8.732 9.028 -0.296 1
1 713 . 2 1 1 A 68 68 CYS CA C 68 57.310 58.549 -1.239 1
1 714 . 2 1 1 A 68 68 CYS HA H 68 5.038 4.876 0.162 1
1 715 . 2 1 1 A 68 68 CYS CB C 68 28.380 28.756 -0.376 1
1 717 . 2 1 1 A 68 68 CYS C C 68 173.135 174.146 -1.011 1
1 719 . 2 1 1 A 69 69 ILE N N 69 128.680 126.201 2.479 1
1 720 . 2 1 1 A 69 69 ILE H H 69 8.757 8.713 0.044 1
1 721 . 2 1 1 A 69 69 ILE CA C 69 59.153 59.366 -0.213 1
1 722 . 2 1 1 A 69 69 ILE HA H 69 4.350 4.727 -0.377 1
1 723 . 2 1 1 A 69 69 ILE CB C 69 40.750 42.033 -1.283 1
1 735 . 2 1 1 A 69 69 ILE C C 69 174.363 173.724 0.639 1
1 737 . 2 1 1 A 70 70 ASP N N 70 126.290 126.608 -0.318 1
1 738 . 2 1 1 A 70 70 ASP H H 70 8.596 8.875 -0.279 1
1 739 . 2 1 1 A 70 70 ASP CA C 70 53.671 53.848 -0.177 1
1 740 . 2 1 1 A 70 70 ASP HA H 70 4.892 5.049 -0.157 1
1 741 . 2 1 1 A 70 70 ASP CB C 70 41.069 42.200 -1.131 1
1 743 . 2 1 1 A 70 70 ASP C C 70 176.812 175.405 1.407 1
1 745 . 2 1 1 A 71 71 ASN N N 71 125.163 122.538 2.625 1
1 746 . 2 1 1 A 71 71 ASN H H 71 8.745 8.320 0.425 1
1 747 . 2 1 1 A 71 71 ASN CA C 71 54.626 52.112 2.514 1
1 748 . 2 1 1 A 71 71 ASN HA H 71 4.647 5.126 -0.479 1
1 749 . 2 1 1 A 71 71 ASN CB C 71 38.688 42.205 -3.517 1
1 754 . 2 1 1 A 71 71 ASN C C 71 175.657 176.204 -0.547 1
1 756 . 2 1 1 A 72 72 LYS N N 72 114.425 123.113 -8.688 1
1 757 . 2 1 1 A 72 72 LYS H H 72 9.407 8.818 0.589 1
1 758 . 2 1 1 A 72 72 LYS CA C 72 57.535 57.726 -0.191 1
1 759 . 2 1 1 A 72 72 LYS HA H 72 4.028 4.322 -0.294 1
1 760 . 2 1 1 A 72 72 LYS CB C 72 28.393 32.710 -4.317 1
1 768 . 2 1 1 A 72 72 LYS C C 72 175.123 177.962 -2.839 1
1 773 . 2 1 1 A 73 73 ASP N N 73 117.581 116.761 0.820 1
1 774 . 2 1 1 A 73 73 ASP H H 73 7.881 7.868 0.013 1
1 775 . 2 1 1 A 73 73 ASP CA C 73 52.274 53.990 -1.716 1
1 776 . 2 1 1 A 73 73 ASP HA H 73 4.769 4.750 0.019 1
1 777 . 2 1 1 A 73 73 ASP CB C 73 41.210 41.208 0.002 1
1 779 . 2 1 1 A 73 73 ASP C C 73 177.197 175.522 1.675 1
1 781 . 2 1 1 A 74 74 GLY N N 74 109.385 108.780 0.605 1
1 782 . 2 1 1 A 74 74 GLY H H 74 8.781 8.178 0.603 1
1 783 . 2 1 1 A 74 74 GLY CA C 74 45.179 46.364 -1.185 1
1 784 . 2 1 1 A 74 74 GLY HA3 H 74 3.673 3.926 -0.253 1
1 785 . 2 1 1 A 74 74 GLY C C 74 173.671 173.652 0.019 1
1 786 . 2 1 1 A 74 74 GLY HA2 H 74 4.469 3.924 0.545 1
1 787 . 2 1 1 A 75 75 THR N N 75 110.220 109.877 0.343 1
1 788 . 2 1 1 A 75 75 THR H H 75 8.179 7.529 0.650 1
1 789 . 2 1 1 A 75 75 THR CA C 75 59.843 59.566 0.277 1
1 790 . 2 1 1 A 75 75 THR HA H 75 5.678 4.978 0.700 1
1 791 . 2 1 1 A 75 75 THR CB C 75 73.810 72.222 1.588 1
1 797 . 2 1 1 A 75 75 THR C C 75 173.912 173.075 0.837 1
1 798 . 2 1 1 A 76 76 CYS N N 76 117.252 119.833 -2.581 1
1 799 . 2 1 1 A 76 76 CYS H H 76 9.295 9.174 0.121 1
1 800 . 2 1 1 A 76 76 CYS CA C 76 56.716 57.389 -0.673 1
1 801 . 2 1 1 A 76 76 CYS HA H 76 5.517 5.176 0.341 1
1 802 . 2 1 1 A 76 76 CYS CB C 76 31.176 31.117 0.059 1
1 804 . 2 1 1 A 76 76 CYS C C 76 174.083 173.129 0.954 1
1 806 . 2 1 1 A 77 77 THR N N 77 121.477 120.152 1.325 1
1 807 . 2 1 1 A 77 77 THR H H 77 9.137 8.677 0.460 1
1 808 . 2 1 1 A 77 77 THR CA C 77 62.565 61.864 0.701 1
1 809 . 2 1 1 A 77 77 THR HA H 77 4.592 4.616 -0.024 1
1 810 . 2 1 1 A 77 77 THR CB C 77 70.447 69.044 1.403 1
1 816 . 2 1 1 A 77 77 THR C C 77 173.469 173.496 -0.027 1
1 817 . 2 1 1 A 78 78 VAL N N 78 131.586 127.583 4.003 1
1 818 . 2 1 1 A 78 78 VAL H H 78 9.099 8.143 0.956 1
1 819 . 2 1 1 A 78 78 VAL CA C 78 60.604 61.341 -0.737 1
1 820 . 2 1 1 A 78 78 VAL HA H 78 4.672 4.482 0.190 1
1 821 . 2 1 1 A 78 78 VAL CB C 78 32.061 31.701 0.360 1
1 831 . 2 1 1 A 78 78 VAL C C 78 174.618 175.009 -0.391 1
1 832 . 2 1 1 A 79 79 THR N N 79 120.071 123.633 -3.562 1
1 833 . 2 1 1 A 79 79 THR H H 79 8.782 8.399 0.383 1
1 834 . 2 1 1 A 79 79 THR CA C 79 59.685 62.019 -2.334 1
1 835 . 2 1 1 A 79 79 THR HA H 79 5.424 5.124 0.300 1
1 836 . 2 1 1 A 79 79 THR CB C 79 71.374 70.755 0.619 1
1 842 . 2 1 1 A 79 79 THR C C 79 173.250 173.646 -0.396 1
1 843 . 2 1 1 A 80 80 TYR N N 80 120.212 121.590 -1.378 1
1 844 . 2 1 1 A 80 80 TYR H H 80 9.132 8.617 0.515 1
1 845 . 2 1 1 A 80 80 TYR CA C 80 55.554 55.898 -0.344 1
1 846 . 2 1 1 A 80 80 TYR HA H 80 5.686 5.610 0.076 1
1 847 . 2 1 1 A 80 80 TYR CB C 80 42.143 42.297 -0.154 1
1 857 . 2 1 1 A 80 80 TYR C C 80 172.856 172.562 0.294 1
1 859 . 2 1 1 A 81 81 LEU N N 81 121.355 123.427 -2.072 1
1 860 . 2 1 1 A 81 81 LEU H H 81 7.729 8.984 -1.255 1
1 861 . 2 1 1 A 81 81 LEU CA C 81 50.912 51.118 -0.206 1
1 862 . 2 1 1 A 81 81 LEU HA H 81 4.991 4.783 0.208 1
1 863 . 2 1 1 A 81 81 LEU CB C 81 43.636 45.330 -1.694 1
1 875 . 2 1 1 A 81 81 LEU C C 81 172.982 175.044 -2.062 1
1 877 . 2 1 1 A 82 82 PRO CA C 82 61.629 62.824 -1.195 1
1 878 . 2 1 1 A 82 82 PRO HA H 82 4.587 4.746 -0.159 1
1 879 . 2 1 1 A 82 82 PRO CB C 82 32.091 32.485 -0.394 1
1 885 . 2 1 1 A 82 82 PRO C C 82 177.683 177.208 0.475 1
1 889 . 2 1 1 A 83 83 THR N N 83 112.637 114.283 -1.646 1
1 890 . 2 1 1 A 83 83 THR H H 83 8.438 8.473 -0.035 1
1 891 . 2 1 1 A 83 83 THR CA C 83 62.207 62.446 -0.239 1
1 892 . 2 1 1 A 83 83 THR HA H 83 4.305 4.492 -0.187 1
1 893 . 2 1 1 A 83 83 THR CB C 83 69.155 69.974 -0.819 1
1 899 . 2 1 1 A 83 83 THR C C 83 173.582 174.527 -0.945 1
1 900 . 2 1 1 A 84 84 LEU N N 84 118.186 120.535 -2.349 1
1 901 . 2 1 1 A 84 84 LEU H H 84 6.839 7.351 -0.512 1
1 902 . 2 1 1 A 84 84 LEU CA C 84 51.513 51.698 -0.185 1
1 903 . 2 1 1 A 84 84 LEU HA H 84 4.976 4.908 0.068 1
1 904 . 2 1 1 A 84 84 LEU CB C 84 45.838 45.824 0.014 1
1 916 . 2 1 1 A 84 84 LEU C C 84 175.119 174.420 0.699 1
1 918 . 2 1 1 A 85 85 PRO CA C 85 62.660 63.533 -0.873 1
1 919 . 2 1 1 A 85 85 PRO HA H 85 4.347 4.882 -0.535 1
1 920 . 2 1 1 A 85 85 PRO CB C 85 32.801 31.770 1.031 1
1 926 . 2 1 1 A 85 85 PRO C C 85 174.117 176.158 -2.041 1
1 930 . 2 1 1 A 86 86 GLY N N 86 106.704 108.203 -1.499 1
1 931 . 2 1 1 A 86 86 GLY H H 86 9.065 8.036 1.029 1
1 932 . 2 1 1 A 86 86 GLY CA C 86 44.520 45.332 -0.812 1
1 933 . 2 1 1 A 86 86 GLY HA3 H 86 3.838 4.128 -0.290 1
1 934 . 2 1 1 A 86 86 GLY C C 86 171.468 171.712 -0.244 1
1 935 . 2 1 1 A 86 86 GLY HA2 H 86 4.408 4.040 0.368 1
1 936 . 2 1 1 A 87 87 ASP N N 87 120.573 121.177 -0.604 1
1 937 . 2 1 1 A 87 87 ASP H H 87 8.275 8.591 -0.316 1
1 938 . 2 1 1 A 87 87 ASP CA C 87 53.500 55.434 -1.934 1
1 939 . 2 1 1 A 87 87 ASP HA H 87 5.498 4.491 1.007 1
1 940 . 2 1 1 A 87 87 ASP CB C 87 40.877 41.050 -0.173 1
1 942 . 2 1 1 A 87 87 ASP C C 87 176.069 175.677 0.392 1
1 944 . 2 1 1 A 88 88 TYR N N 88 124.115 122.984 1.131 1
1 945 . 2 1 1 A 88 88 TYR H H 88 9.510 8.951 0.559 1
1 946 . 2 1 1 A 88 88 TYR CA C 88 56.667 56.471 0.196 1
1 947 . 2 1 1 A 88 88 TYR HA H 88 4.983 5.299 -0.316 1
1 948 . 2 1 1 A 88 88 TYR CB C 88 39.633 39.258 0.375 1
1 958 . 2 1 1 A 88 88 TYR C C 88 174.533 175.195 -0.662 1
1 960 . 2 1 1 A 89 89 SER N N 89 118.331 120.909 -2.578 1
1 961 . 2 1 1 A 89 89 SER H H 89 9.200 8.775 0.425 1
1 962 . 2 1 1 A 89 89 SER CA C 89 56.737 58.868 -2.131 1
1 963 . 2 1 1 A 89 89 SER HA H 89 5.346 4.612 0.734 1
1 964 . 2 1 1 A 89 89 SER CB C 89 64.421 62.543 1.878 1
1 966 . 2 1 1 A 89 89 SER C C 89 173.462 174.123 -0.661 1
1 968 . 2 1 1 A 90 90 ILE N N 90 127.805 126.941 0.864 1
1 969 . 2 1 1 A 90 90 ILE H H 90 9.536 8.862 0.674 1
1 970 . 2 1 1 A 90 90 ILE CA C 90 61.209 61.479 -0.270 1
1 971 . 2 1 1 A 90 90 ILE HA H 90 4.505 4.323 0.182 1
1 972 . 2 1 1 A 90 90 ILE CB C 90 39.225 37.541 1.684 1
1 984 . 2 1 1 A 90 90 ILE C C 90 174.259 175.379 -1.120 1
1 986 . 2 1 1 A 91 91 LEU N N 91 129.968 128.327 1.641 1
1 987 . 2 1 1 A 91 91 LEU H H 91 9.354 8.647 0.707 1
1 988 . 2 1 1 A 91 91 LEU CA C 91 55.510 53.350 2.160 1
1 989 . 2 1 1 A 91 91 LEU HA H 91 4.774 5.220 -0.446 1
1 990 . 2 1 1 A 91 91 LEU CB C 91 42.674 43.570 -0.896 1
1 1002 . 2 1 1 A 91 91 LEU C C 91 175.517 175.713 -0.196 1
1 1004 . 2 1 1 A 92 92 VAL N N 92 124.859 124.792 0.067 1
1 1005 . 2 1 1 A 92 92 VAL H H 92 9.431 9.045 0.386 1
1 1006 . 2 1 1 A 92 92 VAL CA C 92 61.488 60.768 0.720 1
1 1007 . 2 1 1 A 92 92 VAL HA H 92 4.626 4.798 -0.172 1
1 1008 . 2 1 1 A 92 92 VAL CB C 92 33.437 34.953 -1.516 1
1 1018 . 2 1 1 A 92 92 VAL C C 92 173.589 174.357 -0.768 1
1 1019 . 2 1 1 A 93 93 LYS N N 93 123.909 126.077 -2.168 1
1 1020 . 2 1 1 A 93 93 LYS H H 93 8.660 8.588 0.072 1
1 1021 . 2 1 1 A 93 93 LYS CA C 93 53.953 54.158 -0.205 1
1 1022 . 2 1 1 A 93 93 LYS HA H 93 5.017 5.090 -0.073 1
1 1023 . 2 1 1 A 93 93 LYS CB C 93 36.475 35.729 0.746 1
1 1031 . 2 1 1 A 93 93 LYS C C 93 174.746 174.854 -0.108 1
1 1036 . 2 1 1 A 94 94 TYR N N 94 120.499 123.661 -3.162 1
1 1037 . 2 1 1 A 94 94 TYR H H 94 8.821 9.349 -0.528 1
1 1038 . 2 1 1 A 94 94 TYR CA C 94 56.438 57.491 -1.053 1
1 1039 . 2 1 1 A 94 94 TYR HA H 94 5.161 4.889 0.272 1
1 1040 . 2 1 1 A 94 94 TYR CB C 94 41.931 41.835 0.096 1
1 1050 . 2 1 1 A 94 94 TYR C C 94 176.635 174.946 1.689 1
1 1052 . 2 1 1 A 95 95 ASN N N 95 128.155 126.134 2.021 1
1 1053 . 2 1 1 A 95 95 ASN H H 95 8.872 8.748 0.124 1
1 1054 . 2 1 1 A 95 95 ASN CA C 95 54.360 54.108 0.252 1
1 1055 . 2 1 1 A 95 95 ASN HA H 95 4.215 4.383 -0.168 1
1 1056 . 2 1 1 A 95 95 ASN CB C 95 36.735 37.501 -0.766 1
1 1061 . 2 1 1 A 95 95 ASN C C 95 174.592 173.946 0.646 1
1 1063 . 2 1 1 A 96 96 ASP N N 96 110.440 111.531 -1.091 1
1 1064 . 2 1 1 A 96 96 ASP H H 96 9.304 8.532 0.772 1
1 1065 . 2 1 1 A 96 96 ASP CA C 96 55.920 55.491 0.429 1
1 1066 . 2 1 1 A 96 96 ASP HA H 96 4.030 4.182 -0.152 1
1 1067 . 2 1 1 A 96 96 ASP CB C 96 40.704 38.846 1.858 1
1 1069 . 2 1 1 A 96 96 ASP C C 96 174.657 174.709 -0.052 1
1 1071 . 2 1 1 A 97 97 LYS N N 97 118.806 113.594 5.212 1
1 1072 . 2 1 1 A 97 97 LYS H H 97 7.482 7.364 0.118 1
1 1073 . 2 1 1 A 97 97 LYS CA C 97 54.378 55.302 -0.924 1
1 1074 . 2 1 1 A 97 97 LYS HA H 97 4.715 4.678 0.037 1
1 1075 . 2 1 1 A 97 97 LYS CB C 97 35.127 35.058 0.069 1
1 1083 . 2 1 1 A 97 97 LYS C C 97 176.499 174.587 1.912 1
1 1088 . 2 1 1 A 98 98 HIS N N 98 124.063 120.201 3.862 1
1 1089 . 2 1 1 A 98 98 HIS H H 98 8.795 8.792 0.003 1
1 1090 . 2 1 1 A 98 98 HIS CA C 98 58.870 56.191 2.679 1
1 1091 . 2 1 1 A 98 98 HIS HA H 98 4.496 4.746 -0.250 1
1 1092 . 2 1 1 A 98 98 HIS CB C 98 32.178 30.677 1.501 1
1 1098 . 2 1 1 A 98 98 HIS C C 98 177.720 175.556 2.164 1
1 1100 . 2 1 1 A 99 99 ILE N N 99 120.049 121.650 -1.601 1
1 1101 . 2 1 1 A 99 99 ILE H H 99 8.380 8.347 0.033 1
1 1102 . 2 1 1 A 99 99 ILE CA C 99 60.674 59.880 0.794 1
1 1103 . 2 1 1 A 99 99 ILE HA H 99 4.696 4.334 0.362 1
1 1104 . 2 1 1 A 99 99 ILE CB C 99 35.539 37.843 -2.304 1
1 1116 . 2 1 1 A 99 99 ILE C C 99 173.419 175.031 -1.612 1
1 1118 . 2 1 1 A 100 100 PRO CA C 100 65.343 63.818 1.525 1
1 1119 . 2 1 1 A 100 100 PRO HA H 100 4.255 4.246 0.009 1
1 1120 . 2 1 1 A 100 100 PRO CB C 100 31.128 31.298 -0.170 1
1 1126 . 2 1 1 A 100 100 PRO C C 100 176.734 177.435 -0.701 1
1 1130 . 2 1 1 A 101 101 GLY N N 101 113.906 113.313 0.593 1
1 1131 . 2 1 1 A 101 101 GLY H H 101 8.167 8.834 -0.667 1
1 1132 . 2 1 1 A 101 101 GLY CA C 101 44.668 44.980 -0.312 1
1 1133 . 2 1 1 A 101 101 GLY HA3 H 101 3.120 3.884 -0.764 1
1 1134 . 2 1 1 A 101 101 GLY C C 101 171.985 174.143 -2.158 1
1 1135 . 2 1 1 A 101 101 GLY HA2 H 101 4.140 3.864 0.276 1
1 1136 . 2 1 1 A 102 102 SER N N 102 112.418 117.403 -4.985 1
1 1137 . 2 1 1 A 102 102 SER H H 102 7.641 7.298 0.343 1
1 1138 . 2 1 1 A 102 102 SER CA C 102 54.770 55.811 -1.041 1
1 1139 . 2 1 1 A 102 102 SER HA H 102 4.107 4.117 -0.010 1
1 1140 . 2 1 1 A 102 102 SER CB C 102 62.454 63.853 -1.399 1
1 1142 . 2 1 1 A 102 102 SER C C 102 174.682 172.153 2.529 1
1 1144 . 2 1 1 A 103 103 PRO CA C 103 62.301 62.280 0.021 1
1 1145 . 2 1 1 A 103 103 PRO HA H 103 5.363 4.650 0.713 1
1 1146 . 2 1 1 A 103 103 PRO CB C 103 33.964 31.953 2.011 1
1 1152 . 2 1 1 A 103 103 PRO C C 103 176.438 176.330 0.108 1
1 1156 . 2 1 1 A 104 104 PHE N N 104 126.067 120.335 5.732 1
1 1157 . 2 1 1 A 104 104 PHE H H 104 9.449 8.239 1.210 1
1 1158 . 2 1 1 A 104 104 PHE CA C 104 57.102 57.577 -0.475 1
1 1159 . 2 1 1 A 104 104 PHE HA H 104 4.621 4.878 -0.257 1
1 1160 . 2 1 1 A 104 104 PHE CB C 104 40.656 40.735 -0.079 1
1 1170 . 2 1 1 A 104 104 PHE C C 104 176.313 175.870 0.443 1
1 1172 . 2 1 1 A 105 105 THR N N 105 118.402 115.726 2.676 1
1 1173 . 2 1 1 A 105 105 THR H H 105 8.842 8.797 0.045 1
1 1174 . 2 1 1 A 105 105 THR CA C 105 62.018 61.289 0.729 1
1 1175 . 2 1 1 A 105 105 THR HA H 105 5.153 5.096 0.057 1
1 1176 . 2 1 1 A 105 105 THR CB C 105 70.095 70.690 -0.595 1
1 1182 . 2 1 1 A 105 105 THR C C 105 172.525 173.148 -0.623 1
1 1183 . 2 1 1 A 106 106 ALA N N 106 131.132 129.648 1.484 1
1 1184 . 2 1 1 A 106 106 ALA H H 106 9.192 8.496 0.696 1
1 1185 . 2 1 1 A 106 106 ALA CA C 106 50.187 50.516 -0.329 1
1 1186 . 2 1 1 A 106 106 ALA HA H 106 4.435 5.405 -0.970 1
1 1187 . 2 1 1 A 106 106 ALA CB C 106 21.021 20.742 0.279 1
1 1191 . 2 1 1 A 106 106 ALA C C 106 176.136 176.113 0.023 1
1 1192 . 2 1 1 A 107 107 LYS N N 107 122.751 125.074 -2.323 1
1 1193 . 2 1 1 A 107 107 LYS H H 107 7.746 9.016 -1.270 1
1 1194 . 2 1 1 A 107 107 LYS CA C 107 55.652 55.766 -0.114 1
1 1195 . 2 1 1 A 107 107 LYS HA H 107 4.797 4.623 0.174 1
1 1196 . 2 1 1 A 107 107 LYS CB C 107 32.606 32.236 0.370 1
1 1204 . 2 1 1 A 107 107 LYS C C 107 174.648 174.845 -0.197 1
1 1209 . 2 1 1 A 108 108 ILE N N 108 127.629 127.353 0.276 1
1 1210 . 2 1 1 A 108 108 ILE H H 108 9.024 8.461 0.563 1
1 1211 . 2 1 1 A 108 108 ILE CA C 108 56.801 60.687 -3.886 1
1 1212 . 2 1 1 A 108 108 ILE HA H 108 4.688 5.055 -0.367 1
1 1213 . 2 1 1 A 108 108 ILE CB C 108 35.101 39.172 -4.071 1
1 1225 . 2 1 1 A 108 108 ILE C C 108 178.159 175.658 2.501 1
1 1227 . 2 1 1 A 109 109 THR N N 109 121.563 116.404 5.159 1
1 1228 . 2 1 1 A 109 109 THR H H 109 8.861 8.648 0.213 1
1 1229 . 2 1 1 A 109 109 THR CA C 109 60.745 59.724 1.021 1
1 1230 . 2 1 1 A 109 109 THR HA H 109 4.778 5.033 -0.255 1
1 1231 . 2 1 1 A 109 109 THR CB C 109 71.067 72.110 -1.043 1
1 1237 . 2 1 1 A 109 109 THR C C 109 173.421 173.157 0.264 1
1 1238 . 2 1 1 A 110 110 ASP N N 110 119.526 120.069 -0.543 1
1 1239 . 2 1 1 A 110 110 ASP H H 110 8.631 8.477 0.154 1
1 1240 . 2 1 1 A 110 110 ASP CA C 110 53.971 52.636 1.335 1
1 1241 . 2 1 1 A 110 110 ASP HA H 110 4.729 5.158 -0.429 1
1 1242 . 2 1 1 A 110 110 ASP CB C 110 42.087 42.738 -0.651 1
1 1244 . 2 1 1 A 110 110 ASP C C 110 176.124 175.384 0.740 1
1 1246 . 2 1 1 A 111 111 ASP N N 111 122.287 120.836 1.451 1
1 1247 . 2 1 1 A 111 111 ASP H H 111 8.638 9.103 -0.465 1
1 1248 . 2 1 1 A 111 111 ASP CA C 111 54.042 55.848 -1.806 1
1 1249 . 2 1 1 A 111 111 ASP HA H 111 4.644 4.749 -0.105 1
1 1250 . 2 1 1 A 111 111 ASP CB C 111 41.218 42.779 -1.561 1
1 1252 . 2 1 1 A 111 111 ASP C C 111 176.668 175.791 0.877 1
1 1254 . 2 1 1 A 112 112 SER N N 112 117.157 113.271 3.886 1
1 1255 . 2 1 1 A 112 112 SER H H 112 8.416 7.802 0.614 1
1 1256 . 2 1 1 A 112 112 SER CA C 112 59.277 58.121 1.156 1
1 1257 . 2 1 1 A 112 112 SER HA H 112 4.348 4.407 -0.059 1
1 1258 . 2 1 1 A 112 112 SER CB C 112 63.943 62.352 1.591 1
1 1260 . 2 1 1 A 112 112 SER C C 112 174.721 173.640 1.081 1
1 1262 . 2 1 1 A 113 113 ARG N N 113 122.178 127.667 -5.489 1
1 1263 . 2 1 1 A 113 113 ARG H H 113 8.238 8.642 -0.404 1
1 1264 . 2 1 1 A 113 113 ARG CA C 113 56.195 54.990 1.205 1
1 1265 . 2 1 1 A 113 113 ARG HA H 113 4.347 4.727 -0.380 1
1 1266 . 2 1 1 A 113 113 ARG CB C 113 30.470 31.159 -0.689 1
1 1271 . 2 1 1 A 113 113 ARG C C 113 176.207 175.274 0.933 1
1 1275 . 2 1 1 A 114 114 ARG N N 114 122.696 128.536 -5.840 1
1 1276 . 2 1 1 A 114 114 ARG H H 114 8.338 8.789 -0.451 1
1 1277 . 2 1 1 A 114 114 ARG CA C 114 56.164 56.711 -0.547 1
1 1278 . 2 1 1 A 114 114 ARG HA H 114 4.390 4.446 -0.056 1
1 1279 . 2 1 1 A 114 114 ARG CB C 114 30.679 30.923 -0.244 1
1 1285 . 2 1 1 A 114 114 ARG C C 114 175.468 175.567 -0.099 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 44.699 46.560 -1.861 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.124 4.368 -0.244 1
1 3 . 3 1 1 A 7 7 GLY HA2 H 7 4.124 4.367 -0.243 1
1 4 . 3 1 1 A 8 8 PRO CA C 8 63.321 62.543 0.778 1
1 5 . 3 1 1 A 8 8 PRO HA H 8 4.418 4.656 -0.238 1
1 6 . 3 1 1 A 8 8 PRO CB C 8 32.104 29.969 2.135 1
1 12 . 3 1 1 A 8 8 PRO C C 8 177.159 175.757 1.402 1
1 16 . 3 1 1 A 9 9 GLU N N 9 120.837 124.238 -3.401 1
1 17 . 3 1 1 A 9 9 GLU H H 9 8.612 8.438 0.174 1
1 18 . 3 1 1 A 9 9 GLU CA C 9 56.642 54.711 1.931 1
1 19 . 3 1 1 A 9 9 GLU HA H 9 4.282 4.728 -0.446 1
1 20 . 3 1 1 A 9 9 GLU CB C 9 30.181 31.886 -1.705 1
1 24 . 3 1 1 A 9 9 GLU C C 9 176.387 176.120 0.267 1
1 27 . 3 1 1 A 10 10 SER N N 10 117.776 120.726 -2.950 1
1 28 . 3 1 1 A 10 10 SER H H 10 8.264 8.782 -0.518 1
1 29 . 3 1 1 A 10 10 SER CA C 10 56.382 56.991 -0.609 1
1 30 . 3 1 1 A 10 10 SER HA H 10 4.763 4.572 0.191 1
1 31 . 3 1 1 A 10 10 SER CB C 10 63.575 62.762 0.813 1
1 33 . 3 1 1 A 10 10 SER C C 10 172.958 173.887 -0.929 1
1 35 . 3 1 1 A 11 11 PRO CA C 11 63.404 62.792 0.612 1
1 36 . 3 1 1 A 11 11 PRO HA H 11 4.432 4.591 -0.159 1
1 37 . 3 1 1 A 11 11 PRO CB C 11 31.958 32.577 -0.619 1
1 43 . 3 1 1 A 11 11 PRO C C 11 176.922 175.912 1.010 1
1 47 . 3 1 1 A 12 12 LEU N N 12 121.245 116.139 5.106 1
1 48 . 3 1 1 A 12 12 LEU H H 12 8.172 7.940 0.232 1
1 49 . 3 1 1 A 12 12 LEU CA C 12 55.521 53.629 1.892 1
1 50 . 3 1 1 A 12 12 LEU HA H 12 4.236 4.331 -0.095 1
1 51 . 3 1 1 A 12 12 LEU CB C 12 42.138 42.566 -0.428 1
1 63 . 3 1 1 A 12 12 LEU C C 12 177.236 175.924 1.312 1
1 65 . 3 1 1 A 13 13 GLN N N 13 120.086 119.044 1.042 1
1 66 . 3 1 1 A 13 13 GLN H H 13 8.098 7.229 0.869 1
1 67 . 3 1 1 A 13 13 GLN CA C 13 55.785 55.065 0.720 1
1 68 . 3 1 1 A 13 13 GLN HA H 13 4.220 4.389 -0.169 1
1 69 . 3 1 1 A 13 13 GLN CB C 13 29.628 28.848 0.780 1
1 76 . 3 1 1 A 13 13 GLN C C 13 175.243 174.056 1.187 1
1 79 . 3 1 1 A 14 14 PHE N N 14 120.461 123.640 -3.179 1
1 80 . 3 1 1 A 14 14 PHE H H 14 8.056 8.876 -0.820 1
1 81 . 3 1 1 A 14 14 PHE CA C 14 57.739 56.544 1.195 1
1 82 . 3 1 1 A 14 14 PHE HA H 14 4.545 4.988 -0.443 1
1 83 . 3 1 1 A 14 14 PHE CB C 14 39.825 42.040 -2.215 1
1 95 . 3 1 1 A 14 14 PHE C C 14 175.022 174.539 0.483 1
1 97 . 3 1 1 A 15 15 TYR N N 15 121.213 119.274 1.939 1
1 98 . 3 1 1 A 15 15 TYR H H 15 8.004 9.034 -1.030 1
1 99 . 3 1 1 A 15 15 TYR CA C 15 57.756 56.818 0.938 1
1 100 . 3 1 1 A 15 15 TYR HA H 15 4.506 5.046 -0.540 1
1 101 . 3 1 1 A 15 15 TYR CB C 15 39.012 38.231 0.781 1
1 111 . 3 1 1 A 15 15 TYR C C 15 175.174 174.298 0.876 1
1 113 . 3 1 1 A 16 16 VAL N N 16 121.693 119.327 2.366 1
1 114 . 3 1 1 A 16 16 VAL H H 16 7.900 7.651 0.249 1
1 115 . 3 1 1 A 16 16 VAL CA C 16 62.248 62.519 -0.271 1
1 116 . 3 1 1 A 16 16 VAL HA H 16 3.932 3.913 0.019 1
1 117 . 3 1 1 A 16 16 VAL CB C 16 33.023 32.117 0.906 1
1 127 . 3 1 1 A 16 16 VAL C C 16 175.016 175.108 -0.092 1
1 128 . 3 1 1 A 17 17 ASN N N 17 121.488 123.764 -2.276 1
1 129 . 3 1 1 A 17 17 ASN H H 17 8.198 8.494 -0.296 1
1 130 . 3 1 1 A 17 17 ASN CA C 17 52.948 51.871 1.077 1
1 131 . 3 1 1 A 17 17 ASN HA H 17 4.630 5.397 -0.767 1
1 132 . 3 1 1 A 17 17 ASN CB C 17 39.289 42.254 -2.965 1
1 137 . 3 1 1 A 17 17 ASN C C 17 174.167 173.219 0.948 1
1 139 . 3 1 1 A 18 18 TYR N N 18 122.069 125.786 -3.717 1
1 140 . 3 1 1 A 18 18 TYR H H 18 8.117 8.871 -0.754 1
1 141 . 3 1 1 A 18 18 TYR CA C 18 55.970 56.309 -0.339 1
1 142 . 3 1 1 A 18 18 TYR HA H 18 4.771 4.856 -0.085 1
1 143 . 3 1 1 A 18 18 TYR CB C 18 38.260 39.345 -1.085 1
1 153 . 3 1 1 A 18 18 TYR C C 18 173.978 175.765 -1.787 1
1 155 . 3 1 1 A 19 19 PRO CA C 19 63.378 63.720 -0.342 1
1 156 . 3 1 1 A 19 19 PRO HA H 19 4.414 4.548 -0.134 1
1 157 . 3 1 1 A 19 19 PRO CB C 19 32.018 32.226 -0.208 1
1 163 . 3 1 1 A 19 19 PRO C C 19 176.659 176.459 0.200 1
1 167 . 3 1 1 A 20 20 ASN N N 20 118.582 119.539 -0.957 1
1 168 . 3 1 1 A 20 20 ASN H H 20 8.508 7.940 0.568 1
1 169 . 3 1 1 A 20 20 ASN CA C 20 53.334 53.981 -0.647 1
1 170 . 3 1 1 A 20 20 ASN HA H 20 4.756 4.548 0.208 1
1 171 . 3 1 1 A 20 20 ASN CB C 20 38.964 39.401 -0.437 1
1 176 . 3 1 1 A 20 20 ASN C C 20 175.301 175.585 -0.284 1
1 178 . 3 1 1 A 21 21 SER N N 21 115.989 119.444 -3.455 1
1 179 . 3 1 1 A 21 21 SER H H 21 8.360 8.388 -0.028 1
1 180 . 3 1 1 A 21 21 SER CA C 21 58.877 59.318 -0.441 1
1 181 . 3 1 1 A 21 21 SER HA H 21 4.481 4.466 0.015 1
1 182 . 3 1 1 A 21 21 SER CB C 21 63.988 64.126 -0.138 1
1 184 . 3 1 1 A 21 21 SER C C 21 175.006 174.701 0.305 1
1 186 . 3 1 1 A 22 22 GLY N N 22 110.974 109.978 0.996 1
1 187 . 3 1 1 A 22 22 GLY H H 22 8.523 8.316 0.207 1
1 188 . 3 1 1 A 22 22 GLY CA C 22 45.429 46.044 -0.615 1
1 189 . 3 1 1 A 22 22 GLY HA3 H 22 4.074 4.163 -0.089 1
1 190 . 3 1 1 A 22 22 GLY C C 22 173.860 172.039 1.821 1
1 191 . 3 1 1 A 22 22 GLY HA2 H 22 4.074 4.155 -0.081 1
1 192 . 3 1 1 A 23 23 SER N N 23 115.179 118.468 -3.289 1
1 193 . 3 1 1 A 23 23 SER H H 23 8.190 8.804 -0.614 1
1 194 . 3 1 1 A 23 23 SER CA C 23 58.233 56.089 2.144 1
1 195 . 3 1 1 A 23 23 SER HA H 23 4.511 4.783 -0.272 1
1 196 . 3 1 1 A 23 23 SER CB C 23 64.511 64.998 -0.487 1
1 198 . 3 1 1 A 23 23 SER C C 23 173.263 172.034 1.229 1
1 200 . 3 1 1 A 24 24 VAL N N 24 122.289 122.136 0.153 1
1 201 . 3 1 1 A 24 24 VAL H H 24 7.889 8.284 -0.395 1
1 202 . 3 1 1 A 24 24 VAL CA C 24 61.754 60.330 1.424 1
1 203 . 3 1 1 A 24 24 VAL HA H 24 4.567 4.836 -0.269 1
1 204 . 3 1 1 A 24 24 VAL CB C 24 33.612 34.142 -0.530 1
1 214 . 3 1 1 A 24 24 VAL C C 24 174.799 174.694 0.105 1
1 215 . 3 1 1 A 25 25 SER N N 25 118.995 124.461 -5.466 1
1 216 . 3 1 1 A 25 25 SER H H 25 8.244 9.135 -0.891 1
1 217 . 3 1 1 A 25 25 SER CA C 25 57.102 57.748 -0.646 1
1 218 . 3 1 1 A 25 25 SER HA H 25 5.039 5.328 -0.289 1
1 219 . 3 1 1 A 25 25 SER CB C 25 66.338 65.101 1.237 1
1 221 . 3 1 1 A 25 25 SER C C 25 171.718 173.725 -2.007 1
1 223 . 3 1 1 A 26 26 ALA N N 26 121.537 127.819 -6.282 1
1 224 . 3 1 1 A 26 26 ALA H H 26 8.503 9.109 -0.606 1
1 225 . 3 1 1 A 26 26 ALA CA C 26 50.695 50.392 0.303 1
1 226 . 3 1 1 A 26 26 ALA HA H 26 5.637 5.554 0.083 1
1 227 . 3 1 1 A 26 26 ALA CB C 26 23.364 22.178 1.186 1
1 231 . 3 1 1 A 26 26 ALA C C 26 175.355 176.060 -0.705 1
1 232 . 3 1 1 A 27 27 TYR N N 27 116.588 118.385 -1.797 1
1 233 . 3 1 1 A 27 27 TYR H H 27 8.885 8.622 0.263 1
1 234 . 3 1 1 A 27 27 TYR CA C 27 57.013 55.816 1.197 1
1 235 . 3 1 1 A 27 27 TYR HA H 27 4.742 5.100 -0.358 1
1 236 . 3 1 1 A 27 27 TYR CB C 27 40.325 41.858 -1.533 1
1 246 . 3 1 1 A 27 27 TYR C C 27 172.990 173.856 -0.866 1
1 248 . 3 1 1 A 28 28 GLY N N 28 108.423 106.506 1.917 1
1 249 . 3 1 1 A 28 28 GLY H H 28 8.475 8.468 0.007 1
1 250 . 3 1 1 A 28 28 GLY CA C 28 44.439 44.575 -0.136 1
1 251 . 3 1 1 A 28 28 GLY HA3 H 28 4.141 4.129 0.012 1
1 252 . 3 1 1 A 28 28 GLY C C 28 173.419 173.960 -0.541 1
1 253 . 3 1 1 A 28 28 GLY HA2 H 28 5.092 4.108 0.984 1
1 254 . 3 1 1 A 29 29 PRO CA C 29 65.537 63.837 1.700 1
1 255 . 3 1 1 A 29 29 PRO HA H 29 4.298 4.147 0.151 1
1 256 . 3 1 1 A 29 29 PRO CB C 29 31.509 31.660 -0.151 1
1 262 . 3 1 1 A 29 29 PRO C C 29 178.493 177.277 1.216 1
1 266 . 3 1 1 A 30 30 GLY N N 30 102.459 106.488 -4.029 1
1 267 . 3 1 1 A 30 30 GLY H H 30 8.655 8.324 0.331 1
1 268 . 3 1 1 A 30 30 GLY CA C 30 46.245 46.014 0.231 1
1 269 . 3 1 1 A 30 30 GLY HA3 H 30 3.417 4.056 -0.639 1
1 270 . 3 1 1 A 30 30 GLY C C 30 172.945 175.498 -2.553 1
1 271 . 3 1 1 A 30 30 GLY HA2 H 30 4.316 3.965 0.351 1
1 272 . 3 1 1 A 31 31 LEU N N 31 116.436 121.775 -5.339 1
1 273 . 3 1 1 A 31 31 LEU H H 31 7.049 7.600 -0.551 1
1 274 . 3 1 1 A 31 31 LEU CA C 31 55.368 57.492 -2.124 1
1 275 . 3 1 1 A 31 31 LEU HA H 31 3.784 4.060 -0.276 1
1 276 . 3 1 1 A 31 31 LEU CB C 31 42.148 41.652 0.496 1
1 288 . 3 1 1 A 31 31 LEU C C 31 175.321 178.938 -3.617 1
1 290 . 3 1 1 A 32 32 VAL N N 32 112.078 117.983 -5.905 1
1 291 . 3 1 1 A 32 32 VAL H H 32 7.739 6.903 0.836 1
1 292 . 3 1 1 A 32 32 VAL CA C 32 62.956 64.740 -1.784 1
1 293 . 3 1 1 A 32 32 VAL HA H 32 4.574 3.745 0.829 1
1 294 . 3 1 1 A 32 32 VAL CB C 32 35.415 31.742 3.673 1
1 304 . 3 1 1 A 32 32 VAL C C 32 176.810 175.821 0.989 1
1 305 . 3 1 1 A 33 33 TYR N N 33 121.116 115.835 5.281 1
1 306 . 3 1 1 A 33 33 TYR H H 33 8.638 7.377 1.261 1
1 307 . 3 1 1 A 33 33 TYR CA C 33 56.523 56.052 0.471 1
1 308 . 3 1 1 A 33 33 TYR HA H 33 5.639 4.938 0.701 1
1 309 . 3 1 1 A 33 33 TYR CB C 33 42.165 40.489 1.676 1
1 319 . 3 1 1 A 33 33 TYR C C 33 172.858 173.746 -0.888 1
1 321 . 3 1 1 A 34 34 GLY N N 34 107.313 106.746 0.567 1
1 322 . 3 1 1 A 34 34 GLY H H 34 7.637 8.587 -0.950 1
1 323 . 3 1 1 A 34 34 GLY CA C 34 44.721 45.714 -0.993 1
1 324 . 3 1 1 A 34 34 GLY HA3 H 34 3.793 4.479 -0.686 1
1 325 . 3 1 1 A 34 34 GLY C C 34 170.727 171.692 -0.965 1
1 326 . 3 1 1 A 34 34 GLY HA2 H 34 3.873 4.429 -0.556 1
1 327 . 3 1 1 A 35 35 VAL N N 35 120.853 119.923 0.930 1
1 328 . 3 1 1 A 35 35 VAL H H 35 8.731 8.352 0.379 1
1 329 . 3 1 1 A 35 35 VAL CA C 35 60.627 60.393 0.234 1
1 330 . 3 1 1 A 35 35 VAL HA H 35 4.589 4.780 -0.191 1
1 331 . 3 1 1 A 35 35 VAL CB C 35 35.374 35.361 0.013 1
1 341 . 3 1 1 A 35 35 VAL C C 35 174.813 175.447 -0.634 1
1 342 . 3 1 1 A 36 36 ALA N N 36 127.708 130.754 -3.046 1
1 343 . 3 1 1 A 36 36 ALA H H 36 8.482 8.861 -0.379 1
1 344 . 3 1 1 A 36 36 ALA CA C 36 53.332 53.280 0.052 1
1 345 . 3 1 1 A 36 36 ALA HA H 36 3.535 4.095 -0.560 1
1 346 . 3 1 1 A 36 36 ALA CB C 36 17.653 18.614 -0.961 1
1 350 . 3 1 1 A 36 36 ALA C C 36 176.968 178.118 -1.150 1
1 351 . 3 1 1 A 37 37 ASN N N 37 111.234 116.479 -5.245 1
1 352 . 3 1 1 A 37 37 ASN H H 37 9.147 9.047 0.100 1
1 353 . 3 1 1 A 37 37 ASN CA C 37 55.728 54.365 1.363 1
1 354 . 3 1 1 A 37 37 ASN HA H 37 3.962 4.267 -0.305 1
1 355 . 3 1 1 A 37 37 ASN CB C 37 37.147 37.156 -0.009 1
1 360 . 3 1 1 A 37 37 ASN C C 37 173.119 173.671 -0.552 1
1 362 . 3 1 1 A 38 38 LYS N N 38 119.100 117.967 1.133 1
1 363 . 3 1 1 A 38 38 LYS H H 38 7.972 7.295 0.677 1
1 364 . 3 1 1 A 38 38 LYS CA C 38 54.306 55.104 -0.798 1
1 365 . 3 1 1 A 38 38 LYS HA H 38 4.606 4.853 -0.247 1
1 366 . 3 1 1 A 38 38 LYS CB C 38 34.799 35.711 -0.912 1
1 374 . 3 1 1 A 38 38 LYS C C 38 175.533 174.812 0.721 1
1 379 . 3 1 1 A 39 39 THR N N 39 114.730 116.726 -1.996 1
1 380 . 3 1 1 A 39 39 THR H H 39 8.158 8.461 -0.303 1
1 381 . 3 1 1 A 39 39 THR CA C 39 63.302 61.953 1.349 1
1 382 . 3 1 1 A 39 39 THR HA H 39 4.138 4.208 -0.070 1
1 383 . 3 1 1 A 39 39 THR CB C 39 69.652 69.220 0.432 1
1 389 . 3 1 1 A 39 39 THR C C 39 174.281 174.206 0.075 1
1 390 . 3 1 1 A 40 40 ALA N N 40 129.891 126.665 3.226 1
1 391 . 3 1 1 A 40 40 ALA H H 40 8.750 8.077 0.673 1
1 392 . 3 1 1 A 40 40 ALA CA C 40 50.399 50.898 -0.499 1
1 393 . 3 1 1 A 40 40 ALA HA H 40 4.702 5.069 -0.367 1
1 394 . 3 1 1 A 40 40 ALA CB C 40 20.495 22.259 -1.764 1
1 398 . 3 1 1 A 40 40 ALA C C 40 176.039 175.161 0.878 1
1 399 . 3 1 1 A 41 41 THR N N 41 112.902 116.170 -3.268 1
1 400 . 3 1 1 A 41 41 THR H H 41 8.536 8.605 -0.069 1
1 401 . 3 1 1 A 41 41 THR CA C 41 59.688 59.914 -0.226 1
1 402 . 3 1 1 A 41 41 THR HA H 41 5.779 5.233 0.546 1
1 403 . 3 1 1 A 41 41 THR CB C 41 72.348 71.662 0.686 1
1 409 . 3 1 1 A 41 41 THR C C 41 173.286 172.766 0.520 1
1 410 . 3 1 1 A 42 42 PHE N N 42 119.525 121.936 -2.411 1
1 411 . 3 1 1 A 42 42 PHE H H 42 8.825 8.080 0.745 1
1 412 . 3 1 1 A 42 42 PHE CA C 42 57.031 54.975 2.056 1
1 413 . 3 1 1 A 42 42 PHE HA H 42 5.013 5.663 -0.650 1
1 414 . 3 1 1 A 42 42 PHE CB C 42 40.155 42.521 -2.366 1
1 426 . 3 1 1 A 42 42 PHE C C 42 171.282 173.546 -2.264 1
1 428 . 3 1 1 A 43 43 THR N N 43 117.427 115.398 2.029 1
1 429 . 3 1 1 A 43 43 THR H H 43 9.210 8.315 0.895 1
1 430 . 3 1 1 A 43 43 THR CA C 43 62.250 61.111 1.139 1
1 431 . 3 1 1 A 43 43 THR HA H 43 4.987 4.854 0.133 1
1 432 . 3 1 1 A 43 43 THR CB C 43 71.510 70.806 0.704 1
1 438 . 3 1 1 A 43 43 THR C C 43 173.061 173.329 -0.268 1
1 439 . 3 1 1 A 44 44 ILE N N 44 123.638 123.601 0.037 1
1 440 . 3 1 1 A 44 44 ILE H H 44 8.859 8.634 0.225 1
1 441 . 3 1 1 A 44 44 ILE CA C 44 59.843 60.218 -0.375 1
1 442 . 3 1 1 A 44 44 ILE HA H 44 4.824 4.811 0.013 1
1 443 . 3 1 1 A 44 44 ILE CB C 44 40.866 42.436 -1.570 1
1 455 . 3 1 1 A 44 44 ILE C C 44 174.707 174.737 -0.030 1
1 457 . 3 1 1 A 45 45 VAL N N 45 128.904 126.664 2.240 1
1 458 . 3 1 1 A 45 45 VAL H H 45 9.299 8.684 0.615 1
1 459 . 3 1 1 A 45 45 VAL CA C 45 62.119 62.407 -0.288 1
1 460 . 3 1 1 A 45 45 VAL HA H 45 4.492 4.296 0.196 1
1 461 . 3 1 1 A 45 45 VAL CB C 45 32.683 31.140 1.543 1
1 471 . 3 1 1 A 45 45 VAL C C 45 175.606 175.643 -0.037 1
1 472 . 3 1 1 A 46 46 THR N N 46 117.412 123.145 -5.733 1
1 473 . 3 1 1 A 46 46 THR H H 46 8.434 8.276 0.158 1
1 474 . 3 1 1 A 46 46 THR CA C 46 60.650 66.024 -5.374 1
1 475 . 3 1 1 A 46 46 THR HA H 46 4.505 3.763 0.742 1
1 476 . 3 1 1 A 46 46 THR CB C 46 69.432 68.929 0.503 1
1 482 . 3 1 1 A 46 46 THR C C 46 174.882 174.506 0.376 1
1 483 . 3 1 1 A 47 47 GLU N N 47 122.657 117.896 4.761 1
1 484 . 3 1 1 A 47 47 GLU H H 47 8.052 8.140 -0.088 1
1 485 . 3 1 1 A 47 47 GLU CA C 47 57.419 57.901 -0.482 1
1 486 . 3 1 1 A 47 47 GLU HA H 47 4.231 3.922 0.309 1
1 487 . 3 1 1 A 47 47 GLU CB C 47 30.281 27.955 2.326 1
1 491 . 3 1 1 A 47 47 GLU C C 47 175.887 176.045 -0.158 1
1 494 . 3 1 1 A 48 48 ASP N N 48 120.269 118.896 1.373 1
1 495 . 3 1 1 A 48 48 ASP H H 48 8.536 8.430 0.106 1
1 496 . 3 1 1 A 48 48 ASP CA C 48 54.396 55.118 -0.722 1
1 497 . 3 1 1 A 48 48 ASP HA H 48 4.638 4.418 0.220 1
1 498 . 3 1 1 A 48 48 ASP CB C 48 40.979 39.934 1.045 1
1 500 . 3 1 1 A 48 48 ASP C C 48 175.709 176.421 -0.712 1
1 502 . 3 1 1 A 49 49 ALA N N 49 122.506 121.119 1.387 1
1 503 . 3 1 1 A 49 49 ALA H H 49 8.109 7.954 0.155 1
1 504 . 3 1 1 A 49 49 ALA CA C 49 52.774 54.279 -1.505 1
1 505 . 3 1 1 A 49 49 ALA HA H 49 4.195 4.066 0.129 1
1 506 . 3 1 1 A 49 49 ALA CB C 49 19.343 19.451 -0.108 1
1 510 . 3 1 1 A 49 49 ALA C C 49 178.316 177.925 0.391 1
1 511 . 3 1 1 A 50 50 GLY N N 50 107.563 102.197 5.366 1
1 512 . 3 1 1 A 50 50 GLY H H 50 8.269 7.686 0.583 1
1 513 . 3 1 1 A 50 50 GLY CA C 50 45.288 44.118 1.170 1
1 514 . 3 1 1 A 50 50 GLY HA3 H 50 3.993 4.164 -0.171 1
1 515 . 3 1 1 A 50 50 GLY C C 50 174.421 171.905 2.516 1
1 516 . 3 1 1 A 50 50 GLY HA2 H 50 3.993 4.152 -0.159 1
1 517 . 3 1 1 A 51 51 GLU N N 51 121.358 120.061 1.297 1
1 518 . 3 1 1 A 51 51 GLU H H 51 8.519 8.551 -0.032 1
1 519 . 3 1 1 A 51 51 GLU CA C 51 56.890 55.478 1.412 1
1 520 . 3 1 1 A 51 51 GLU HA H 51 4.309 4.470 -0.161 1
1 521 . 3 1 1 A 51 51 GLU CB C 51 30.204 29.392 0.812 1
1 525 . 3 1 1 A 51 51 GLU C C 51 177.003 175.681 1.322 1
1 528 . 3 1 1 A 52 52 GLY N N 52 109.575 113.712 -4.137 1
1 529 . 3 1 1 A 52 52 GLY H H 52 8.349 8.548 -0.199 1
1 530 . 3 1 1 A 52 52 GLY CA C 52 45.571 46.189 -0.618 1
1 531 . 3 1 1 A 52 52 GLY HA3 H 52 3.895 3.948 -0.053 1
1 532 . 3 1 1 A 52 52 GLY C C 52 173.666 174.604 -0.938 1
1 533 . 3 1 1 A 52 52 GLY HA2 H 52 3.810 3.936 -0.126 1
1 534 . 3 1 1 A 53 53 GLY N N 53 106.657 103.965 2.692 1
1 535 . 3 1 1 A 53 53 GLY H H 53 7.893 7.205 0.688 1
1 536 . 3 1 1 A 53 53 GLY CA C 53 45.199 45.652 -0.453 1
1 537 . 3 1 1 A 53 53 GLY HA3 H 53 3.613 4.014 -0.401 1
1 538 . 3 1 1 A 53 53 GLY C C 53 173.414 172.284 1.130 1
1 539 . 3 1 1 A 53 53 GLY HA2 H 53 4.036 4.003 0.033 1
1 540 . 3 1 1 A 54 54 LEU N N 54 124.121 126.687 -2.566 1
1 541 . 3 1 1 A 54 54 LEU H H 54 8.241 8.625 -0.384 1
1 542 . 3 1 1 A 54 54 LEU CA C 54 54.528 54.160 0.368 1
1 543 . 3 1 1 A 54 54 LEU HA H 54 5.056 4.731 0.325 1
1 544 . 3 1 1 A 54 54 LEU CB C 54 44.325 43.762 0.563 1
1 556 . 3 1 1 A 54 54 LEU C C 54 176.080 174.902 1.178 1
1 558 . 3 1 1 A 55 55 ASP N N 55 126.024 127.778 -1.754 1
1 559 . 3 1 1 A 55 55 ASP H H 55 8.981 9.174 -0.193 1
1 560 . 3 1 1 A 55 55 ASP CA C 55 54.095 52.844 1.251 1
1 561 . 3 1 1 A 55 55 ASP HA H 55 4.879 5.327 -0.448 1
1 562 . 3 1 1 A 55 55 ASP CB C 55 44.582 44.710 -0.128 1
1 564 . 3 1 1 A 55 55 ASP C C 55 173.601 174.233 -0.632 1
1 566 . 3 1 1 A 56 56 LEU N N 56 125.098 125.054 0.044 1
1 567 . 3 1 1 A 56 56 LEU H H 56 8.300 8.904 -0.604 1
1 568 . 3 1 1 A 56 56 LEU CA C 56 53.221 53.482 -0.261 1
1 569 . 3 1 1 A 56 56 LEU HA H 56 5.422 5.174 0.248 1
1 570 . 3 1 1 A 56 56 LEU CB C 56 46.028 45.941 0.087 1
1 582 . 3 1 1 A 56 56 LEU C C 56 175.700 175.412 0.288 1
1 584 . 3 1 1 A 57 57 ALA N N 57 125.664 123.199 2.465 1
1 585 . 3 1 1 A 57 57 ALA H H 57 8.840 8.338 0.502 1
1 586 . 3 1 1 A 57 57 ALA CA C 57 51.851 52.026 -0.175 1
1 587 . 3 1 1 A 57 57 ALA HA H 57 4.600 4.930 -0.330 1
1 588 . 3 1 1 A 57 57 ALA CB C 57 22.862 21.412 1.450 1
1 592 . 3 1 1 A 57 57 ALA C C 57 174.504 175.647 -1.143 1
1 593 . 3 1 1 A 58 58 ILE N N 58 119.429 123.641 -4.212 1
1 594 . 3 1 1 A 58 58 ILE H H 58 8.617 8.696 -0.079 1
1 595 . 3 1 1 A 58 58 ILE CA C 58 60.143 59.471 0.672 1
1 596 . 3 1 1 A 58 58 ILE HA H 58 5.272 5.022 0.250 1
1 597 . 3 1 1 A 58 58 ILE CB C 58 41.068 40.515 0.553 1
1 609 . 3 1 1 A 58 58 ILE C C 58 175.328 174.961 0.367 1
1 611 . 3 1 1 A 59 59 GLU N N 59 128.665 123.824 4.841 1
1 612 . 3 1 1 A 59 59 GLU H H 59 9.315 8.710 0.605 1
1 613 . 3 1 1 A 59 59 GLU CA C 59 54.166 54.816 -0.650 1
1 614 . 3 1 1 A 59 59 GLU HA H 59 4.920 5.240 -0.320 1
1 615 . 3 1 1 A 59 59 GLU CB C 59 32.698 33.389 -0.691 1
1 619 . 3 1 1 A 59 59 GLU C C 59 175.108 175.918 -0.810 1
1 622 . 3 1 1 A 60 60 GLY N N 60 110.929 109.426 1.503 1
1 623 . 3 1 1 A 60 60 GLY H H 60 8.427 8.387 0.040 1
1 624 . 3 1 1 A 60 60 GLY CA C 60 45.608 45.027 0.581 1
1 625 . 3 1 1 A 60 60 GLY HA3 H 60 3.927 4.083 -0.156 1
1 626 . 3 1 1 A 60 60 GLY C C 60 171.379 174.186 -2.807 1
1 627 . 3 1 1 A 60 60 GLY HA2 H 60 3.531 3.948 -0.417 1
1 628 . 3 1 1 A 61 61 PRO CA C 61 64.103 63.925 0.178 1
1 629 . 3 1 1 A 61 61 PRO HA H 61 4.270 4.407 -0.137 1
1 630 . 3 1 1 A 61 61 PRO CB C 61 32.206 31.945 0.261 1
1 636 . 3 1 1 A 61 61 PRO C C 61 176.075 176.013 0.062 1
1 640 . 3 1 1 A 62 62 SER N N 62 108.474 111.862 -3.388 1
1 641 . 3 1 1 A 62 62 SER H H 62 7.099 7.563 -0.464 1
1 642 . 3 1 1 A 62 62 SER CA C 62 56.398 56.825 -0.427 1
1 643 . 3 1 1 A 62 62 SER HA H 62 4.655 4.813 -0.158 1
1 644 . 3 1 1 A 62 62 SER CB C 62 67.457 65.590 1.867 1
1 646 . 3 1 1 A 62 62 SER C C 62 172.805 172.689 0.116 1
1 648 . 3 1 1 A 63 63 LYS N N 63 122.679 125.646 -2.967 1
1 649 . 3 1 1 A 63 63 LYS H H 63 8.653 8.462 0.191 1
1 650 . 3 1 1 A 63 63 LYS CA C 63 55.822 56.476 -0.654 1
1 651 . 3 1 1 A 63 63 LYS HA H 63 4.449 4.558 -0.109 1
1 652 . 3 1 1 A 63 63 LYS CB C 63 31.384 33.279 -1.895 1
1 660 . 3 1 1 A 63 63 LYS C C 63 175.601 175.472 0.129 1
1 665 . 3 1 1 A 64 64 ALA N N 64 130.710 128.038 2.672 1
1 666 . 3 1 1 A 64 64 ALA H H 64 8.690 8.473 0.217 1
1 667 . 3 1 1 A 64 64 ALA CA C 64 51.425 50.632 0.793 1
1 668 . 3 1 1 A 64 64 ALA HA H 64 4.578 5.182 -0.604 1
1 669 . 3 1 1 A 64 64 ALA CB C 64 19.803 22.629 -2.826 1
1 673 . 3 1 1 A 64 64 ALA C C 64 176.395 176.256 0.139 1
1 674 . 3 1 1 A 65 65 GLU N N 65 123.534 121.981 1.553 1
1 675 . 3 1 1 A 65 65 GLU H H 65 8.397 8.746 -0.349 1
1 676 . 3 1 1 A 65 65 GLU CA C 65 56.854 57.232 -0.378 1
1 677 . 3 1 1 A 65 65 GLU HA H 65 4.278 4.480 -0.202 1
1 678 . 3 1 1 A 65 65 GLU CB C 65 30.346 30.913 -0.567 1
1 682 . 3 1 1 A 65 65 GLU C C 65 176.381 175.967 0.414 1
1 685 . 3 1 1 A 66 66 ILE N N 66 124.380 120.793 3.587 1
1 686 . 3 1 1 A 66 66 ILE H H 66 8.541 8.458 0.083 1
1 687 . 3 1 1 A 66 66 ILE CA C 66 60.568 59.876 0.692 1
1 688 . 3 1 1 A 66 66 ILE HA H 66 4.865 4.975 -0.110 1
1 689 . 3 1 1 A 66 66 ILE CB C 66 41.804 42.280 -0.476 1
1 701 . 3 1 1 A 66 66 ILE C C 66 175.421 174.817 0.604 1
1 703 . 3 1 1 A 67 67 SER N N 67 122.057 121.169 0.888 1
1 704 . 3 1 1 A 67 67 SER H H 67 9.035 9.022 0.013 1
1 705 . 3 1 1 A 67 67 SER CA C 67 56.908 56.954 -0.046 1
1 706 . 3 1 1 A 67 67 SER HA H 67 4.729 5.282 -0.553 1
1 707 . 3 1 1 A 67 67 SER CB C 67 64.980 64.530 0.450 1
1 709 . 3 1 1 A 67 67 SER C C 67 172.294 173.273 -0.979 1
1 711 . 3 1 1 A 68 68 CYS N N 68 124.699 123.215 1.484 1
1 712 . 3 1 1 A 68 68 CYS H H 68 8.732 8.778 -0.046 1
1 713 . 3 1 1 A 68 68 CYS CA C 68 57.310 58.273 -0.963 1
1 714 . 3 1 1 A 68 68 CYS HA H 68 5.038 4.919 0.119 1
1 715 . 3 1 1 A 68 68 CYS CB C 68 28.380 28.902 -0.522 1
1 717 . 3 1 1 A 68 68 CYS C C 68 173.135 174.356 -1.221 1
1 719 . 3 1 1 A 69 69 ILE N N 69 128.680 122.868 5.812 1
1 720 . 3 1 1 A 69 69 ILE H H 69 8.757 8.525 0.232 1
1 721 . 3 1 1 A 69 69 ILE CA C 69 59.153 60.098 -0.945 1
1 722 . 3 1 1 A 69 69 ILE HA H 69 4.350 4.654 -0.304 1
1 723 . 3 1 1 A 69 69 ILE CB C 69 40.750 42.197 -1.447 1
1 735 . 3 1 1 A 69 69 ILE C C 69 174.363 173.592 0.771 1
1 737 . 3 1 1 A 70 70 ASP N N 70 126.290 127.356 -1.066 1
1 738 . 3 1 1 A 70 70 ASP H H 70 8.596 8.924 -0.328 1
1 739 . 3 1 1 A 70 70 ASP CA C 70 53.671 53.878 -0.207 1
1 740 . 3 1 1 A 70 70 ASP HA H 70 4.892 5.068 -0.176 1
1 741 . 3 1 1 A 70 70 ASP CB C 70 41.069 42.428 -1.359 1
1 743 . 3 1 1 A 70 70 ASP C C 70 176.812 175.178 1.634 1
1 745 . 3 1 1 A 71 71 ASN N N 71 125.163 122.935 2.228 1
1 746 . 3 1 1 A 71 71 ASN H H 71 8.745 8.418 0.327 1
1 747 . 3 1 1 A 71 71 ASN CA C 71 54.626 51.589 3.037 1
1 748 . 3 1 1 A 71 71 ASN HA H 71 4.647 5.123 -0.476 1
1 749 . 3 1 1 A 71 71 ASN CB C 71 38.688 41.229 -2.541 1
1 754 . 3 1 1 A 71 71 ASN C C 71 175.657 176.450 -0.793 1
1 756 . 3 1 1 A 72 72 LYS N N 72 114.425 122.574 -8.149 1
1 757 . 3 1 1 A 72 72 LYS H H 72 9.407 8.871 0.536 1
1 758 . 3 1 1 A 72 72 LYS CA C 72 57.535 58.200 -0.665 1
1 759 . 3 1 1 A 72 72 LYS HA H 72 4.028 4.212 -0.184 1
1 760 . 3 1 1 A 72 72 LYS CB C 72 28.393 32.484 -4.091 1
1 768 . 3 1 1 A 72 72 LYS C C 72 175.123 177.842 -2.719 1
1 773 . 3 1 1 A 73 73 ASP N N 73 117.581 116.251 1.330 1
1 774 . 3 1 1 A 73 73 ASP H H 73 7.881 7.899 -0.018 1
1 775 . 3 1 1 A 73 73 ASP CA C 73 52.274 54.010 -1.736 1
1 776 . 3 1 1 A 73 73 ASP HA H 73 4.769 4.724 0.045 1
1 777 . 3 1 1 A 73 73 ASP CB C 73 41.210 40.999 0.211 1
1 779 . 3 1 1 A 73 73 ASP C C 73 177.197 175.546 1.651 1
1 781 . 3 1 1 A 74 74 GLY N N 74 109.385 108.740 0.645 1
1 782 . 3 1 1 A 74 74 GLY H H 74 8.781 8.110 0.671 1
1 783 . 3 1 1 A 74 74 GLY CA C 74 45.179 46.848 -1.669 1
1 784 . 3 1 1 A 74 74 GLY HA3 H 74 3.673 3.953 -0.280 1
1 785 . 3 1 1 A 74 74 GLY C C 74 173.671 173.583 0.088 1
1 786 . 3 1 1 A 74 74 GLY HA2 H 74 4.469 3.951 0.518 1
1 787 . 3 1 1 A 75 75 THR N N 75 110.220 108.994 1.226 1
1 788 . 3 1 1 A 75 75 THR H H 75 8.179 7.563 0.616 1
1 789 . 3 1 1 A 75 75 THR CA C 75 59.843 59.444 0.399 1
1 790 . 3 1 1 A 75 75 THR HA H 75 5.678 5.214 0.464 1
1 791 . 3 1 1 A 75 75 THR CB C 75 73.810 72.505 1.305 1
1 797 . 3 1 1 A 75 75 THR C C 75 173.912 173.079 0.833 1
1 798 . 3 1 1 A 76 76 CYS N N 76 117.252 121.464 -4.212 1
1 799 . 3 1 1 A 76 76 CYS H H 76 9.295 8.376 0.919 1
1 800 . 3 1 1 A 76 76 CYS CA C 76 56.716 57.500 -0.784 1
1 801 . 3 1 1 A 76 76 CYS HA H 76 5.517 5.199 0.318 1
1 802 . 3 1 1 A 76 76 CYS CB C 76 31.176 29.115 2.061 1
1 804 . 3 1 1 A 76 76 CYS C C 76 174.083 173.266 0.817 1
1 806 . 3 1 1 A 77 77 THR N N 77 121.477 122.385 -0.908 1
1 807 . 3 1 1 A 77 77 THR H H 77 9.137 9.046 0.091 1
1 808 . 3 1 1 A 77 77 THR CA C 77 62.565 61.663 0.902 1
1 809 . 3 1 1 A 77 77 THR HA H 77 4.592 4.675 -0.083 1
1 810 . 3 1 1 A 77 77 THR CB C 77 70.447 68.496 1.951 1
1 816 . 3 1 1 A 77 77 THR C C 77 173.469 173.592 -0.123 1
1 817 . 3 1 1 A 78 78 VAL N N 78 131.586 127.500 4.086 1
1 818 . 3 1 1 A 78 78 VAL H H 78 9.099 8.132 0.967 1
1 819 . 3 1 1 A 78 78 VAL CA C 78 60.604 61.552 -0.948 1
1 820 . 3 1 1 A 78 78 VAL HA H 78 4.672 4.438 0.234 1
1 821 . 3 1 1 A 78 78 VAL CB C 78 32.061 31.488 0.573 1
1 831 . 3 1 1 A 78 78 VAL C C 78 174.618 175.128 -0.510 1
1 832 . 3 1 1 A 79 79 THR N N 79 120.071 123.484 -3.413 1
1 833 . 3 1 1 A 79 79 THR H H 79 8.782 8.440 0.342 1
1 834 . 3 1 1 A 79 79 THR CA C 79 59.685 62.119 -2.434 1
1 835 . 3 1 1 A 79 79 THR HA H 79 5.424 5.015 0.409 1
1 836 . 3 1 1 A 79 79 THR CB C 79 71.374 70.833 0.541 1
1 842 . 3 1 1 A 79 79 THR C C 79 173.250 173.624 -0.374 1
1 843 . 3 1 1 A 80 80 TYR N N 80 120.212 121.063 -0.851 1
1 844 . 3 1 1 A 80 80 TYR H H 80 9.132 8.454 0.678 1
1 845 . 3 1 1 A 80 80 TYR CA C 80 55.554 55.901 -0.347 1
1 846 . 3 1 1 A 80 80 TYR HA H 80 5.686 5.384 0.302 1
1 847 . 3 1 1 A 80 80 TYR CB C 80 42.143 41.426 0.717 1
1 857 . 3 1 1 A 80 80 TYR C C 80 172.856 172.391 0.465 1
1 859 . 3 1 1 A 81 81 LEU N N 81 121.355 123.490 -2.135 1
1 860 . 3 1 1 A 81 81 LEU H H 81 7.729 8.942 -1.213 1
1 861 . 3 1 1 A 81 81 LEU CA C 81 50.912 50.879 0.033 1
1 862 . 3 1 1 A 81 81 LEU HA H 81 4.991 4.681 0.310 1
1 863 . 3 1 1 A 81 81 LEU CB C 81 43.636 45.334 -1.698 1
1 875 . 3 1 1 A 81 81 LEU C C 81 172.982 175.203 -2.221 1
1 877 . 3 1 1 A 82 82 PRO CA C 82 61.629 62.661 -1.032 1
1 878 . 3 1 1 A 82 82 PRO HA H 82 4.587 4.802 -0.215 1
1 879 . 3 1 1 A 82 82 PRO CB C 82 32.091 33.665 -1.574 1
1 885 . 3 1 1 A 82 82 PRO C C 82 177.683 176.778 0.905 1
1 889 . 3 1 1 A 83 83 THR N N 83 112.637 113.051 -0.414 1
1 890 . 3 1 1 A 83 83 THR H H 83 8.438 8.866 -0.428 1
1 891 . 3 1 1 A 83 83 THR CA C 83 62.207 62.809 -0.602 1
1 892 . 3 1 1 A 83 83 THR HA H 83 4.305 4.568 -0.263 1
1 893 . 3 1 1 A 83 83 THR CB C 83 69.155 70.713 -1.558 1
1 899 . 3 1 1 A 83 83 THR C C 83 173.582 174.281 -0.699 1
1 900 . 3 1 1 A 84 84 LEU N N 84 118.186 120.126 -1.940 1
1 901 . 3 1 1 A 84 84 LEU H H 84 6.839 7.462 -0.623 1
1 902 . 3 1 1 A 84 84 LEU CA C 84 51.513 51.579 -0.066 1
1 903 . 3 1 1 A 84 84 LEU HA H 84 4.976 4.937 0.039 1
1 904 . 3 1 1 A 84 84 LEU CB C 84 45.838 45.610 0.228 1
1 916 . 3 1 1 A 84 84 LEU C C 84 175.119 174.369 0.750 1
1 918 . 3 1 1 A 85 85 PRO CA C 85 62.660 63.440 -0.780 1
1 919 . 3 1 1 A 85 85 PRO HA H 85 4.347 4.891 -0.544 1
1 920 . 3 1 1 A 85 85 PRO CB C 85 32.801 31.682 1.119 1
1 926 . 3 1 1 A 85 85 PRO C C 85 174.117 176.257 -2.140 1
1 930 . 3 1 1 A 86 86 GLY N N 86 106.704 108.442 -1.738 1
1 931 . 3 1 1 A 86 86 GLY H H 86 9.065 8.041 1.024 1
1 932 . 3 1 1 A 86 86 GLY CA C 86 44.520 45.579 -1.059 1
1 933 . 3 1 1 A 86 86 GLY HA3 H 86 3.838 4.103 -0.265 1
1 934 . 3 1 1 A 86 86 GLY C C 86 171.468 171.544 -0.076 1
1 935 . 3 1 1 A 86 86 GLY HA2 H 86 4.408 4.008 0.400 1
1 936 . 3 1 1 A 87 87 ASP N N 87 120.573 120.903 -0.330 1
1 937 . 3 1 1 A 87 87 ASP H H 87 8.275 8.578 -0.303 1
1 938 . 3 1 1 A 87 87 ASP CA C 87 53.500 55.313 -1.813 1
1 939 . 3 1 1 A 87 87 ASP HA H 87 5.498 4.535 0.963 1
1 940 . 3 1 1 A 87 87 ASP CB C 87 40.877 40.621 0.256 1
1 942 . 3 1 1 A 87 87 ASP C C 87 176.069 175.694 0.375 1
1 944 . 3 1 1 A 88 88 TYR N N 88 124.115 123.690 0.425 1
1 945 . 3 1 1 A 88 88 TYR H H 88 9.510 8.616 0.894 1
1 946 . 3 1 1 A 88 88 TYR CA C 88 56.667 56.671 -0.004 1
1 947 . 3 1 1 A 88 88 TYR HA H 88 4.983 5.284 -0.301 1
1 948 . 3 1 1 A 88 88 TYR CB C 88 39.633 39.471 0.162 1
1 958 . 3 1 1 A 88 88 TYR C C 88 174.533 174.717 -0.184 1
1 960 . 3 1 1 A 89 89 SER N N 89 118.331 120.031 -1.700 1
1 961 . 3 1 1 A 89 89 SER H H 89 9.200 8.671 0.529 1
1 962 . 3 1 1 A 89 89 SER CA C 89 56.737 57.395 -0.658 1
1 963 . 3 1 1 A 89 89 SER HA H 89 5.346 4.761 0.585 1
1 964 . 3 1 1 A 89 89 SER CB C 89 64.421 63.305 1.116 1
1 966 . 3 1 1 A 89 89 SER C C 89 173.462 173.332 0.130 1
1 968 . 3 1 1 A 90 90 ILE N N 90 127.805 128.084 -0.279 1
1 969 . 3 1 1 A 90 90 ILE H H 90 9.536 8.685 0.851 1
1 970 . 3 1 1 A 90 90 ILE CA C 90 61.209 61.510 -0.301 1
1 971 . 3 1 1 A 90 90 ILE HA H 90 4.505 4.370 0.135 1
1 972 . 3 1 1 A 90 90 ILE CB C 90 39.225 37.846 1.379 1
1 984 . 3 1 1 A 90 90 ILE C C 90 174.259 175.469 -1.210 1
1 986 . 3 1 1 A 91 91 LEU N N 91 129.968 127.155 2.813 1
1 987 . 3 1 1 A 91 91 LEU H H 91 9.354 8.659 0.695 1
1 988 . 3 1 1 A 91 91 LEU CA C 91 55.510 53.397 2.113 1
1 989 . 3 1 1 A 91 91 LEU HA H 91 4.774 5.308 -0.534 1
1 990 . 3 1 1 A 91 91 LEU CB C 91 42.674 44.311 -1.637 1
1 1002 . 3 1 1 A 91 91 LEU C C 91 175.517 175.609 -0.092 1
1 1004 . 3 1 1 A 92 92 VAL N N 92 124.859 124.138 0.721 1
1 1005 . 3 1 1 A 92 92 VAL H H 92 9.431 9.020 0.411 1
1 1006 . 3 1 1 A 92 92 VAL CA C 92 61.488 60.980 0.508 1
1 1007 . 3 1 1 A 92 92 VAL HA H 92 4.626 4.802 -0.176 1
1 1008 . 3 1 1 A 92 92 VAL CB C 92 33.437 35.006 -1.569 1
1 1018 . 3 1 1 A 92 92 VAL C C 92 173.589 173.798 -0.209 1
1 1019 . 3 1 1 A 93 93 LYS N N 93 123.909 129.298 -5.389 1
1 1020 . 3 1 1 A 93 93 LYS H H 93 8.660 8.757 -0.097 1
1 1021 . 3 1 1 A 93 93 LYS CA C 93 53.953 54.359 -0.406 1
1 1022 . 3 1 1 A 93 93 LYS HA H 93 5.017 5.000 0.017 1
1 1023 . 3 1 1 A 93 93 LYS CB C 93 36.475 35.767 0.708 1
1 1031 . 3 1 1 A 93 93 LYS C C 93 174.746 173.527 1.219 1
1 1036 . 3 1 1 A 94 94 TYR N N 94 120.499 127.219 -6.720 1
1 1037 . 3 1 1 A 94 94 TYR H H 94 8.821 8.880 -0.059 1
1 1038 . 3 1 1 A 94 94 TYR CA C 94 56.438 57.153 -0.715 1
1 1039 . 3 1 1 A 94 94 TYR HA H 94 5.161 4.990 0.171 1
1 1040 . 3 1 1 A 94 94 TYR CB C 94 41.931 41.473 0.458 1
1 1050 . 3 1 1 A 94 94 TYR C C 94 176.635 175.176 1.459 1
1 1052 . 3 1 1 A 95 95 ASN N N 95 128.155 125.761 2.394 1
1 1053 . 3 1 1 A 95 95 ASN H H 95 8.872 9.149 -0.277 1
1 1054 . 3 1 1 A 95 95 ASN CA C 95 54.360 54.071 0.289 1
1 1055 . 3 1 1 A 95 95 ASN HA H 95 4.215 4.312 -0.097 1
1 1056 . 3 1 1 A 95 95 ASN CB C 95 36.735 37.403 -0.668 1
1 1061 . 3 1 1 A 95 95 ASN C C 95 174.592 173.940 0.652 1
1 1063 . 3 1 1 A 96 96 ASP N N 96 110.440 111.020 -0.580 1
1 1064 . 3 1 1 A 96 96 ASP H H 96 9.304 8.553 0.751 1
1 1065 . 3 1 1 A 96 96 ASP CA C 96 55.920 55.403 0.517 1
1 1066 . 3 1 1 A 96 96 ASP HA H 96 4.030 4.185 -0.155 1
1 1067 . 3 1 1 A 96 96 ASP CB C 96 40.704 39.110 1.594 1
1 1069 . 3 1 1 A 96 96 ASP C C 96 174.657 174.658 -0.001 1
1 1071 . 3 1 1 A 97 97 LYS N N 97 118.806 113.881 4.925 1
1 1072 . 3 1 1 A 97 97 LYS H H 97 7.482 7.408 0.074 1
1 1073 . 3 1 1 A 97 97 LYS CA C 97 54.378 55.400 -1.022 1
1 1074 . 3 1 1 A 97 97 LYS HA H 97 4.715 4.693 0.022 1
1 1075 . 3 1 1 A 97 97 LYS CB C 97 35.127 35.675 -0.548 1
1 1083 . 3 1 1 A 97 97 LYS C C 97 176.499 175.161 1.338 1
1 1088 . 3 1 1 A 98 98 HIS N N 98 124.063 122.616 1.447 1
1 1089 . 3 1 1 A 98 98 HIS H H 98 8.795 8.750 0.045 1
1 1090 . 3 1 1 A 98 98 HIS CA C 98 58.870 57.334 1.536 1
1 1091 . 3 1 1 A 98 98 HIS HA H 98 4.496 4.547 -0.051 1
1 1092 . 3 1 1 A 98 98 HIS CB C 98 32.178 30.565 1.613 1
1 1098 . 3 1 1 A 98 98 HIS C C 98 177.720 175.842 1.878 1
1 1100 . 3 1 1 A 99 99 ILE N N 99 120.049 120.983 -0.934 1
1 1101 . 3 1 1 A 99 99 ILE H H 99 8.380 8.440 -0.060 1
1 1102 . 3 1 1 A 99 99 ILE CA C 99 60.674 59.581 1.093 1
1 1103 . 3 1 1 A 99 99 ILE HA H 99 4.696 4.527 0.169 1
1 1104 . 3 1 1 A 99 99 ILE CB C 99 35.539 38.040 -2.501 1
1 1116 . 3 1 1 A 99 99 ILE C C 99 173.419 174.584 -1.165 1
1 1118 . 3 1 1 A 100 100 PRO CA C 100 65.343 63.571 1.772 1
1 1119 . 3 1 1 A 100 100 PRO HA H 100 4.255 4.311 -0.056 1
1 1120 . 3 1 1 A 100 100 PRO CB C 100 31.128 31.172 -0.044 1
1 1126 . 3 1 1 A 100 100 PRO C C 100 176.734 177.433 -0.699 1
1 1130 . 3 1 1 A 101 101 GLY N N 101 113.906 113.288 0.618 1
1 1131 . 3 1 1 A 101 101 GLY H H 101 8.167 8.760 -0.593 1
1 1132 . 3 1 1 A 101 101 GLY CA C 101 44.668 45.078 -0.410 1
1 1133 . 3 1 1 A 101 101 GLY HA3 H 101 3.120 4.027 -0.907 1
1 1134 . 3 1 1 A 101 101 GLY C C 101 171.985 174.562 -2.577 1
1 1135 . 3 1 1 A 101 101 GLY HA2 H 101 4.140 3.959 0.181 1
1 1136 . 3 1 1 A 102 102 SER N N 102 112.418 116.686 -4.268 1
1 1137 . 3 1 1 A 102 102 SER H H 102 7.641 7.308 0.333 1
1 1138 . 3 1 1 A 102 102 SER CA C 102 54.770 56.240 -1.470 1
1 1139 . 3 1 1 A 102 102 SER HA H 102 4.107 3.828 0.279 1
1 1140 . 3 1 1 A 102 102 SER CB C 102 62.454 62.887 -0.433 1
1 1142 . 3 1 1 A 102 102 SER C C 102 174.682 172.169 2.513 1
1 1144 . 3 1 1 A 103 103 PRO CA C 103 62.301 62.192 0.109 1
1 1145 . 3 1 1 A 103 103 PRO HA H 103 5.363 4.486 0.877 1
1 1146 . 3 1 1 A 103 103 PRO CB C 103 33.964 32.163 1.801 1
1 1152 . 3 1 1 A 103 103 PRO C C 103 176.438 175.192 1.246 1
1 1156 . 3 1 1 A 104 104 PHE N N 104 126.067 118.940 7.127 1
1 1157 . 3 1 1 A 104 104 PHE H H 104 9.449 8.266 1.183 1
1 1158 . 3 1 1 A 104 104 PHE CA C 104 57.102 57.279 -0.177 1
1 1159 . 3 1 1 A 104 104 PHE HA H 104 4.621 5.024 -0.403 1
1 1160 . 3 1 1 A 104 104 PHE CB C 104 40.656 41.812 -1.156 1
1 1170 . 3 1 1 A 104 104 PHE C C 104 176.313 175.032 1.281 1
1 1172 . 3 1 1 A 105 105 THR N N 105 118.402 116.368 2.034 1
1 1173 . 3 1 1 A 105 105 THR H H 105 8.842 9.081 -0.239 1
1 1174 . 3 1 1 A 105 105 THR CA C 105 62.018 61.899 0.119 1
1 1175 . 3 1 1 A 105 105 THR HA H 105 5.153 4.979 0.174 1
1 1176 . 3 1 1 A 105 105 THR CB C 105 70.095 69.885 0.210 1
1 1182 . 3 1 1 A 105 105 THR C C 105 172.525 173.333 -0.808 1
1 1183 . 3 1 1 A 106 106 ALA N N 106 131.132 130.397 0.735 1
1 1184 . 3 1 1 A 106 106 ALA H H 106 9.192 8.646 0.546 1
1 1185 . 3 1 1 A 106 106 ALA CA C 106 50.187 51.131 -0.944 1
1 1186 . 3 1 1 A 106 106 ALA HA H 106 4.435 4.804 -0.369 1
1 1187 . 3 1 1 A 106 106 ALA CB C 106 21.021 20.142 0.879 1
1 1191 . 3 1 1 A 106 106 ALA C C 106 176.136 176.469 -0.333 1
1 1192 . 3 1 1 A 107 107 LYS N N 107 122.751 125.096 -2.345 1
1 1193 . 3 1 1 A 107 107 LYS H H 107 7.746 8.578 -0.832 1
1 1194 . 3 1 1 A 107 107 LYS CA C 107 55.652 55.798 -0.146 1
1 1195 . 3 1 1 A 107 107 LYS HA H 107 4.797 4.492 0.305 1
1 1196 . 3 1 1 A 107 107 LYS CB C 107 32.606 31.646 0.960 1
1 1204 . 3 1 1 A 107 107 LYS C C 107 174.648 175.023 -0.375 1
1 1209 . 3 1 1 A 108 108 ILE N N 108 127.629 126.614 1.015 1
1 1210 . 3 1 1 A 108 108 ILE H H 108 9.024 8.513 0.511 1
1 1211 . 3 1 1 A 108 108 ILE CA C 108 56.801 61.313 -4.512 1
1 1212 . 3 1 1 A 108 108 ILE HA H 108 4.688 4.889 -0.201 1
1 1213 . 3 1 1 A 108 108 ILE CB C 108 35.101 38.508 -3.407 1
1 1225 . 3 1 1 A 108 108 ILE C C 108 178.159 175.692 2.467 1
1 1227 . 3 1 1 A 109 109 THR N N 109 121.563 116.007 5.556 1
1 1228 . 3 1 1 A 109 109 THR H H 109 8.861 8.631 0.230 1
1 1229 . 3 1 1 A 109 109 THR CA C 109 60.745 59.416 1.329 1
1 1230 . 3 1 1 A 109 109 THR HA H 109 4.778 5.081 -0.303 1
1 1231 . 3 1 1 A 109 109 THR CB C 109 71.067 71.519 -0.452 1
1 1237 . 3 1 1 A 109 109 THR C C 109 173.421 173.284 0.137 1
1 1238 . 3 1 1 A 110 110 ASP N N 110 119.526 121.032 -1.506 1
1 1239 . 3 1 1 A 110 110 ASP H H 110 8.631 8.703 -0.072 1
1 1240 . 3 1 1 A 110 110 ASP CA C 110 53.971 54.090 -0.119 1
1 1241 . 3 1 1 A 110 110 ASP HA H 110 4.729 4.720 0.009 1
1 1242 . 3 1 1 A 110 110 ASP CB C 110 42.087 41.645 0.442 1
1 1244 . 3 1 1 A 110 110 ASP C C 110 176.124 175.800 0.324 1
1 1246 . 3 1 1 A 111 111 ASP N N 111 122.287 123.798 -1.511 1
1 1247 . 3 1 1 A 111 111 ASP H H 111 8.638 9.049 -0.411 1
1 1248 . 3 1 1 A 111 111 ASP CA C 111 54.042 56.057 -2.015 1
1 1249 . 3 1 1 A 111 111 ASP HA H 111 4.644 4.736 -0.092 1
1 1250 . 3 1 1 A 111 111 ASP CB C 111 41.218 42.278 -1.060 1
1 1252 . 3 1 1 A 111 111 ASP C C 111 176.668 176.153 0.515 1
1 1254 . 3 1 1 A 112 112 SER N N 112 117.157 113.824 3.333 1
1 1255 . 3 1 1 A 112 112 SER H H 112 8.416 8.182 0.234 1
1 1256 . 3 1 1 A 112 112 SER CA C 112 59.277 59.296 -0.019 1
1 1257 . 3 1 1 A 112 112 SER HA H 112 4.348 4.049 0.299 1
1 1258 . 3 1 1 A 112 112 SER CB C 112 63.943 62.080 1.863 1
1 1260 . 3 1 1 A 112 112 SER C C 112 174.721 173.452 1.269 1
1 1262 . 3 1 1 A 113 113 ARG N N 113 122.178 119.941 2.237 1
1 1263 . 3 1 1 A 113 113 ARG H H 113 8.238 7.449 0.789 1
1 1264 . 3 1 1 A 113 113 ARG CA C 113 56.195 55.041 1.154 1
1 1265 . 3 1 1 A 113 113 ARG HA H 113 4.347 4.895 -0.548 1
1 1266 . 3 1 1 A 113 113 ARG CB C 113 30.470 33.388 -2.918 1
1 1271 . 3 1 1 A 113 113 ARG C C 113 176.207 174.895 1.312 1
1 1275 . 3 1 1 A 114 114 ARG N N 114 122.696 124.074 -1.378 1
1 1276 . 3 1 1 A 114 114 ARG H H 114 8.338 8.479 -0.141 1
1 1277 . 3 1 1 A 114 114 ARG CA C 114 56.164 54.990 1.174 1
1 1278 . 3 1 1 A 114 114 ARG HA H 114 4.390 4.635 -0.245 1
1 1279 . 3 1 1 A 114 114 ARG CB C 114 30.679 31.163 -0.484 1
1 1285 . 3 1 1 A 114 114 ARG C C 114 175.468 175.132 0.336 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 44.699 46.107 -1.408 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.124 4.379 -0.255 1
1 3 . 4 1 1 A 7 7 GLY HA2 H 7 4.124 4.379 -0.255 1
1 4 . 4 1 1 A 8 8 PRO CA C 8 63.321 62.589 0.732 1
1 5 . 4 1 1 A 8 8 PRO HA H 8 4.418 4.614 -0.196 1
1 6 . 4 1 1 A 8 8 PRO CB C 8 32.104 32.902 -0.798 1
1 12 . 4 1 1 A 8 8 PRO C C 8 177.159 175.499 1.660 1
1 16 . 4 1 1 A 9 9 GLU N N 9 120.837 120.740 0.097 1
1 17 . 4 1 1 A 9 9 GLU H H 9 8.612 8.586 0.026 1
1 18 . 4 1 1 A 9 9 GLU CA C 9 56.642 55.701 0.941 1
1 19 . 4 1 1 A 9 9 GLU HA H 9 4.282 4.687 -0.405 1
1 20 . 4 1 1 A 9 9 GLU CB C 9 30.181 30.049 0.132 1
1 24 . 4 1 1 A 9 9 GLU C C 9 176.387 175.148 1.239 1
1 27 . 4 1 1 A 10 10 SER N N 10 117.776 118.540 -0.764 1
1 28 . 4 1 1 A 10 10 SER H H 10 8.264 8.793 -0.529 1
1 29 . 4 1 1 A 10 10 SER CA C 10 56.382 55.090 1.292 1
1 30 . 4 1 1 A 10 10 SER HA H 10 4.763 5.158 -0.395 1
1 31 . 4 1 1 A 10 10 SER CB C 10 63.575 63.541 0.034 1
1 33 . 4 1 1 A 10 10 SER C C 10 172.958 172.865 0.093 1
1 35 . 4 1 1 A 11 11 PRO CA C 11 63.404 62.638 0.766 1
1 36 . 4 1 1 A 11 11 PRO HA H 11 4.432 4.739 -0.307 1
1 37 . 4 1 1 A 11 11 PRO CB C 11 31.958 31.030 0.928 1
1 43 . 4 1 1 A 11 11 PRO C C 11 176.922 175.385 1.537 1
1 47 . 4 1 1 A 12 12 LEU N N 12 121.245 124.078 -2.833 1
1 48 . 4 1 1 A 12 12 LEU H H 12 8.172 8.435 -0.263 1
1 49 . 4 1 1 A 12 12 LEU CA C 12 55.521 52.961 2.560 1
1 50 . 4 1 1 A 12 12 LEU HA H 12 4.236 4.785 -0.549 1
1 51 . 4 1 1 A 12 12 LEU CB C 12 42.138 45.356 -3.218 1
1 63 . 4 1 1 A 12 12 LEU C C 12 177.236 175.915 1.321 1
1 65 . 4 1 1 A 13 13 GLN N N 13 120.086 122.818 -2.732 1
1 66 . 4 1 1 A 13 13 GLN H H 13 8.098 8.217 -0.119 1
1 67 . 4 1 1 A 13 13 GLN CA C 13 55.785 56.503 -0.718 1
1 68 . 4 1 1 A 13 13 GLN HA H 13 4.220 4.185 0.035 1
1 69 . 4 1 1 A 13 13 GLN CB C 13 29.628 29.525 0.103 1
1 76 . 4 1 1 A 13 13 GLN C C 13 175.243 175.244 -0.001 1
1 79 . 4 1 1 A 14 14 PHE N N 14 120.461 119.091 1.370 1
1 80 . 4 1 1 A 14 14 PHE H H 14 8.056 8.807 -0.751 1
1 81 . 4 1 1 A 14 14 PHE CA C 14 57.739 56.478 1.261 1
1 82 . 4 1 1 A 14 14 PHE HA H 14 4.545 4.855 -0.310 1
1 83 . 4 1 1 A 14 14 PHE CB C 14 39.825 42.876 -3.051 1
1 95 . 4 1 1 A 14 14 PHE C C 14 175.022 175.457 -0.435 1
1 97 . 4 1 1 A 15 15 TYR N N 15 121.213 121.056 0.157 1
1 98 . 4 1 1 A 15 15 TYR H H 15 8.004 8.712 -0.708 1
1 99 . 4 1 1 A 15 15 TYR CA C 15 57.756 56.915 0.841 1
1 100 . 4 1 1 A 15 15 TYR HA H 15 4.506 5.018 -0.512 1
1 101 . 4 1 1 A 15 15 TYR CB C 15 39.012 40.811 -1.799 1
1 111 . 4 1 1 A 15 15 TYR C C 15 175.174 175.640 -0.466 1
1 113 . 4 1 1 A 16 16 VAL N N 16 121.693 121.146 0.547 1
1 114 . 4 1 1 A 16 16 VAL H H 16 7.900 8.745 -0.845 1
1 115 . 4 1 1 A 16 16 VAL CA C 16 62.248 62.808 -0.560 1
1 116 . 4 1 1 A 16 16 VAL HA H 16 3.932 4.152 -0.220 1
1 117 . 4 1 1 A 16 16 VAL CB C 16 33.023 32.386 0.637 1
1 127 . 4 1 1 A 16 16 VAL C C 16 175.016 176.367 -1.351 1
1 128 . 4 1 1 A 17 17 ASN N N 17 121.488 125.308 -3.820 1
1 129 . 4 1 1 A 17 17 ASN H H 17 8.198 8.714 -0.516 1
1 130 . 4 1 1 A 17 17 ASN CA C 17 52.948 53.853 -0.905 1
1 131 . 4 1 1 A 17 17 ASN HA H 17 4.630 4.902 -0.272 1
1 132 . 4 1 1 A 17 17 ASN CB C 17 39.289 38.807 0.482 1
1 137 . 4 1 1 A 17 17 ASN C C 17 174.167 175.393 -1.226 1
1 139 . 4 1 1 A 18 18 TYR N N 18 122.069 121.561 0.508 1
1 140 . 4 1 1 A 18 18 TYR H H 18 8.117 9.160 -1.043 1
1 141 . 4 1 1 A 18 18 TYR CA C 18 55.970 56.439 -0.469 1
1 142 . 4 1 1 A 18 18 TYR HA H 18 4.771 4.728 0.043 1
1 143 . 4 1 1 A 18 18 TYR CB C 18 38.260 39.502 -1.242 1
1 153 . 4 1 1 A 18 18 TYR C C 18 173.978 175.772 -1.794 1
1 155 . 4 1 1 A 19 19 PRO CA C 19 63.378 64.079 -0.701 1
1 156 . 4 1 1 A 19 19 PRO HA H 19 4.414 4.445 -0.031 1
1 157 . 4 1 1 A 19 19 PRO CB C 19 32.018 32.064 -0.046 1
1 163 . 4 1 1 A 19 19 PRO C C 19 176.659 177.041 -0.382 1
1 167 . 4 1 1 A 20 20 ASN N N 20 118.582 117.484 1.098 1
1 168 . 4 1 1 A 20 20 ASN H H 20 8.508 8.604 -0.096 1
1 169 . 4 1 1 A 20 20 ASN CA C 20 53.334 56.266 -2.932 1
1 170 . 4 1 1 A 20 20 ASN HA H 20 4.756 4.447 0.309 1
1 171 . 4 1 1 A 20 20 ASN CB C 20 38.964 38.926 0.038 1
1 176 . 4 1 1 A 20 20 ASN C C 20 175.301 176.833 -1.532 1
1 178 . 4 1 1 A 21 21 SER N N 21 115.989 110.188 5.801 1
1 179 . 4 1 1 A 21 21 SER H H 21 8.360 7.985 0.375 1
1 180 . 4 1 1 A 21 21 SER CA C 21 58.877 57.321 1.556 1
1 181 . 4 1 1 A 21 21 SER HA H 21 4.481 4.620 -0.139 1
1 182 . 4 1 1 A 21 21 SER CB C 21 63.988 62.844 1.144 1
1 184 . 4 1 1 A 21 21 SER C C 21 175.006 173.792 1.214 1
1 186 . 4 1 1 A 22 22 GLY N N 22 110.974 111.794 -0.820 1
1 187 . 4 1 1 A 22 22 GLY H H 22 8.523 8.449 0.074 1
1 188 . 4 1 1 A 22 22 GLY CA C 22 45.429 45.249 0.180 1
1 189 . 4 1 1 A 22 22 GLY HA3 H 22 4.074 4.171 -0.097 1
1 190 . 4 1 1 A 22 22 GLY C C 22 173.860 172.380 1.480 1
1 191 . 4 1 1 A 22 22 GLY HA2 H 22 4.074 4.171 -0.097 1
1 192 . 4 1 1 A 23 23 SER N N 23 115.179 122.324 -7.145 1
1 193 . 4 1 1 A 23 23 SER H H 23 8.190 9.010 -0.820 1
1 194 . 4 1 1 A 23 23 SER CA C 23 58.233 57.520 0.713 1
1 195 . 4 1 1 A 23 23 SER HA H 23 4.511 5.215 -0.704 1
1 196 . 4 1 1 A 23 23 SER CB C 23 64.511 66.566 -2.055 1
1 198 . 4 1 1 A 23 23 SER C C 23 173.263 173.195 0.068 1
1 200 . 4 1 1 A 24 24 VAL N N 24 122.289 125.529 -3.240 1
1 201 . 4 1 1 A 24 24 VAL H H 24 7.889 8.631 -0.742 1
1 202 . 4 1 1 A 24 24 VAL CA C 24 61.754 63.191 -1.437 1
1 203 . 4 1 1 A 24 24 VAL HA H 24 4.567 4.386 0.181 1
1 204 . 4 1 1 A 24 24 VAL CB C 24 33.612 30.765 2.847 1
1 214 . 4 1 1 A 24 24 VAL C C 24 174.799 175.376 -0.577 1
1 215 . 4 1 1 A 25 25 SER N N 25 118.995 124.835 -5.840 1
1 216 . 4 1 1 A 25 25 SER H H 25 8.244 9.255 -1.011 1
1 217 . 4 1 1 A 25 25 SER CA C 25 57.102 57.017 0.085 1
1 218 . 4 1 1 A 25 25 SER HA H 25 5.039 5.412 -0.373 1
1 219 . 4 1 1 A 25 25 SER CB C 25 66.338 66.303 0.035 1
1 221 . 4 1 1 A 25 25 SER C C 25 171.718 172.879 -1.161 1
1 223 . 4 1 1 A 26 26 ALA N N 26 121.537 125.504 -3.967 1
1 224 . 4 1 1 A 26 26 ALA H H 26 8.503 9.078 -0.575 1
1 225 . 4 1 1 A 26 26 ALA CA C 26 50.695 50.336 0.359 1
1 226 . 4 1 1 A 26 26 ALA HA H 26 5.637 5.446 0.191 1
1 227 . 4 1 1 A 26 26 ALA CB C 26 23.364 21.850 1.514 1
1 231 . 4 1 1 A 26 26 ALA C C 26 175.355 175.887 -0.532 1
1 232 . 4 1 1 A 27 27 TYR N N 27 116.588 117.983 -1.395 1
1 233 . 4 1 1 A 27 27 TYR H H 27 8.885 8.580 0.305 1
1 234 . 4 1 1 A 27 27 TYR CA C 27 57.013 55.576 1.437 1
1 235 . 4 1 1 A 27 27 TYR HA H 27 4.742 5.205 -0.463 1
1 236 . 4 1 1 A 27 27 TYR CB C 27 40.325 41.505 -1.180 1
1 246 . 4 1 1 A 27 27 TYR C C 27 172.990 173.927 -0.937 1
1 248 . 4 1 1 A 28 28 GLY N N 28 108.423 106.852 1.571 1
1 249 . 4 1 1 A 28 28 GLY H H 28 8.475 8.326 0.149 1
1 250 . 4 1 1 A 28 28 GLY CA C 28 44.439 45.132 -0.693 1
1 251 . 4 1 1 A 28 28 GLY HA3 H 28 4.141 4.190 -0.049 1
1 252 . 4 1 1 A 28 28 GLY C C 28 173.419 173.972 -0.553 1
1 253 . 4 1 1 A 28 28 GLY HA2 H 28 5.092 4.189 0.903 1
1 254 . 4 1 1 A 29 29 PRO CA C 29 65.537 63.816 1.721 1
1 255 . 4 1 1 A 29 29 PRO HA H 29 4.298 4.265 0.033 1
1 256 . 4 1 1 A 29 29 PRO CB C 29 31.509 31.737 -0.228 1
1 262 . 4 1 1 A 29 29 PRO C C 29 178.493 177.244 1.249 1
1 266 . 4 1 1 A 30 30 GLY N N 30 102.459 106.600 -4.141 1
1 267 . 4 1 1 A 30 30 GLY H H 30 8.655 8.314 0.341 1
1 268 . 4 1 1 A 30 30 GLY CA C 30 46.245 45.876 0.369 1
1 269 . 4 1 1 A 30 30 GLY HA3 H 30 3.417 4.196 -0.779 1
1 270 . 4 1 1 A 30 30 GLY C C 30 172.945 175.118 -2.173 1
1 271 . 4 1 1 A 30 30 GLY HA2 H 30 4.316 4.041 0.275 1
1 272 . 4 1 1 A 31 31 LEU N N 31 116.436 121.699 -5.263 1
1 273 . 4 1 1 A 31 31 LEU H H 31 7.049 7.499 -0.450 1
1 274 . 4 1 1 A 31 31 LEU CA C 31 55.368 57.027 -1.659 1
1 275 . 4 1 1 A 31 31 LEU HA H 31 3.784 4.066 -0.282 1
1 276 . 4 1 1 A 31 31 LEU CB C 31 42.148 41.916 0.232 1
1 288 . 4 1 1 A 31 31 LEU C C 31 175.321 178.801 -3.480 1
1 290 . 4 1 1 A 32 32 VAL N N 32 112.078 116.609 -4.531 1
1 291 . 4 1 1 A 32 32 VAL H H 32 7.739 6.952 0.787 1
1 292 . 4 1 1 A 32 32 VAL CA C 32 62.956 65.439 -2.483 1
1 293 . 4 1 1 A 32 32 VAL HA H 32 4.574 3.610 0.964 1
1 294 . 4 1 1 A 32 32 VAL CB C 32 35.415 31.273 4.142 1
1 304 . 4 1 1 A 32 32 VAL C C 32 176.810 175.786 1.024 1
1 305 . 4 1 1 A 33 33 TYR N N 33 121.116 115.687 5.429 1
1 306 . 4 1 1 A 33 33 TYR H H 33 8.638 7.328 1.310 1
1 307 . 4 1 1 A 33 33 TYR CA C 33 56.523 56.016 0.507 1
1 308 . 4 1 1 A 33 33 TYR HA H 33 5.639 4.937 0.702 1
1 309 . 4 1 1 A 33 33 TYR CB C 33 42.165 40.909 1.256 1
1 319 . 4 1 1 A 33 33 TYR C C 33 172.858 173.874 -1.016 1
1 321 . 4 1 1 A 34 34 GLY N N 34 107.313 106.842 0.471 1
1 322 . 4 1 1 A 34 34 GLY H H 34 7.637 8.209 -0.572 1
1 323 . 4 1 1 A 34 34 GLY CA C 34 44.721 45.609 -0.888 1
1 324 . 4 1 1 A 34 34 GLY HA3 H 34 3.793 4.424 -0.631 1
1 325 . 4 1 1 A 34 34 GLY C C 34 170.727 171.670 -0.943 1
1 326 . 4 1 1 A 34 34 GLY HA2 H 34 3.873 4.393 -0.520 1
1 327 . 4 1 1 A 35 35 VAL N N 35 120.853 119.925 0.928 1
1 328 . 4 1 1 A 35 35 VAL H H 35 8.731 8.402 0.329 1
1 329 . 4 1 1 A 35 35 VAL CA C 35 60.627 60.463 0.164 1
1 330 . 4 1 1 A 35 35 VAL HA H 35 4.589 4.826 -0.237 1
1 331 . 4 1 1 A 35 35 VAL CB C 35 35.374 35.139 0.235 1
1 341 . 4 1 1 A 35 35 VAL C C 35 174.813 175.016 -0.203 1
1 342 . 4 1 1 A 36 36 ALA N N 36 127.708 130.669 -2.961 1
1 343 . 4 1 1 A 36 36 ALA H H 36 8.482 8.234 0.248 1
1 344 . 4 1 1 A 36 36 ALA CA C 36 53.332 52.897 0.435 1
1 345 . 4 1 1 A 36 36 ALA HA H 36 3.535 4.098 -0.563 1
1 346 . 4 1 1 A 36 36 ALA CB C 36 17.653 18.746 -1.093 1
1 350 . 4 1 1 A 36 36 ALA C C 36 176.968 178.124 -1.156 1
1 351 . 4 1 1 A 37 37 ASN N N 37 111.234 116.456 -5.222 1
1 352 . 4 1 1 A 37 37 ASN H H 37 9.147 8.904 0.243 1
1 353 . 4 1 1 A 37 37 ASN CA C 37 55.728 54.297 1.431 1
1 354 . 4 1 1 A 37 37 ASN HA H 37 3.962 4.226 -0.264 1
1 355 . 4 1 1 A 37 37 ASN CB C 37 37.147 37.031 0.116 1
1 360 . 4 1 1 A 37 37 ASN C C 37 173.119 173.884 -0.765 1
1 362 . 4 1 1 A 38 38 LYS N N 38 119.100 117.156 1.944 1
1 363 . 4 1 1 A 38 38 LYS H H 38 7.972 7.205 0.767 1
1 364 . 4 1 1 A 38 38 LYS CA C 38 54.306 54.803 -0.497 1
1 365 . 4 1 1 A 38 38 LYS HA H 38 4.606 4.699 -0.093 1
1 366 . 4 1 1 A 38 38 LYS CB C 38 34.799 35.667 -0.868 1
1 374 . 4 1 1 A 38 38 LYS C C 38 175.533 176.048 -0.515 1
1 379 . 4 1 1 A 39 39 THR N N 39 114.730 117.829 -3.099 1
1 380 . 4 1 1 A 39 39 THR H H 39 8.158 8.551 -0.393 1
1 381 . 4 1 1 A 39 39 THR CA C 39 63.302 62.525 0.777 1
1 382 . 4 1 1 A 39 39 THR HA H 39 4.138 4.092 0.046 1
1 383 . 4 1 1 A 39 39 THR CB C 39 69.652 69.298 0.354 1
1 389 . 4 1 1 A 39 39 THR C C 39 174.281 174.060 0.221 1
1 390 . 4 1 1 A 40 40 ALA N N 40 129.891 123.820 6.071 1
1 391 . 4 1 1 A 40 40 ALA H H 40 8.750 8.079 0.671 1
1 392 . 4 1 1 A 40 40 ALA CA C 40 50.399 51.899 -1.500 1
1 393 . 4 1 1 A 40 40 ALA HA H 40 4.702 4.821 -0.119 1
1 394 . 4 1 1 A 40 40 ALA CB C 40 20.495 20.528 -0.033 1
1 398 . 4 1 1 A 40 40 ALA C C 40 176.039 175.044 0.995 1
1 399 . 4 1 1 A 41 41 THR N N 41 112.902 117.101 -4.199 1
1 400 . 4 1 1 A 41 41 THR H H 41 8.536 8.941 -0.405 1
1 401 . 4 1 1 A 41 41 THR CA C 41 59.688 59.675 0.013 1
1 402 . 4 1 1 A 41 41 THR HA H 41 5.779 5.024 0.755 1
1 403 . 4 1 1 A 41 41 THR CB C 41 72.348 72.067 0.281 1
1 409 . 4 1 1 A 41 41 THR C C 41 173.286 172.606 0.680 1
1 410 . 4 1 1 A 42 42 PHE N N 42 119.525 119.225 0.300 1
1 411 . 4 1 1 A 42 42 PHE H H 42 8.825 8.052 0.773 1
1 412 . 4 1 1 A 42 42 PHE CA C 42 57.031 55.526 1.505 1
1 413 . 4 1 1 A 42 42 PHE HA H 42 5.013 5.429 -0.416 1
1 414 . 4 1 1 A 42 42 PHE CB C 42 40.155 42.331 -2.176 1
1 426 . 4 1 1 A 42 42 PHE C C 42 171.282 172.356 -1.074 1
1 428 . 4 1 1 A 43 43 THR N N 43 117.427 114.189 3.238 1
1 429 . 4 1 1 A 43 43 THR H H 43 9.210 8.368 0.842 1
1 430 . 4 1 1 A 43 43 THR CA C 43 62.250 60.850 1.400 1
1 431 . 4 1 1 A 43 43 THR HA H 43 4.987 5.169 -0.182 1
1 432 . 4 1 1 A 43 43 THR CB C 43 71.510 71.563 -0.053 1
1 438 . 4 1 1 A 43 43 THR C C 43 173.061 173.460 -0.399 1
1 439 . 4 1 1 A 44 44 ILE N N 44 123.638 124.285 -0.647 1
1 440 . 4 1 1 A 44 44 ILE H H 44 8.859 8.516 0.343 1
1 441 . 4 1 1 A 44 44 ILE CA C 44 59.843 59.975 -0.132 1
1 442 . 4 1 1 A 44 44 ILE HA H 44 4.824 4.742 0.082 1
1 443 . 4 1 1 A 44 44 ILE CB C 44 40.866 42.393 -1.527 1
1 455 . 4 1 1 A 44 44 ILE C C 44 174.707 174.904 -0.197 1
1 457 . 4 1 1 A 45 45 VAL N N 45 128.904 127.604 1.300 1
1 458 . 4 1 1 A 45 45 VAL H H 45 9.299 8.854 0.445 1
1 459 . 4 1 1 A 45 45 VAL CA C 45 62.119 61.857 0.262 1
1 460 . 4 1 1 A 45 45 VAL HA H 45 4.492 4.427 0.065 1
1 461 . 4 1 1 A 45 45 VAL CB C 45 32.683 31.108 1.575 1
1 471 . 4 1 1 A 45 45 VAL C C 45 175.606 175.319 0.287 1
1 472 . 4 1 1 A 46 46 THR N N 46 117.412 124.444 -7.032 1
1 473 . 4 1 1 A 46 46 THR H H 46 8.434 9.010 -0.576 1
1 474 . 4 1 1 A 46 46 THR CA C 46 60.650 61.389 -0.739 1
1 475 . 4 1 1 A 46 46 THR HA H 46 4.505 4.444 0.061 1
1 476 . 4 1 1 A 46 46 THR CB C 46 69.432 66.611 2.821 1
1 482 . 4 1 1 A 46 46 THR C C 46 174.882 173.623 1.259 1
1 483 . 4 1 1 A 47 47 GLU N N 47 122.657 123.456 -0.799 1
1 484 . 4 1 1 A 47 47 GLU H H 47 8.052 8.253 -0.201 1
1 485 . 4 1 1 A 47 47 GLU CA C 47 57.419 55.837 1.582 1
1 486 . 4 1 1 A 47 47 GLU HA H 47 4.231 4.622 -0.391 1
1 487 . 4 1 1 A 47 47 GLU CB C 47 30.281 30.809 -0.528 1
1 491 . 4 1 1 A 47 47 GLU C C 47 175.887 176.797 -0.910 1
1 494 . 4 1 1 A 48 48 ASP N N 48 120.269 123.719 -3.450 1
1 495 . 4 1 1 A 48 48 ASP H H 48 8.536 9.162 -0.626 1
1 496 . 4 1 1 A 48 48 ASP CA C 48 54.396 55.105 -0.709 1
1 497 . 4 1 1 A 48 48 ASP HA H 48 4.638 4.419 0.219 1
1 498 . 4 1 1 A 48 48 ASP CB C 48 40.979 40.380 0.599 1
1 500 . 4 1 1 A 48 48 ASP C C 48 175.709 176.346 -0.637 1
1 502 . 4 1 1 A 49 49 ALA N N 49 122.506 120.413 2.093 1
1 503 . 4 1 1 A 49 49 ALA H H 49 8.109 8.270 -0.161 1
1 504 . 4 1 1 A 49 49 ALA CA C 49 52.774 53.203 -0.429 1
1 505 . 4 1 1 A 49 49 ALA HA H 49 4.195 3.965 0.230 1
1 506 . 4 1 1 A 49 49 ALA CB C 49 19.343 19.086 0.257 1
1 510 . 4 1 1 A 49 49 ALA C C 49 178.316 178.138 0.178 1
1 511 . 4 1 1 A 50 50 GLY N N 50 107.563 103.685 3.878 1
1 512 . 4 1 1 A 50 50 GLY H H 50 8.269 7.745 0.524 1
1 513 . 4 1 1 A 50 50 GLY CA C 50 45.288 44.197 1.091 1
1 514 . 4 1 1 A 50 50 GLY HA3 H 50 3.993 4.093 -0.100 1
1 515 . 4 1 1 A 50 50 GLY C C 50 174.421 172.992 1.429 1
1 516 . 4 1 1 A 50 50 GLY HA2 H 50 3.993 4.082 -0.089 1
1 517 . 4 1 1 A 51 51 GLU N N 51 121.358 120.087 1.271 1
1 518 . 4 1 1 A 51 51 GLU H H 51 8.519 8.448 0.071 1
1 519 . 4 1 1 A 51 51 GLU CA C 51 56.890 55.753 1.137 1
1 520 . 4 1 1 A 51 51 GLU HA H 51 4.309 4.607 -0.298 1
1 521 . 4 1 1 A 51 51 GLU CB C 51 30.204 28.598 1.606 1
1 525 . 4 1 1 A 51 51 GLU C C 51 177.003 176.142 0.861 1
1 528 . 4 1 1 A 52 52 GLY N N 52 109.575 112.344 -2.769 1
1 529 . 4 1 1 A 52 52 GLY H H 52 8.349 8.222 0.127 1
1 530 . 4 1 1 A 52 52 GLY CA C 52 45.571 45.624 -0.053 1
1 531 . 4 1 1 A 52 52 GLY HA3 H 52 3.895 4.095 -0.200 1
1 532 . 4 1 1 A 52 52 GLY C C 52 173.666 173.744 -0.078 1
1 533 . 4 1 1 A 52 52 GLY HA2 H 52 3.810 4.059 -0.249 1
1 534 . 4 1 1 A 53 53 GLY N N 53 106.657 104.821 1.836 1
1 535 . 4 1 1 A 53 53 GLY H H 53 7.893 7.199 0.694 1
1 536 . 4 1 1 A 53 53 GLY CA C 53 45.199 45.618 -0.419 1
1 537 . 4 1 1 A 53 53 GLY HA3 H 53 3.613 3.935 -0.322 1
1 538 . 4 1 1 A 53 53 GLY C C 53 173.414 172.112 1.302 1
1 539 . 4 1 1 A 53 53 GLY HA2 H 53 4.036 3.885 0.151 1
1 540 . 4 1 1 A 54 54 LEU N N 54 124.121 125.078 -0.957 1
1 541 . 4 1 1 A 54 54 LEU H H 54 8.241 8.435 -0.194 1
1 542 . 4 1 1 A 54 54 LEU CA C 54 54.528 54.196 0.332 1
1 543 . 4 1 1 A 54 54 LEU HA H 54 5.056 4.567 0.489 1
1 544 . 4 1 1 A 54 54 LEU CB C 54 44.325 43.306 1.019 1
1 556 . 4 1 1 A 54 54 LEU C C 54 176.080 174.967 1.113 1
1 558 . 4 1 1 A 55 55 ASP N N 55 126.024 124.669 1.355 1
1 559 . 4 1 1 A 55 55 ASP H H 55 8.981 8.832 0.149 1
1 560 . 4 1 1 A 55 55 ASP CA C 55 54.095 52.881 1.214 1
1 561 . 4 1 1 A 55 55 ASP HA H 55 4.879 5.112 -0.233 1
1 562 . 4 1 1 A 55 55 ASP CB C 55 44.582 44.424 0.158 1
1 564 . 4 1 1 A 55 55 ASP C C 55 173.601 174.337 -0.736 1
1 566 . 4 1 1 A 56 56 LEU N N 56 125.098 126.373 -1.275 1
1 567 . 4 1 1 A 56 56 LEU H H 56 8.300 9.036 -0.736 1
1 568 . 4 1 1 A 56 56 LEU CA C 56 53.221 53.373 -0.152 1
1 569 . 4 1 1 A 56 56 LEU HA H 56 5.422 5.275 0.147 1
1 570 . 4 1 1 A 56 56 LEU CB C 56 46.028 45.046 0.982 1
1 582 . 4 1 1 A 56 56 LEU C C 56 175.700 175.535 0.165 1
1 584 . 4 1 1 A 57 57 ALA N N 57 125.664 124.170 1.494 1
1 585 . 4 1 1 A 57 57 ALA H H 57 8.840 8.371 0.469 1
1 586 . 4 1 1 A 57 57 ALA CA C 57 51.851 51.938 -0.087 1
1 587 . 4 1 1 A 57 57 ALA HA H 57 4.600 5.025 -0.425 1
1 588 . 4 1 1 A 57 57 ALA CB C 57 22.862 21.911 0.951 1
1 592 . 4 1 1 A 57 57 ALA C C 57 174.504 175.892 -1.388 1
1 593 . 4 1 1 A 58 58 ILE N N 58 119.429 123.456 -4.027 1
1 594 . 4 1 1 A 58 58 ILE H H 58 8.617 8.794 -0.177 1
1 595 . 4 1 1 A 58 58 ILE CA C 58 60.143 59.480 0.663 1
1 596 . 4 1 1 A 58 58 ILE HA H 58 5.272 5.054 0.218 1
1 597 . 4 1 1 A 58 58 ILE CB C 58 41.068 40.606 0.462 1
1 609 . 4 1 1 A 58 58 ILE C C 58 175.328 175.046 0.282 1
1 611 . 4 1 1 A 59 59 GLU N N 59 128.665 123.661 5.004 1
1 612 . 4 1 1 A 59 59 GLU H H 59 9.315 8.895 0.420 1
1 613 . 4 1 1 A 59 59 GLU CA C 59 54.166 54.826 -0.660 1
1 614 . 4 1 1 A 59 59 GLU HA H 59 4.920 5.164 -0.244 1
1 615 . 4 1 1 A 59 59 GLU CB C 59 32.698 33.204 -0.506 1
1 619 . 4 1 1 A 59 59 GLU C C 59 175.108 175.594 -0.486 1
1 622 . 4 1 1 A 60 60 GLY N N 60 110.929 108.657 2.272 1
1 623 . 4 1 1 A 60 60 GLY H H 60 8.427 8.339 0.088 1
1 624 . 4 1 1 A 60 60 GLY CA C 60 45.608 44.733 0.875 1
1 625 . 4 1 1 A 60 60 GLY HA3 H 60 3.927 4.136 -0.209 1
1 626 . 4 1 1 A 60 60 GLY C C 60 171.379 174.171 -2.792 1
1 627 . 4 1 1 A 60 60 GLY HA2 H 60 3.531 3.987 -0.456 1
1 628 . 4 1 1 A 61 61 PRO CA C 61 64.103 63.941 0.162 1
1 629 . 4 1 1 A 61 61 PRO HA H 61 4.270 4.420 -0.150 1
1 630 . 4 1 1 A 61 61 PRO CB C 61 32.206 31.923 0.283 1
1 636 . 4 1 1 A 61 61 PRO C C 61 176.075 175.970 0.105 1
1 640 . 4 1 1 A 62 62 SER N N 62 108.474 112.011 -3.537 1
1 641 . 4 1 1 A 62 62 SER H H 62 7.099 7.457 -0.358 1
1 642 . 4 1 1 A 62 62 SER CA C 62 56.398 56.866 -0.468 1
1 643 . 4 1 1 A 62 62 SER HA H 62 4.655 4.797 -0.142 1
1 644 . 4 1 1 A 62 62 SER CB C 62 67.457 65.713 1.744 1
1 646 . 4 1 1 A 62 62 SER C C 62 172.805 172.230 0.575 1
1 648 . 4 1 1 A 63 63 LYS N N 63 122.679 124.951 -2.272 1
1 649 . 4 1 1 A 63 63 LYS H H 63 8.653 8.409 0.244 1
1 650 . 4 1 1 A 63 63 LYS CA C 63 55.822 56.283 -0.461 1
1 651 . 4 1 1 A 63 63 LYS HA H 63 4.449 4.533 -0.084 1
1 652 . 4 1 1 A 63 63 LYS CB C 63 31.384 33.361 -1.977 1
1 660 . 4 1 1 A 63 63 LYS C C 63 175.601 175.390 0.211 1
1 665 . 4 1 1 A 64 64 ALA N N 64 130.710 129.060 1.650 1
1 666 . 4 1 1 A 64 64 ALA H H 64 8.690 8.863 -0.173 1
1 667 . 4 1 1 A 64 64 ALA CA C 64 51.425 50.356 1.069 1
1 668 . 4 1 1 A 64 64 ALA HA H 64 4.578 5.207 -0.629 1
1 669 . 4 1 1 A 64 64 ALA CB C 64 19.803 21.945 -2.142 1
1 673 . 4 1 1 A 64 64 ALA C C 64 176.395 176.427 -0.032 1
1 674 . 4 1 1 A 65 65 GLU N N 65 123.534 121.957 1.577 1
1 675 . 4 1 1 A 65 65 GLU H H 65 8.397 8.614 -0.217 1
1 676 . 4 1 1 A 65 65 GLU CA C 65 56.854 56.292 0.562 1
1 677 . 4 1 1 A 65 65 GLU HA H 65 4.278 4.334 -0.056 1
1 678 . 4 1 1 A 65 65 GLU CB C 65 30.346 30.290 0.056 1
1 682 . 4 1 1 A 65 65 GLU C C 65 176.381 176.327 0.054 1
1 685 . 4 1 1 A 66 66 ILE N N 66 124.380 121.466 2.914 1
1 686 . 4 1 1 A 66 66 ILE H H 66 8.541 8.474 0.067 1
1 687 . 4 1 1 A 66 66 ILE CA C 66 60.568 59.877 0.691 1
1 688 . 4 1 1 A 66 66 ILE HA H 66 4.865 4.978 -0.113 1
1 689 . 4 1 1 A 66 66 ILE CB C 66 41.804 42.238 -0.434 1
1 701 . 4 1 1 A 66 66 ILE C C 66 175.421 174.701 0.720 1
1 703 . 4 1 1 A 67 67 SER N N 67 122.057 123.376 -1.319 1
1 704 . 4 1 1 A 67 67 SER H H 67 9.035 8.634 0.401 1
1 705 . 4 1 1 A 67 67 SER CA C 67 56.908 57.627 -0.719 1
1 706 . 4 1 1 A 67 67 SER HA H 67 4.729 5.088 -0.359 1
1 707 . 4 1 1 A 67 67 SER CB C 67 64.980 65.787 -0.807 1
1 709 . 4 1 1 A 67 67 SER C C 67 172.294 173.448 -1.154 1
1 711 . 4 1 1 A 68 68 CYS N N 68 124.699 124.924 -0.225 1
1 712 . 4 1 1 A 68 68 CYS H H 68 8.732 9.053 -0.321 1
1 713 . 4 1 1 A 68 68 CYS CA C 68 57.310 57.268 0.042 1
1 714 . 4 1 1 A 68 68 CYS HA H 68 5.038 5.295 -0.257 1
1 715 . 4 1 1 A 68 68 CYS CB C 68 28.380 30.198 -1.818 1
1 717 . 4 1 1 A 68 68 CYS C C 68 173.135 173.691 -0.556 1
1 719 . 4 1 1 A 69 69 ILE N N 69 128.680 123.400 5.280 1
1 720 . 4 1 1 A 69 69 ILE H H 69 8.757 8.545 0.212 1
1 721 . 4 1 1 A 69 69 ILE CA C 69 59.153 60.428 -1.275 1
1 722 . 4 1 1 A 69 69 ILE HA H 69 4.350 4.569 -0.219 1
1 723 . 4 1 1 A 69 69 ILE CB C 69 40.750 41.354 -0.604 1
1 735 . 4 1 1 A 69 69 ILE C C 69 174.363 174.343 0.020 1
1 737 . 4 1 1 A 70 70 ASP N N 70 126.290 129.923 -3.633 1
1 738 . 4 1 1 A 70 70 ASP H H 70 8.596 8.915 -0.319 1
1 739 . 4 1 1 A 70 70 ASP CA C 70 53.671 54.005 -0.334 1
1 740 . 4 1 1 A 70 70 ASP HA H 70 4.892 4.746 0.146 1
1 741 . 4 1 1 A 70 70 ASP CB C 70 41.069 41.833 -0.764 1
1 743 . 4 1 1 A 70 70 ASP C C 70 176.812 175.866 0.946 1
1 745 . 4 1 1 A 71 71 ASN N N 71 125.163 122.206 2.957 1
1 746 . 4 1 1 A 71 71 ASN H H 71 8.745 8.378 0.367 1
1 747 . 4 1 1 A 71 71 ASN CA C 71 54.626 51.647 2.979 1
1 748 . 4 1 1 A 71 71 ASN HA H 71 4.647 5.101 -0.454 1
1 749 . 4 1 1 A 71 71 ASN CB C 71 38.688 41.508 -2.820 1
1 754 . 4 1 1 A 71 71 ASN C C 71 175.657 176.023 -0.366 1
1 756 . 4 1 1 A 72 72 LYS N N 72 114.425 122.640 -8.215 1
1 757 . 4 1 1 A 72 72 LYS H H 72 9.407 8.578 0.829 1
1 758 . 4 1 1 A 72 72 LYS CA C 72 57.535 58.311 -0.776 1
1 759 . 4 1 1 A 72 72 LYS HA H 72 4.028 4.041 -0.013 1
1 760 . 4 1 1 A 72 72 LYS CB C 72 28.393 32.471 -4.078 1
1 768 . 4 1 1 A 72 72 LYS C C 72 175.123 177.774 -2.651 1
1 773 . 4 1 1 A 73 73 ASP N N 73 117.581 118.148 -0.567 1
1 774 . 4 1 1 A 73 73 ASP H H 73 7.881 7.804 0.077 1
1 775 . 4 1 1 A 73 73 ASP CA C 73 52.274 53.115 -0.841 1
1 776 . 4 1 1 A 73 73 ASP HA H 73 4.769 4.770 -0.001 1
1 777 . 4 1 1 A 73 73 ASP CB C 73 41.210 40.332 0.878 1
1 779 . 4 1 1 A 73 73 ASP C C 73 177.197 176.093 1.104 1
1 781 . 4 1 1 A 74 74 GLY N N 74 109.385 107.994 1.391 1
1 782 . 4 1 1 A 74 74 GLY H H 74 8.781 8.035 0.746 1
1 783 . 4 1 1 A 74 74 GLY CA C 74 45.179 46.693 -1.514 1
1 784 . 4 1 1 A 74 74 GLY HA3 H 74 3.673 3.918 -0.245 1
1 785 . 4 1 1 A 74 74 GLY C C 74 173.671 174.128 -0.457 1
1 786 . 4 1 1 A 74 74 GLY HA2 H 74 4.469 3.916 0.553 1
1 787 . 4 1 1 A 75 75 THR N N 75 110.220 112.012 -1.792 1
1 788 . 4 1 1 A 75 75 THR H H 75 8.179 7.779 0.400 1
1 789 . 4 1 1 A 75 75 THR CA C 75 59.843 60.521 -0.678 1
1 790 . 4 1 1 A 75 75 THR HA H 75 5.678 4.786 0.892 1
1 791 . 4 1 1 A 75 75 THR CB C 75 73.810 71.399 2.411 1
1 797 . 4 1 1 A 75 75 THR C C 75 173.912 173.035 0.877 1
1 798 . 4 1 1 A 76 76 CYS N N 76 117.252 121.650 -4.398 1
1 799 . 4 1 1 A 76 76 CYS H H 76 9.295 8.582 0.713 1
1 800 . 4 1 1 A 76 76 CYS CA C 76 56.716 56.748 -0.032 1
1 801 . 4 1 1 A 76 76 CYS HA H 76 5.517 5.179 0.338 1
1 802 . 4 1 1 A 76 76 CYS CB C 76 31.176 30.760 0.416 1
1 804 . 4 1 1 A 76 76 CYS C C 76 174.083 173.310 0.773 1
1 806 . 4 1 1 A 77 77 THR N N 77 121.477 122.489 -1.012 1
1 807 . 4 1 1 A 77 77 THR H H 77 9.137 9.251 -0.114 1
1 808 . 4 1 1 A 77 77 THR CA C 77 62.565 61.841 0.724 1
1 809 . 4 1 1 A 77 77 THR HA H 77 4.592 4.611 -0.019 1
1 810 . 4 1 1 A 77 77 THR CB C 77 70.447 68.943 1.504 1
1 816 . 4 1 1 A 77 77 THR C C 77 173.469 173.516 -0.047 1
1 817 . 4 1 1 A 78 78 VAL N N 78 131.586 127.636 3.950 1
1 818 . 4 1 1 A 78 78 VAL H H 78 9.099 8.649 0.450 1
1 819 . 4 1 1 A 78 78 VAL CA C 78 60.604 61.256 -0.652 1
1 820 . 4 1 1 A 78 78 VAL HA H 78 4.672 4.847 -0.175 1
1 821 . 4 1 1 A 78 78 VAL CB C 78 32.061 32.103 -0.042 1
1 831 . 4 1 1 A 78 78 VAL C C 78 174.618 175.063 -0.445 1
1 832 . 4 1 1 A 79 79 THR N N 79 120.071 122.904 -2.833 1
1 833 . 4 1 1 A 79 79 THR H H 79 8.782 8.772 0.010 1
1 834 . 4 1 1 A 79 79 THR CA C 79 59.685 61.894 -2.209 1
1 835 . 4 1 1 A 79 79 THR HA H 79 5.424 5.022 0.402 1
1 836 . 4 1 1 A 79 79 THR CB C 79 71.374 70.706 0.668 1
1 842 . 4 1 1 A 79 79 THR C C 79 173.250 173.570 -0.320 1
1 843 . 4 1 1 A 80 80 TYR N N 80 120.212 121.301 -1.089 1
1 844 . 4 1 1 A 80 80 TYR H H 80 9.132 8.343 0.789 1
1 845 . 4 1 1 A 80 80 TYR CA C 80 55.554 55.859 -0.305 1
1 846 . 4 1 1 A 80 80 TYR HA H 80 5.686 5.570 0.116 1
1 847 . 4 1 1 A 80 80 TYR CB C 80 42.143 42.203 -0.060 1
1 857 . 4 1 1 A 80 80 TYR C C 80 172.856 172.528 0.328 1
1 859 . 4 1 1 A 81 81 LEU N N 81 121.355 123.230 -1.875 1
1 860 . 4 1 1 A 81 81 LEU H H 81 7.729 8.954 -1.225 1
1 861 . 4 1 1 A 81 81 LEU CA C 81 50.912 51.197 -0.285 1
1 862 . 4 1 1 A 81 81 LEU HA H 81 4.991 4.653 0.338 1
1 863 . 4 1 1 A 81 81 LEU CB C 81 43.636 45.198 -1.562 1
1 875 . 4 1 1 A 81 81 LEU C C 81 172.982 175.162 -2.180 1
1 877 . 4 1 1 A 82 82 PRO CA C 82 61.629 62.596 -0.967 1
1 878 . 4 1 1 A 82 82 PRO HA H 82 4.587 4.887 -0.300 1
1 879 . 4 1 1 A 82 82 PRO CB C 82 32.091 33.452 -1.361 1
1 885 . 4 1 1 A 82 82 PRO C C 82 177.683 176.860 0.823 1
1 889 . 4 1 1 A 83 83 THR N N 83 112.637 113.504 -0.867 1
1 890 . 4 1 1 A 83 83 THR H H 83 8.438 8.969 -0.531 1
1 891 . 4 1 1 A 83 83 THR CA C 83 62.207 62.794 -0.587 1
1 892 . 4 1 1 A 83 83 THR HA H 83 4.305 4.533 -0.228 1
1 893 . 4 1 1 A 83 83 THR CB C 83 69.155 70.406 -1.251 1
1 899 . 4 1 1 A 83 83 THR C C 83 173.582 174.323 -0.741 1
1 900 . 4 1 1 A 84 84 LEU N N 84 118.186 119.863 -1.677 1
1 901 . 4 1 1 A 84 84 LEU H H 84 6.839 7.525 -0.686 1
1 902 . 4 1 1 A 84 84 LEU CA C 84 51.513 51.476 0.037 1
1 903 . 4 1 1 A 84 84 LEU HA H 84 4.976 4.907 0.069 1
1 904 . 4 1 1 A 84 84 LEU CB C 84 45.838 45.599 0.239 1
1 916 . 4 1 1 A 84 84 LEU C C 84 175.119 174.417 0.702 1
1 918 . 4 1 1 A 85 85 PRO CA C 85 62.660 63.215 -0.555 1
1 919 . 4 1 1 A 85 85 PRO HA H 85 4.347 4.772 -0.425 1
1 920 . 4 1 1 A 85 85 PRO CB C 85 32.801 32.044 0.757 1
1 926 . 4 1 1 A 85 85 PRO C C 85 174.117 176.094 -1.977 1
1 930 . 4 1 1 A 86 86 GLY N N 86 106.704 107.741 -1.037 1
1 931 . 4 1 1 A 86 86 GLY H H 86 9.065 8.220 0.845 1
1 932 . 4 1 1 A 86 86 GLY CA C 86 44.520 45.156 -0.636 1
1 933 . 4 1 1 A 86 86 GLY HA3 H 86 3.838 4.163 -0.325 1
1 934 . 4 1 1 A 86 86 GLY C C 86 171.468 172.744 -1.276 1
1 935 . 4 1 1 A 86 86 GLY HA2 H 86 4.408 4.077 0.331 1
1 936 . 4 1 1 A 87 87 ASP N N 87 120.573 119.582 0.991 1
1 937 . 4 1 1 A 87 87 ASP H H 87 8.275 8.441 -0.166 1
1 938 . 4 1 1 A 87 87 ASP CA C 87 53.500 53.944 -0.444 1
1 939 . 4 1 1 A 87 87 ASP HA H 87 5.498 4.775 0.723 1
1 940 . 4 1 1 A 87 87 ASP CB C 87 40.877 40.352 0.525 1
1 942 . 4 1 1 A 87 87 ASP C C 87 176.069 175.740 0.329 1
1 944 . 4 1 1 A 88 88 TYR N N 88 124.115 124.738 -0.623 1
1 945 . 4 1 1 A 88 88 TYR H H 88 9.510 8.868 0.642 1
1 946 . 4 1 1 A 88 88 TYR CA C 88 56.667 57.731 -1.064 1
1 947 . 4 1 1 A 88 88 TYR HA H 88 4.983 4.861 0.122 1
1 948 . 4 1 1 A 88 88 TYR CB C 88 39.633 40.122 -0.489 1
1 958 . 4 1 1 A 88 88 TYR C C 88 174.533 175.458 -0.925 1
1 960 . 4 1 1 A 89 89 SER N N 89 118.331 120.338 -2.007 1
1 961 . 4 1 1 A 89 89 SER H H 89 9.200 8.815 0.385 1
1 962 . 4 1 1 A 89 89 SER CA C 89 56.737 58.087 -1.350 1
1 963 . 4 1 1 A 89 89 SER HA H 89 5.346 4.968 0.378 1
1 964 . 4 1 1 A 89 89 SER CB C 89 64.421 63.307 1.114 1
1 966 . 4 1 1 A 89 89 SER C C 89 173.462 173.391 0.071 1
1 968 . 4 1 1 A 90 90 ILE N N 90 127.805 127.187 0.618 1
1 969 . 4 1 1 A 90 90 ILE H H 90 9.536 8.638 0.898 1
1 970 . 4 1 1 A 90 90 ILE CA C 90 61.209 61.459 -0.250 1
1 971 . 4 1 1 A 90 90 ILE HA H 90 4.505 4.421 0.084 1
1 972 . 4 1 1 A 90 90 ILE CB C 90 39.225 37.906 1.319 1
1 984 . 4 1 1 A 90 90 ILE C C 90 174.259 175.219 -0.960 1
1 986 . 4 1 1 A 91 91 LEU N N 91 129.968 127.229 2.739 1
1 987 . 4 1 1 A 91 91 LEU H H 91 9.354 8.831 0.523 1
1 988 . 4 1 1 A 91 91 LEU CA C 91 55.510 53.686 1.824 1
1 989 . 4 1 1 A 91 91 LEU HA H 91 4.774 5.129 -0.355 1
1 990 . 4 1 1 A 91 91 LEU CB C 91 42.674 44.124 -1.450 1
1 1002 . 4 1 1 A 91 91 LEU C C 91 175.517 175.364 0.153 1
1 1004 . 4 1 1 A 92 92 VAL N N 92 124.859 126.392 -1.533 1
1 1005 . 4 1 1 A 92 92 VAL H H 92 9.431 9.127 0.304 1
1 1006 . 4 1 1 A 92 92 VAL CA C 92 61.488 60.932 0.556 1
1 1007 . 4 1 1 A 92 92 VAL HA H 92 4.626 5.066 -0.440 1
1 1008 . 4 1 1 A 92 92 VAL CB C 92 33.437 34.169 -0.732 1
1 1018 . 4 1 1 A 92 92 VAL C C 92 173.589 174.942 -1.353 1
1 1019 . 4 1 1 A 93 93 LYS N N 93 123.909 126.562 -2.653 1
1 1020 . 4 1 1 A 93 93 LYS H H 93 8.660 8.847 -0.187 1
1 1021 . 4 1 1 A 93 93 LYS CA C 93 53.953 54.195 -0.242 1
1 1022 . 4 1 1 A 93 93 LYS HA H 93 5.017 5.260 -0.243 1
1 1023 . 4 1 1 A 93 93 LYS CB C 93 36.475 35.624 0.851 1
1 1031 . 4 1 1 A 93 93 LYS C C 93 174.746 174.619 0.127 1
1 1036 . 4 1 1 A 94 94 TYR N N 94 120.499 123.311 -2.812 1
1 1037 . 4 1 1 A 94 94 TYR H H 94 8.821 9.368 -0.547 1
1 1038 . 4 1 1 A 94 94 TYR CA C 94 56.438 57.584 -1.146 1
1 1039 . 4 1 1 A 94 94 TYR HA H 94 5.161 4.886 0.275 1
1 1040 . 4 1 1 A 94 94 TYR CB C 94 41.931 41.538 0.393 1
1 1050 . 4 1 1 A 94 94 TYR C C 94 176.635 174.967 1.668 1
1 1052 . 4 1 1 A 95 95 ASN N N 95 128.155 126.026 2.129 1
1 1053 . 4 1 1 A 95 95 ASN H H 95 8.872 9.424 -0.552 1
1 1054 . 4 1 1 A 95 95 ASN CA C 95 54.360 54.168 0.192 1
1 1055 . 4 1 1 A 95 95 ASN HA H 95 4.215 4.355 -0.140 1
1 1056 . 4 1 1 A 95 95 ASN CB C 95 36.735 37.270 -0.535 1
1 1061 . 4 1 1 A 95 95 ASN C C 95 174.592 173.986 0.606 1
1 1063 . 4 1 1 A 96 96 ASP N N 96 110.440 110.514 -0.074 1
1 1064 . 4 1 1 A 96 96 ASP H H 96 9.304 8.486 0.818 1
1 1065 . 4 1 1 A 96 96 ASP CA C 96 55.920 55.536 0.384 1
1 1066 . 4 1 1 A 96 96 ASP HA H 96 4.030 4.184 -0.154 1
1 1067 . 4 1 1 A 96 96 ASP CB C 96 40.704 39.274 1.430 1
1 1069 . 4 1 1 A 96 96 ASP C C 96 174.657 174.600 0.057 1
1 1071 . 4 1 1 A 97 97 LYS N N 97 118.806 117.098 1.708 1
1 1072 . 4 1 1 A 97 97 LYS H H 97 7.482 7.471 0.011 1
1 1073 . 4 1 1 A 97 97 LYS CA C 97 54.378 54.916 -0.538 1
1 1074 . 4 1 1 A 97 97 LYS HA H 97 4.715 4.884 -0.169 1
1 1075 . 4 1 1 A 97 97 LYS CB C 97 35.127 37.100 -1.973 1
1 1083 . 4 1 1 A 97 97 LYS C C 97 176.499 174.584 1.915 1
1 1088 . 4 1 1 A 98 98 HIS N N 98 124.063 118.665 5.398 1
1 1089 . 4 1 1 A 98 98 HIS H H 98 8.795 8.985 -0.190 1
1 1090 . 4 1 1 A 98 98 HIS CA C 98 58.870 54.824 4.046 1
1 1091 . 4 1 1 A 98 98 HIS HA H 98 4.496 5.131 -0.635 1
1 1092 . 4 1 1 A 98 98 HIS CB C 98 32.178 31.773 0.405 1
1 1098 . 4 1 1 A 98 98 HIS C C 98 177.720 175.464 2.256 1
1 1100 . 4 1 1 A 99 99 ILE N N 99 120.049 120.894 -0.845 1
1 1101 . 4 1 1 A 99 99 ILE H H 99 8.380 7.892 0.488 1
1 1102 . 4 1 1 A 99 99 ILE CA C 99 60.674 59.750 0.924 1
1 1103 . 4 1 1 A 99 99 ILE HA H 99 4.696 4.390 0.306 1
1 1104 . 4 1 1 A 99 99 ILE CB C 99 35.539 37.876 -2.337 1
1 1116 . 4 1 1 A 99 99 ILE C C 99 173.419 174.906 -1.487 1
1 1118 . 4 1 1 A 100 100 PRO CA C 100 65.343 63.738 1.605 1
1 1119 . 4 1 1 A 100 100 PRO HA H 100 4.255 4.277 -0.022 1
1 1120 . 4 1 1 A 100 100 PRO CB C 100 31.128 31.266 -0.138 1
1 1126 . 4 1 1 A 100 100 PRO C C 100 176.734 177.547 -0.813 1
1 1130 . 4 1 1 A 101 101 GLY N N 101 113.906 113.216 0.690 1
1 1131 . 4 1 1 A 101 101 GLY H H 101 8.167 8.799 -0.632 1
1 1132 . 4 1 1 A 101 101 GLY CA C 101 44.668 45.016 -0.348 1
1 1133 . 4 1 1 A 101 101 GLY HA3 H 101 3.120 3.950 -0.830 1
1 1134 . 4 1 1 A 101 101 GLY C C 101 171.985 174.024 -2.039 1
1 1135 . 4 1 1 A 101 101 GLY HA2 H 101 4.140 3.899 0.241 1
1 1136 . 4 1 1 A 102 102 SER N N 102 112.418 117.176 -4.758 1
1 1137 . 4 1 1 A 102 102 SER H H 102 7.641 7.284 0.357 1
1 1138 . 4 1 1 A 102 102 SER CA C 102 54.770 55.652 -0.882 1
1 1139 . 4 1 1 A 102 102 SER HA H 102 4.107 4.085 0.022 1
1 1140 . 4 1 1 A 102 102 SER CB C 102 62.454 63.893 -1.439 1
1 1142 . 4 1 1 A 102 102 SER C C 102 174.682 171.962 2.720 1
1 1144 . 4 1 1 A 103 103 PRO CA C 103 62.301 62.235 0.066 1
1 1145 . 4 1 1 A 103 103 PRO HA H 103 5.363 4.459 0.904 1
1 1146 . 4 1 1 A 103 103 PRO CB C 103 33.964 32.111 1.853 1
1 1152 . 4 1 1 A 103 103 PRO C C 103 176.438 175.688 0.750 1
1 1156 . 4 1 1 A 104 104 PHE N N 104 126.067 120.129 5.938 1
1 1157 . 4 1 1 A 104 104 PHE H H 104 9.449 8.029 1.420 1
1 1158 . 4 1 1 A 104 104 PHE CA C 104 57.102 57.460 -0.358 1
1 1159 . 4 1 1 A 104 104 PHE HA H 104 4.621 4.894 -0.273 1
1 1160 . 4 1 1 A 104 104 PHE CB C 104 40.656 40.902 -0.246 1
1 1170 . 4 1 1 A 104 104 PHE C C 104 176.313 175.755 0.558 1
1 1172 . 4 1 1 A 105 105 THR N N 105 118.402 116.548 1.854 1
1 1173 . 4 1 1 A 105 105 THR H H 105 8.842 9.041 -0.199 1
1 1174 . 4 1 1 A 105 105 THR CA C 105 62.018 61.848 0.170 1
1 1175 . 4 1 1 A 105 105 THR HA H 105 5.153 4.888 0.265 1
1 1176 . 4 1 1 A 105 105 THR CB C 105 70.095 69.169 0.926 1
1 1182 . 4 1 1 A 105 105 THR C C 105 172.525 173.652 -1.127 1
1 1183 . 4 1 1 A 106 106 ALA N N 106 131.132 129.875 1.257 1
1 1184 . 4 1 1 A 106 106 ALA H H 106 9.192 8.395 0.797 1
1 1185 . 4 1 1 A 106 106 ALA CA C 106 50.187 51.661 -1.474 1
1 1186 . 4 1 1 A 106 106 ALA HA H 106 4.435 5.052 -0.617 1
1 1187 . 4 1 1 A 106 106 ALA CB C 106 21.021 19.700 1.321 1
1 1191 . 4 1 1 A 106 106 ALA C C 106 176.136 176.673 -0.537 1
1 1192 . 4 1 1 A 107 107 LYS N N 107 122.751 124.557 -1.806 1
1 1193 . 4 1 1 A 107 107 LYS H H 107 7.746 8.860 -1.114 1
1 1194 . 4 1 1 A 107 107 LYS CA C 107 55.652 55.541 0.111 1
1 1195 . 4 1 1 A 107 107 LYS HA H 107 4.797 4.775 0.022 1
1 1196 . 4 1 1 A 107 107 LYS CB C 107 32.606 33.401 -0.795 1
1 1204 . 4 1 1 A 107 107 LYS C C 107 174.648 174.978 -0.330 1
1 1209 . 4 1 1 A 108 108 ILE N N 108 127.629 128.228 -0.599 1
1 1210 . 4 1 1 A 108 108 ILE H H 108 9.024 9.012 0.012 1
1 1211 . 4 1 1 A 108 108 ILE CA C 108 56.801 60.230 -3.429 1
1 1212 . 4 1 1 A 108 108 ILE HA H 108 4.688 5.405 -0.717 1
1 1213 . 4 1 1 A 108 108 ILE CB C 108 35.101 39.883 -4.782 1
1 1225 . 4 1 1 A 108 108 ILE C C 108 178.159 175.428 2.731 1
1 1227 . 4 1 1 A 109 109 THR N N 109 121.563 121.516 0.047 1
1 1228 . 4 1 1 A 109 109 THR H H 109 8.861 8.644 0.217 1
1 1229 . 4 1 1 A 109 109 THR CA C 109 60.745 59.373 1.372 1
1 1230 . 4 1 1 A 109 109 THR HA H 109 4.778 4.942 -0.164 1
1 1231 . 4 1 1 A 109 109 THR CB C 109 71.067 71.113 -0.046 1
1 1237 . 4 1 1 A 109 109 THR C C 109 173.421 172.672 0.749 1
1 1238 . 4 1 1 A 110 110 ASP N N 110 119.526 121.499 -1.973 1
1 1239 . 4 1 1 A 110 110 ASP H H 110 8.631 8.855 -0.224 1
1 1240 . 4 1 1 A 110 110 ASP CA C 110 53.971 52.217 1.754 1
1 1241 . 4 1 1 A 110 110 ASP HA H 110 4.729 5.446 -0.717 1
1 1242 . 4 1 1 A 110 110 ASP CB C 110 42.087 42.907 -0.820 1
1 1244 . 4 1 1 A 110 110 ASP C C 110 176.124 173.971 2.153 1
1 1246 . 4 1 1 A 111 111 ASP N N 111 122.287 125.359 -3.072 1
1 1247 . 4 1 1 A 111 111 ASP H H 111 8.638 8.883 -0.245 1
1 1248 . 4 1 1 A 111 111 ASP CA C 111 54.042 52.330 1.712 1
1 1249 . 4 1 1 A 111 111 ASP HA H 111 4.644 4.960 -0.316 1
1 1250 . 4 1 1 A 111 111 ASP CB C 111 41.218 41.474 -0.256 1
1 1252 . 4 1 1 A 111 111 ASP C C 111 176.668 175.989 0.679 1
1 1254 . 4 1 1 A 112 112 SER N N 112 117.157 119.918 -2.761 1
1 1255 . 4 1 1 A 112 112 SER H H 112 8.416 8.723 -0.307 1
1 1256 . 4 1 1 A 112 112 SER CA C 112 59.277 58.966 0.311 1
1 1257 . 4 1 1 A 112 112 SER HA H 112 4.348 4.672 -0.324 1
1 1258 . 4 1 1 A 112 112 SER CB C 112 63.943 64.137 -0.194 1
1 1260 . 4 1 1 A 112 112 SER C C 112 174.721 175.163 -0.442 1
1 1262 . 4 1 1 A 113 113 ARG N N 113 122.178 119.105 3.073 1
1 1263 . 4 1 1 A 113 113 ARG H H 113 8.238 7.777 0.461 1
1 1264 . 4 1 1 A 113 113 ARG CA C 113 56.195 56.705 -0.510 1
1 1265 . 4 1 1 A 113 113 ARG HA H 113 4.347 4.273 0.074 1
1 1266 . 4 1 1 A 113 113 ARG CB C 113 30.470 30.810 -0.340 1
1 1271 . 4 1 1 A 113 113 ARG C C 113 176.207 176.450 -0.243 1
1 1275 . 4 1 1 A 114 114 ARG N N 114 122.696 119.046 3.650 1
1 1276 . 4 1 1 A 114 114 ARG H H 114 8.338 7.990 0.348 1
1 1277 . 4 1 1 A 114 114 ARG CA C 114 56.164 56.964 -0.800 1
1 1278 . 4 1 1 A 114 114 ARG HA H 114 4.390 4.003 0.387 1
1 1279 . 4 1 1 A 114 114 ARG CB C 114 30.679 28.857 1.822 1
1 1285 . 4 1 1 A 114 114 ARG C C 114 175.468 176.396 -0.928 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 44.699 45.063 -0.364 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.124 4.381 -0.257 1
1 3 . 5 1 1 A 7 7 GLY HA2 H 7 4.124 4.380 -0.256 1
1 4 . 5 1 1 A 8 8 PRO CA C 8 63.321 62.661 0.660 1
1 5 . 5 1 1 A 8 8 PRO HA H 8 4.418 4.584 -0.166 1
1 6 . 5 1 1 A 8 8 PRO CB C 8 32.104 32.540 -0.436 1
1 12 . 5 1 1 A 8 8 PRO C C 8 177.159 176.580 0.579 1
1 16 . 5 1 1 A 9 9 GLU N N 9 120.837 122.694 -1.857 1
1 17 . 5 1 1 A 9 9 GLU H H 9 8.612 8.547 0.065 1
1 18 . 5 1 1 A 9 9 GLU CA C 9 56.642 57.200 -0.558 1
1 19 . 5 1 1 A 9 9 GLU HA H 9 4.282 4.109 0.173 1
1 20 . 5 1 1 A 9 9 GLU CB C 9 30.181 29.454 0.727 1
1 24 . 5 1 1 A 9 9 GLU C C 9 176.387 176.786 -0.399 1
1 27 . 5 1 1 A 10 10 SER N N 10 117.776 121.429 -3.653 1
1 28 . 5 1 1 A 10 10 SER H H 10 8.264 8.639 -0.375 1
1 29 . 5 1 1 A 10 10 SER CA C 10 56.382 56.793 -0.411 1
1 30 . 5 1 1 A 10 10 SER HA H 10 4.763 4.911 -0.148 1
1 31 . 5 1 1 A 10 10 SER CB C 10 63.575 62.959 0.616 1
1 33 . 5 1 1 A 10 10 SER C C 10 172.958 173.556 -0.598 1
1 35 . 5 1 1 A 11 11 PRO CA C 11 63.404 62.146 1.258 1
1 36 . 5 1 1 A 11 11 PRO HA H 11 4.432 4.565 -0.133 1
1 37 . 5 1 1 A 11 11 PRO CB C 11 31.958 32.778 -0.820 1
1 43 . 5 1 1 A 11 11 PRO C C 11 176.922 175.672 1.250 1
1 47 . 5 1 1 A 12 12 LEU N N 12 121.245 121.412 -0.167 1
1 48 . 5 1 1 A 12 12 LEU H H 12 8.172 8.178 -0.006 1
1 49 . 5 1 1 A 12 12 LEU CA C 12 55.521 53.362 2.159 1
1 50 . 5 1 1 A 12 12 LEU HA H 12 4.236 4.665 -0.429 1
1 51 . 5 1 1 A 12 12 LEU CB C 12 42.138 42.698 -0.560 1
1 63 . 5 1 1 A 12 12 LEU C C 12 177.236 175.897 1.339 1
1 65 . 5 1 1 A 13 13 GLN N N 13 120.086 120.040 0.046 1
1 66 . 5 1 1 A 13 13 GLN H H 13 8.098 7.982 0.116 1
1 67 . 5 1 1 A 13 13 GLN CA C 13 55.785 56.209 -0.424 1
1 68 . 5 1 1 A 13 13 GLN HA H 13 4.220 4.080 0.140 1
1 69 . 5 1 1 A 13 13 GLN CB C 13 29.628 29.015 0.613 1
1 76 . 5 1 1 A 13 13 GLN C C 13 175.243 176.179 -0.936 1
1 79 . 5 1 1 A 14 14 PHE N N 14 120.461 125.505 -5.044 1
1 80 . 5 1 1 A 14 14 PHE H H 14 8.056 8.372 -0.316 1
1 81 . 5 1 1 A 14 14 PHE CA C 14 57.739 58.665 -0.926 1
1 82 . 5 1 1 A 14 14 PHE HA H 14 4.545 4.392 0.153 1
1 83 . 5 1 1 A 14 14 PHE CB C 14 39.825 39.192 0.633 1
1 95 . 5 1 1 A 14 14 PHE C C 14 175.022 175.341 -0.319 1
1 97 . 5 1 1 A 15 15 TYR N N 15 121.213 122.368 -1.155 1
1 98 . 5 1 1 A 15 15 TYR H H 15 8.004 8.336 -0.332 1
1 99 . 5 1 1 A 15 15 TYR CA C 15 57.756 57.882 -0.126 1
1 100 . 5 1 1 A 15 15 TYR HA H 15 4.506 4.550 -0.044 1
1 101 . 5 1 1 A 15 15 TYR CB C 15 39.012 39.474 -0.462 1
1 111 . 5 1 1 A 15 15 TYR C C 15 175.174 175.382 -0.208 1
1 113 . 5 1 1 A 16 16 VAL N N 16 121.693 122.028 -0.335 1
1 114 . 5 1 1 A 16 16 VAL H H 16 7.900 8.492 -0.592 1
1 115 . 5 1 1 A 16 16 VAL CA C 16 62.248 63.206 -0.958 1
1 116 . 5 1 1 A 16 16 VAL HA H 16 3.932 4.045 -0.113 1
1 117 . 5 1 1 A 16 16 VAL CB C 16 33.023 32.377 0.646 1
1 127 . 5 1 1 A 16 16 VAL C C 16 175.016 176.006 -0.990 1
1 128 . 5 1 1 A 17 17 ASN N N 17 121.488 124.533 -3.045 1
1 129 . 5 1 1 A 17 17 ASN H H 17 8.198 8.537 -0.339 1
1 130 . 5 1 1 A 17 17 ASN CA C 17 52.948 51.778 1.170 1
1 131 . 5 1 1 A 17 17 ASN HA H 17 4.630 5.512 -0.882 1
1 132 . 5 1 1 A 17 17 ASN CB C 17 39.289 41.771 -2.482 1
1 137 . 5 1 1 A 17 17 ASN C C 17 174.167 173.703 0.464 1
1 139 . 5 1 1 A 18 18 TYR N N 18 122.069 118.280 3.789 1
1 140 . 5 1 1 A 18 18 TYR H H 18 8.117 8.747 -0.630 1
1 141 . 5 1 1 A 18 18 TYR CA C 18 55.970 55.942 0.028 1
1 142 . 5 1 1 A 18 18 TYR HA H 18 4.771 4.979 -0.208 1
1 143 . 5 1 1 A 18 18 TYR CB C 18 38.260 42.224 -3.964 1
1 153 . 5 1 1 A 18 18 TYR C C 18 173.978 173.536 0.442 1
1 155 . 5 1 1 A 19 19 PRO CA C 19 63.378 62.557 0.821 1
1 156 . 5 1 1 A 19 19 PRO HA H 19 4.414 4.662 -0.248 1
1 157 . 5 1 1 A 19 19 PRO CB C 19 32.018 33.372 -1.354 1
1 163 . 5 1 1 A 19 19 PRO C C 19 176.659 175.797 0.862 1
1 167 . 5 1 1 A 20 20 ASN N N 20 118.582 116.486 2.096 1
1 168 . 5 1 1 A 20 20 ASN H H 20 8.508 8.394 0.114 1
1 169 . 5 1 1 A 20 20 ASN CA C 20 53.334 51.745 1.589 1
1 170 . 5 1 1 A 20 20 ASN HA H 20 4.756 5.460 -0.704 1
1 171 . 5 1 1 A 20 20 ASN CB C 20 38.964 42.611 -3.647 1
1 176 . 5 1 1 A 20 20 ASN C C 20 175.301 175.599 -0.298 1
1 178 . 5 1 1 A 21 21 SER N N 21 115.989 115.600 0.389 1
1 179 . 5 1 1 A 21 21 SER H H 21 8.360 9.165 -0.805 1
1 180 . 5 1 1 A 21 21 SER CA C 21 58.877 60.042 -1.165 1
1 181 . 5 1 1 A 21 21 SER HA H 21 4.481 4.397 0.084 1
1 182 . 5 1 1 A 21 21 SER CB C 21 63.988 63.889 0.099 1
1 184 . 5 1 1 A 21 21 SER C C 21 175.006 174.755 0.251 1
1 186 . 5 1 1 A 22 22 GLY N N 22 110.974 108.198 2.776 1
1 187 . 5 1 1 A 22 22 GLY H H 22 8.523 7.998 0.525 1
1 188 . 5 1 1 A 22 22 GLY CA C 22 45.429 45.160 0.269 1
1 189 . 5 1 1 A 22 22 GLY HA3 H 22 4.074 4.005 0.069 1
1 190 . 5 1 1 A 22 22 GLY C C 22 173.860 173.061 0.799 1
1 191 . 5 1 1 A 22 22 GLY HA2 H 22 4.074 4.005 0.069 1
1 192 . 5 1 1 A 23 23 SER N N 23 115.179 118.579 -3.400 1
1 193 . 5 1 1 A 23 23 SER H H 23 8.190 8.008 0.182 1
1 194 . 5 1 1 A 23 23 SER CA C 23 58.233 57.472 0.761 1
1 195 . 5 1 1 A 23 23 SER HA H 23 4.511 4.863 -0.352 1
1 196 . 5 1 1 A 23 23 SER CB C 23 64.511 64.926 -0.415 1
1 198 . 5 1 1 A 23 23 SER C C 23 173.263 172.118 1.145 1
1 200 . 5 1 1 A 24 24 VAL N N 24 122.289 123.226 -0.937 1
1 201 . 5 1 1 A 24 24 VAL H H 24 7.889 8.618 -0.729 1
1 202 . 5 1 1 A 24 24 VAL CA C 24 61.754 61.083 0.671 1
1 203 . 5 1 1 A 24 24 VAL HA H 24 4.567 4.798 -0.231 1
1 204 . 5 1 1 A 24 24 VAL CB C 24 33.612 32.860 0.752 1
1 214 . 5 1 1 A 24 24 VAL C C 24 174.799 174.855 -0.056 1
1 215 . 5 1 1 A 25 25 SER N N 25 118.995 124.910 -5.915 1
1 216 . 5 1 1 A 25 25 SER H H 25 8.244 9.130 -0.886 1
1 217 . 5 1 1 A 25 25 SER CA C 25 57.102 57.795 -0.693 1
1 218 . 5 1 1 A 25 25 SER HA H 25 5.039 5.355 -0.316 1
1 219 . 5 1 1 A 25 25 SER CB C 25 66.338 65.130 1.208 1
1 221 . 5 1 1 A 25 25 SER C C 25 171.718 173.877 -2.159 1
1 223 . 5 1 1 A 26 26 ALA N N 26 121.537 127.694 -6.157 1
1 224 . 5 1 1 A 26 26 ALA H H 26 8.503 9.204 -0.701 1
1 225 . 5 1 1 A 26 26 ALA CA C 26 50.695 50.233 0.462 1
1 226 . 5 1 1 A 26 26 ALA HA H 26 5.637 5.542 0.095 1
1 227 . 5 1 1 A 26 26 ALA CB C 26 23.364 22.454 0.910 1
1 231 . 5 1 1 A 26 26 ALA C C 26 175.355 175.841 -0.486 1
1 232 . 5 1 1 A 27 27 TYR N N 27 116.588 117.129 -0.541 1
1 233 . 5 1 1 A 27 27 TYR H H 27 8.885 8.364 0.521 1
1 234 . 5 1 1 A 27 27 TYR CA C 27 57.013 55.729 1.284 1
1 235 . 5 1 1 A 27 27 TYR HA H 27 4.742 5.242 -0.500 1
1 236 . 5 1 1 A 27 27 TYR CB C 27 40.325 41.482 -1.157 1
1 246 . 5 1 1 A 27 27 TYR C C 27 172.990 174.011 -1.021 1
1 248 . 5 1 1 A 28 28 GLY N N 28 108.423 106.870 1.553 1
1 249 . 5 1 1 A 28 28 GLY H H 28 8.475 8.404 0.071 1
1 250 . 5 1 1 A 28 28 GLY CA C 28 44.439 45.056 -0.617 1
1 251 . 5 1 1 A 28 28 GLY HA3 H 28 4.141 4.243 -0.102 1
1 252 . 5 1 1 A 28 28 GLY C C 28 173.419 174.030 -0.611 1
1 253 . 5 1 1 A 28 28 GLY HA2 H 28 5.092 4.202 0.890 1
1 254 . 5 1 1 A 29 29 PRO CA C 29 65.537 63.828 1.709 1
1 255 . 5 1 1 A 29 29 PRO HA H 29 4.298 4.132 0.166 1
1 256 . 5 1 1 A 29 29 PRO CB C 29 31.509 31.714 -0.205 1
1 262 . 5 1 1 A 29 29 PRO C C 29 178.493 177.223 1.270 1
1 266 . 5 1 1 A 30 30 GLY N N 30 102.459 106.953 -4.494 1
1 267 . 5 1 1 A 30 30 GLY H H 30 8.655 8.401 0.254 1
1 268 . 5 1 1 A 30 30 GLY CA C 30 46.245 46.107 0.138 1
1 269 . 5 1 1 A 30 30 GLY HA3 H 30 3.417 4.104 -0.687 1
1 270 . 5 1 1 A 30 30 GLY C C 30 172.945 174.967 -2.022 1
1 271 . 5 1 1 A 30 30 GLY HA2 H 30 4.316 4.002 0.314 1
1 272 . 5 1 1 A 31 31 LEU N N 31 116.436 121.432 -4.996 1
1 273 . 5 1 1 A 31 31 LEU H H 31 7.049 7.402 -0.353 1
1 274 . 5 1 1 A 31 31 LEU CA C 31 55.368 56.786 -1.418 1
1 275 . 5 1 1 A 31 31 LEU HA H 31 3.784 4.058 -0.274 1
1 276 . 5 1 1 A 31 31 LEU CB C 31 42.148 41.931 0.217 1
1 288 . 5 1 1 A 31 31 LEU C C 31 175.321 178.811 -3.490 1
1 290 . 5 1 1 A 32 32 VAL N N 32 112.078 117.347 -5.269 1
1 291 . 5 1 1 A 32 32 VAL H H 32 7.739 7.029 0.710 1
1 292 . 5 1 1 A 32 32 VAL CA C 32 62.956 65.144 -2.188 1
1 293 . 5 1 1 A 32 32 VAL HA H 32 4.574 3.613 0.961 1
1 294 . 5 1 1 A 32 32 VAL CB C 32 35.415 31.544 3.871 1
1 304 . 5 1 1 A 32 32 VAL C C 32 176.810 175.759 1.051 1
1 305 . 5 1 1 A 33 33 TYR N N 33 121.116 115.698 5.418 1
1 306 . 5 1 1 A 33 33 TYR H H 33 8.638 7.357 1.281 1
1 307 . 5 1 1 A 33 33 TYR CA C 33 56.523 55.948 0.575 1
1 308 . 5 1 1 A 33 33 TYR HA H 33 5.639 4.990 0.649 1
1 309 . 5 1 1 A 33 33 TYR CB C 33 42.165 41.054 1.111 1
1 319 . 5 1 1 A 33 33 TYR C C 33 172.858 173.810 -0.952 1
1 321 . 5 1 1 A 34 34 GLY N N 34 107.313 106.833 0.480 1
1 322 . 5 1 1 A 34 34 GLY H H 34 7.637 8.563 -0.926 1
1 323 . 5 1 1 A 34 34 GLY CA C 34 44.721 45.680 -0.959 1
1 324 . 5 1 1 A 34 34 GLY HA3 H 34 3.793 4.455 -0.662 1
1 325 . 5 1 1 A 34 34 GLY C C 34 170.727 171.768 -1.041 1
1 326 . 5 1 1 A 34 34 GLY HA2 H 34 3.873 4.402 -0.529 1
1 327 . 5 1 1 A 35 35 VAL N N 35 120.853 120.176 0.677 1
1 328 . 5 1 1 A 35 35 VAL H H 35 8.731 8.375 0.356 1
1 329 . 5 1 1 A 35 35 VAL CA C 35 60.627 60.006 0.621 1
1 330 . 5 1 1 A 35 35 VAL HA H 35 4.589 4.904 -0.315 1
1 331 . 5 1 1 A 35 35 VAL CB C 35 35.374 35.547 -0.173 1
1 341 . 5 1 1 A 35 35 VAL C C 35 174.813 174.825 -0.012 1
1 342 . 5 1 1 A 36 36 ALA N N 36 127.708 128.640 -0.932 1
1 343 . 5 1 1 A 36 36 ALA H H 36 8.482 8.559 -0.077 1
1 344 . 5 1 1 A 36 36 ALA CA C 36 53.332 52.854 0.478 1
1 345 . 5 1 1 A 36 36 ALA HA H 36 3.535 4.099 -0.564 1
1 346 . 5 1 1 A 36 36 ALA CB C 36 17.653 18.718 -1.065 1
1 350 . 5 1 1 A 36 36 ALA C C 36 176.968 178.178 -1.210 1
1 351 . 5 1 1 A 37 37 ASN N N 37 111.234 116.827 -5.593 1
1 352 . 5 1 1 A 37 37 ASN H H 37 9.147 8.634 0.513 1
1 353 . 5 1 1 A 37 37 ASN CA C 37 55.728 54.345 1.383 1
1 354 . 5 1 1 A 37 37 ASN HA H 37 3.962 4.237 -0.275 1
1 355 . 5 1 1 A 37 37 ASN CB C 37 37.147 36.938 0.209 1
1 360 . 5 1 1 A 37 37 ASN C C 37 173.119 173.858 -0.739 1
1 362 . 5 1 1 A 38 38 LYS N N 38 119.100 116.909 2.191 1
1 363 . 5 1 1 A 38 38 LYS H H 38 7.972 7.515 0.457 1
1 364 . 5 1 1 A 38 38 LYS CA C 38 54.306 54.604 -0.298 1
1 365 . 5 1 1 A 38 38 LYS HA H 38 4.606 4.668 -0.062 1
1 366 . 5 1 1 A 38 38 LYS CB C 38 34.799 36.263 -1.464 1
1 374 . 5 1 1 A 38 38 LYS C C 38 175.533 176.171 -0.638 1
1 379 . 5 1 1 A 39 39 THR N N 39 114.730 115.204 -0.474 1
1 380 . 5 1 1 A 39 39 THR H H 39 8.158 8.564 -0.406 1
1 381 . 5 1 1 A 39 39 THR CA C 39 63.302 62.338 0.964 1
1 382 . 5 1 1 A 39 39 THR HA H 39 4.138 4.162 -0.024 1
1 383 . 5 1 1 A 39 39 THR CB C 39 69.652 69.591 0.061 1
1 389 . 5 1 1 A 39 39 THR C C 39 174.281 174.129 0.152 1
1 390 . 5 1 1 A 40 40 ALA N N 40 129.891 124.533 5.358 1
1 391 . 5 1 1 A 40 40 ALA H H 40 8.750 8.185 0.565 1
1 392 . 5 1 1 A 40 40 ALA CA C 40 50.399 51.965 -1.566 1
1 393 . 5 1 1 A 40 40 ALA HA H 40 4.702 4.945 -0.243 1
1 394 . 5 1 1 A 40 40 ALA CB C 40 20.495 20.121 0.374 1
1 398 . 5 1 1 A 40 40 ALA C C 40 176.039 175.699 0.340 1
1 399 . 5 1 1 A 41 41 THR N N 41 112.902 117.775 -4.873 1
1 400 . 5 1 1 A 41 41 THR H H 41 8.536 8.946 -0.410 1
1 401 . 5 1 1 A 41 41 THR CA C 41 59.688 59.714 -0.026 1
1 402 . 5 1 1 A 41 41 THR HA H 41 5.779 5.633 0.146 1
1 403 . 5 1 1 A 41 41 THR CB C 41 72.348 72.037 0.311 1
1 409 . 5 1 1 A 41 41 THR C C 41 173.286 172.962 0.324 1
1 410 . 5 1 1 A 42 42 PHE N N 42 119.525 121.044 -1.519 1
1 411 . 5 1 1 A 42 42 PHE H H 42 8.825 8.116 0.709 1
1 412 . 5 1 1 A 42 42 PHE CA C 42 57.031 55.109 1.922 1
1 413 . 5 1 1 A 42 42 PHE HA H 42 5.013 5.504 -0.491 1
1 414 . 5 1 1 A 42 42 PHE CB C 42 40.155 41.706 -1.551 1
1 426 . 5 1 1 A 42 42 PHE C C 42 171.282 173.191 -1.909 1
1 428 . 5 1 1 A 43 43 THR N N 43 117.427 114.246 3.181 1
1 429 . 5 1 1 A 43 43 THR H H 43 9.210 8.357 0.853 1
1 430 . 5 1 1 A 43 43 THR CA C 43 62.250 60.998 1.252 1
1 431 . 5 1 1 A 43 43 THR HA H 43 4.987 4.930 0.057 1
1 432 . 5 1 1 A 43 43 THR CB C 43 71.510 70.495 1.015 1
1 438 . 5 1 1 A 43 43 THR C C 43 173.061 173.351 -0.290 1
1 439 . 5 1 1 A 44 44 ILE N N 44 123.638 125.393 -1.755 1
1 440 . 5 1 1 A 44 44 ILE H H 44 8.859 8.708 0.151 1
1 441 . 5 1 1 A 44 44 ILE CA C 44 59.843 59.638 0.205 1
1 442 . 5 1 1 A 44 44 ILE HA H 44 4.824 4.993 -0.169 1
1 443 . 5 1 1 A 44 44 ILE CB C 44 40.866 41.374 -0.508 1
1 455 . 5 1 1 A 44 44 ILE C C 44 174.707 174.999 -0.292 1
1 457 . 5 1 1 A 45 45 VAL N N 45 128.904 126.398 2.506 1
1 458 . 5 1 1 A 45 45 VAL H H 45 9.299 8.574 0.725 1
1 459 . 5 1 1 A 45 45 VAL CA C 45 62.119 61.763 0.356 1
1 460 . 5 1 1 A 45 45 VAL HA H 45 4.492 4.468 0.024 1
1 461 . 5 1 1 A 45 45 VAL CB C 45 32.683 31.506 1.177 1
1 471 . 5 1 1 A 45 45 VAL C C 45 175.606 175.317 0.289 1
1 472 . 5 1 1 A 46 46 THR N N 46 117.412 124.099 -6.687 1
1 473 . 5 1 1 A 46 46 THR H H 46 8.434 9.168 -0.734 1
1 474 . 5 1 1 A 46 46 THR CA C 46 60.650 61.921 -1.271 1
1 475 . 5 1 1 A 46 46 THR HA H 46 4.505 4.424 0.081 1
1 476 . 5 1 1 A 46 46 THR CB C 46 69.432 66.315 3.117 1
1 482 . 5 1 1 A 46 46 THR C C 46 174.882 174.168 0.714 1
1 483 . 5 1 1 A 47 47 GLU N N 47 122.657 125.695 -3.038 1
1 484 . 5 1 1 A 47 47 GLU H H 47 8.052 8.544 -0.492 1
1 485 . 5 1 1 A 47 47 GLU CA C 47 57.419 58.256 -0.837 1
1 486 . 5 1 1 A 47 47 GLU HA H 47 4.231 4.404 -0.173 1
1 487 . 5 1 1 A 47 47 GLU CB C 47 30.281 30.706 -0.425 1
1 491 . 5 1 1 A 47 47 GLU C C 47 175.887 176.211 -0.324 1
1 494 . 5 1 1 A 48 48 ASP N N 48 120.269 119.283 0.986 1
1 495 . 5 1 1 A 48 48 ASP H H 48 8.536 7.902 0.634 1
1 496 . 5 1 1 A 48 48 ASP CA C 48 54.396 52.795 1.601 1
1 497 . 5 1 1 A 48 48 ASP HA H 48 4.638 4.866 -0.228 1
1 498 . 5 1 1 A 48 48 ASP CB C 48 40.979 41.716 -0.737 1
1 500 . 5 1 1 A 48 48 ASP C C 48 175.709 175.142 0.567 1
1 502 . 5 1 1 A 49 49 ALA N N 49 122.506 124.465 -1.959 1
1 503 . 5 1 1 A 49 49 ALA H H 49 8.109 7.637 0.472 1
1 504 . 5 1 1 A 49 49 ALA CA C 49 52.774 50.388 2.386 1
1 505 . 5 1 1 A 49 49 ALA HA H 49 4.195 4.186 0.009 1
1 506 . 5 1 1 A 49 49 ALA CB C 49 19.343 19.349 -0.006 1
1 510 . 5 1 1 A 49 49 ALA C C 49 178.316 176.637 1.679 1
1 511 . 5 1 1 A 50 50 GLY N N 50 107.563 110.771 -3.208 1
1 512 . 5 1 1 A 50 50 GLY H H 50 8.269 8.669 -0.400 1
1 513 . 5 1 1 A 50 50 GLY CA C 50 45.288 45.848 -0.560 1
1 514 . 5 1 1 A 50 50 GLY HA3 H 50 3.993 4.296 -0.303 1
1 515 . 5 1 1 A 50 50 GLY C C 50 174.421 174.756 -0.335 1
1 516 . 5 1 1 A 50 50 GLY HA2 H 50 3.993 4.204 -0.211 1
1 517 . 5 1 1 A 51 51 GLU N N 51 121.358 119.647 1.711 1
1 518 . 5 1 1 A 51 51 GLU H H 51 8.519 8.236 0.283 1
1 519 . 5 1 1 A 51 51 GLU CA C 51 56.890 55.725 1.165 1
1 520 . 5 1 1 A 51 51 GLU HA H 51 4.309 4.516 -0.207 1
1 521 . 5 1 1 A 51 51 GLU CB C 51 30.204 29.775 0.429 1
1 525 . 5 1 1 A 51 51 GLU C C 51 177.003 175.999 1.004 1
1 528 . 5 1 1 A 52 52 GLY N N 52 109.575 109.566 0.009 1
1 529 . 5 1 1 A 52 52 GLY H H 52 8.349 8.062 0.287 1
1 530 . 5 1 1 A 52 52 GLY CA C 52 45.571 46.874 -1.303 1
1 531 . 5 1 1 A 52 52 GLY HA3 H 52 3.895 3.915 -0.020 1
1 532 . 5 1 1 A 52 52 GLY C C 52 173.666 175.122 -1.456 1
1 533 . 5 1 1 A 52 52 GLY HA2 H 52 3.810 3.911 -0.101 1
1 534 . 5 1 1 A 53 53 GLY N N 53 106.657 106.625 0.032 1
1 535 . 5 1 1 A 53 53 GLY H H 53 7.893 8.058 -0.165 1
1 536 . 5 1 1 A 53 53 GLY CA C 53 45.199 45.535 -0.336 1
1 537 . 5 1 1 A 53 53 GLY HA3 H 53 3.613 4.108 -0.495 1
1 538 . 5 1 1 A 53 53 GLY C C 53 173.414 172.541 0.873 1
1 539 . 5 1 1 A 53 53 GLY HA2 H 53 4.036 4.050 -0.014 1
1 540 . 5 1 1 A 54 54 LEU N N 54 124.121 124.835 -0.714 1
1 541 . 5 1 1 A 54 54 LEU H H 54 8.241 8.531 -0.290 1
1 542 . 5 1 1 A 54 54 LEU CA C 54 54.528 53.445 1.083 1
1 543 . 5 1 1 A 54 54 LEU HA H 54 5.056 4.105 0.951 1
1 544 . 5 1 1 A 54 54 LEU CB C 54 44.325 43.372 0.953 1
1 556 . 5 1 1 A 54 54 LEU C C 54 176.080 174.031 2.049 1
1 558 . 5 1 1 A 55 55 ASP N N 55 126.024 126.649 -0.625 1
1 559 . 5 1 1 A 55 55 ASP H H 55 8.981 9.171 -0.190 1
1 560 . 5 1 1 A 55 55 ASP CA C 55 54.095 53.023 1.072 1
1 561 . 5 1 1 A 55 55 ASP HA H 55 4.879 5.198 -0.319 1
1 562 . 5 1 1 A 55 55 ASP CB C 55 44.582 42.401 2.181 1
1 564 . 5 1 1 A 55 55 ASP C C 55 173.601 174.520 -0.919 1
1 566 . 5 1 1 A 56 56 LEU N N 56 125.098 126.931 -1.833 1
1 567 . 5 1 1 A 56 56 LEU H H 56 8.300 9.042 -0.742 1
1 568 . 5 1 1 A 56 56 LEU CA C 56 53.221 53.346 -0.125 1
1 569 . 5 1 1 A 56 56 LEU HA H 56 5.422 5.336 0.086 1
1 570 . 5 1 1 A 56 56 LEU CB C 56 46.028 45.463 0.565 1
1 582 . 5 1 1 A 56 56 LEU C C 56 175.700 174.937 0.763 1
1 584 . 5 1 1 A 57 57 ALA N N 57 125.664 126.499 -0.835 1
1 585 . 5 1 1 A 57 57 ALA H H 57 8.840 8.635 0.205 1
1 586 . 5 1 1 A 57 57 ALA CA C 57 51.851 51.372 0.479 1
1 587 . 5 1 1 A 57 57 ALA HA H 57 4.600 5.043 -0.443 1
1 588 . 5 1 1 A 57 57 ALA CB C 57 22.862 23.433 -0.571 1
1 592 . 5 1 1 A 57 57 ALA C C 57 174.504 175.559 -1.055 1
1 593 . 5 1 1 A 58 58 ILE N N 58 119.429 120.272 -0.843 1
1 594 . 5 1 1 A 58 58 ILE H H 58 8.617 8.531 0.086 1
1 595 . 5 1 1 A 58 58 ILE CA C 58 60.143 59.511 0.632 1
1 596 . 5 1 1 A 58 58 ILE HA H 58 5.272 4.920 0.352 1
1 597 . 5 1 1 A 58 58 ILE CB C 58 41.068 41.237 -0.169 1
1 609 . 5 1 1 A 58 58 ILE C C 58 175.328 174.923 0.405 1
1 611 . 5 1 1 A 59 59 GLU N N 59 128.665 124.417 4.248 1
1 612 . 5 1 1 A 59 59 GLU H H 59 9.315 9.040 0.275 1
1 613 . 5 1 1 A 59 59 GLU CA C 59 54.166 54.813 -0.647 1
1 614 . 5 1 1 A 59 59 GLU HA H 59 4.920 5.158 -0.238 1
1 615 . 5 1 1 A 59 59 GLU CB C 59 32.698 33.263 -0.565 1
1 619 . 5 1 1 A 59 59 GLU C C 59 175.108 175.687 -0.579 1
1 622 . 5 1 1 A 60 60 GLY N N 60 110.929 108.857 2.072 1
1 623 . 5 1 1 A 60 60 GLY H H 60 8.427 8.368 0.059 1
1 624 . 5 1 1 A 60 60 GLY CA C 60 45.608 45.019 0.589 1
1 625 . 5 1 1 A 60 60 GLY HA3 H 60 3.927 4.142 -0.215 1
1 626 . 5 1 1 A 60 60 GLY C C 60 171.379 174.151 -2.772 1
1 627 . 5 1 1 A 60 60 GLY HA2 H 60 3.531 4.075 -0.544 1
1 628 . 5 1 1 A 61 61 PRO CA C 61 64.103 63.870 0.233 1
1 629 . 5 1 1 A 61 61 PRO HA H 61 4.270 4.440 -0.170 1
1 630 . 5 1 1 A 61 61 PRO CB C 61 32.206 31.896 0.310 1
1 636 . 5 1 1 A 61 61 PRO C C 61 176.075 175.999 0.076 1
1 640 . 5 1 1 A 62 62 SER N N 62 108.474 112.164 -3.690 1
1 641 . 5 1 1 A 62 62 SER H H 62 7.099 7.527 -0.428 1
1 642 . 5 1 1 A 62 62 SER CA C 62 56.398 57.003 -0.605 1
1 643 . 5 1 1 A 62 62 SER HA H 62 4.655 4.719 -0.064 1
1 644 . 5 1 1 A 62 62 SER CB C 62 67.457 65.205 2.252 1
1 646 . 5 1 1 A 62 62 SER C C 62 172.805 172.712 0.093 1
1 648 . 5 1 1 A 63 63 LYS N N 63 122.679 126.068 -3.389 1
1 649 . 5 1 1 A 63 63 LYS H H 63 8.653 8.510 0.143 1
1 650 . 5 1 1 A 63 63 LYS CA C 63 55.822 56.705 -0.883 1
1 651 . 5 1 1 A 63 63 LYS HA H 63 4.449 4.452 -0.003 1
1 652 . 5 1 1 A 63 63 LYS CB C 63 31.384 33.111 -1.727 1
1 660 . 5 1 1 A 63 63 LYS C C 63 175.601 175.486 0.115 1
1 665 . 5 1 1 A 64 64 ALA N N 64 130.710 128.649 2.061 1
1 666 . 5 1 1 A 64 64 ALA H H 64 8.690 8.723 -0.033 1
1 667 . 5 1 1 A 64 64 ALA CA C 64 51.425 50.533 0.892 1
1 668 . 5 1 1 A 64 64 ALA HA H 64 4.578 5.220 -0.642 1
1 669 . 5 1 1 A 64 64 ALA CB C 64 19.803 22.521 -2.718 1
1 673 . 5 1 1 A 64 64 ALA C C 64 176.395 176.436 -0.041 1
1 674 . 5 1 1 A 65 65 GLU N N 65 123.534 121.951 1.583 1
1 675 . 5 1 1 A 65 65 GLU H H 65 8.397 8.826 -0.429 1
1 676 . 5 1 1 A 65 65 GLU CA C 65 56.854 57.520 -0.666 1
1 677 . 5 1 1 A 65 65 GLU HA H 65 4.278 4.457 -0.179 1
1 678 . 5 1 1 A 65 65 GLU CB C 65 30.346 30.623 -0.277 1
1 682 . 5 1 1 A 65 65 GLU C C 65 176.381 175.876 0.505 1
1 685 . 5 1 1 A 66 66 ILE N N 66 124.380 121.683 2.697 1
1 686 . 5 1 1 A 66 66 ILE H H 66 8.541 8.580 -0.039 1
1 687 . 5 1 1 A 66 66 ILE CA C 66 60.568 60.296 0.272 1
1 688 . 5 1 1 A 66 66 ILE HA H 66 4.865 4.812 0.053 1
1 689 . 5 1 1 A 66 66 ILE CB C 66 41.804 41.109 0.695 1
1 701 . 5 1 1 A 66 66 ILE C C 66 175.421 174.443 0.978 1
1 703 . 5 1 1 A 67 67 SER N N 67 122.057 122.694 -0.637 1
1 704 . 5 1 1 A 67 67 SER H H 67 9.035 9.278 -0.243 1
1 705 . 5 1 1 A 67 67 SER CA C 67 56.908 56.914 -0.006 1
1 706 . 5 1 1 A 67 67 SER HA H 67 4.729 4.819 -0.090 1
1 707 . 5 1 1 A 67 67 SER CB C 67 64.980 62.429 2.551 1
1 709 . 5 1 1 A 67 67 SER C C 67 172.294 173.208 -0.914 1
1 711 . 5 1 1 A 68 68 CYS N N 68 124.699 123.886 0.813 1
1 712 . 5 1 1 A 68 68 CYS H H 68 8.732 8.264 0.468 1
1 713 . 5 1 1 A 68 68 CYS CA C 68 57.310 59.212 -1.902 1
1 714 . 5 1 1 A 68 68 CYS HA H 68 5.038 4.490 0.548 1
1 715 . 5 1 1 A 68 68 CYS CB C 68 28.380 28.221 0.159 1
1 717 . 5 1 1 A 68 68 CYS C C 68 173.135 174.734 -1.599 1
1 719 . 5 1 1 A 69 69 ILE N N 69 128.680 123.474 5.206 1
1 720 . 5 1 1 A 69 69 ILE H H 69 8.757 8.602 0.155 1
1 721 . 5 1 1 A 69 69 ILE CA C 69 59.153 60.430 -1.277 1
1 722 . 5 1 1 A 69 69 ILE HA H 69 4.350 4.562 -0.212 1
1 723 . 5 1 1 A 69 69 ILE CB C 69 40.750 41.214 -0.464 1
1 735 . 5 1 1 A 69 69 ILE C C 69 174.363 174.360 0.003 1
1 737 . 5 1 1 A 70 70 ASP N N 70 126.290 128.682 -2.392 1
1 738 . 5 1 1 A 70 70 ASP H H 70 8.596 8.893 -0.297 1
1 739 . 5 1 1 A 70 70 ASP CA C 70 53.671 53.979 -0.308 1
1 740 . 5 1 1 A 70 70 ASP HA H 70 4.892 4.931 -0.039 1
1 741 . 5 1 1 A 70 70 ASP CB C 70 41.069 41.602 -0.533 1
1 743 . 5 1 1 A 70 70 ASP C C 70 176.812 174.791 2.021 1
1 745 . 5 1 1 A 71 71 ASN N N 71 125.163 124.571 0.592 1
1 746 . 5 1 1 A 71 71 ASN H H 71 8.745 8.775 -0.030 1
1 747 . 5 1 1 A 71 71 ASN CA C 71 54.626 51.864 2.762 1
1 748 . 5 1 1 A 71 71 ASN HA H 71 4.647 5.242 -0.595 1
1 749 . 5 1 1 A 71 71 ASN CB C 71 38.688 40.969 -2.281 1
1 754 . 5 1 1 A 71 71 ASN C C 71 175.657 175.321 0.336 1
1 756 . 5 1 1 A 72 72 LYS N N 72 114.425 123.255 -8.830 1
1 757 . 5 1 1 A 72 72 LYS H H 72 9.407 9.144 0.263 1
1 758 . 5 1 1 A 72 72 LYS CA C 72 57.535 56.581 0.954 1
1 759 . 5 1 1 A 72 72 LYS HA H 72 4.028 4.464 -0.436 1
1 760 . 5 1 1 A 72 72 LYS CB C 72 28.393 31.979 -3.586 1
1 768 . 5 1 1 A 72 72 LYS C C 72 175.123 176.508 -1.385 1
1 773 . 5 1 1 A 73 73 ASP N N 73 117.581 119.794 -2.213 1
1 774 . 5 1 1 A 73 73 ASP H H 73 7.881 7.752 0.129 1
1 775 . 5 1 1 A 73 73 ASP CA C 73 52.274 53.783 -1.509 1
1 776 . 5 1 1 A 73 73 ASP HA H 73 4.769 4.810 -0.041 1
1 777 . 5 1 1 A 73 73 ASP CB C 73 41.210 41.207 0.003 1
1 779 . 5 1 1 A 73 73 ASP C C 73 177.197 176.192 1.005 1
1 781 . 5 1 1 A 74 74 GLY N N 74 109.385 108.117 1.268 1
1 782 . 5 1 1 A 74 74 GLY H H 74 8.781 8.453 0.328 1
1 783 . 5 1 1 A 74 74 GLY CA C 74 45.179 45.218 -0.039 1
1 784 . 5 1 1 A 74 74 GLY HA3 H 74 3.673 3.970 -0.297 1
1 785 . 5 1 1 A 74 74 GLY C C 74 173.671 174.004 -0.333 1
1 786 . 5 1 1 A 74 74 GLY HA2 H 74 4.469 3.970 0.499 1
1 787 . 5 1 1 A 75 75 THR N N 75 110.220 111.611 -1.391 1
1 788 . 5 1 1 A 75 75 THR H H 75 8.179 7.760 0.419 1
1 789 . 5 1 1 A 75 75 THR CA C 75 59.843 60.311 -0.468 1
1 790 . 5 1 1 A 75 75 THR HA H 75 5.678 4.932 0.746 1
1 791 . 5 1 1 A 75 75 THR CB C 75 73.810 71.576 2.234 1
1 797 . 5 1 1 A 75 75 THR C C 75 173.912 172.968 0.944 1
1 798 . 5 1 1 A 76 76 CYS N N 76 117.252 119.668 -2.416 1
1 799 . 5 1 1 A 76 76 CYS H H 76 9.295 8.385 0.910 1
1 800 . 5 1 1 A 76 76 CYS CA C 76 56.716 57.804 -1.088 1
1 801 . 5 1 1 A 76 76 CYS HA H 76 5.517 5.111 0.406 1
1 802 . 5 1 1 A 76 76 CYS CB C 76 31.176 31.477 -0.301 1
1 804 . 5 1 1 A 76 76 CYS C C 76 174.083 173.155 0.928 1
1 806 . 5 1 1 A 77 77 THR N N 77 121.477 119.557 1.920 1
1 807 . 5 1 1 A 77 77 THR H H 77 9.137 8.238 0.899 1
1 808 . 5 1 1 A 77 77 THR CA C 77 62.565 61.561 1.004 1
1 809 . 5 1 1 A 77 77 THR HA H 77 4.592 4.947 -0.355 1
1 810 . 5 1 1 A 77 77 THR CB C 77 70.447 70.556 -0.109 1
1 816 . 5 1 1 A 77 77 THR C C 77 173.469 173.248 0.221 1
1 817 . 5 1 1 A 78 78 VAL N N 78 131.586 127.595 3.991 1
1 818 . 5 1 1 A 78 78 VAL H H 78 9.099 8.288 0.811 1
1 819 . 5 1 1 A 78 78 VAL CA C 78 60.604 60.767 -0.163 1
1 820 . 5 1 1 A 78 78 VAL HA H 78 4.672 4.566 0.106 1
1 821 . 5 1 1 A 78 78 VAL CB C 78 32.061 33.129 -1.068 1
1 831 . 5 1 1 A 78 78 VAL C C 78 174.618 174.599 0.019 1
1 832 . 5 1 1 A 79 79 THR N N 79 120.071 123.111 -3.040 1
1 833 . 5 1 1 A 79 79 THR H H 79 8.782 8.945 -0.163 1
1 834 . 5 1 1 A 79 79 THR CA C 79 59.685 61.680 -1.995 1
1 835 . 5 1 1 A 79 79 THR HA H 79 5.424 5.260 0.164 1
1 836 . 5 1 1 A 79 79 THR CB C 79 71.374 71.061 0.313 1
1 842 . 5 1 1 A 79 79 THR C C 79 173.250 173.629 -0.379 1
1 843 . 5 1 1 A 80 80 TYR N N 80 120.212 120.768 -0.556 1
1 844 . 5 1 1 A 80 80 TYR H H 80 9.132 8.590 0.542 1
1 845 . 5 1 1 A 80 80 TYR CA C 80 55.554 55.910 -0.356 1
1 846 . 5 1 1 A 80 80 TYR HA H 80 5.686 5.364 0.322 1
1 847 . 5 1 1 A 80 80 TYR CB C 80 42.143 41.397 0.746 1
1 857 . 5 1 1 A 80 80 TYR C C 80 172.856 172.411 0.445 1
1 859 . 5 1 1 A 81 81 LEU N N 81 121.355 123.412 -2.057 1
1 860 . 5 1 1 A 81 81 LEU H H 81 7.729 8.917 -1.188 1
1 861 . 5 1 1 A 81 81 LEU CA C 81 50.912 51.022 -0.110 1
1 862 . 5 1 1 A 81 81 LEU HA H 81 4.991 4.667 0.324 1
1 863 . 5 1 1 A 81 81 LEU CB C 81 43.636 44.949 -1.313 1
1 875 . 5 1 1 A 81 81 LEU C C 81 172.982 175.150 -2.168 1
1 877 . 5 1 1 A 82 82 PRO CA C 82 61.629 62.581 -0.952 1
1 878 . 5 1 1 A 82 82 PRO HA H 82 4.587 4.826 -0.239 1
1 879 . 5 1 1 A 82 82 PRO CB C 82 32.091 33.219 -1.128 1
1 885 . 5 1 1 A 82 82 PRO C C 82 177.683 176.844 0.839 1
1 889 . 5 1 1 A 83 83 THR N N 83 112.637 113.638 -1.001 1
1 890 . 5 1 1 A 83 83 THR H H 83 8.438 8.606 -0.168 1
1 891 . 5 1 1 A 83 83 THR CA C 83 62.207 62.939 -0.732 1
1 892 . 5 1 1 A 83 83 THR HA H 83 4.305 4.493 -0.188 1
1 893 . 5 1 1 A 83 83 THR CB C 83 69.155 70.234 -1.079 1
1 899 . 5 1 1 A 83 83 THR C C 83 173.582 174.508 -0.926 1
1 900 . 5 1 1 A 84 84 LEU N N 84 118.186 119.839 -1.653 1
1 901 . 5 1 1 A 84 84 LEU H H 84 6.839 7.693 -0.854 1
1 902 . 5 1 1 A 84 84 LEU CA C 84 51.513 51.455 0.058 1
1 903 . 5 1 1 A 84 84 LEU HA H 84 4.976 4.927 0.049 1
1 904 . 5 1 1 A 84 84 LEU CB C 84 45.838 45.536 0.302 1
1 916 . 5 1 1 A 84 84 LEU C C 84 175.119 174.394 0.725 1
1 918 . 5 1 1 A 85 85 PRO CA C 85 62.660 63.388 -0.728 1
1 919 . 5 1 1 A 85 85 PRO HA H 85 4.347 4.920 -0.573 1
1 920 . 5 1 1 A 85 85 PRO CB C 85 32.801 31.718 1.083 1
1 926 . 5 1 1 A 85 85 PRO C C 85 174.117 176.151 -2.034 1
1 930 . 5 1 1 A 86 86 GLY N N 86 106.704 108.493 -1.789 1
1 931 . 5 1 1 A 86 86 GLY H H 86 9.065 8.054 1.011 1
1 932 . 5 1 1 A 86 86 GLY CA C 86 44.520 45.464 -0.944 1
1 933 . 5 1 1 A 86 86 GLY HA3 H 86 3.838 4.095 -0.257 1
1 934 . 5 1 1 A 86 86 GLY C C 86 171.468 172.758 -1.290 1
1 935 . 5 1 1 A 86 86 GLY HA2 H 86 4.408 3.998 0.410 1
1 936 . 5 1 1 A 87 87 ASP N N 87 120.573 119.557 1.016 1
1 937 . 5 1 1 A 87 87 ASP H H 87 8.275 8.554 -0.279 1
1 938 . 5 1 1 A 87 87 ASP CA C 87 53.500 53.314 0.186 1
1 939 . 5 1 1 A 87 87 ASP HA H 87 5.498 4.807 0.691 1
1 940 . 5 1 1 A 87 87 ASP CB C 87 40.877 40.338 0.539 1
1 942 . 5 1 1 A 87 87 ASP C C 87 176.069 175.526 0.543 1
1 944 . 5 1 1 A 88 88 TYR N N 88 124.115 124.995 -0.880 1
1 945 . 5 1 1 A 88 88 TYR H H 88 9.510 9.089 0.421 1
1 946 . 5 1 1 A 88 88 TYR CA C 88 56.667 58.231 -1.564 1
1 947 . 5 1 1 A 88 88 TYR HA H 88 4.983 4.792 0.191 1
1 948 . 5 1 1 A 88 88 TYR CB C 88 39.633 39.854 -0.221 1
1 958 . 5 1 1 A 88 88 TYR C C 88 174.533 175.695 -1.162 1
1 960 . 5 1 1 A 89 89 SER N N 89 118.331 120.210 -1.879 1
1 961 . 5 1 1 A 89 89 SER H H 89 9.200 9.032 0.168 1
1 962 . 5 1 1 A 89 89 SER CA C 89 56.737 58.111 -1.374 1
1 963 . 5 1 1 A 89 89 SER HA H 89 5.346 4.955 0.391 1
1 964 . 5 1 1 A 89 89 SER CB C 89 64.421 63.188 1.233 1
1 966 . 5 1 1 A 89 89 SER C C 89 173.462 173.351 0.111 1
1 968 . 5 1 1 A 90 90 ILE N N 90 127.805 127.096 0.709 1
1 969 . 5 1 1 A 90 90 ILE H H 90 9.536 8.688 0.848 1
1 970 . 5 1 1 A 90 90 ILE CA C 90 61.209 61.519 -0.310 1
1 971 . 5 1 1 A 90 90 ILE HA H 90 4.505 4.432 0.073 1
1 972 . 5 1 1 A 90 90 ILE CB C 90 39.225 37.849 1.376 1
1 984 . 5 1 1 A 90 90 ILE C C 90 174.259 175.464 -1.205 1
1 986 . 5 1 1 A 91 91 LEU N N 91 129.968 127.196 2.772 1
1 987 . 5 1 1 A 91 91 LEU H H 91 9.354 8.879 0.475 1
1 988 . 5 1 1 A 91 91 LEU CA C 91 55.510 53.563 1.947 1
1 989 . 5 1 1 A 91 91 LEU HA H 91 4.774 5.265 -0.491 1
1 990 . 5 1 1 A 91 91 LEU CB C 91 42.674 44.252 -1.578 1
1 1002 . 5 1 1 A 91 91 LEU C C 91 175.517 175.532 -0.015 1
1 1004 . 5 1 1 A 92 92 VAL N N 92 124.859 125.512 -0.653 1
1 1005 . 5 1 1 A 92 92 VAL H H 92 9.431 9.007 0.424 1
1 1006 . 5 1 1 A 92 92 VAL CA C 92 61.488 61.154 0.334 1
1 1007 . 5 1 1 A 92 92 VAL HA H 92 4.626 4.895 -0.269 1
1 1008 . 5 1 1 A 92 92 VAL CB C 92 33.437 34.151 -0.714 1
1 1018 . 5 1 1 A 92 92 VAL C C 92 173.589 174.812 -1.223 1
1 1019 . 5 1 1 A 93 93 LYS N N 93 123.909 126.431 -2.522 1
1 1020 . 5 1 1 A 93 93 LYS H H 93 8.660 9.069 -0.409 1
1 1021 . 5 1 1 A 93 93 LYS CA C 93 53.953 54.317 -0.364 1
1 1022 . 5 1 1 A 93 93 LYS HA H 93 5.017 4.983 0.034 1
1 1023 . 5 1 1 A 93 93 LYS CB C 93 36.475 35.759 0.716 1
1 1031 . 5 1 1 A 93 93 LYS C C 93 174.746 174.630 0.116 1
1 1036 . 5 1 1 A 94 94 TYR N N 94 120.499 123.600 -3.101 1
1 1037 . 5 1 1 A 94 94 TYR H H 94 8.821 9.297 -0.476 1
1 1038 . 5 1 1 A 94 94 TYR CA C 94 56.438 57.584 -1.146 1
1 1039 . 5 1 1 A 94 94 TYR HA H 94 5.161 5.179 -0.018 1
1 1040 . 5 1 1 A 94 94 TYR CB C 94 41.931 41.668 0.263 1
1 1050 . 5 1 1 A 94 94 TYR C C 94 176.635 174.932 1.703 1
1 1052 . 5 1 1 A 95 95 ASN N N 95 128.155 126.346 1.809 1
1 1053 . 5 1 1 A 95 95 ASN H H 95 8.872 9.809 -0.937 1
1 1054 . 5 1 1 A 95 95 ASN CA C 95 54.360 54.264 0.096 1
1 1055 . 5 1 1 A 95 95 ASN HA H 95 4.215 4.425 -0.210 1
1 1056 . 5 1 1 A 95 95 ASN CB C 95 36.735 37.305 -0.570 1
1 1061 . 5 1 1 A 95 95 ASN C C 95 174.592 174.036 0.556 1
1 1063 . 5 1 1 A 96 96 ASP N N 96 110.440 110.484 -0.044 1
1 1064 . 5 1 1 A 96 96 ASP H H 96 9.304 8.518 0.786 1
1 1065 . 5 1 1 A 96 96 ASP CA C 96 55.920 55.615 0.305 1
1 1066 . 5 1 1 A 96 96 ASP HA H 96 4.030 4.188 -0.158 1
1 1067 . 5 1 1 A 96 96 ASP CB C 96 40.704 39.023 1.681 1
1 1069 . 5 1 1 A 96 96 ASP C C 96 174.657 174.589 0.068 1
1 1071 . 5 1 1 A 97 97 LYS N N 97 118.806 117.235 1.571 1
1 1072 . 5 1 1 A 97 97 LYS H H 97 7.482 7.565 -0.083 1
1 1073 . 5 1 1 A 97 97 LYS CA C 97 54.378 54.885 -0.507 1
1 1074 . 5 1 1 A 97 97 LYS HA H 97 4.715 4.782 -0.067 1
1 1075 . 5 1 1 A 97 97 LYS CB C 97 35.127 35.724 -0.597 1
1 1083 . 5 1 1 A 97 97 LYS C C 97 176.499 175.527 0.972 1
1 1088 . 5 1 1 A 98 98 HIS N N 98 124.063 122.733 1.330 1
1 1089 . 5 1 1 A 98 98 HIS H H 98 8.795 8.778 0.017 1
1 1090 . 5 1 1 A 98 98 HIS CA C 98 58.870 56.892 1.978 1
1 1091 . 5 1 1 A 98 98 HIS HA H 98 4.496 4.701 -0.205 1
1 1092 . 5 1 1 A 98 98 HIS CB C 98 32.178 30.504 1.674 1
1 1098 . 5 1 1 A 98 98 HIS C C 98 177.720 175.764 1.956 1
1 1100 . 5 1 1 A 99 99 ILE N N 99 120.049 119.483 0.566 1
1 1101 . 5 1 1 A 99 99 ILE H H 99 8.380 8.134 0.246 1
1 1102 . 5 1 1 A 99 99 ILE CA C 99 60.674 59.319 1.355 1
1 1103 . 5 1 1 A 99 99 ILE HA H 99 4.696 4.627 0.069 1
1 1104 . 5 1 1 A 99 99 ILE CB C 99 35.539 38.187 -2.648 1
1 1116 . 5 1 1 A 99 99 ILE C C 99 173.419 174.511 -1.092 1
1 1118 . 5 1 1 A 100 100 PRO CA C 100 65.343 63.545 1.798 1
1 1119 . 5 1 1 A 100 100 PRO HA H 100 4.255 4.309 -0.054 1
1 1120 . 5 1 1 A 100 100 PRO CB C 100 31.128 31.119 0.009 1
1 1126 . 5 1 1 A 100 100 PRO C C 100 176.734 177.455 -0.721 1
1 1130 . 5 1 1 A 101 101 GLY N N 101 113.906 113.156 0.750 1
1 1131 . 5 1 1 A 101 101 GLY H H 101 8.167 8.694 -0.527 1
1 1132 . 5 1 1 A 101 101 GLY CA C 101 44.668 44.789 -0.121 1
1 1133 . 5 1 1 A 101 101 GLY HA3 H 101 3.120 3.877 -0.757 1
1 1134 . 5 1 1 A 101 101 GLY C C 101 171.985 173.833 -1.848 1
1 1135 . 5 1 1 A 101 101 GLY HA2 H 101 4.140 3.847 0.293 1
1 1136 . 5 1 1 A 102 102 SER N N 102 112.418 117.298 -4.880 1
1 1137 . 5 1 1 A 102 102 SER H H 102 7.641 7.340 0.301 1
1 1138 . 5 1 1 A 102 102 SER CA C 102 54.770 55.730 -0.960 1
1 1139 . 5 1 1 A 102 102 SER HA H 102 4.107 4.180 -0.073 1
1 1140 . 5 1 1 A 102 102 SER CB C 102 62.454 64.076 -1.622 1
1 1142 . 5 1 1 A 102 102 SER C C 102 174.682 172.171 2.511 1
1 1144 . 5 1 1 A 103 103 PRO CA C 103 62.301 62.396 -0.095 1
1 1145 . 5 1 1 A 103 103 PRO HA H 103 5.363 4.655 0.708 1
1 1146 . 5 1 1 A 103 103 PRO CB C 103 33.964 32.377 1.587 1
1 1152 . 5 1 1 A 103 103 PRO C C 103 176.438 176.325 0.113 1
1 1156 . 5 1 1 A 104 104 PHE N N 104 126.067 120.424 5.643 1
1 1157 . 5 1 1 A 104 104 PHE H H 104 9.449 8.189 1.260 1
1 1158 . 5 1 1 A 104 104 PHE CA C 104 57.102 57.496 -0.394 1
1 1159 . 5 1 1 A 104 104 PHE HA H 104 4.621 4.943 -0.322 1
1 1160 . 5 1 1 A 104 104 PHE CB C 104 40.656 40.926 -0.270 1
1 1170 . 5 1 1 A 104 104 PHE C C 104 176.313 175.738 0.575 1
1 1172 . 5 1 1 A 105 105 THR N N 105 118.402 115.599 2.803 1
1 1173 . 5 1 1 A 105 105 THR H H 105 8.842 8.817 0.025 1
1 1174 . 5 1 1 A 105 105 THR CA C 105 62.018 61.282 0.736 1
1 1175 . 5 1 1 A 105 105 THR HA H 105 5.153 5.179 -0.026 1
1 1176 . 5 1 1 A 105 105 THR CB C 105 70.095 71.046 -0.951 1
1 1182 . 5 1 1 A 105 105 THR C C 105 172.525 173.244 -0.719 1
1 1183 . 5 1 1 A 106 106 ALA N N 106 131.132 129.306 1.826 1
1 1184 . 5 1 1 A 106 106 ALA H H 106 9.192 8.903 0.289 1
1 1185 . 5 1 1 A 106 106 ALA CA C 106 50.187 50.501 -0.314 1
1 1186 . 5 1 1 A 106 106 ALA HA H 106 4.435 5.198 -0.763 1
1 1187 . 5 1 1 A 106 106 ALA CB C 106 21.021 20.669 0.352 1
1 1191 . 5 1 1 A 106 106 ALA C C 106 176.136 175.990 0.146 1
1 1192 . 5 1 1 A 107 107 LYS N N 107 122.751 125.753 -3.002 1
1 1193 . 5 1 1 A 107 107 LYS H H 107 7.746 8.652 -0.906 1
1 1194 . 5 1 1 A 107 107 LYS CA C 107 55.652 56.192 -0.540 1
1 1195 . 5 1 1 A 107 107 LYS HA H 107 4.797 4.573 0.224 1
1 1196 . 5 1 1 A 107 107 LYS CB C 107 32.606 31.945 0.661 1
1 1204 . 5 1 1 A 107 107 LYS C C 107 174.648 174.959 -0.311 1
1 1209 . 5 1 1 A 108 108 ILE N N 108 127.629 127.330 0.299 1
1 1210 . 5 1 1 A 108 108 ILE H H 108 9.024 8.713 0.311 1
1 1211 . 5 1 1 A 108 108 ILE CA C 108 56.801 60.675 -3.874 1
1 1212 . 5 1 1 A 108 108 ILE HA H 108 4.688 5.178 -0.490 1
1 1213 . 5 1 1 A 108 108 ILE CB C 108 35.101 39.189 -4.088 1
1 1225 . 5 1 1 A 108 108 ILE C C 108 178.159 175.319 2.840 1
1 1227 . 5 1 1 A 109 109 THR N N 109 121.563 119.334 2.229 1
1 1228 . 5 1 1 A 109 109 THR H H 109 8.861 8.536 0.325 1
1 1229 . 5 1 1 A 109 109 THR CA C 109 60.745 59.680 1.065 1
1 1230 . 5 1 1 A 109 109 THR HA H 109 4.778 4.862 -0.084 1
1 1231 . 5 1 1 A 109 109 THR CB C 109 71.067 71.339 -0.272 1
1 1237 . 5 1 1 A 109 109 THR C C 109 173.421 172.366 1.055 1
1 1238 . 5 1 1 A 110 110 ASP N N 110 119.526 122.593 -3.067 1
1 1239 . 5 1 1 A 110 110 ASP H H 110 8.631 8.620 0.011 1
1 1240 . 5 1 1 A 110 110 ASP CA C 110 53.971 52.587 1.384 1
1 1241 . 5 1 1 A 110 110 ASP HA H 110 4.729 4.993 -0.264 1
1 1242 . 5 1 1 A 110 110 ASP CB C 110 42.087 42.297 -0.210 1
1 1244 . 5 1 1 A 110 110 ASP C C 110 176.124 175.421 0.703 1
1 1246 . 5 1 1 A 111 111 ASP N N 111 122.287 121.223 1.064 1
1 1247 . 5 1 1 A 111 111 ASP H H 111 8.638 9.084 -0.446 1
1 1248 . 5 1 1 A 111 111 ASP CA C 111 54.042 55.660 -1.618 1
1 1249 . 5 1 1 A 111 111 ASP HA H 111 4.644 4.771 -0.127 1
1 1250 . 5 1 1 A 111 111 ASP CB C 111 41.218 42.749 -1.531 1
1 1252 . 5 1 1 A 111 111 ASP C C 111 176.668 175.952 0.716 1
1 1254 . 5 1 1 A 112 112 SER N N 112 117.157 113.511 3.646 1
1 1255 . 5 1 1 A 112 112 SER H H 112 8.416 8.022 0.394 1
1 1256 . 5 1 1 A 112 112 SER CA C 112 59.277 59.153 0.124 1
1 1257 . 5 1 1 A 112 112 SER HA H 112 4.348 4.067 0.281 1
1 1258 . 5 1 1 A 112 112 SER CB C 112 63.943 60.699 3.244 1
1 1260 . 5 1 1 A 112 112 SER C C 112 174.721 173.467 1.254 1
1 1262 . 5 1 1 A 113 113 ARG N N 113 122.178 120.944 1.234 1
1 1263 . 5 1 1 A 113 113 ARG H H 113 8.238 7.799 0.439 1
1 1264 . 5 1 1 A 113 113 ARG CA C 113 56.195 56.620 -0.425 1
1 1265 . 5 1 1 A 113 113 ARG HA H 113 4.347 4.263 0.084 1
1 1266 . 5 1 1 A 113 113 ARG CB C 113 30.470 31.462 -0.992 1
1 1271 . 5 1 1 A 113 113 ARG C C 113 176.207 175.132 1.075 1
1 1275 . 5 1 1 A 114 114 ARG N N 114 122.696 125.911 -3.215 1
1 1276 . 5 1 1 A 114 114 ARG H H 114 8.338 8.453 -0.115 1
1 1277 . 5 1 1 A 114 114 ARG CA C 114 56.164 54.728 1.436 1
1 1278 . 5 1 1 A 114 114 ARG HA H 114 4.390 4.845 -0.455 1
1 1279 . 5 1 1 A 114 114 ARG CB C 114 30.679 34.215 -3.536 1
1 1285 . 5 1 1 A 114 114 ARG C C 114 175.468 174.674 0.794 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 44.699 45.589 -0.890 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.124 4.235 -0.111 1
1 3 . 6 1 1 A 7 7 GLY HA2 H 7 4.124 4.235 -0.111 1
1 4 . 6 1 1 A 8 8 PRO CA C 8 63.321 62.690 0.631 1
1 5 . 6 1 1 A 8 8 PRO HA H 8 4.418 4.715 -0.297 1
1 6 . 6 1 1 A 8 8 PRO CB C 8 32.104 30.536 1.568 1
1 12 . 6 1 1 A 8 8 PRO C C 8 177.159 175.032 2.127 1
1 16 . 6 1 1 A 9 9 GLU N N 9 120.837 124.444 -3.607 1
1 17 . 6 1 1 A 9 9 GLU H H 9 8.612 8.329 0.283 1
1 18 . 6 1 1 A 9 9 GLU CA C 9 56.642 56.010 0.632 1
1 19 . 6 1 1 A 9 9 GLU HA H 9 4.282 4.832 -0.550 1
1 20 . 6 1 1 A 9 9 GLU CB C 9 30.181 33.440 -3.259 1
1 24 . 6 1 1 A 9 9 GLU C C 9 176.387 174.508 1.879 1
1 27 . 6 1 1 A 10 10 SER N N 10 117.776 120.071 -2.295 1
1 28 . 6 1 1 A 10 10 SER H H 10 8.264 8.520 -0.256 1
1 29 . 6 1 1 A 10 10 SER CA C 10 56.382 56.209 0.173 1
1 30 . 6 1 1 A 10 10 SER HA H 10 4.763 4.905 -0.142 1
1 31 . 6 1 1 A 10 10 SER CB C 10 63.575 66.454 -2.879 1
1 33 . 6 1 1 A 10 10 SER C C 10 172.958 171.597 1.361 1
1 35 . 6 1 1 A 11 11 PRO CA C 11 63.404 62.687 0.717 1
1 36 . 6 1 1 A 11 11 PRO HA H 11 4.432 4.756 -0.324 1
1 37 . 6 1 1 A 11 11 PRO CB C 11 31.958 30.948 1.010 1
1 43 . 6 1 1 A 11 11 PRO C C 11 176.922 176.534 0.388 1
1 47 . 6 1 1 A 12 12 LEU N N 12 121.245 118.713 2.532 1
1 48 . 6 1 1 A 12 12 LEU H H 12 8.172 8.276 -0.104 1
1 49 . 6 1 1 A 12 12 LEU CA C 12 55.521 53.337 2.184 1
1 50 . 6 1 1 A 12 12 LEU HA H 12 4.236 4.720 -0.484 1
1 51 . 6 1 1 A 12 12 LEU CB C 12 42.138 42.914 -0.776 1
1 63 . 6 1 1 A 12 12 LEU C C 12 177.236 175.951 1.285 1
1 65 . 6 1 1 A 13 13 GLN N N 13 120.086 118.729 1.357 1
1 66 . 6 1 1 A 13 13 GLN H H 13 8.098 8.473 -0.375 1
1 67 . 6 1 1 A 13 13 GLN CA C 13 55.785 54.929 0.856 1
1 68 . 6 1 1 A 13 13 GLN HA H 13 4.220 4.710 -0.490 1
1 69 . 6 1 1 A 13 13 GLN CB C 13 29.628 31.489 -1.861 1
1 76 . 6 1 1 A 13 13 GLN C C 13 175.243 174.003 1.240 1
1 79 . 6 1 1 A 14 14 PHE N N 14 120.461 118.254 2.207 1
1 80 . 6 1 1 A 14 14 PHE H H 14 8.056 8.104 -0.048 1
1 81 . 6 1 1 A 14 14 PHE CA C 14 57.739 56.159 1.580 1
1 82 . 6 1 1 A 14 14 PHE HA H 14 4.545 5.070 -0.525 1
1 83 . 6 1 1 A 14 14 PHE CB C 14 39.825 40.446 -0.621 1
1 95 . 6 1 1 A 14 14 PHE C C 14 175.022 171.852 3.170 1
1 97 . 6 1 1 A 15 15 TYR N N 15 121.213 117.914 3.299 1
1 98 . 6 1 1 A 15 15 TYR H H 15 8.004 8.989 -0.985 1
1 99 . 6 1 1 A 15 15 TYR CA C 15 57.756 56.562 1.194 1
1 100 . 6 1 1 A 15 15 TYR HA H 15 4.506 5.149 -0.643 1
1 101 . 6 1 1 A 15 15 TYR CB C 15 39.012 40.922 -1.910 1
1 111 . 6 1 1 A 15 15 TYR C C 15 175.174 175.288 -0.114 1
1 113 . 6 1 1 A 16 16 VAL N N 16 121.693 123.070 -1.377 1
1 114 . 6 1 1 A 16 16 VAL H H 16 7.900 8.758 -0.858 1
1 115 . 6 1 1 A 16 16 VAL CA C 16 62.248 61.722 0.526 1
1 116 . 6 1 1 A 16 16 VAL HA H 16 3.932 4.220 -0.288 1
1 117 . 6 1 1 A 16 16 VAL CB C 16 33.023 32.312 0.711 1
1 127 . 6 1 1 A 16 16 VAL C C 16 175.016 175.058 -0.042 1
1 128 . 6 1 1 A 17 17 ASN N N 17 121.488 123.684 -2.196 1
1 129 . 6 1 1 A 17 17 ASN H H 17 8.198 8.479 -0.281 1
1 130 . 6 1 1 A 17 17 ASN CA C 17 52.948 52.649 0.299 1
1 131 . 6 1 1 A 17 17 ASN HA H 17 4.630 4.861 -0.231 1
1 132 . 6 1 1 A 17 17 ASN CB C 17 39.289 42.693 -3.404 1
1 137 . 6 1 1 A 17 17 ASN C C 17 174.167 172.813 1.354 1
1 139 . 6 1 1 A 18 18 TYR N N 18 122.069 122.827 -0.758 1
1 140 . 6 1 1 A 18 18 TYR H H 18 8.117 8.633 -0.516 1
1 141 . 6 1 1 A 18 18 TYR CA C 18 55.970 55.872 0.098 1
1 142 . 6 1 1 A 18 18 TYR HA H 18 4.771 4.895 -0.124 1
1 143 . 6 1 1 A 18 18 TYR CB C 18 38.260 41.526 -3.266 1
1 153 . 6 1 1 A 18 18 TYR C C 18 173.978 175.620 -1.642 1
1 155 . 6 1 1 A 19 19 PRO CA C 19 63.378 64.236 -0.858 1
1 156 . 6 1 1 A 19 19 PRO HA H 19 4.414 4.459 -0.045 1
1 157 . 6 1 1 A 19 19 PRO CB C 19 32.018 31.904 0.114 1
1 163 . 6 1 1 A 19 19 PRO C C 19 176.659 176.104 0.555 1
1 167 . 6 1 1 A 20 20 ASN N N 20 118.582 115.494 3.088 1
1 168 . 6 1 1 A 20 20 ASN H H 20 8.508 7.675 0.833 1
1 169 . 6 1 1 A 20 20 ASN CA C 20 53.334 52.874 0.460 1
1 170 . 6 1 1 A 20 20 ASN HA H 20 4.756 5.130 -0.374 1
1 171 . 6 1 1 A 20 20 ASN CB C 20 38.964 41.558 -2.594 1
1 176 . 6 1 1 A 20 20 ASN C C 20 175.301 173.080 2.221 1
1 178 . 6 1 1 A 21 21 SER N N 21 115.989 119.842 -3.853 1
1 179 . 6 1 1 A 21 21 SER H H 21 8.360 8.880 -0.520 1
1 180 . 6 1 1 A 21 21 SER CA C 21 58.877 56.799 2.078 1
1 181 . 6 1 1 A 21 21 SER HA H 21 4.481 5.048 -0.567 1
1 182 . 6 1 1 A 21 21 SER CB C 21 63.988 65.598 -1.610 1
1 184 . 6 1 1 A 21 21 SER C C 21 175.006 172.755 2.251 1
1 186 . 6 1 1 A 22 22 GLY N N 22 110.974 111.586 -0.612 1
1 187 . 6 1 1 A 22 22 GLY H H 22 8.523 8.488 0.035 1
1 188 . 6 1 1 A 22 22 GLY CA C 22 45.429 45.638 -0.209 1
1 189 . 6 1 1 A 22 22 GLY HA3 H 22 4.074 4.222 -0.148 1
1 190 . 6 1 1 A 22 22 GLY C C 22 173.860 173.601 0.259 1
1 191 . 6 1 1 A 22 22 GLY HA2 H 22 4.074 4.212 -0.138 1
1 192 . 6 1 1 A 23 23 SER N N 23 115.179 115.079 0.100 1
1 193 . 6 1 1 A 23 23 SER H H 23 8.190 8.470 -0.280 1
1 194 . 6 1 1 A 23 23 SER CA C 23 58.233 57.321 0.912 1
1 195 . 6 1 1 A 23 23 SER HA H 23 4.511 5.111 -0.600 1
1 196 . 6 1 1 A 23 23 SER CB C 23 64.511 66.647 -2.136 1
1 198 . 6 1 1 A 23 23 SER C C 23 173.263 172.974 0.289 1
1 200 . 6 1 1 A 24 24 VAL N N 24 122.289 122.335 -0.046 1
1 201 . 6 1 1 A 24 24 VAL H H 24 7.889 8.629 -0.740 1
1 202 . 6 1 1 A 24 24 VAL CA C 24 61.754 60.516 1.238 1
1 203 . 6 1 1 A 24 24 VAL HA H 24 4.567 5.021 -0.454 1
1 204 . 6 1 1 A 24 24 VAL CB C 24 33.612 34.503 -0.891 1
1 214 . 6 1 1 A 24 24 VAL C C 24 174.799 174.785 0.014 1
1 215 . 6 1 1 A 25 25 SER N N 25 118.995 123.474 -4.479 1
1 216 . 6 1 1 A 25 25 SER H H 25 8.244 8.809 -0.565 1
1 217 . 6 1 1 A 25 25 SER CA C 25 57.102 57.654 -0.552 1
1 218 . 6 1 1 A 25 25 SER HA H 25 5.039 5.321 -0.282 1
1 219 . 6 1 1 A 25 25 SER CB C 25 66.338 66.418 -0.080 1
1 221 . 6 1 1 A 25 25 SER C C 25 171.718 173.072 -1.354 1
1 223 . 6 1 1 A 26 26 ALA N N 26 121.537 127.598 -6.061 1
1 224 . 6 1 1 A 26 26 ALA H H 26 8.503 9.009 -0.506 1
1 225 . 6 1 1 A 26 26 ALA CA C 26 50.695 50.105 0.590 1
1 226 . 6 1 1 A 26 26 ALA HA H 26 5.637 5.352 0.285 1
1 227 . 6 1 1 A 26 26 ALA CB C 26 23.364 21.560 1.804 1
1 231 . 6 1 1 A 26 26 ALA C C 26 175.355 176.028 -0.673 1
1 232 . 6 1 1 A 27 27 TYR N N 27 116.588 118.319 -1.731 1
1 233 . 6 1 1 A 27 27 TYR H H 27 8.885 8.589 0.296 1
1 234 . 6 1 1 A 27 27 TYR CA C 27 57.013 55.483 1.530 1
1 235 . 6 1 1 A 27 27 TYR HA H 27 4.742 5.399 -0.657 1
1 236 . 6 1 1 A 27 27 TYR CB C 27 40.325 41.751 -1.426 1
1 246 . 6 1 1 A 27 27 TYR C C 27 172.990 173.877 -0.887 1
1 248 . 6 1 1 A 28 28 GLY N N 28 108.423 107.221 1.202 1
1 249 . 6 1 1 A 28 28 GLY H H 28 8.475 8.364 0.111 1
1 250 . 6 1 1 A 28 28 GLY CA C 28 44.439 45.259 -0.820 1
1 251 . 6 1 1 A 28 28 GLY HA3 H 28 4.141 4.288 -0.147 1
1 252 . 6 1 1 A 28 28 GLY C C 28 173.419 174.006 -0.587 1
1 253 . 6 1 1 A 28 28 GLY HA2 H 28 5.092 4.258 0.834 1
1 254 . 6 1 1 A 29 29 PRO CA C 29 65.537 63.861 1.676 1
1 255 . 6 1 1 A 29 29 PRO HA H 29 4.298 4.219 0.079 1
1 256 . 6 1 1 A 29 29 PRO CB C 29 31.509 31.711 -0.202 1
1 262 . 6 1 1 A 29 29 PRO C C 29 178.493 177.138 1.355 1
1 266 . 6 1 1 A 30 30 GLY N N 30 102.459 107.220 -4.761 1
1 267 . 6 1 1 A 30 30 GLY H H 30 8.655 8.439 0.216 1
1 268 . 6 1 1 A 30 30 GLY CA C 30 46.245 46.215 0.030 1
1 269 . 6 1 1 A 30 30 GLY HA3 H 30 3.417 4.149 -0.732 1
1 270 . 6 1 1 A 30 30 GLY C C 30 172.945 175.072 -2.127 1
1 271 . 6 1 1 A 30 30 GLY HA2 H 30 4.316 3.979 0.337 1
1 272 . 6 1 1 A 31 31 LEU N N 31 116.436 121.392 -4.956 1
1 273 . 6 1 1 A 31 31 LEU H H 31 7.049 7.397 -0.348 1
1 274 . 6 1 1 A 31 31 LEU CA C 31 55.368 56.672 -1.304 1
1 275 . 6 1 1 A 31 31 LEU HA H 31 3.784 4.054 -0.270 1
1 276 . 6 1 1 A 31 31 LEU CB C 31 42.148 41.870 0.278 1
1 288 . 6 1 1 A 31 31 LEU C C 31 175.321 178.665 -3.344 1
1 290 . 6 1 1 A 32 32 VAL N N 32 112.078 117.939 -5.861 1
1 291 . 6 1 1 A 32 32 VAL H H 32 7.739 7.022 0.717 1
1 292 . 6 1 1 A 32 32 VAL CA C 32 62.956 64.968 -2.012 1
1 293 . 6 1 1 A 32 32 VAL HA H 32 4.574 3.609 0.965 1
1 294 . 6 1 1 A 32 32 VAL CB C 32 35.415 31.479 3.936 1
1 304 . 6 1 1 A 32 32 VAL C C 32 176.810 175.752 1.058 1
1 305 . 6 1 1 A 33 33 TYR N N 33 121.116 115.693 5.423 1
1 306 . 6 1 1 A 33 33 TYR H H 33 8.638 7.380 1.258 1
1 307 . 6 1 1 A 33 33 TYR CA C 33 56.523 55.974 0.549 1
1 308 . 6 1 1 A 33 33 TYR HA H 33 5.639 4.938 0.701 1
1 309 . 6 1 1 A 33 33 TYR CB C 33 42.165 40.532 1.633 1
1 319 . 6 1 1 A 33 33 TYR C C 33 172.858 173.816 -0.958 1
1 321 . 6 1 1 A 34 34 GLY N N 34 107.313 106.859 0.454 1
1 322 . 6 1 1 A 34 34 GLY H H 34 7.637 8.582 -0.945 1
1 323 . 6 1 1 A 34 34 GLY CA C 34 44.721 46.118 -1.397 1
1 324 . 6 1 1 A 34 34 GLY HA3 H 34 3.793 4.503 -0.710 1
1 325 . 6 1 1 A 34 34 GLY C C 34 170.727 171.829 -1.102 1
1 326 . 6 1 1 A 34 34 GLY HA2 H 34 3.873 4.453 -0.580 1
1 327 . 6 1 1 A 35 35 VAL N N 35 120.853 120.073 0.780 1
1 328 . 6 1 1 A 35 35 VAL H H 35 8.731 8.380 0.351 1
1 329 . 6 1 1 A 35 35 VAL CA C 35 60.627 60.157 0.470 1
1 330 . 6 1 1 A 35 35 VAL HA H 35 4.589 4.918 -0.329 1
1 331 . 6 1 1 A 35 35 VAL CB C 35 35.374 36.032 -0.658 1
1 341 . 6 1 1 A 35 35 VAL C C 35 174.813 174.412 0.401 1
1 342 . 6 1 1 A 36 36 ALA N N 36 127.708 127.221 0.487 1
1 343 . 6 1 1 A 36 36 ALA H H 36 8.482 8.232 0.250 1
1 344 . 6 1 1 A 36 36 ALA CA C 36 53.332 53.461 -0.129 1
1 345 . 6 1 1 A 36 36 ALA HA H 36 3.535 4.179 -0.644 1
1 346 . 6 1 1 A 36 36 ALA CB C 36 17.653 18.764 -1.111 1
1 350 . 6 1 1 A 36 36 ALA C C 36 176.968 178.247 -1.279 1
1 351 . 6 1 1 A 37 37 ASN N N 37 111.234 117.006 -5.772 1
1 352 . 6 1 1 A 37 37 ASN H H 37 9.147 8.598 0.549 1
1 353 . 6 1 1 A 37 37 ASN CA C 37 55.728 54.320 1.408 1
1 354 . 6 1 1 A 37 37 ASN HA H 37 3.962 4.322 -0.360 1
1 355 . 6 1 1 A 37 37 ASN CB C 37 37.147 37.157 -0.010 1
1 360 . 6 1 1 A 37 37 ASN C C 37 173.119 174.175 -1.056 1
1 362 . 6 1 1 A 38 38 LYS N N 38 119.100 117.310 1.790 1
1 363 . 6 1 1 A 38 38 LYS H H 38 7.972 7.048 0.924 1
1 364 . 6 1 1 A 38 38 LYS CA C 38 54.306 54.275 0.031 1
1 365 . 6 1 1 A 38 38 LYS HA H 38 4.606 4.853 -0.247 1
1 366 . 6 1 1 A 38 38 LYS CB C 38 34.799 36.214 -1.415 1
1 374 . 6 1 1 A 38 38 LYS C C 38 175.533 175.786 -0.253 1
1 379 . 6 1 1 A 39 39 THR N N 39 114.730 113.948 0.782 1
1 380 . 6 1 1 A 39 39 THR H H 39 8.158 8.455 -0.297 1
1 381 . 6 1 1 A 39 39 THR CA C 39 63.302 61.347 1.955 1
1 382 . 6 1 1 A 39 39 THR HA H 39 4.138 4.639 -0.501 1
1 383 . 6 1 1 A 39 39 THR CB C 39 69.652 69.831 -0.179 1
1 389 . 6 1 1 A 39 39 THR C C 39 174.281 173.893 0.388 1
1 390 . 6 1 1 A 40 40 ALA N N 40 129.891 125.696 4.195 1
1 391 . 6 1 1 A 40 40 ALA H H 40 8.750 8.101 0.649 1
1 392 . 6 1 1 A 40 40 ALA CA C 40 50.399 51.013 -0.614 1
1 393 . 6 1 1 A 40 40 ALA HA H 40 4.702 5.036 -0.334 1
1 394 . 6 1 1 A 40 40 ALA CB C 40 20.495 21.316 -0.821 1
1 398 . 6 1 1 A 40 40 ALA C C 40 176.039 175.660 0.379 1
1 399 . 6 1 1 A 41 41 THR N N 41 112.902 117.583 -4.681 1
1 400 . 6 1 1 A 41 41 THR H H 41 8.536 8.837 -0.301 1
1 401 . 6 1 1 A 41 41 THR CA C 41 59.688 59.727 -0.039 1
1 402 . 6 1 1 A 41 41 THR HA H 41 5.779 5.261 0.518 1
1 403 . 6 1 1 A 41 41 THR CB C 41 72.348 72.067 0.281 1
1 409 . 6 1 1 A 41 41 THR C C 41 173.286 172.639 0.647 1
1 410 . 6 1 1 A 42 42 PHE N N 42 119.525 119.852 -0.327 1
1 411 . 6 1 1 A 42 42 PHE H H 42 8.825 8.515 0.310 1
1 412 . 6 1 1 A 42 42 PHE CA C 42 57.031 55.412 1.619 1
1 413 . 6 1 1 A 42 42 PHE HA H 42 5.013 5.412 -0.399 1
1 414 . 6 1 1 A 42 42 PHE CB C 42 40.155 42.118 -1.963 1
1 426 . 6 1 1 A 42 42 PHE C C 42 171.282 172.384 -1.102 1
1 428 . 6 1 1 A 43 43 THR N N 43 117.427 113.969 3.458 1
1 429 . 6 1 1 A 43 43 THR H H 43 9.210 8.360 0.850 1
1 430 . 6 1 1 A 43 43 THR CA C 43 62.250 60.514 1.736 1
1 431 . 6 1 1 A 43 43 THR HA H 43 4.987 5.140 -0.153 1
1 432 . 6 1 1 A 43 43 THR CB C 43 71.510 71.631 -0.121 1
1 438 . 6 1 1 A 43 43 THR C C 43 173.061 173.377 -0.316 1
1 439 . 6 1 1 A 44 44 ILE N N 44 123.638 123.881 -0.243 1
1 440 . 6 1 1 A 44 44 ILE H H 44 8.859 8.399 0.460 1
1 441 . 6 1 1 A 44 44 ILE CA C 44 59.843 60.226 -0.383 1
1 442 . 6 1 1 A 44 44 ILE HA H 44 4.824 4.765 0.059 1
1 443 . 6 1 1 A 44 44 ILE CB C 44 40.866 41.911 -1.045 1
1 455 . 6 1 1 A 44 44 ILE C C 44 174.707 174.913 -0.206 1
1 457 . 6 1 1 A 45 45 VAL N N 45 128.904 128.429 0.475 1
1 458 . 6 1 1 A 45 45 VAL H H 45 9.299 8.626 0.673 1
1 459 . 6 1 1 A 45 45 VAL CA C 45 62.119 62.897 -0.778 1
1 460 . 6 1 1 A 45 45 VAL HA H 45 4.492 4.158 0.334 1
1 461 . 6 1 1 A 45 45 VAL CB C 45 32.683 30.497 2.186 1
1 471 . 6 1 1 A 45 45 VAL C C 45 175.606 175.314 0.292 1
1 472 . 6 1 1 A 46 46 THR N N 46 117.412 124.567 -7.155 1
1 473 . 6 1 1 A 46 46 THR H H 46 8.434 8.737 -0.303 1
1 474 . 6 1 1 A 46 46 THR CA C 46 60.650 61.787 -1.137 1
1 475 . 6 1 1 A 46 46 THR HA H 46 4.505 4.583 -0.078 1
1 476 . 6 1 1 A 46 46 THR CB C 46 69.432 67.038 2.394 1
1 482 . 6 1 1 A 46 46 THR C C 46 174.882 173.855 1.027 1
1 483 . 6 1 1 A 47 47 GLU N N 47 122.657 125.140 -2.483 1
1 484 . 6 1 1 A 47 47 GLU H H 47 8.052 8.399 -0.347 1
1 485 . 6 1 1 A 47 47 GLU CA C 47 57.419 56.372 1.047 1
1 486 . 6 1 1 A 47 47 GLU HA H 47 4.231 4.435 -0.204 1
1 487 . 6 1 1 A 47 47 GLU CB C 47 30.281 29.484 0.797 1
1 491 . 6 1 1 A 47 47 GLU C C 47 175.887 176.243 -0.356 1
1 494 . 6 1 1 A 48 48 ASP N N 48 120.269 122.107 -1.838 1
1 495 . 6 1 1 A 48 48 ASP H H 48 8.536 9.075 -0.539 1
1 496 . 6 1 1 A 48 48 ASP CA C 48 54.396 55.485 -1.089 1
1 497 . 6 1 1 A 48 48 ASP HA H 48 4.638 4.164 0.474 1
1 498 . 6 1 1 A 48 48 ASP CB C 48 40.979 39.380 1.599 1
1 500 . 6 1 1 A 48 48 ASP C C 48 175.709 175.609 0.100 1
1 502 . 6 1 1 A 49 49 ALA N N 49 122.506 119.803 2.703 1
1 503 . 6 1 1 A 49 49 ALA H H 49 8.109 7.826 0.283 1
1 504 . 6 1 1 A 49 49 ALA CA C 49 52.774 51.168 1.606 1
1 505 . 6 1 1 A 49 49 ALA HA H 49 4.195 4.550 -0.355 1
1 506 . 6 1 1 A 49 49 ALA CB C 49 19.343 18.773 0.570 1
1 510 . 6 1 1 A 49 49 ALA C C 49 178.316 177.769 0.547 1
1 511 . 6 1 1 A 50 50 GLY N N 50 107.563 107.401 0.162 1
1 512 . 6 1 1 A 50 50 GLY H H 50 8.269 8.204 0.065 1
1 513 . 6 1 1 A 50 50 GLY CA C 50 45.288 45.882 -0.594 1
1 514 . 6 1 1 A 50 50 GLY HA3 H 50 3.993 3.985 0.008 1
1 515 . 6 1 1 A 50 50 GLY C C 50 174.421 174.872 -0.451 1
1 516 . 6 1 1 A 50 50 GLY HA2 H 50 3.993 3.981 0.012 1
1 517 . 6 1 1 A 51 51 GLU N N 51 121.358 117.176 4.182 1
1 518 . 6 1 1 A 51 51 GLU H H 51 8.519 8.202 0.317 1
1 519 . 6 1 1 A 51 51 GLU CA C 51 56.890 55.980 0.910 1
1 520 . 6 1 1 A 51 51 GLU HA H 51 4.309 4.273 0.036 1
1 521 . 6 1 1 A 51 51 GLU CB C 51 30.204 29.039 1.165 1
1 525 . 6 1 1 A 51 51 GLU C C 51 177.003 176.265 0.738 1
1 528 . 6 1 1 A 52 52 GLY N N 52 109.575 109.884 -0.309 1
1 529 . 6 1 1 A 52 52 GLY H H 52 8.349 7.891 0.458 1
1 530 . 6 1 1 A 52 52 GLY CA C 52 45.571 45.089 0.482 1
1 531 . 6 1 1 A 52 52 GLY HA3 H 52 3.895 4.206 -0.311 1
1 532 . 6 1 1 A 52 52 GLY C C 52 173.666 173.008 0.658 1
1 533 . 6 1 1 A 52 52 GLY HA2 H 52 3.810 4.123 -0.313 1
1 534 . 6 1 1 A 53 53 GLY N N 53 106.657 111.539 -4.882 1
1 535 . 6 1 1 A 53 53 GLY H H 53 7.893 8.453 -0.560 1
1 536 . 6 1 1 A 53 53 GLY CA C 53 45.199 45.033 0.166 1
1 537 . 6 1 1 A 53 53 GLY HA3 H 53 3.613 4.304 -0.691 1
1 538 . 6 1 1 A 53 53 GLY C C 53 173.414 171.855 1.559 1
1 539 . 6 1 1 A 53 53 GLY HA2 H 53 4.036 4.260 -0.224 1
1 540 . 6 1 1 A 54 54 LEU N N 54 124.121 126.694 -2.573 1
1 541 . 6 1 1 A 54 54 LEU H H 54 8.241 9.136 -0.895 1
1 542 . 6 1 1 A 54 54 LEU CA C 54 54.528 53.879 0.649 1
1 543 . 6 1 1 A 54 54 LEU HA H 54 5.056 5.342 -0.286 1
1 544 . 6 1 1 A 54 54 LEU CB C 54 44.325 45.269 -0.944 1
1 556 . 6 1 1 A 54 54 LEU C C 54 176.080 174.270 1.810 1
1 558 . 6 1 1 A 55 55 ASP N N 55 126.024 127.440 -1.416 1
1 559 . 6 1 1 A 55 55 ASP H H 55 8.981 9.427 -0.446 1
1 560 . 6 1 1 A 55 55 ASP CA C 55 54.095 52.899 1.196 1
1 561 . 6 1 1 A 55 55 ASP HA H 55 4.879 5.374 -0.495 1
1 562 . 6 1 1 A 55 55 ASP CB C 55 44.582 44.718 -0.136 1
1 564 . 6 1 1 A 55 55 ASP C C 55 173.601 173.953 -0.352 1
1 566 . 6 1 1 A 56 56 LEU N N 56 125.098 125.430 -0.332 1
1 567 . 6 1 1 A 56 56 LEU H H 56 8.300 8.889 -0.589 1
1 568 . 6 1 1 A 56 56 LEU CA C 56 53.221 53.752 -0.531 1
1 569 . 6 1 1 A 56 56 LEU HA H 56 5.422 5.257 0.165 1
1 570 . 6 1 1 A 56 56 LEU CB C 56 46.028 46.477 -0.449 1
1 582 . 6 1 1 A 56 56 LEU C C 56 175.700 174.769 0.931 1
1 584 . 6 1 1 A 57 57 ALA N N 57 125.664 126.112 -0.448 1
1 585 . 6 1 1 A 57 57 ALA H H 57 8.840 8.381 0.459 1
1 586 . 6 1 1 A 57 57 ALA CA C 57 51.851 51.924 -0.073 1
1 587 . 6 1 1 A 57 57 ALA HA H 57 4.600 5.001 -0.401 1
1 588 . 6 1 1 A 57 57 ALA CB C 57 22.862 22.135 0.727 1
1 592 . 6 1 1 A 57 57 ALA C C 57 174.504 175.956 -1.452 1
1 593 . 6 1 1 A 58 58 ILE N N 58 119.429 123.405 -3.976 1
1 594 . 6 1 1 A 58 58 ILE H H 58 8.617 8.758 -0.141 1
1 595 . 6 1 1 A 58 58 ILE CA C 58 60.143 59.550 0.593 1
1 596 . 6 1 1 A 58 58 ILE HA H 58 5.272 5.064 0.208 1
1 597 . 6 1 1 A 58 58 ILE CB C 58 41.068 40.517 0.551 1
1 609 . 6 1 1 A 58 58 ILE C C 58 175.328 175.008 0.320 1
1 611 . 6 1 1 A 59 59 GLU N N 59 128.665 123.175 5.490 1
1 612 . 6 1 1 A 59 59 GLU H H 59 9.315 8.660 0.655 1
1 613 . 6 1 1 A 59 59 GLU CA C 59 54.166 54.965 -0.799 1
1 614 . 6 1 1 A 59 59 GLU HA H 59 4.920 5.100 -0.180 1
1 615 . 6 1 1 A 59 59 GLU CB C 59 32.698 33.267 -0.569 1
1 619 . 6 1 1 A 59 59 GLU C C 59 175.108 175.475 -0.367 1
1 622 . 6 1 1 A 60 60 GLY N N 60 110.929 108.753 2.176 1
1 623 . 6 1 1 A 60 60 GLY H H 60 8.427 8.344 0.083 1
1 624 . 6 1 1 A 60 60 GLY CA C 60 45.608 44.776 0.832 1
1 625 . 6 1 1 A 60 60 GLY HA3 H 60 3.927 4.129 -0.202 1
1 626 . 6 1 1 A 60 60 GLY C C 60 171.379 174.104 -2.725 1
1 627 . 6 1 1 A 60 60 GLY HA2 H 60 3.531 4.004 -0.473 1
1 628 . 6 1 1 A 61 61 PRO CA C 61 64.103 63.868 0.235 1
1 629 . 6 1 1 A 61 61 PRO HA H 61 4.270 4.414 -0.144 1
1 630 . 6 1 1 A 61 61 PRO CB C 61 32.206 31.924 0.282 1
1 636 . 6 1 1 A 61 61 PRO C C 61 176.075 176.056 0.019 1
1 640 . 6 1 1 A 62 62 SER N N 62 108.474 111.728 -3.254 1
1 641 . 6 1 1 A 62 62 SER H H 62 7.099 7.584 -0.485 1
1 642 . 6 1 1 A 62 62 SER CA C 62 56.398 57.123 -0.725 1
1 643 . 6 1 1 A 62 62 SER HA H 62 4.655 4.689 -0.034 1
1 644 . 6 1 1 A 62 62 SER CB C 62 67.457 65.345 2.112 1
1 646 . 6 1 1 A 62 62 SER C C 62 172.805 172.278 0.527 1
1 648 . 6 1 1 A 63 63 LYS N N 63 122.679 124.357 -1.678 1
1 649 . 6 1 1 A 63 63 LYS H H 63 8.653 8.419 0.234 1
1 650 . 6 1 1 A 63 63 LYS CA C 63 55.822 56.464 -0.642 1
1 651 . 6 1 1 A 63 63 LYS HA H 63 4.449 4.578 -0.129 1
1 652 . 6 1 1 A 63 63 LYS CB C 63 31.384 33.419 -2.035 1
1 660 . 6 1 1 A 63 63 LYS C C 63 175.601 175.202 0.399 1
1 665 . 6 1 1 A 64 64 ALA N N 64 130.710 128.413 2.297 1
1 666 . 6 1 1 A 64 64 ALA H H 64 8.690 8.643 0.047 1
1 667 . 6 1 1 A 64 64 ALA CA C 64 51.425 50.459 0.966 1
1 668 . 6 1 1 A 64 64 ALA HA H 64 4.578 5.234 -0.656 1
1 669 . 6 1 1 A 64 64 ALA CB C 64 19.803 22.097 -2.294 1
1 673 . 6 1 1 A 64 64 ALA C C 64 176.395 176.737 -0.342 1
1 674 . 6 1 1 A 65 65 GLU N N 65 123.534 122.220 1.314 1
1 675 . 6 1 1 A 65 65 GLU H H 65 8.397 8.774 -0.377 1
1 676 . 6 1 1 A 65 65 GLU CA C 65 56.854 57.656 -0.802 1
1 677 . 6 1 1 A 65 65 GLU HA H 65 4.278 4.233 0.045 1
1 678 . 6 1 1 A 65 65 GLU CB C 65 30.346 30.571 -0.225 1
1 682 . 6 1 1 A 65 65 GLU C C 65 176.381 176.085 0.296 1
1 685 . 6 1 1 A 66 66 ILE N N 66 124.380 122.258 2.122 1
1 686 . 6 1 1 A 66 66 ILE H H 66 8.541 8.645 -0.104 1
1 687 . 6 1 1 A 66 66 ILE CA C 66 60.568 60.667 -0.099 1
1 688 . 6 1 1 A 66 66 ILE HA H 66 4.865 4.955 -0.090 1
1 689 . 6 1 1 A 66 66 ILE CB C 66 41.804 40.353 1.451 1
1 701 . 6 1 1 A 66 66 ILE C C 66 175.421 174.247 1.174 1
1 703 . 6 1 1 A 67 67 SER N N 67 122.057 123.536 -1.479 1
1 704 . 6 1 1 A 67 67 SER H H 67 9.035 9.374 -0.339 1
1 705 . 6 1 1 A 67 67 SER CA C 67 56.908 56.863 0.045 1
1 706 . 6 1 1 A 67 67 SER HA H 67 4.729 4.947 -0.218 1
1 707 . 6 1 1 A 67 67 SER CB C 67 64.980 63.611 1.369 1
1 709 . 6 1 1 A 67 67 SER C C 67 172.294 173.476 -1.182 1
1 711 . 6 1 1 A 68 68 CYS N N 68 124.699 124.374 0.325 1
1 712 . 6 1 1 A 68 68 CYS H H 68 8.732 8.544 0.188 1
1 713 . 6 1 1 A 68 68 CYS CA C 68 57.310 58.894 -1.584 1
1 714 . 6 1 1 A 68 68 CYS HA H 68 5.038 4.731 0.307 1
1 715 . 6 1 1 A 68 68 CYS CB C 68 28.380 28.418 -0.038 1
1 717 . 6 1 1 A 68 68 CYS C C 68 173.135 174.875 -1.740 1
1 719 . 6 1 1 A 69 69 ILE N N 69 128.680 123.168 5.512 1
1 720 . 6 1 1 A 69 69 ILE H H 69 8.757 8.837 -0.080 1
1 721 . 6 1 1 A 69 69 ILE CA C 69 59.153 60.482 -1.329 1
1 722 . 6 1 1 A 69 69 ILE HA H 69 4.350 4.534 -0.184 1
1 723 . 6 1 1 A 69 69 ILE CB C 69 40.750 39.899 0.851 1
1 735 . 6 1 1 A 69 69 ILE C C 69 174.363 174.261 0.102 1
1 737 . 6 1 1 A 70 70 ASP N N 70 126.290 128.990 -2.700 1
1 738 . 6 1 1 A 70 70 ASP H H 70 8.596 8.771 -0.175 1
1 739 . 6 1 1 A 70 70 ASP CA C 70 53.671 54.228 -0.557 1
1 740 . 6 1 1 A 70 70 ASP HA H 70 4.892 4.858 0.034 1
1 741 . 6 1 1 A 70 70 ASP CB C 70 41.069 41.781 -0.712 1
1 743 . 6 1 1 A 70 70 ASP C C 70 176.812 176.134 0.678 1
1 745 . 6 1 1 A 71 71 ASN N N 71 125.163 124.994 0.169 1
1 746 . 6 1 1 A 71 71 ASN H H 71 8.745 8.675 0.070 1
1 747 . 6 1 1 A 71 71 ASN CA C 71 54.626 52.675 1.951 1
1 748 . 6 1 1 A 71 71 ASN HA H 71 4.647 4.966 -0.319 1
1 749 . 6 1 1 A 71 71 ASN CB C 71 38.688 39.662 -0.974 1
1 754 . 6 1 1 A 71 71 ASN C C 71 175.657 175.930 -0.273 1
1 756 . 6 1 1 A 72 72 LYS N N 72 114.425 120.404 -5.979 1
1 757 . 6 1 1 A 72 72 LYS H H 72 9.407 8.661 0.746 1
1 758 . 6 1 1 A 72 72 LYS CA C 72 57.535 55.987 1.548 1
1 759 . 6 1 1 A 72 72 LYS HA H 72 4.028 4.327 -0.299 1
1 760 . 6 1 1 A 72 72 LYS CB C 72 28.393 32.019 -3.626 1
1 768 . 6 1 1 A 72 72 LYS C C 72 175.123 175.129 -0.006 1
1 773 . 6 1 1 A 73 73 ASP N N 73 117.581 115.484 2.097 1
1 774 . 6 1 1 A 73 73 ASP H H 73 7.881 8.018 -0.137 1
1 775 . 6 1 1 A 73 73 ASP CA C 73 52.274 55.356 -3.082 1
1 776 . 6 1 1 A 73 73 ASP HA H 73 4.769 4.337 0.432 1
1 777 . 6 1 1 A 73 73 ASP CB C 73 41.210 38.539 2.671 1
1 779 . 6 1 1 A 73 73 ASP C C 73 177.197 175.807 1.390 1
1 781 . 6 1 1 A 74 74 GLY N N 74 109.385 104.133 5.252 1
1 782 . 6 1 1 A 74 74 GLY H H 74 8.781 8.316 0.465 1
1 783 . 6 1 1 A 74 74 GLY CA C 74 45.179 45.435 -0.256 1
1 784 . 6 1 1 A 74 74 GLY HA3 H 74 3.673 4.006 -0.333 1
1 785 . 6 1 1 A 74 74 GLY C C 74 173.671 174.045 -0.374 1
1 786 . 6 1 1 A 74 74 GLY HA2 H 74 4.469 4.005 0.464 1
1 787 . 6 1 1 A 75 75 THR N N 75 110.220 109.252 0.968 1
1 788 . 6 1 1 A 75 75 THR H H 75 8.179 7.897 0.282 1
1 789 . 6 1 1 A 75 75 THR CA C 75 59.843 60.625 -0.782 1
1 790 . 6 1 1 A 75 75 THR HA H 75 5.678 4.831 0.847 1
1 791 . 6 1 1 A 75 75 THR CB C 75 73.810 71.803 2.007 1
1 797 . 6 1 1 A 75 75 THR C C 75 173.912 172.861 1.051 1
1 798 . 6 1 1 A 76 76 CYS N N 76 117.252 119.258 -2.006 1
1 799 . 6 1 1 A 76 76 CYS H H 76 9.295 8.573 0.722 1
1 800 . 6 1 1 A 76 76 CYS CA C 76 56.716 58.022 -1.306 1
1 801 . 6 1 1 A 76 76 CYS HA H 76 5.517 4.880 0.637 1
1 802 . 6 1 1 A 76 76 CYS CB C 76 31.176 30.663 0.513 1
1 804 . 6 1 1 A 76 76 CYS C C 76 174.083 173.153 0.930 1
1 806 . 6 1 1 A 77 77 THR N N 77 121.477 122.560 -1.083 1
1 807 . 6 1 1 A 77 77 THR H H 77 9.137 8.316 0.821 1
1 808 . 6 1 1 A 77 77 THR CA C 77 62.565 61.795 0.770 1
1 809 . 6 1 1 A 77 77 THR HA H 77 4.592 4.896 -0.304 1
1 810 . 6 1 1 A 77 77 THR CB C 77 70.447 70.597 -0.150 1
1 816 . 6 1 1 A 77 77 THR C C 77 173.469 173.286 0.183 1
1 817 . 6 1 1 A 78 78 VAL N N 78 131.586 126.280 5.306 1
1 818 . 6 1 1 A 78 78 VAL H H 78 9.099 8.364 0.735 1
1 819 . 6 1 1 A 78 78 VAL CA C 78 60.604 61.192 -0.588 1
1 820 . 6 1 1 A 78 78 VAL HA H 78 4.672 4.444 0.228 1
1 821 . 6 1 1 A 78 78 VAL CB C 78 32.061 33.000 -0.939 1
1 831 . 6 1 1 A 78 78 VAL C C 78 174.618 174.647 -0.029 1
1 832 . 6 1 1 A 79 79 THR N N 79 120.071 123.261 -3.190 1
1 833 . 6 1 1 A 79 79 THR H H 79 8.782 8.750 0.032 1
1 834 . 6 1 1 A 79 79 THR CA C 79 59.685 62.305 -2.620 1
1 835 . 6 1 1 A 79 79 THR HA H 79 5.424 4.868 0.556 1
1 836 . 6 1 1 A 79 79 THR CB C 79 71.374 70.423 0.951 1
1 842 . 6 1 1 A 79 79 THR C C 79 173.250 173.409 -0.159 1
1 843 . 6 1 1 A 80 80 TYR N N 80 120.212 121.599 -1.387 1
1 844 . 6 1 1 A 80 80 TYR H H 80 9.132 8.224 0.908 1
1 845 . 6 1 1 A 80 80 TYR CA C 80 55.554 55.911 -0.357 1
1 846 . 6 1 1 A 80 80 TYR HA H 80 5.686 5.397 0.289 1
1 847 . 6 1 1 A 80 80 TYR CB C 80 42.143 41.784 0.359 1
1 857 . 6 1 1 A 80 80 TYR C C 80 172.856 172.419 0.437 1
1 859 . 6 1 1 A 81 81 LEU N N 81 121.355 123.462 -2.107 1
1 860 . 6 1 1 A 81 81 LEU H H 81 7.729 8.972 -1.243 1
1 861 . 6 1 1 A 81 81 LEU CA C 81 50.912 51.190 -0.278 1
1 862 . 6 1 1 A 81 81 LEU HA H 81 4.991 4.699 0.292 1
1 863 . 6 1 1 A 81 81 LEU CB C 81 43.636 44.789 -1.153 1
1 875 . 6 1 1 A 81 81 LEU C C 81 172.982 175.130 -2.148 1
1 877 . 6 1 1 A 82 82 PRO CA C 82 61.629 62.572 -0.943 1
1 878 . 6 1 1 A 82 82 PRO HA H 82 4.587 4.804 -0.217 1
1 879 . 6 1 1 A 82 82 PRO CB C 82 32.091 32.956 -0.865 1
1 885 . 6 1 1 A 82 82 PRO C C 82 177.683 176.239 1.444 1
1 889 . 6 1 1 A 83 83 THR N N 83 112.637 109.724 2.913 1
1 890 . 6 1 1 A 83 83 THR H H 83 8.438 7.964 0.474 1
1 891 . 6 1 1 A 83 83 THR CA C 83 62.207 61.597 0.610 1
1 892 . 6 1 1 A 83 83 THR HA H 83 4.305 4.556 -0.251 1
1 893 . 6 1 1 A 83 83 THR CB C 83 69.155 70.023 -0.868 1
1 899 . 6 1 1 A 83 83 THR C C 83 173.582 175.043 -1.461 1
1 900 . 6 1 1 A 84 84 LEU N N 84 118.186 122.264 -4.078 1
1 901 . 6 1 1 A 84 84 LEU H H 84 6.839 7.610 -0.771 1
1 902 . 6 1 1 A 84 84 LEU CA C 84 51.513 51.623 -0.110 1
1 903 . 6 1 1 A 84 84 LEU HA H 84 4.976 4.921 0.055 1
1 904 . 6 1 1 A 84 84 LEU CB C 84 45.838 45.642 0.196 1
1 916 . 6 1 1 A 84 84 LEU C C 84 175.119 174.457 0.662 1
1 918 . 6 1 1 A 85 85 PRO CA C 85 62.660 63.447 -0.787 1
1 919 . 6 1 1 A 85 85 PRO HA H 85 4.347 4.923 -0.576 1
1 920 . 6 1 1 A 85 85 PRO CB C 85 32.801 31.725 1.076 1
1 926 . 6 1 1 A 85 85 PRO C C 85 174.117 176.242 -2.125 1
1 930 . 6 1 1 A 86 86 GLY N N 86 106.704 108.316 -1.612 1
1 931 . 6 1 1 A 86 86 GLY H H 86 9.065 8.049 1.016 1
1 932 . 6 1 1 A 86 86 GLY CA C 86 44.520 45.572 -1.052 1
1 933 . 6 1 1 A 86 86 GLY HA3 H 86 3.838 4.111 -0.273 1
1 934 . 6 1 1 A 86 86 GLY C C 86 171.468 172.691 -1.223 1
1 935 . 6 1 1 A 86 86 GLY HA2 H 86 4.408 4.007 0.401 1
1 936 . 6 1 1 A 87 87 ASP N N 87 120.573 119.659 0.914 1
1 937 . 6 1 1 A 87 87 ASP H H 87 8.275 8.330 -0.055 1
1 938 . 6 1 1 A 87 87 ASP CA C 87 53.500 53.888 -0.388 1
1 939 . 6 1 1 A 87 87 ASP HA H 87 5.498 4.752 0.746 1
1 940 . 6 1 1 A 87 87 ASP CB C 87 40.877 40.338 0.539 1
1 942 . 6 1 1 A 87 87 ASP C C 87 176.069 175.326 0.743 1
1 944 . 6 1 1 A 88 88 TYR N N 88 124.115 124.749 -0.634 1
1 945 . 6 1 1 A 88 88 TYR H H 88 9.510 8.427 1.083 1
1 946 . 6 1 1 A 88 88 TYR CA C 88 56.667 57.371 -0.704 1
1 947 . 6 1 1 A 88 88 TYR HA H 88 4.983 4.823 0.160 1
1 948 . 6 1 1 A 88 88 TYR CB C 88 39.633 38.934 0.699 1
1 958 . 6 1 1 A 88 88 TYR C C 88 174.533 175.252 -0.719 1
1 960 . 6 1 1 A 89 89 SER N N 89 118.331 121.137 -2.806 1
1 961 . 6 1 1 A 89 89 SER H H 89 9.200 8.981 0.219 1
1 962 . 6 1 1 A 89 89 SER CA C 89 56.737 58.283 -1.546 1
1 963 . 6 1 1 A 89 89 SER HA H 89 5.346 4.686 0.660 1
1 964 . 6 1 1 A 89 89 SER CB C 89 64.421 62.555 1.866 1
1 966 . 6 1 1 A 89 89 SER C C 89 173.462 173.759 -0.297 1
1 968 . 6 1 1 A 90 90 ILE N N 90 127.805 126.746 1.059 1
1 969 . 6 1 1 A 90 90 ILE H H 90 9.536 8.487 1.049 1
1 970 . 6 1 1 A 90 90 ILE CA C 90 61.209 61.523 -0.314 1
1 971 . 6 1 1 A 90 90 ILE HA H 90 4.505 4.416 0.089 1
1 972 . 6 1 1 A 90 90 ILE CB C 90 39.225 37.844 1.381 1
1 984 . 6 1 1 A 90 90 ILE C C 90 174.259 175.517 -1.258 1
1 986 . 6 1 1 A 91 91 LEU N N 91 129.968 127.246 2.722 1
1 987 . 6 1 1 A 91 91 LEU H H 91 9.354 8.887 0.467 1
1 988 . 6 1 1 A 91 91 LEU CA C 91 55.510 53.378 2.132 1
1 989 . 6 1 1 A 91 91 LEU HA H 91 4.774 5.370 -0.596 1
1 990 . 6 1 1 A 91 91 LEU CB C 91 42.674 44.312 -1.638 1
1 1002 . 6 1 1 A 91 91 LEU C C 91 175.517 175.696 -0.179 1
1 1004 . 6 1 1 A 92 92 VAL N N 92 124.859 124.968 -0.109 1
1 1005 . 6 1 1 A 92 92 VAL H H 92 9.431 9.050 0.381 1
1 1006 . 6 1 1 A 92 92 VAL CA C 92 61.488 60.934 0.554 1
1 1007 . 6 1 1 A 92 92 VAL HA H 92 4.626 4.817 -0.191 1
1 1008 . 6 1 1 A 92 92 VAL CB C 92 33.437 34.802 -1.365 1
1 1018 . 6 1 1 A 92 92 VAL C C 92 173.589 174.665 -1.076 1
1 1019 . 6 1 1 A 93 93 LYS N N 93 123.909 126.019 -2.110 1
1 1020 . 6 1 1 A 93 93 LYS H H 93 8.660 8.803 -0.143 1
1 1021 . 6 1 1 A 93 93 LYS CA C 93 53.953 54.204 -0.251 1
1 1022 . 6 1 1 A 93 93 LYS HA H 93 5.017 5.164 -0.147 1
1 1023 . 6 1 1 A 93 93 LYS CB C 93 36.475 35.992 0.483 1
1 1031 . 6 1 1 A 93 93 LYS C C 93 174.746 174.604 0.142 1
1 1036 . 6 1 1 A 94 94 TYR N N 94 120.499 123.434 -2.935 1
1 1037 . 6 1 1 A 94 94 TYR H H 94 8.821 9.432 -0.611 1
1 1038 . 6 1 1 A 94 94 TYR CA C 94 56.438 57.614 -1.176 1
1 1039 . 6 1 1 A 94 94 TYR HA H 94 5.161 4.928 0.233 1
1 1040 . 6 1 1 A 94 94 TYR CB C 94 41.931 41.315 0.616 1
1 1050 . 6 1 1 A 94 94 TYR C C 94 176.635 175.024 1.611 1
1 1052 . 6 1 1 A 95 95 ASN N N 95 128.155 125.723 2.432 1
1 1053 . 6 1 1 A 95 95 ASN H H 95 8.872 9.501 -0.629 1
1 1054 . 6 1 1 A 95 95 ASN CA C 95 54.360 53.883 0.477 1
1 1055 . 6 1 1 A 95 95 ASN HA H 95 4.215 4.237 -0.022 1
1 1056 . 6 1 1 A 95 95 ASN CB C 95 36.735 36.751 -0.016 1
1 1061 . 6 1 1 A 95 95 ASN C C 95 174.592 174.041 0.551 1
1 1063 . 6 1 1 A 96 96 ASP N N 96 110.440 116.968 -6.528 1
1 1064 . 6 1 1 A 96 96 ASP H H 96 9.304 8.504 0.800 1
1 1065 . 6 1 1 A 96 96 ASP CA C 96 55.920 55.076 0.844 1
1 1066 . 6 1 1 A 96 96 ASP HA H 96 4.030 4.190 -0.160 1
1 1067 . 6 1 1 A 96 96 ASP CB C 96 40.704 39.605 1.099 1
1 1069 . 6 1 1 A 96 96 ASP C C 96 174.657 174.944 -0.287 1
1 1071 . 6 1 1 A 97 97 LYS N N 97 118.806 118.419 0.387 1
1 1072 . 6 1 1 A 97 97 LYS H H 97 7.482 7.593 -0.111 1
1 1073 . 6 1 1 A 97 97 LYS CA C 97 54.378 55.494 -1.116 1
1 1074 . 6 1 1 A 97 97 LYS HA H 97 4.715 4.859 -0.144 1
1 1075 . 6 1 1 A 97 97 LYS CB C 97 35.127 35.955 -0.828 1
1 1083 . 6 1 1 A 97 97 LYS C C 97 176.499 174.521 1.978 1
1 1088 . 6 1 1 A 98 98 HIS N N 98 124.063 125.129 -1.066 1
1 1089 . 6 1 1 A 98 98 HIS H H 98 8.795 9.065 -0.270 1
1 1090 . 6 1 1 A 98 98 HIS CA C 98 58.870 55.930 2.940 1
1 1091 . 6 1 1 A 98 98 HIS HA H 98 4.496 4.821 -0.325 1
1 1092 . 6 1 1 A 98 98 HIS CB C 98 32.178 31.044 1.134 1
1 1098 . 6 1 1 A 98 98 HIS C C 98 177.720 175.729 1.991 1
1 1100 . 6 1 1 A 99 99 ILE N N 99 120.049 121.530 -1.481 1
1 1101 . 6 1 1 A 99 99 ILE H H 99 8.380 7.936 0.444 1
1 1102 . 6 1 1 A 99 99 ILE CA C 99 60.674 59.835 0.839 1
1 1103 . 6 1 1 A 99 99 ILE HA H 99 4.696 4.428 0.268 1
1 1104 . 6 1 1 A 99 99 ILE CB C 99 35.539 37.886 -2.347 1
1 1116 . 6 1 1 A 99 99 ILE C C 99 173.419 174.937 -1.518 1
1 1118 . 6 1 1 A 100 100 PRO CA C 100 65.343 63.790 1.553 1
1 1119 . 6 1 1 A 100 100 PRO HA H 100 4.255 4.247 0.008 1
1 1120 . 6 1 1 A 100 100 PRO CB C 100 31.128 31.291 -0.163 1
1 1126 . 6 1 1 A 100 100 PRO C C 100 176.734 177.467 -0.733 1
1 1130 . 6 1 1 A 101 101 GLY N N 101 113.906 113.240 0.666 1
1 1131 . 6 1 1 A 101 101 GLY H H 101 8.167 8.795 -0.628 1
1 1132 . 6 1 1 A 101 101 GLY CA C 101 44.668 44.923 -0.255 1
1 1133 . 6 1 1 A 101 101 GLY HA3 H 101 3.120 3.794 -0.674 1
1 1134 . 6 1 1 A 101 101 GLY C C 101 171.985 173.800 -1.815 1
1 1135 . 6 1 1 A 101 101 GLY HA2 H 101 4.140 3.739 0.401 1
1 1136 . 6 1 1 A 102 102 SER N N 102 112.418 117.095 -4.677 1
1 1137 . 6 1 1 A 102 102 SER H H 102 7.641 7.270 0.371 1
1 1138 . 6 1 1 A 102 102 SER CA C 102 54.770 55.764 -0.994 1
1 1139 . 6 1 1 A 102 102 SER HA H 102 4.107 4.308 -0.201 1
1 1140 . 6 1 1 A 102 102 SER CB C 102 62.454 64.105 -1.651 1
1 1142 . 6 1 1 A 102 102 SER C C 102 174.682 172.186 2.496 1
1 1144 . 6 1 1 A 103 103 PRO CA C 103 62.301 62.481 -0.180 1
1 1145 . 6 1 1 A 103 103 PRO HA H 103 5.363 4.514 0.849 1
1 1146 . 6 1 1 A 103 103 PRO CB C 103 33.964 32.495 1.469 1
1 1152 . 6 1 1 A 103 103 PRO C C 103 176.438 176.727 -0.289 1
1 1156 . 6 1 1 A 104 104 PHE N N 104 126.067 121.303 4.764 1
1 1157 . 6 1 1 A 104 104 PHE H H 104 9.449 8.340 1.109 1
1 1158 . 6 1 1 A 104 104 PHE CA C 104 57.102 58.085 -0.983 1
1 1159 . 6 1 1 A 104 104 PHE HA H 104 4.621 5.176 -0.555 1
1 1160 . 6 1 1 A 104 104 PHE CB C 104 40.656 39.952 0.704 1
1 1170 . 6 1 1 A 104 104 PHE C C 104 176.313 176.435 -0.122 1
1 1172 . 6 1 1 A 105 105 THR N N 105 118.402 116.098 2.304 1
1 1173 . 6 1 1 A 105 105 THR H H 105 8.842 8.778 0.064 1
1 1174 . 6 1 1 A 105 105 THR CA C 105 62.018 61.356 0.662 1
1 1175 . 6 1 1 A 105 105 THR HA H 105 5.153 5.033 0.120 1
1 1176 . 6 1 1 A 105 105 THR CB C 105 70.095 70.430 -0.335 1
1 1182 . 6 1 1 A 105 105 THR C C 105 172.525 173.236 -0.711 1
1 1183 . 6 1 1 A 106 106 ALA N N 106 131.132 129.865 1.267 1
1 1184 . 6 1 1 A 106 106 ALA H H 106 9.192 8.429 0.763 1
1 1185 . 6 1 1 A 106 106 ALA CA C 106 50.187 50.824 -0.637 1
1 1186 . 6 1 1 A 106 106 ALA HA H 106 4.435 5.051 -0.616 1
1 1187 . 6 1 1 A 106 106 ALA CB C 106 21.021 20.223 0.798 1
1 1191 . 6 1 1 A 106 106 ALA C C 106 176.136 176.480 -0.344 1
1 1192 . 6 1 1 A 107 107 LYS N N 107 122.751 125.131 -2.380 1
1 1193 . 6 1 1 A 107 107 LYS H H 107 7.746 8.615 -0.869 1
1 1194 . 6 1 1 A 107 107 LYS CA C 107 55.652 55.770 -0.118 1
1 1195 . 6 1 1 A 107 107 LYS HA H 107 4.797 4.592 0.205 1
1 1196 . 6 1 1 A 107 107 LYS CB C 107 32.606 31.728 0.878 1
1 1204 . 6 1 1 A 107 107 LYS C C 107 174.648 174.773 -0.125 1
1 1209 . 6 1 1 A 108 108 ILE N N 108 127.629 126.973 0.656 1
1 1210 . 6 1 1 A 108 108 ILE H H 108 9.024 8.431 0.593 1
1 1211 . 6 1 1 A 108 108 ILE CA C 108 56.801 60.850 -4.049 1
1 1212 . 6 1 1 A 108 108 ILE HA H 108 4.688 5.050 -0.362 1
1 1213 . 6 1 1 A 108 108 ILE CB C 108 35.101 38.884 -3.783 1
1 1225 . 6 1 1 A 108 108 ILE C C 108 178.159 175.814 2.345 1
1 1227 . 6 1 1 A 109 109 THR N N 109 121.563 117.566 3.997 1
1 1228 . 6 1 1 A 109 109 THR H H 109 8.861 8.742 0.119 1
1 1229 . 6 1 1 A 109 109 THR CA C 109 60.745 60.054 0.691 1
1 1230 . 6 1 1 A 109 109 THR HA H 109 4.778 5.096 -0.318 1
1 1231 . 6 1 1 A 109 109 THR CB C 109 71.067 70.869 0.198 1
1 1237 . 6 1 1 A 109 109 THR C C 109 173.421 172.987 0.434 1
1 1238 . 6 1 1 A 110 110 ASP N N 110 119.526 120.144 -0.618 1
1 1239 . 6 1 1 A 110 110 ASP H H 110 8.631 8.895 -0.264 1
1 1240 . 6 1 1 A 110 110 ASP CA C 110 53.971 52.251 1.720 1
1 1241 . 6 1 1 A 110 110 ASP HA H 110 4.729 5.456 -0.727 1
1 1242 . 6 1 1 A 110 110 ASP CB C 110 42.087 42.916 -0.829 1
1 1244 . 6 1 1 A 110 110 ASP C C 110 176.124 174.045 2.079 1
1 1246 . 6 1 1 A 111 111 ASP N N 111 122.287 124.569 -2.282 1
1 1247 . 6 1 1 A 111 111 ASP H H 111 8.638 8.935 -0.297 1
1 1248 . 6 1 1 A 111 111 ASP CA C 111 54.042 53.110 0.932 1
1 1249 . 6 1 1 A 111 111 ASP HA H 111 4.644 4.910 -0.266 1
1 1250 . 6 1 1 A 111 111 ASP CB C 111 41.218 41.064 0.154 1
1 1252 . 6 1 1 A 111 111 ASP C C 111 176.668 176.004 0.664 1
1 1254 . 6 1 1 A 112 112 SER N N 112 117.157 116.924 0.233 1
1 1255 . 6 1 1 A 112 112 SER H H 112 8.416 7.675 0.741 1
1 1256 . 6 1 1 A 112 112 SER CA C 112 59.277 57.704 1.573 1
1 1257 . 6 1 1 A 112 112 SER HA H 112 4.348 4.572 -0.224 1
1 1258 . 6 1 1 A 112 112 SER CB C 112 63.943 61.021 2.922 1
1 1260 . 6 1 1 A 112 112 SER C C 112 174.721 174.261 0.460 1
1 1262 . 6 1 1 A 113 113 ARG N N 113 122.178 127.224 -5.046 1
1 1263 . 6 1 1 A 113 113 ARG H H 113 8.238 8.753 -0.515 1
1 1264 . 6 1 1 A 113 113 ARG CA C 113 56.195 58.545 -2.350 1
1 1265 . 6 1 1 A 113 113 ARG HA H 113 4.347 4.233 0.114 1
1 1266 . 6 1 1 A 113 113 ARG CB C 113 30.470 31.160 -0.690 1
1 1271 . 6 1 1 A 113 113 ARG C C 113 176.207 176.057 0.150 1
1 1275 . 6 1 1 A 114 114 ARG N N 114 122.696 117.544 5.152 1
1 1276 . 6 1 1 A 114 114 ARG H H 114 8.338 8.118 0.220 1
1 1277 . 6 1 1 A 114 114 ARG CA C 114 56.164 54.497 1.667 1
1 1278 . 6 1 1 A 114 114 ARG HA H 114 4.390 4.585 -0.195 1
1 1279 . 6 1 1 A 114 114 ARG CB C 114 30.679 31.288 -0.609 1
1 1285 . 6 1 1 A 114 114 ARG C C 114 175.468 175.372 0.096 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 44.699 45.669 -0.970 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.124 4.278 -0.154 1
1 3 . 7 1 1 A 7 7 GLY HA2 H 7 4.124 4.278 -0.154 1
1 4 . 7 1 1 A 8 8 PRO CA C 8 63.321 62.551 0.770 1
1 5 . 7 1 1 A 8 8 PRO HA H 8 4.418 4.631 -0.213 1
1 6 . 7 1 1 A 8 8 PRO CB C 8 32.104 33.401 -1.297 1
1 12 . 7 1 1 A 8 8 PRO C C 8 177.159 176.083 1.076 1
1 16 . 7 1 1 A 9 9 GLU N N 9 120.837 116.842 3.995 1
1 17 . 7 1 1 A 9 9 GLU H H 9 8.612 8.745 -0.133 1
1 18 . 7 1 1 A 9 9 GLU CA C 9 56.642 55.014 1.628 1
1 19 . 7 1 1 A 9 9 GLU HA H 9 4.282 5.094 -0.812 1
1 20 . 7 1 1 A 9 9 GLU CB C 9 30.181 32.529 -2.348 1
1 24 . 7 1 1 A 9 9 GLU C C 9 176.387 174.612 1.775 1
1 27 . 7 1 1 A 10 10 SER N N 10 117.776 118.294 -0.518 1
1 28 . 7 1 1 A 10 10 SER H H 10 8.264 8.770 -0.506 1
1 29 . 7 1 1 A 10 10 SER CA C 10 56.382 55.669 0.713 1
1 30 . 7 1 1 A 10 10 SER HA H 10 4.763 4.955 -0.192 1
1 31 . 7 1 1 A 10 10 SER CB C 10 63.575 65.796 -2.221 1
1 33 . 7 1 1 A 10 10 SER C C 10 172.958 171.720 1.238 1
1 35 . 7 1 1 A 11 11 PRO CA C 11 63.404 62.781 0.623 1
1 36 . 7 1 1 A 11 11 PRO HA H 11 4.432 4.736 -0.304 1
1 37 . 7 1 1 A 11 11 PRO CB C 11 31.958 31.427 0.531 1
1 43 . 7 1 1 A 11 11 PRO C C 11 176.922 175.946 0.976 1
1 47 . 7 1 1 A 12 12 LEU N N 12 121.245 124.694 -3.449 1
1 48 . 7 1 1 A 12 12 LEU H H 12 8.172 8.612 -0.440 1
1 49 . 7 1 1 A 12 12 LEU CA C 12 55.521 54.227 1.294 1
1 50 . 7 1 1 A 12 12 LEU HA H 12 4.236 4.647 -0.411 1
1 51 . 7 1 1 A 12 12 LEU CB C 12 42.138 44.490 -2.352 1
1 63 . 7 1 1 A 12 12 LEU C C 12 177.236 175.278 1.958 1
1 65 . 7 1 1 A 13 13 GLN N N 13 120.086 123.551 -3.465 1
1 66 . 7 1 1 A 13 13 GLN H H 13 8.098 8.656 -0.558 1
1 67 . 7 1 1 A 13 13 GLN CA C 13 55.785 54.313 1.472 1
1 68 . 7 1 1 A 13 13 GLN HA H 13 4.220 4.953 -0.733 1
1 69 . 7 1 1 A 13 13 GLN CB C 13 29.628 30.679 -1.051 1
1 76 . 7 1 1 A 13 13 GLN C C 13 175.243 174.755 0.488 1
1 79 . 7 1 1 A 14 14 PHE N N 14 120.461 123.281 -2.820 1
1 80 . 7 1 1 A 14 14 PHE H H 14 8.056 9.108 -1.052 1
1 81 . 7 1 1 A 14 14 PHE CA C 14 57.739 56.088 1.651 1
1 82 . 7 1 1 A 14 14 PHE HA H 14 4.545 4.857 -0.312 1
1 83 . 7 1 1 A 14 14 PHE CB C 14 39.825 39.977 -0.152 1
1 95 . 7 1 1 A 14 14 PHE C C 14 175.022 175.036 -0.014 1
1 97 . 7 1 1 A 15 15 TYR N N 15 121.213 124.735 -3.522 1
1 98 . 7 1 1 A 15 15 TYR H H 15 8.004 8.636 -0.632 1
1 99 . 7 1 1 A 15 15 TYR CA C 15 57.756 58.312 -0.556 1
1 100 . 7 1 1 A 15 15 TYR HA H 15 4.506 4.592 -0.086 1
1 101 . 7 1 1 A 15 15 TYR CB C 15 39.012 38.788 0.224 1
1 111 . 7 1 1 A 15 15 TYR C C 15 175.174 175.732 -0.558 1
1 113 . 7 1 1 A 16 16 VAL N N 16 121.693 124.586 -2.893 1
1 114 . 7 1 1 A 16 16 VAL H H 16 7.900 8.618 -0.718 1
1 115 . 7 1 1 A 16 16 VAL CA C 16 62.248 63.527 -1.279 1
1 116 . 7 1 1 A 16 16 VAL HA H 16 3.932 4.122 -0.190 1
1 117 . 7 1 1 A 16 16 VAL CB C 16 33.023 32.212 0.811 1
1 127 . 7 1 1 A 16 16 VAL C C 16 175.016 175.980 -0.964 1
1 128 . 7 1 1 A 17 17 ASN N N 17 121.488 124.199 -2.711 1
1 129 . 7 1 1 A 17 17 ASN H H 17 8.198 8.998 -0.800 1
1 130 . 7 1 1 A 17 17 ASN CA C 17 52.948 52.299 0.649 1
1 131 . 7 1 1 A 17 17 ASN HA H 17 4.630 5.667 -1.037 1
1 132 . 7 1 1 A 17 17 ASN CB C 17 39.289 41.032 -1.743 1
1 137 . 7 1 1 A 17 17 ASN C C 17 174.167 173.640 0.527 1
1 139 . 7 1 1 A 18 18 TYR N N 18 122.069 118.662 3.407 1
1 140 . 7 1 1 A 18 18 TYR H H 18 8.117 8.783 -0.666 1
1 141 . 7 1 1 A 18 18 TYR CA C 18 55.970 55.575 0.395 1
1 142 . 7 1 1 A 18 18 TYR HA H 18 4.771 5.216 -0.445 1
1 143 . 7 1 1 A 18 18 TYR CB C 18 38.260 40.116 -1.856 1
1 153 . 7 1 1 A 18 18 TYR C C 18 173.978 172.823 1.155 1
1 155 . 7 1 1 A 19 19 PRO CA C 19 63.378 62.273 1.105 1
1 156 . 7 1 1 A 19 19 PRO HA H 19 4.414 4.503 -0.089 1
1 157 . 7 1 1 A 19 19 PRO CB C 19 32.018 32.684 -0.666 1
1 163 . 7 1 1 A 19 19 PRO C C 19 176.659 176.163 0.496 1
1 167 . 7 1 1 A 20 20 ASN N N 20 118.582 120.441 -1.859 1
1 168 . 7 1 1 A 20 20 ASN H H 20 8.508 8.567 -0.059 1
1 169 . 7 1 1 A 20 20 ASN CA C 20 53.334 52.877 0.457 1
1 170 . 7 1 1 A 20 20 ASN HA H 20 4.756 5.065 -0.309 1
1 171 . 7 1 1 A 20 20 ASN CB C 20 38.964 39.251 -0.287 1
1 176 . 7 1 1 A 20 20 ASN C C 20 175.301 174.826 0.475 1
1 178 . 7 1 1 A 21 21 SER N N 21 115.989 116.964 -0.975 1
1 179 . 7 1 1 A 21 21 SER H H 21 8.360 8.838 -0.478 1
1 180 . 7 1 1 A 21 21 SER CA C 21 58.877 57.534 1.343 1
1 181 . 7 1 1 A 21 21 SER HA H 21 4.481 5.113 -0.632 1
1 182 . 7 1 1 A 21 21 SER CB C 21 63.988 65.999 -2.011 1
1 184 . 7 1 1 A 21 21 SER C C 21 175.006 172.943 2.063 1
1 186 . 7 1 1 A 22 22 GLY N N 22 110.974 108.378 2.596 1
1 187 . 7 1 1 A 22 22 GLY H H 22 8.523 8.442 0.081 1
1 188 . 7 1 1 A 22 22 GLY CA C 22 45.429 45.528 -0.099 1
1 189 . 7 1 1 A 22 22 GLY HA3 H 22 4.074 4.178 -0.104 1
1 190 . 7 1 1 A 22 22 GLY C C 22 173.860 171.545 2.315 1
1 191 . 7 1 1 A 22 22 GLY HA2 H 22 4.074 4.171 -0.097 1
1 192 . 7 1 1 A 23 23 SER N N 23 115.179 116.165 -0.986 1
1 193 . 7 1 1 A 23 23 SER H H 23 8.190 8.641 -0.451 1
1 194 . 7 1 1 A 23 23 SER CA C 23 58.233 57.173 1.060 1
1 195 . 7 1 1 A 23 23 SER HA H 23 4.511 5.095 -0.584 1
1 196 . 7 1 1 A 23 23 SER CB C 23 64.511 65.827 -1.316 1
1 198 . 7 1 1 A 23 23 SER C C 23 173.263 172.909 0.354 1
1 200 . 7 1 1 A 24 24 VAL N N 24 122.289 123.004 -0.715 1
1 201 . 7 1 1 A 24 24 VAL H H 24 7.889 8.786 -0.897 1
1 202 . 7 1 1 A 24 24 VAL CA C 24 61.754 61.173 0.581 1
1 203 . 7 1 1 A 24 24 VAL HA H 24 4.567 4.687 -0.120 1
1 204 . 7 1 1 A 24 24 VAL CB C 24 33.612 33.119 0.493 1
1 214 . 7 1 1 A 24 24 VAL C C 24 174.799 175.120 -0.321 1
1 215 . 7 1 1 A 25 25 SER N N 25 118.995 122.748 -3.753 1
1 216 . 7 1 1 A 25 25 SER H H 25 8.244 8.921 -0.677 1
1 217 . 7 1 1 A 25 25 SER CA C 25 57.102 57.717 -0.615 1
1 218 . 7 1 1 A 25 25 SER HA H 25 5.039 5.551 -0.512 1
1 219 . 7 1 1 A 25 25 SER CB C 25 66.338 66.670 -0.332 1
1 221 . 7 1 1 A 25 25 SER C C 25 171.718 173.039 -1.321 1
1 223 . 7 1 1 A 26 26 ALA N N 26 121.537 124.111 -2.574 1
1 224 . 7 1 1 A 26 26 ALA H H 26 8.503 8.818 -0.315 1
1 225 . 7 1 1 A 26 26 ALA CA C 26 50.695 51.408 -0.713 1
1 226 . 7 1 1 A 26 26 ALA HA H 26 5.637 5.178 0.459 1
1 227 . 7 1 1 A 26 26 ALA CB C 26 23.364 22.409 0.955 1
1 231 . 7 1 1 A 26 26 ALA C C 26 175.355 175.248 0.107 1
1 232 . 7 1 1 A 27 27 TYR N N 27 116.588 118.723 -2.135 1
1 233 . 7 1 1 A 27 27 TYR H H 27 8.885 8.484 0.401 1
1 234 . 7 1 1 A 27 27 TYR CA C 27 57.013 55.713 1.300 1
1 235 . 7 1 1 A 27 27 TYR HA H 27 4.742 5.248 -0.506 1
1 236 . 7 1 1 A 27 27 TYR CB C 27 40.325 41.761 -1.436 1
1 246 . 7 1 1 A 27 27 TYR C C 27 172.990 174.038 -1.048 1
1 248 . 7 1 1 A 28 28 GLY N N 28 108.423 106.661 1.762 1
1 249 . 7 1 1 A 28 28 GLY H H 28 8.475 8.422 0.053 1
1 250 . 7 1 1 A 28 28 GLY CA C 28 44.439 45.195 -0.756 1
1 251 . 7 1 1 A 28 28 GLY HA3 H 28 4.141 4.286 -0.145 1
1 252 . 7 1 1 A 28 28 GLY C C 28 173.419 174.008 -0.589 1
1 253 . 7 1 1 A 28 28 GLY HA2 H 28 5.092 4.231 0.861 1
1 254 . 7 1 1 A 29 29 PRO CA C 29 65.537 63.993 1.544 1
1 255 . 7 1 1 A 29 29 PRO HA H 29 4.298 4.157 0.141 1
1 256 . 7 1 1 A 29 29 PRO CB C 29 31.509 31.721 -0.212 1
1 262 . 7 1 1 A 29 29 PRO C C 29 178.493 177.305 1.188 1
1 266 . 7 1 1 A 30 30 GLY N N 30 102.459 106.778 -4.319 1
1 267 . 7 1 1 A 30 30 GLY H H 30 8.655 8.373 0.282 1
1 268 . 7 1 1 A 30 30 GLY CA C 30 46.245 45.966 0.279 1
1 269 . 7 1 1 A 30 30 GLY HA3 H 30 3.417 4.071 -0.654 1
1 270 . 7 1 1 A 30 30 GLY C C 30 172.945 174.648 -1.703 1
1 271 . 7 1 1 A 30 30 GLY HA2 H 30 4.316 3.971 0.345 1
1 272 . 7 1 1 A 31 31 LEU N N 31 116.436 120.990 -4.554 1
1 273 . 7 1 1 A 31 31 LEU H H 31 7.049 7.449 -0.400 1
1 274 . 7 1 1 A 31 31 LEU CA C 31 55.368 56.660 -1.292 1
1 275 . 7 1 1 A 31 31 LEU HA H 31 3.784 4.131 -0.347 1
1 276 . 7 1 1 A 31 31 LEU CB C 31 42.148 42.103 0.045 1
1 288 . 7 1 1 A 31 31 LEU C C 31 175.321 178.528 -3.207 1
1 290 . 7 1 1 A 32 32 VAL N N 32 112.078 117.214 -5.136 1
1 291 . 7 1 1 A 32 32 VAL H H 32 7.739 6.941 0.798 1
1 292 . 7 1 1 A 32 32 VAL CA C 32 62.956 64.577 -1.621 1
1 293 . 7 1 1 A 32 32 VAL HA H 32 4.574 3.733 0.841 1
1 294 . 7 1 1 A 32 32 VAL CB C 32 35.415 31.958 3.457 1
1 304 . 7 1 1 A 32 32 VAL C C 32 176.810 175.847 0.963 1
1 305 . 7 1 1 A 33 33 TYR N N 33 121.116 115.737 5.379 1
1 306 . 7 1 1 A 33 33 TYR H H 33 8.638 7.376 1.262 1
1 307 . 7 1 1 A 33 33 TYR CA C 33 56.523 55.901 0.622 1
1 308 . 7 1 1 A 33 33 TYR HA H 33 5.639 4.977 0.662 1
1 309 . 7 1 1 A 33 33 TYR CB C 33 42.165 40.808 1.357 1
1 319 . 7 1 1 A 33 33 TYR C C 33 172.858 173.819 -0.961 1
1 321 . 7 1 1 A 34 34 GLY N N 34 107.313 106.762 0.551 1
1 322 . 7 1 1 A 34 34 GLY H H 34 7.637 8.571 -0.934 1
1 323 . 7 1 1 A 34 34 GLY CA C 34 44.721 45.561 -0.840 1
1 324 . 7 1 1 A 34 34 GLY HA3 H 34 3.793 4.466 -0.673 1
1 325 . 7 1 1 A 34 34 GLY C C 34 170.727 171.760 -1.033 1
1 326 . 7 1 1 A 34 34 GLY HA2 H 34 3.873 4.412 -0.539 1
1 327 . 7 1 1 A 35 35 VAL N N 35 120.853 119.931 0.922 1
1 328 . 7 1 1 A 35 35 VAL H H 35 8.731 8.409 0.322 1
1 329 . 7 1 1 A 35 35 VAL CA C 35 60.627 60.363 0.264 1
1 330 . 7 1 1 A 35 35 VAL HA H 35 4.589 4.793 -0.204 1
1 331 . 7 1 1 A 35 35 VAL CB C 35 35.374 35.293 0.081 1
1 341 . 7 1 1 A 35 35 VAL C C 35 174.813 175.015 -0.202 1
1 342 . 7 1 1 A 36 36 ALA N N 36 127.708 130.368 -2.660 1
1 343 . 7 1 1 A 36 36 ALA H H 36 8.482 8.203 0.279 1
1 344 . 7 1 1 A 36 36 ALA CA C 36 53.332 53.310 0.022 1
1 345 . 7 1 1 A 36 36 ALA HA H 36 3.535 4.091 -0.556 1
1 346 . 7 1 1 A 36 36 ALA CB C 36 17.653 18.593 -0.940 1
1 350 . 7 1 1 A 36 36 ALA C C 36 176.968 178.074 -1.106 1
1 351 . 7 1 1 A 37 37 ASN N N 37 111.234 116.481 -5.247 1
1 352 . 7 1 1 A 37 37 ASN H H 37 9.147 9.001 0.146 1
1 353 . 7 1 1 A 37 37 ASN CA C 37 55.728 54.256 1.472 1
1 354 . 7 1 1 A 37 37 ASN HA H 37 3.962 4.357 -0.395 1
1 355 . 7 1 1 A 37 37 ASN CB C 37 37.147 37.364 -0.217 1
1 360 . 7 1 1 A 37 37 ASN C C 37 173.119 173.699 -0.580 1
1 362 . 7 1 1 A 38 38 LYS N N 38 119.100 118.133 0.967 1
1 363 . 7 1 1 A 38 38 LYS H H 38 7.972 7.443 0.529 1
1 364 . 7 1 1 A 38 38 LYS CA C 38 54.306 54.772 -0.466 1
1 365 . 7 1 1 A 38 38 LYS HA H 38 4.606 4.799 -0.193 1
1 366 . 7 1 1 A 38 38 LYS CB C 38 34.799 35.591 -0.792 1
1 374 . 7 1 1 A 38 38 LYS C C 38 175.533 175.457 0.076 1
1 379 . 7 1 1 A 39 39 THR N N 39 114.730 116.393 -1.663 1
1 380 . 7 1 1 A 39 39 THR H H 39 8.158 8.611 -0.453 1
1 381 . 7 1 1 A 39 39 THR CA C 39 63.302 62.178 1.124 1
1 382 . 7 1 1 A 39 39 THR HA H 39 4.138 4.159 -0.021 1
1 383 . 7 1 1 A 39 39 THR CB C 39 69.652 69.095 0.557 1
1 389 . 7 1 1 A 39 39 THR C C 39 174.281 174.257 0.024 1
1 390 . 7 1 1 A 40 40 ALA N N 40 129.891 126.631 3.260 1
1 391 . 7 1 1 A 40 40 ALA H H 40 8.750 8.011 0.739 1
1 392 . 7 1 1 A 40 40 ALA CA C 40 50.399 50.704 -0.305 1
1 393 . 7 1 1 A 40 40 ALA HA H 40 4.702 4.961 -0.259 1
1 394 . 7 1 1 A 40 40 ALA CB C 40 20.495 20.856 -0.361 1
1 398 . 7 1 1 A 40 40 ALA C C 40 176.039 175.860 0.179 1
1 399 . 7 1 1 A 41 41 THR N N 41 112.902 118.460 -5.558 1
1 400 . 7 1 1 A 41 41 THR H H 41 8.536 8.767 -0.231 1
1 401 . 7 1 1 A 41 41 THR CA C 41 59.688 61.485 -1.797 1
1 402 . 7 1 1 A 41 41 THR HA H 41 5.779 5.443 0.336 1
1 403 . 7 1 1 A 41 41 THR CB C 41 72.348 71.187 1.161 1
1 409 . 7 1 1 A 41 41 THR C C 41 173.286 174.054 -0.768 1
1 410 . 7 1 1 A 42 42 PHE N N 42 119.525 121.738 -2.213 1
1 411 . 7 1 1 A 42 42 PHE H H 42 8.825 8.422 0.403 1
1 412 . 7 1 1 A 42 42 PHE CA C 42 57.031 55.163 1.868 1
1 413 . 7 1 1 A 42 42 PHE HA H 42 5.013 5.686 -0.673 1
1 414 . 7 1 1 A 42 42 PHE CB C 42 40.155 42.225 -2.070 1
1 426 . 7 1 1 A 42 42 PHE C C 42 171.282 173.185 -1.903 1
1 428 . 7 1 1 A 43 43 THR N N 43 117.427 115.522 1.905 1
1 429 . 7 1 1 A 43 43 THR H H 43 9.210 8.311 0.899 1
1 430 . 7 1 1 A 43 43 THR CA C 43 62.250 61.249 1.001 1
1 431 . 7 1 1 A 43 43 THR HA H 43 4.987 4.738 0.249 1
1 432 . 7 1 1 A 43 43 THR CB C 43 71.510 70.320 1.190 1
1 438 . 7 1 1 A 43 43 THR C C 43 173.061 173.418 -0.357 1
1 439 . 7 1 1 A 44 44 ILE N N 44 123.638 128.053 -4.415 1
1 440 . 7 1 1 A 44 44 ILE H H 44 8.859 8.625 0.234 1
1 441 . 7 1 1 A 44 44 ILE CA C 44 59.843 60.050 -0.207 1
1 442 . 7 1 1 A 44 44 ILE HA H 44 4.824 4.554 0.270 1
1 443 . 7 1 1 A 44 44 ILE CB C 44 40.866 38.749 2.117 1
1 455 . 7 1 1 A 44 44 ILE C C 44 174.707 175.677 -0.970 1
1 457 . 7 1 1 A 45 45 VAL N N 45 128.904 128.237 0.667 1
1 458 . 7 1 1 A 45 45 VAL H H 45 9.299 8.549 0.750 1
1 459 . 7 1 1 A 45 45 VAL CA C 45 62.119 63.496 -1.377 1
1 460 . 7 1 1 A 45 45 VAL HA H 45 4.492 4.085 0.407 1
1 461 . 7 1 1 A 45 45 VAL CB C 45 32.683 31.907 0.776 1
1 471 . 7 1 1 A 45 45 VAL C C 45 175.606 175.966 -0.360 1
1 472 . 7 1 1 A 46 46 THR N N 46 117.412 120.470 -3.058 1
1 473 . 7 1 1 A 46 46 THR H H 46 8.434 8.579 -0.145 1
1 474 . 7 1 1 A 46 46 THR CA C 46 60.650 61.483 -0.833 1
1 475 . 7 1 1 A 46 46 THR HA H 46 4.505 4.773 -0.268 1
1 476 . 7 1 1 A 46 46 THR CB C 46 69.432 71.590 -2.158 1
1 482 . 7 1 1 A 46 46 THR C C 46 174.882 172.286 2.596 1
1 483 . 7 1 1 A 47 47 GLU N N 47 122.657 127.107 -4.450 1
1 484 . 7 1 1 A 47 47 GLU H H 47 8.052 8.522 -0.470 1
1 485 . 7 1 1 A 47 47 GLU CA C 47 57.419 54.771 2.648 1
1 486 . 7 1 1 A 47 47 GLU HA H 47 4.231 4.958 -0.727 1
1 487 . 7 1 1 A 47 47 GLU CB C 47 30.281 32.649 -2.368 1
1 491 . 7 1 1 A 47 47 GLU C C 47 175.887 175.641 0.246 1
1 494 . 7 1 1 A 48 48 ASP N N 48 120.269 120.490 -0.221 1
1 495 . 7 1 1 A 48 48 ASP H H 48 8.536 9.178 -0.642 1
1 496 . 7 1 1 A 48 48 ASP CA C 48 54.396 54.931 -0.535 1
1 497 . 7 1 1 A 48 48 ASP HA H 48 4.638 4.356 0.282 1
1 498 . 7 1 1 A 48 48 ASP CB C 48 40.979 39.474 1.505 1
1 500 . 7 1 1 A 48 48 ASP C C 48 175.709 176.442 -0.733 1
1 502 . 7 1 1 A 49 49 ALA N N 49 122.506 120.311 2.195 1
1 503 . 7 1 1 A 49 49 ALA H H 49 8.109 8.306 -0.197 1
1 504 . 7 1 1 A 49 49 ALA CA C 49 52.774 53.066 -0.292 1
1 505 . 7 1 1 A 49 49 ALA HA H 49 4.195 4.383 -0.188 1
1 506 . 7 1 1 A 49 49 ALA CB C 49 19.343 20.687 -1.344 1
1 510 . 7 1 1 A 49 49 ALA C C 49 178.316 178.188 0.128 1
1 511 . 7 1 1 A 50 50 GLY N N 50 107.563 104.224 3.339 1
1 512 . 7 1 1 A 50 50 GLY H H 50 8.269 7.837 0.432 1
1 513 . 7 1 1 A 50 50 GLY CA C 50 45.288 44.515 0.773 1
1 514 . 7 1 1 A 50 50 GLY HA3 H 50 3.993 4.129 -0.136 1
1 515 . 7 1 1 A 50 50 GLY C C 50 174.421 172.994 1.427 1
1 516 . 7 1 1 A 50 50 GLY HA2 H 50 3.993 4.097 -0.104 1
1 517 . 7 1 1 A 51 51 GLU N N 51 121.358 117.603 3.755 1
1 518 . 7 1 1 A 51 51 GLU H H 51 8.519 8.331 0.188 1
1 519 . 7 1 1 A 51 51 GLU CA C 51 56.890 55.681 1.209 1
1 520 . 7 1 1 A 51 51 GLU HA H 51 4.309 4.937 -0.628 1
1 521 . 7 1 1 A 51 51 GLU CB C 51 30.204 29.765 0.439 1
1 525 . 7 1 1 A 51 51 GLU C C 51 177.003 176.143 0.860 1
1 528 . 7 1 1 A 52 52 GLY N N 52 109.575 110.371 -0.796 1
1 529 . 7 1 1 A 52 52 GLY H H 52 8.349 8.657 -0.308 1
1 530 . 7 1 1 A 52 52 GLY CA C 52 45.571 46.735 -1.164 1
1 531 . 7 1 1 A 52 52 GLY HA3 H 52 3.895 3.824 0.071 1
1 532 . 7 1 1 A 52 52 GLY C C 52 173.666 174.677 -1.011 1
1 533 . 7 1 1 A 52 52 GLY HA2 H 52 3.810 3.824 -0.014 1
1 534 . 7 1 1 A 53 53 GLY N N 53 106.657 107.534 -0.877 1
1 535 . 7 1 1 A 53 53 GLY H H 53 7.893 7.907 -0.014 1
1 536 . 7 1 1 A 53 53 GLY CA C 53 45.199 46.106 -0.907 1
1 537 . 7 1 1 A 53 53 GLY HA3 H 53 3.613 4.111 -0.498 1
1 538 . 7 1 1 A 53 53 GLY C C 53 173.414 173.055 0.359 1
1 539 . 7 1 1 A 53 53 GLY HA2 H 53 4.036 4.087 -0.051 1
1 540 . 7 1 1 A 54 54 LEU N N 54 124.121 126.049 -1.928 1
1 541 . 7 1 1 A 54 54 LEU H H 54 8.241 8.873 -0.632 1
1 542 . 7 1 1 A 54 54 LEU CA C 54 54.528 54.180 0.348 1
1 543 . 7 1 1 A 54 54 LEU HA H 54 5.056 4.897 0.159 1
1 544 . 7 1 1 A 54 54 LEU CB C 54 44.325 43.377 0.948 1
1 556 . 7 1 1 A 54 54 LEU C C 54 176.080 174.244 1.836 1
1 558 . 7 1 1 A 55 55 ASP N N 55 126.024 127.369 -1.345 1
1 559 . 7 1 1 A 55 55 ASP H H 55 8.981 8.656 0.325 1
1 560 . 7 1 1 A 55 55 ASP CA C 55 54.095 53.059 1.036 1
1 561 . 7 1 1 A 55 55 ASP HA H 55 4.879 5.356 -0.477 1
1 562 . 7 1 1 A 55 55 ASP CB C 55 44.582 42.872 1.710 1
1 564 . 7 1 1 A 55 55 ASP C C 55 173.601 175.418 -1.817 1
1 566 . 7 1 1 A 56 56 LEU N N 56 125.098 122.707 2.391 1
1 567 . 7 1 1 A 56 56 LEU H H 56 8.300 8.849 -0.549 1
1 568 . 7 1 1 A 56 56 LEU CA C 56 53.221 53.878 -0.657 1
1 569 . 7 1 1 A 56 56 LEU HA H 56 5.422 5.222 0.200 1
1 570 . 7 1 1 A 56 56 LEU CB C 56 46.028 45.516 0.512 1
1 582 . 7 1 1 A 56 56 LEU C C 56 175.700 175.380 0.320 1
1 584 . 7 1 1 A 57 57 ALA N N 57 125.664 124.540 1.124 1
1 585 . 7 1 1 A 57 57 ALA H H 57 8.840 8.817 0.023 1
1 586 . 7 1 1 A 57 57 ALA CA C 57 51.851 50.758 1.093 1
1 587 . 7 1 1 A 57 57 ALA HA H 57 4.600 5.137 -0.537 1
1 588 . 7 1 1 A 57 57 ALA CB C 57 22.862 23.672 -0.810 1
1 592 . 7 1 1 A 57 57 ALA C C 57 174.504 175.313 -0.809 1
1 593 . 7 1 1 A 58 58 ILE N N 58 119.429 120.166 -0.737 1
1 594 . 7 1 1 A 58 58 ILE H H 58 8.617 8.649 -0.032 1
1 595 . 7 1 1 A 58 58 ILE CA C 58 60.143 59.638 0.505 1
1 596 . 7 1 1 A 58 58 ILE HA H 58 5.272 4.923 0.349 1
1 597 . 7 1 1 A 58 58 ILE CB C 58 41.068 42.126 -1.058 1
1 609 . 7 1 1 A 58 58 ILE C C 58 175.328 174.777 0.551 1
1 611 . 7 1 1 A 59 59 GLU N N 59 128.665 124.271 4.394 1
1 612 . 7 1 1 A 59 59 GLU H H 59 9.315 8.821 0.494 1
1 613 . 7 1 1 A 59 59 GLU CA C 59 54.166 54.905 -0.739 1
1 614 . 7 1 1 A 59 59 GLU HA H 59 4.920 5.125 -0.205 1
1 615 . 7 1 1 A 59 59 GLU CB C 59 32.698 33.045 -0.347 1
1 619 . 7 1 1 A 59 59 GLU C C 59 175.108 175.396 -0.288 1
1 622 . 7 1 1 A 60 60 GLY N N 60 110.929 108.745 2.184 1
1 623 . 7 1 1 A 60 60 GLY H H 60 8.427 8.413 0.014 1
1 624 . 7 1 1 A 60 60 GLY CA C 60 45.608 44.410 1.198 1
1 625 . 7 1 1 A 60 60 GLY HA3 H 60 3.927 4.078 -0.151 1
1 626 . 7 1 1 A 60 60 GLY C C 60 171.379 173.894 -2.515 1
1 627 . 7 1 1 A 60 60 GLY HA2 H 60 3.531 3.876 -0.345 1
1 628 . 7 1 1 A 61 61 PRO CA C 61 64.103 63.900 0.203 1
1 629 . 7 1 1 A 61 61 PRO HA H 61 4.270 4.418 -0.148 1
1 630 . 7 1 1 A 61 61 PRO CB C 61 32.206 31.878 0.328 1
1 636 . 7 1 1 A 61 61 PRO C C 61 176.075 175.891 0.184 1
1 640 . 7 1 1 A 62 62 SER N N 62 108.474 112.226 -3.752 1
1 641 . 7 1 1 A 62 62 SER H H 62 7.099 7.483 -0.384 1
1 642 . 7 1 1 A 62 62 SER CA C 62 56.398 57.172 -0.774 1
1 643 . 7 1 1 A 62 62 SER HA H 62 4.655 4.724 -0.069 1
1 644 . 7 1 1 A 62 62 SER CB C 62 67.457 65.512 1.945 1
1 646 . 7 1 1 A 62 62 SER C C 62 172.805 172.081 0.724 1
1 648 . 7 1 1 A 63 63 LYS N N 63 122.679 124.777 -2.098 1
1 649 . 7 1 1 A 63 63 LYS H H 63 8.653 8.434 0.219 1
1 650 . 7 1 1 A 63 63 LYS CA C 63 55.822 55.761 0.061 1
1 651 . 7 1 1 A 63 63 LYS HA H 63 4.449 4.718 -0.269 1
1 652 . 7 1 1 A 63 63 LYS CB C 63 31.384 33.602 -2.218 1
1 660 . 7 1 1 A 63 63 LYS C C 63 175.601 175.151 0.450 1
1 665 . 7 1 1 A 64 64 ALA N N 64 130.710 130.412 0.298 1
1 666 . 7 1 1 A 64 64 ALA H H 64 8.690 8.894 -0.204 1
1 667 . 7 1 1 A 64 64 ALA CA C 64 51.425 50.797 0.628 1
1 668 . 7 1 1 A 64 64 ALA HA H 64 4.578 5.141 -0.563 1
1 669 . 7 1 1 A 64 64 ALA CB C 64 19.803 20.979 -1.176 1
1 673 . 7 1 1 A 64 64 ALA C C 64 176.395 177.500 -1.105 1
1 674 . 7 1 1 A 65 65 GLU N N 65 123.534 120.890 2.644 1
1 675 . 7 1 1 A 65 65 GLU H H 65 8.397 8.678 -0.281 1
1 676 . 7 1 1 A 65 65 GLU CA C 65 56.854 56.546 0.308 1
1 677 . 7 1 1 A 65 65 GLU HA H 65 4.278 4.652 -0.374 1
1 678 . 7 1 1 A 65 65 GLU CB C 65 30.346 31.095 -0.749 1
1 682 . 7 1 1 A 65 65 GLU C C 65 176.381 175.767 0.614 1
1 685 . 7 1 1 A 66 66 ILE N N 66 124.380 121.984 2.396 1
1 686 . 7 1 1 A 66 66 ILE H H 66 8.541 8.623 -0.082 1
1 687 . 7 1 1 A 66 66 ILE CA C 66 60.568 60.488 0.080 1
1 688 . 7 1 1 A 66 66 ILE HA H 66 4.865 4.779 0.086 1
1 689 . 7 1 1 A 66 66 ILE CB C 66 41.804 40.517 1.287 1
1 701 . 7 1 1 A 66 66 ILE C C 66 175.421 174.506 0.915 1
1 703 . 7 1 1 A 67 67 SER N N 67 122.057 122.470 -0.413 1
1 704 . 7 1 1 A 67 67 SER H H 67 9.035 8.856 0.179 1
1 705 . 7 1 1 A 67 67 SER CA C 67 56.908 56.926 -0.018 1
1 706 . 7 1 1 A 67 67 SER HA H 67 4.729 5.077 -0.348 1
1 707 . 7 1 1 A 67 67 SER CB C 67 64.980 63.437 1.543 1
1 709 . 7 1 1 A 67 67 SER C C 67 172.294 172.942 -0.648 1
1 711 . 7 1 1 A 68 68 CYS N N 68 124.699 126.364 -1.665 1
1 712 . 7 1 1 A 68 68 CYS H H 68 8.732 8.855 -0.123 1
1 713 . 7 1 1 A 68 68 CYS CA C 68 57.310 59.504 -2.194 1
1 714 . 7 1 1 A 68 68 CYS HA H 68 5.038 4.551 0.487 1
1 715 . 7 1 1 A 68 68 CYS CB C 68 28.380 28.126 0.254 1
1 717 . 7 1 1 A 68 68 CYS C C 68 173.135 174.322 -1.187 1
1 719 . 7 1 1 A 69 69 ILE N N 69 128.680 126.280 2.400 1
1 720 . 7 1 1 A 69 69 ILE H H 69 8.757 8.722 0.035 1
1 721 . 7 1 1 A 69 69 ILE CA C 69 59.153 60.174 -1.021 1
1 722 . 7 1 1 A 69 69 ILE HA H 69 4.350 4.573 -0.223 1
1 723 . 7 1 1 A 69 69 ILE CB C 69 40.750 41.491 -0.741 1
1 735 . 7 1 1 A 69 69 ILE C C 69 174.363 173.459 0.904 1
1 737 . 7 1 1 A 70 70 ASP N N 70 126.290 128.270 -1.980 1
1 738 . 7 1 1 A 70 70 ASP H H 70 8.596 8.910 -0.314 1
1 739 . 7 1 1 A 70 70 ASP CA C 70 53.671 53.221 0.450 1
1 740 . 7 1 1 A 70 70 ASP HA H 70 4.892 5.401 -0.509 1
1 741 . 7 1 1 A 70 70 ASP CB C 70 41.069 43.317 -2.248 1
1 743 . 7 1 1 A 70 70 ASP C C 70 176.812 175.292 1.520 1
1 745 . 7 1 1 A 71 71 ASN N N 71 125.163 122.871 2.292 1
1 746 . 7 1 1 A 71 71 ASN H H 71 8.745 8.566 0.179 1
1 747 . 7 1 1 A 71 71 ASN CA C 71 54.626 51.973 2.653 1
1 748 . 7 1 1 A 71 71 ASN HA H 71 4.647 5.061 -0.414 1
1 749 . 7 1 1 A 71 71 ASN CB C 71 38.688 41.013 -2.325 1
1 754 . 7 1 1 A 71 71 ASN C C 71 175.657 175.064 0.593 1
1 756 . 7 1 1 A 72 72 LYS N N 72 114.425 119.206 -4.781 1
1 757 . 7 1 1 A 72 72 LYS H H 72 9.407 8.607 0.800 1
1 758 . 7 1 1 A 72 72 LYS CA C 72 57.535 55.910 1.625 1
1 759 . 7 1 1 A 72 72 LYS HA H 72 4.028 4.502 -0.474 1
1 760 . 7 1 1 A 72 72 LYS CB C 72 28.393 33.144 -4.751 1
1 768 . 7 1 1 A 72 72 LYS C C 72 175.123 177.202 -2.079 1
1 773 . 7 1 1 A 73 73 ASP N N 73 117.581 116.600 0.981 1
1 774 . 7 1 1 A 73 73 ASP H H 73 7.881 7.978 -0.097 1
1 775 . 7 1 1 A 73 73 ASP CA C 73 52.274 54.654 -2.380 1
1 776 . 7 1 1 A 73 73 ASP HA H 73 4.769 4.591 0.178 1
1 777 . 7 1 1 A 73 73 ASP CB C 73 41.210 41.611 -0.401 1
1 779 . 7 1 1 A 73 73 ASP C C 73 177.197 176.255 0.942 1
1 781 . 7 1 1 A 74 74 GLY N N 74 109.385 108.080 1.305 1
1 782 . 7 1 1 A 74 74 GLY H H 74 8.781 7.790 0.991 1
1 783 . 7 1 1 A 74 74 GLY CA C 74 45.179 45.050 0.129 1
1 784 . 7 1 1 A 74 74 GLY HA3 H 74 3.673 4.053 -0.380 1
1 785 . 7 1 1 A 74 74 GLY C C 74 173.671 173.620 0.051 1
1 786 . 7 1 1 A 74 74 GLY HA2 H 74 4.469 4.050 0.419 1
1 787 . 7 1 1 A 75 75 THR N N 75 110.220 109.479 0.741 1
1 788 . 7 1 1 A 75 75 THR H H 75 8.179 7.535 0.644 1
1 789 . 7 1 1 A 75 75 THR CA C 75 59.843 60.054 -0.211 1
1 790 . 7 1 1 A 75 75 THR HA H 75 5.678 5.017 0.661 1
1 791 . 7 1 1 A 75 75 THR CB C 75 73.810 72.816 0.994 1
1 797 . 7 1 1 A 75 75 THR C C 75 173.912 172.526 1.386 1
1 798 . 7 1 1 A 76 76 CYS N N 76 117.252 119.789 -2.537 1
1 799 . 7 1 1 A 76 76 CYS H H 76 9.295 8.619 0.676 1
1 800 . 7 1 1 A 76 76 CYS CA C 76 56.716 57.433 -0.717 1
1 801 . 7 1 1 A 76 76 CYS HA H 76 5.517 5.009 0.508 1
1 802 . 7 1 1 A 76 76 CYS CB C 76 31.176 30.468 0.708 1
1 804 . 7 1 1 A 76 76 CYS C C 76 174.083 172.850 1.233 1
1 806 . 7 1 1 A 77 77 THR N N 77 121.477 122.860 -1.383 1
1 807 . 7 1 1 A 77 77 THR H H 77 9.137 9.109 0.028 1
1 808 . 7 1 1 A 77 77 THR CA C 77 62.565 62.037 0.528 1
1 809 . 7 1 1 A 77 77 THR HA H 77 4.592 4.715 -0.123 1
1 810 . 7 1 1 A 77 77 THR CB C 77 70.447 69.727 0.720 1
1 816 . 7 1 1 A 77 77 THR C C 77 173.469 173.910 -0.441 1
1 817 . 7 1 1 A 78 78 VAL N N 78 131.586 127.523 4.063 1
1 818 . 7 1 1 A 78 78 VAL H H 78 9.099 8.318 0.781 1
1 819 . 7 1 1 A 78 78 VAL CA C 78 60.604 60.683 -0.079 1
1 820 . 7 1 1 A 78 78 VAL HA H 78 4.672 4.669 0.003 1
1 821 . 7 1 1 A 78 78 VAL CB C 78 32.061 33.699 -1.638 1
1 831 . 7 1 1 A 78 78 VAL C C 78 174.618 174.668 -0.050 1
1 832 . 7 1 1 A 79 79 THR N N 79 120.071 123.602 -3.531 1
1 833 . 7 1 1 A 79 79 THR H H 79 8.782 8.565 0.217 1
1 834 . 7 1 1 A 79 79 THR CA C 79 59.685 62.009 -2.324 1
1 835 . 7 1 1 A 79 79 THR HA H 79 5.424 5.198 0.226 1
1 836 . 7 1 1 A 79 79 THR CB C 79 71.374 70.771 0.603 1
1 842 . 7 1 1 A 79 79 THR C C 79 173.250 173.617 -0.367 1
1 843 . 7 1 1 A 80 80 TYR N N 80 120.212 121.457 -1.245 1
1 844 . 7 1 1 A 80 80 TYR H H 80 9.132 8.839 0.293 1
1 845 . 7 1 1 A 80 80 TYR CA C 80 55.554 55.740 -0.186 1
1 846 . 7 1 1 A 80 80 TYR HA H 80 5.686 5.489 0.197 1
1 847 . 7 1 1 A 80 80 TYR CB C 80 42.143 41.917 0.226 1
1 857 . 7 1 1 A 80 80 TYR C C 80 172.856 172.305 0.551 1
1 859 . 7 1 1 A 81 81 LEU N N 81 121.355 123.321 -1.966 1
1 860 . 7 1 1 A 81 81 LEU H H 81 7.729 9.168 -1.439 1
1 861 . 7 1 1 A 81 81 LEU CA C 81 50.912 51.032 -0.120 1
1 862 . 7 1 1 A 81 81 LEU HA H 81 4.991 4.793 0.198 1
1 863 . 7 1 1 A 81 81 LEU CB C 81 43.636 45.242 -1.606 1
1 875 . 7 1 1 A 81 81 LEU C C 81 172.982 175.196 -2.214 1
1 877 . 7 1 1 A 82 82 PRO CA C 82 61.629 62.729 -1.100 1
1 878 . 7 1 1 A 82 82 PRO HA H 82 4.587 4.696 -0.109 1
1 879 . 7 1 1 A 82 82 PRO CB C 82 32.091 32.480 -0.389 1
1 885 . 7 1 1 A 82 82 PRO C C 82 177.683 177.151 0.532 1
1 889 . 7 1 1 A 83 83 THR N N 83 112.637 114.114 -1.477 1
1 890 . 7 1 1 A 83 83 THR H H 83 8.438 8.568 -0.130 1
1 891 . 7 1 1 A 83 83 THR CA C 83 62.207 62.616 -0.409 1
1 892 . 7 1 1 A 83 83 THR HA H 83 4.305 4.485 -0.180 1
1 893 . 7 1 1 A 83 83 THR CB C 83 69.155 69.858 -0.703 1
1 899 . 7 1 1 A 83 83 THR C C 83 173.582 174.412 -0.830 1
1 900 . 7 1 1 A 84 84 LEU N N 84 118.186 120.581 -2.395 1
1 901 . 7 1 1 A 84 84 LEU H H 84 6.839 7.649 -0.810 1
1 902 . 7 1 1 A 84 84 LEU CA C 84 51.513 51.652 -0.139 1
1 903 . 7 1 1 A 84 84 LEU HA H 84 4.976 4.917 0.059 1
1 904 . 7 1 1 A 84 84 LEU CB C 84 45.838 45.825 0.013 1
1 916 . 7 1 1 A 84 84 LEU C C 84 175.119 174.469 0.650 1
1 918 . 7 1 1 A 85 85 PRO CA C 85 62.660 63.391 -0.731 1
1 919 . 7 1 1 A 85 85 PRO HA H 85 4.347 4.889 -0.542 1
1 920 . 7 1 1 A 85 85 PRO CB C 85 32.801 31.627 1.174 1
1 926 . 7 1 1 A 85 85 PRO C C 85 174.117 176.275 -2.158 1
1 930 . 7 1 1 A 86 86 GLY N N 86 106.704 108.487 -1.783 1
1 931 . 7 1 1 A 86 86 GLY H H 86 9.065 8.106 0.959 1
1 932 . 7 1 1 A 86 86 GLY CA C 86 44.520 45.613 -1.093 1
1 933 . 7 1 1 A 86 86 GLY HA3 H 86 3.838 4.133 -0.295 1
1 934 . 7 1 1 A 86 86 GLY C C 86 171.468 172.729 -1.261 1
1 935 . 7 1 1 A 86 86 GLY HA2 H 86 4.408 4.049 0.359 1
1 936 . 7 1 1 A 87 87 ASP N N 87 120.573 119.893 0.680 1
1 937 . 7 1 1 A 87 87 ASP H H 87 8.275 8.347 -0.072 1
1 938 . 7 1 1 A 87 87 ASP CA C 87 53.500 54.599 -1.099 1
1 939 . 7 1 1 A 87 87 ASP HA H 87 5.498 4.659 0.839 1
1 940 . 7 1 1 A 87 87 ASP CB C 87 40.877 40.731 0.146 1
1 942 . 7 1 1 A 87 87 ASP C C 87 176.069 175.856 0.213 1
1 944 . 7 1 1 A 88 88 TYR N N 88 124.115 123.696 0.419 1
1 945 . 7 1 1 A 88 88 TYR H H 88 9.510 9.025 0.485 1
1 946 . 7 1 1 A 88 88 TYR CA C 88 56.667 57.042 -0.375 1
1 947 . 7 1 1 A 88 88 TYR HA H 88 4.983 5.142 -0.159 1
1 948 . 7 1 1 A 88 88 TYR CB C 88 39.633 40.318 -0.685 1
1 958 . 7 1 1 A 88 88 TYR C C 88 174.533 175.196 -0.663 1
1 960 . 7 1 1 A 89 89 SER N N 89 118.331 120.845 -2.514 1
1 961 . 7 1 1 A 89 89 SER H H 89 9.200 8.748 0.452 1
1 962 . 7 1 1 A 89 89 SER CA C 89 56.737 58.084 -1.347 1
1 963 . 7 1 1 A 89 89 SER HA H 89 5.346 4.932 0.414 1
1 964 . 7 1 1 A 89 89 SER CB C 89 64.421 62.978 1.443 1
1 966 . 7 1 1 A 89 89 SER C C 89 173.462 173.483 -0.021 1
1 968 . 7 1 1 A 90 90 ILE N N 90 127.805 127.055 0.750 1
1 969 . 7 1 1 A 90 90 ILE H H 90 9.536 8.448 1.088 1
1 970 . 7 1 1 A 90 90 ILE CA C 90 61.209 61.501 -0.292 1
1 971 . 7 1 1 A 90 90 ILE HA H 90 4.505 4.336 0.169 1
1 972 . 7 1 1 A 90 90 ILE CB C 90 39.225 37.755 1.470 1
1 984 . 7 1 1 A 90 90 ILE C C 90 174.259 175.738 -1.479 1
1 986 . 7 1 1 A 91 91 LEU N N 91 129.968 128.829 1.139 1
1 987 . 7 1 1 A 91 91 LEU H H 91 9.354 9.312 0.042 1
1 988 . 7 1 1 A 91 91 LEU CA C 91 55.510 53.798 1.712 1
1 989 . 7 1 1 A 91 91 LEU HA H 91 4.774 5.010 -0.236 1
1 990 . 7 1 1 A 91 91 LEU CB C 91 42.674 42.704 -0.030 1
1 1002 . 7 1 1 A 91 91 LEU C C 91 175.517 175.439 0.078 1
1 1004 . 7 1 1 A 92 92 VAL N N 92 124.859 126.408 -1.549 1
1 1005 . 7 1 1 A 92 92 VAL H H 92 9.431 9.153 0.278 1
1 1006 . 7 1 1 A 92 92 VAL CA C 92 61.488 60.865 0.623 1
1 1007 . 7 1 1 A 92 92 VAL HA H 92 4.626 4.854 -0.228 1
1 1008 . 7 1 1 A 92 92 VAL CB C 92 33.437 34.010 -0.573 1
1 1018 . 7 1 1 A 92 92 VAL C C 92 173.589 175.147 -1.558 1
1 1019 . 7 1 1 A 93 93 LYS N N 93 123.909 125.628 -1.719 1
1 1020 . 7 1 1 A 93 93 LYS H H 93 8.660 8.867 -0.207 1
1 1021 . 7 1 1 A 93 93 LYS CA C 93 53.953 54.303 -0.350 1
1 1022 . 7 1 1 A 93 93 LYS HA H 93 5.017 5.024 -0.007 1
1 1023 . 7 1 1 A 93 93 LYS CB C 93 36.475 36.719 -0.244 1
1 1031 . 7 1 1 A 93 93 LYS C C 93 174.746 174.458 0.288 1
1 1036 . 7 1 1 A 94 94 TYR N N 94 120.499 122.842 -2.343 1
1 1037 . 7 1 1 A 94 94 TYR H H 94 8.821 9.468 -0.647 1
1 1038 . 7 1 1 A 94 94 TYR CA C 94 56.438 57.590 -1.152 1
1 1039 . 7 1 1 A 94 94 TYR HA H 94 5.161 4.886 0.275 1
1 1040 . 7 1 1 A 94 94 TYR CB C 94 41.931 41.569 0.362 1
1 1050 . 7 1 1 A 94 94 TYR C C 94 176.635 174.949 1.686 1
1 1052 . 7 1 1 A 95 95 ASN N N 95 128.155 125.902 2.253 1
1 1053 . 7 1 1 A 95 95 ASN H H 95 8.872 9.367 -0.495 1
1 1054 . 7 1 1 A 95 95 ASN CA C 95 54.360 54.483 -0.123 1
1 1055 . 7 1 1 A 95 95 ASN HA H 95 4.215 4.293 -0.078 1
1 1056 . 7 1 1 A 95 95 ASN CB C 95 36.735 36.591 0.144 1
1 1061 . 7 1 1 A 95 95 ASN C C 95 174.592 174.165 0.427 1
1 1063 . 7 1 1 A 96 96 ASP N N 96 110.440 109.976 0.464 1
1 1064 . 7 1 1 A 96 96 ASP H H 96 9.304 8.507 0.797 1
1 1065 . 7 1 1 A 96 96 ASP CA C 96 55.920 55.376 0.544 1
1 1066 . 7 1 1 A 96 96 ASP HA H 96 4.030 4.136 -0.106 1
1 1067 . 7 1 1 A 96 96 ASP CB C 96 40.704 38.792 1.912 1
1 1069 . 7 1 1 A 96 96 ASP C C 96 174.657 174.533 0.124 1
1 1071 . 7 1 1 A 97 97 LYS N N 97 118.806 117.405 1.401 1
1 1072 . 7 1 1 A 97 97 LYS H H 97 7.482 7.586 -0.104 1
1 1073 . 7 1 1 A 97 97 LYS CA C 97 54.378 55.859 -1.481 1
1 1074 . 7 1 1 A 97 97 LYS HA H 97 4.715 4.715 0.000 1
1 1075 . 7 1 1 A 97 97 LYS CB C 97 35.127 35.621 -0.494 1
1 1083 . 7 1 1 A 97 97 LYS C C 97 176.499 174.419 2.080 1
1 1088 . 7 1 1 A 98 98 HIS N N 98 124.063 124.990 -0.927 1
1 1089 . 7 1 1 A 98 98 HIS H H 98 8.795 9.092 -0.297 1
1 1090 . 7 1 1 A 98 98 HIS CA C 98 58.870 56.171 2.699 1
1 1091 . 7 1 1 A 98 98 HIS HA H 98 4.496 4.763 -0.267 1
1 1092 . 7 1 1 A 98 98 HIS CB C 98 32.178 30.742 1.436 1
1 1098 . 7 1 1 A 98 98 HIS C C 98 177.720 175.744 1.976 1
1 1100 . 7 1 1 A 99 99 ILE N N 99 120.049 121.646 -1.597 1
1 1101 . 7 1 1 A 99 99 ILE H H 99 8.380 8.504 -0.124 1
1 1102 . 7 1 1 A 99 99 ILE CA C 99 60.674 59.796 0.878 1
1 1103 . 7 1 1 A 99 99 ILE HA H 99 4.696 4.433 0.263 1
1 1104 . 7 1 1 A 99 99 ILE CB C 99 35.539 37.927 -2.388 1
1 1116 . 7 1 1 A 99 99 ILE C C 99 173.419 174.834 -1.415 1
1 1118 . 7 1 1 A 100 100 PRO CA C 100 65.343 63.573 1.770 1
1 1119 . 7 1 1 A 100 100 PRO HA H 100 4.255 4.344 -0.089 1
1 1120 . 7 1 1 A 100 100 PRO CB C 100 31.128 30.959 0.169 1
1 1126 . 7 1 1 A 100 100 PRO C C 100 176.734 177.461 -0.727 1
1 1130 . 7 1 1 A 101 101 GLY N N 101 113.906 113.243 0.663 1
1 1131 . 7 1 1 A 101 101 GLY H H 101 8.167 8.718 -0.551 1
1 1132 . 7 1 1 A 101 101 GLY CA C 101 44.668 44.915 -0.247 1
1 1133 . 7 1 1 A 101 101 GLY HA3 H 101 3.120 3.969 -0.849 1
1 1134 . 7 1 1 A 101 101 GLY C C 101 171.985 173.955 -1.970 1
1 1135 . 7 1 1 A 101 101 GLY HA2 H 101 4.140 3.945 0.195 1
1 1136 . 7 1 1 A 102 102 SER N N 102 112.418 117.234 -4.816 1
1 1137 . 7 1 1 A 102 102 SER H H 102 7.641 7.343 0.298 1
1 1138 . 7 1 1 A 102 102 SER CA C 102 54.770 55.692 -0.922 1
1 1139 . 7 1 1 A 102 102 SER HA H 102 4.107 4.156 -0.049 1
1 1140 . 7 1 1 A 102 102 SER CB C 102 62.454 63.925 -1.471 1
1 1142 . 7 1 1 A 102 102 SER C C 102 174.682 171.980 2.702 1
1 1144 . 7 1 1 A 103 103 PRO CA C 103 62.301 62.247 0.054 1
1 1145 . 7 1 1 A 103 103 PRO HA H 103 5.363 4.633 0.730 1
1 1146 . 7 1 1 A 103 103 PRO CB C 103 33.964 31.855 2.109 1
1 1152 . 7 1 1 A 103 103 PRO C C 103 176.438 176.369 0.069 1
1 1156 . 7 1 1 A 104 104 PHE N N 104 126.067 120.131 5.936 1
1 1157 . 7 1 1 A 104 104 PHE H H 104 9.449 8.041 1.408 1
1 1158 . 7 1 1 A 104 104 PHE CA C 104 57.102 57.672 -0.570 1
1 1159 . 7 1 1 A 104 104 PHE HA H 104 4.621 4.876 -0.255 1
1 1160 . 7 1 1 A 104 104 PHE CB C 104 40.656 40.449 0.207 1
1 1170 . 7 1 1 A 104 104 PHE C C 104 176.313 175.873 0.440 1
1 1172 . 7 1 1 A 105 105 THR N N 105 118.402 115.714 2.688 1
1 1173 . 7 1 1 A 105 105 THR H H 105 8.842 8.837 0.005 1
1 1174 . 7 1 1 A 105 105 THR CA C 105 62.018 61.602 0.416 1
1 1175 . 7 1 1 A 105 105 THR HA H 105 5.153 5.008 0.145 1
1 1176 . 7 1 1 A 105 105 THR CB C 105 70.095 70.357 -0.262 1
1 1182 . 7 1 1 A 105 105 THR C C 105 172.525 173.437 -0.912 1
1 1183 . 7 1 1 A 106 106 ALA N N 106 131.132 130.387 0.745 1
1 1184 . 7 1 1 A 106 106 ALA H H 106 9.192 8.449 0.743 1
1 1185 . 7 1 1 A 106 106 ALA CA C 106 50.187 51.235 -1.048 1
1 1186 . 7 1 1 A 106 106 ALA HA H 106 4.435 4.946 -0.511 1
1 1187 . 7 1 1 A 106 106 ALA CB C 106 21.021 19.419 1.602 1
1 1191 . 7 1 1 A 106 106 ALA C C 106 176.136 176.558 -0.422 1
1 1192 . 7 1 1 A 107 107 LYS N N 107 122.751 125.854 -3.103 1
1 1193 . 7 1 1 A 107 107 LYS H H 107 7.746 8.595 -0.849 1
1 1194 . 7 1 1 A 107 107 LYS CA C 107 55.652 56.151 -0.499 1
1 1195 . 7 1 1 A 107 107 LYS HA H 107 4.797 4.611 0.186 1
1 1196 . 7 1 1 A 107 107 LYS CB C 107 32.606 32.002 0.604 1
1 1204 . 7 1 1 A 107 107 LYS C C 107 174.648 174.970 -0.322 1
1 1209 . 7 1 1 A 108 108 ILE N N 108 127.629 127.453 0.176 1
1 1210 . 7 1 1 A 108 108 ILE H H 108 9.024 8.567 0.457 1
1 1211 . 7 1 1 A 108 108 ILE CA C 108 56.801 60.719 -3.918 1
1 1212 . 7 1 1 A 108 108 ILE HA H 108 4.688 5.130 -0.442 1
1 1213 . 7 1 1 A 108 108 ILE CB C 108 35.101 39.117 -4.016 1
1 1225 . 7 1 1 A 108 108 ILE C C 108 178.159 175.669 2.490 1
1 1227 . 7 1 1 A 109 109 THR N N 109 121.563 117.150 4.413 1
1 1228 . 7 1 1 A 109 109 THR H H 109 8.861 8.762 0.099 1
1 1229 . 7 1 1 A 109 109 THR CA C 109 60.745 59.642 1.103 1
1 1230 . 7 1 1 A 109 109 THR HA H 109 4.778 5.008 -0.230 1
1 1231 . 7 1 1 A 109 109 THR CB C 109 71.067 71.673 -0.606 1
1 1237 . 7 1 1 A 109 109 THR C C 109 173.421 172.817 0.604 1
1 1238 . 7 1 1 A 110 110 ASP N N 110 119.526 120.633 -1.107 1
1 1239 . 7 1 1 A 110 110 ASP H H 110 8.631 8.345 0.286 1
1 1240 . 7 1 1 A 110 110 ASP CA C 110 53.971 53.469 0.502 1
1 1241 . 7 1 1 A 110 110 ASP HA H 110 4.729 4.931 -0.202 1
1 1242 . 7 1 1 A 110 110 ASP CB C 110 42.087 39.949 2.138 1
1 1244 . 7 1 1 A 110 110 ASP C C 110 176.124 176.355 -0.231 1
1 1246 . 7 1 1 A 111 111 ASP N N 111 122.287 118.123 4.164 1
1 1247 . 7 1 1 A 111 111 ASP H H 111 8.638 8.107 0.531 1
1 1248 . 7 1 1 A 111 111 ASP CA C 111 54.042 54.965 -0.923 1
1 1249 . 7 1 1 A 111 111 ASP HA H 111 4.644 4.239 0.405 1
1 1250 . 7 1 1 A 111 111 ASP CB C 111 41.218 39.291 1.927 1
1 1252 . 7 1 1 A 111 111 ASP C C 111 176.668 176.290 0.378 1
1 1254 . 7 1 1 A 112 112 SER N N 112 117.157 114.507 2.650 1
1 1255 . 7 1 1 A 112 112 SER H H 112 8.416 7.901 0.515 1
1 1256 . 7 1 1 A 112 112 SER CA C 112 59.277 57.415 1.862 1
1 1257 . 7 1 1 A 112 112 SER HA H 112 4.348 4.534 -0.186 1
1 1258 . 7 1 1 A 112 112 SER CB C 112 63.943 61.627 2.316 1
1 1260 . 7 1 1 A 112 112 SER C C 112 174.721 173.051 1.670 1
1 1262 . 7 1 1 A 113 113 ARG N N 113 122.178 126.640 -4.462 1
1 1263 . 7 1 1 A 113 113 ARG H H 113 8.238 7.906 0.332 1
1 1264 . 7 1 1 A 113 113 ARG CA C 113 56.195 54.464 1.731 1
1 1265 . 7 1 1 A 113 113 ARG HA H 113 4.347 5.096 -0.749 1
1 1266 . 7 1 1 A 113 113 ARG CB C 113 30.470 34.588 -4.118 1
1 1271 . 7 1 1 A 113 113 ARG C C 113 176.207 174.827 1.380 1
1 1275 . 7 1 1 A 114 114 ARG N N 114 122.696 119.457 3.239 1
1 1276 . 7 1 1 A 114 114 ARG H H 114 8.338 9.040 -0.702 1
1 1277 . 7 1 1 A 114 114 ARG CA C 114 56.164 53.742 2.422 1
1 1278 . 7 1 1 A 114 114 ARG HA H 114 4.390 5.066 -0.676 1
1 1279 . 7 1 1 A 114 114 ARG CB C 114 30.679 33.905 -3.226 1
1 1285 . 7 1 1 A 114 114 ARG C C 114 175.468 174.464 1.004 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 44.699 43.803 0.896 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.124 4.325 -0.201 1
1 3 . 8 1 1 A 7 7 GLY HA2 H 7 4.124 4.319 -0.195 1
1 4 . 8 1 1 A 8 8 PRO CA C 8 63.321 63.911 -0.590 1
1 5 . 8 1 1 A 8 8 PRO HA H 8 4.418 4.495 -0.077 1
1 6 . 8 1 1 A 8 8 PRO CB C 8 32.104 31.578 0.526 1
1 12 . 8 1 1 A 8 8 PRO C C 8 177.159 176.231 0.928 1
1 16 . 8 1 1 A 9 9 GLU N N 9 120.837 119.677 1.160 1
1 17 . 8 1 1 A 9 9 GLU H H 9 8.612 8.053 0.559 1
1 18 . 8 1 1 A 9 9 GLU CA C 9 56.642 56.181 0.461 1
1 19 . 8 1 1 A 9 9 GLU HA H 9 4.282 4.288 -0.006 1
1 20 . 8 1 1 A 9 9 GLU CB C 9 30.181 30.168 0.013 1
1 24 . 8 1 1 A 9 9 GLU C C 9 176.387 176.192 0.195 1
1 27 . 8 1 1 A 10 10 SER N N 10 117.776 118.095 -0.319 1
1 28 . 8 1 1 A 10 10 SER H H 10 8.264 8.457 -0.193 1
1 29 . 8 1 1 A 10 10 SER CA C 10 56.382 55.191 1.191 1
1 30 . 8 1 1 A 10 10 SER HA H 10 4.763 4.964 -0.201 1
1 31 . 8 1 1 A 10 10 SER CB C 10 63.575 64.144 -0.569 1
1 33 . 8 1 1 A 10 10 SER C C 10 172.958 171.830 1.128 1
1 35 . 8 1 1 A 11 11 PRO CA C 11 63.404 62.425 0.979 1
1 36 . 8 1 1 A 11 11 PRO HA H 11 4.432 4.574 -0.142 1
1 37 . 8 1 1 A 11 11 PRO CB C 11 31.958 32.298 -0.340 1
1 43 . 8 1 1 A 11 11 PRO C C 11 176.922 176.654 0.268 1
1 47 . 8 1 1 A 12 12 LEU N N 12 121.245 122.855 -1.610 1
1 48 . 8 1 1 A 12 12 LEU H H 12 8.172 8.443 -0.271 1
1 49 . 8 1 1 A 12 12 LEU CA C 12 55.521 54.844 0.677 1
1 50 . 8 1 1 A 12 12 LEU HA H 12 4.236 4.232 0.004 1
1 51 . 8 1 1 A 12 12 LEU CB C 12 42.138 42.904 -0.766 1
1 63 . 8 1 1 A 12 12 LEU C C 12 177.236 177.703 -0.467 1
1 65 . 8 1 1 A 13 13 GLN N N 13 120.086 122.529 -2.443 1
1 66 . 8 1 1 A 13 13 GLN H H 13 8.098 9.084 -0.986 1
1 67 . 8 1 1 A 13 13 GLN CA C 13 55.785 56.679 -0.894 1
1 68 . 8 1 1 A 13 13 GLN HA H 13 4.220 3.951 0.269 1
1 69 . 8 1 1 A 13 13 GLN CB C 13 29.628 27.403 2.225 1
1 76 . 8 1 1 A 13 13 GLN C C 13 175.243 175.156 0.087 1
1 79 . 8 1 1 A 14 14 PHE N N 14 120.461 115.046 5.415 1
1 80 . 8 1 1 A 14 14 PHE H H 14 8.056 8.120 -0.064 1
1 81 . 8 1 1 A 14 14 PHE CA C 14 57.739 55.941 1.798 1
1 82 . 8 1 1 A 14 14 PHE HA H 14 4.545 5.149 -0.604 1
1 83 . 8 1 1 A 14 14 PHE CB C 14 39.825 40.388 -0.563 1
1 95 . 8 1 1 A 14 14 PHE C C 14 175.022 174.046 0.976 1
1 97 . 8 1 1 A 15 15 TYR N N 15 121.213 123.141 -1.928 1
1 98 . 8 1 1 A 15 15 TYR H H 15 8.004 8.603 -0.599 1
1 99 . 8 1 1 A 15 15 TYR CA C 15 57.756 58.461 -0.705 1
1 100 . 8 1 1 A 15 15 TYR HA H 15 4.506 4.763 -0.257 1
1 101 . 8 1 1 A 15 15 TYR CB C 15 39.012 41.044 -2.032 1
1 111 . 8 1 1 A 15 15 TYR C C 15 175.174 173.269 1.905 1
1 113 . 8 1 1 A 16 16 VAL N N 16 121.693 123.502 -1.809 1
1 114 . 8 1 1 A 16 16 VAL H H 16 7.900 8.491 -0.591 1
1 115 . 8 1 1 A 16 16 VAL CA C 16 62.248 59.509 2.739 1
1 116 . 8 1 1 A 16 16 VAL HA H 16 3.932 4.355 -0.423 1
1 117 . 8 1 1 A 16 16 VAL CB C 16 33.023 34.731 -1.708 1
1 127 . 8 1 1 A 16 16 VAL C C 16 175.016 173.316 1.700 1
1 128 . 8 1 1 A 17 17 ASN N N 17 121.488 123.933 -2.445 1
1 129 . 8 1 1 A 17 17 ASN H H 17 8.198 8.374 -0.176 1
1 130 . 8 1 1 A 17 17 ASN CA C 17 52.948 51.588 1.360 1
1 131 . 8 1 1 A 17 17 ASN HA H 17 4.630 5.337 -0.707 1
1 132 . 8 1 1 A 17 17 ASN CB C 17 39.289 42.421 -3.132 1
1 137 . 8 1 1 A 17 17 ASN C C 17 174.167 173.202 0.965 1
1 139 . 8 1 1 A 18 18 TYR N N 18 122.069 122.611 -0.542 1
1 140 . 8 1 1 A 18 18 TYR H H 18 8.117 8.533 -0.416 1
1 141 . 8 1 1 A 18 18 TYR CA C 18 55.970 55.852 0.118 1
1 142 . 8 1 1 A 18 18 TYR HA H 18 4.771 4.839 -0.068 1
1 143 . 8 1 1 A 18 18 TYR CB C 18 38.260 42.084 -3.824 1
1 153 . 8 1 1 A 18 18 TYR C C 18 173.978 175.049 -1.071 1
1 155 . 8 1 1 A 19 19 PRO CA C 19 63.378 64.027 -0.649 1
1 156 . 8 1 1 A 19 19 PRO HA H 19 4.414 4.453 -0.039 1
1 157 . 8 1 1 A 19 19 PRO CB C 19 32.018 31.960 0.058 1
1 163 . 8 1 1 A 19 19 PRO C C 19 176.659 177.080 -0.421 1
1 167 . 8 1 1 A 20 20 ASN N N 20 118.582 117.038 1.544 1
1 168 . 8 1 1 A 20 20 ASN H H 20 8.508 8.386 0.122 1
1 169 . 8 1 1 A 20 20 ASN CA C 20 53.334 56.205 -2.871 1
1 170 . 8 1 1 A 20 20 ASN HA H 20 4.756 4.420 0.336 1
1 171 . 8 1 1 A 20 20 ASN CB C 20 38.964 38.719 0.245 1
1 176 . 8 1 1 A 20 20 ASN C C 20 175.301 175.220 0.081 1
1 178 . 8 1 1 A 21 21 SER N N 21 115.989 112.827 3.162 1
1 179 . 8 1 1 A 21 21 SER H H 21 8.360 7.679 0.681 1
1 180 . 8 1 1 A 21 21 SER CA C 21 58.877 57.312 1.565 1
1 181 . 8 1 1 A 21 21 SER HA H 21 4.481 4.746 -0.265 1
1 182 . 8 1 1 A 21 21 SER CB C 21 63.988 65.269 -1.281 1
1 184 . 8 1 1 A 21 21 SER C C 21 175.006 172.390 2.616 1
1 186 . 8 1 1 A 22 22 GLY N N 22 110.974 111.850 -0.876 1
1 187 . 8 1 1 A 22 22 GLY H H 22 8.523 8.521 0.002 1
1 188 . 8 1 1 A 22 22 GLY CA C 22 45.429 44.925 0.504 1
1 189 . 8 1 1 A 22 22 GLY HA3 H 22 4.074 4.230 -0.156 1
1 190 . 8 1 1 A 22 22 GLY C C 22 173.860 172.335 1.525 1
1 191 . 8 1 1 A 22 22 GLY HA2 H 22 4.074 4.221 -0.147 1
1 192 . 8 1 1 A 23 23 SER N N 23 115.179 120.635 -5.456 1
1 193 . 8 1 1 A 23 23 SER H H 23 8.190 9.005 -0.815 1
1 194 . 8 1 1 A 23 23 SER CA C 23 58.233 57.493 0.740 1
1 195 . 8 1 1 A 23 23 SER HA H 23 4.511 5.112 -0.601 1
1 196 . 8 1 1 A 23 23 SER CB C 23 64.511 67.366 -2.855 1
1 198 . 8 1 1 A 23 23 SER C C 23 173.263 172.775 0.488 1
1 200 . 8 1 1 A 24 24 VAL N N 24 122.289 123.552 -1.263 1
1 201 . 8 1 1 A 24 24 VAL H H 24 7.889 8.680 -0.791 1
1 202 . 8 1 1 A 24 24 VAL CA C 24 61.754 61.476 0.278 1
1 203 . 8 1 1 A 24 24 VAL HA H 24 4.567 4.533 0.034 1
1 204 . 8 1 1 A 24 24 VAL CB C 24 33.612 32.762 0.850 1
1 214 . 8 1 1 A 24 24 VAL C C 24 174.799 175.187 -0.388 1
1 215 . 8 1 1 A 25 25 SER N N 25 118.995 124.377 -5.382 1
1 216 . 8 1 1 A 25 25 SER H H 25 8.244 9.040 -0.796 1
1 217 . 8 1 1 A 25 25 SER CA C 25 57.102 57.434 -0.332 1
1 218 . 8 1 1 A 25 25 SER HA H 25 5.039 5.221 -0.182 1
1 219 . 8 1 1 A 25 25 SER CB C 25 66.338 65.279 1.059 1
1 221 . 8 1 1 A 25 25 SER C C 25 171.718 173.351 -1.633 1
1 223 . 8 1 1 A 26 26 ALA N N 26 121.537 128.484 -6.947 1
1 224 . 8 1 1 A 26 26 ALA H H 26 8.503 9.090 -0.587 1
1 225 . 8 1 1 A 26 26 ALA CA C 26 50.695 50.262 0.433 1
1 226 . 8 1 1 A 26 26 ALA HA H 26 5.637 5.480 0.157 1
1 227 . 8 1 1 A 26 26 ALA CB C 26 23.364 21.680 1.684 1
1 231 . 8 1 1 A 26 26 ALA C C 26 175.355 176.208 -0.853 1
1 232 . 8 1 1 A 27 27 TYR N N 27 116.588 118.036 -1.448 1
1 233 . 8 1 1 A 27 27 TYR H H 27 8.885 8.651 0.234 1
1 234 . 8 1 1 A 27 27 TYR CA C 27 57.013 55.834 1.179 1
1 235 . 8 1 1 A 27 27 TYR HA H 27 4.742 5.145 -0.403 1
1 236 . 8 1 1 A 27 27 TYR CB C 27 40.325 41.585 -1.260 1
1 246 . 8 1 1 A 27 27 TYR C C 27 172.990 173.882 -0.892 1
1 248 . 8 1 1 A 28 28 GLY N N 28 108.423 106.713 1.710 1
1 249 . 8 1 1 A 28 28 GLY H H 28 8.475 8.407 0.068 1
1 250 . 8 1 1 A 28 28 GLY CA C 28 44.439 44.603 -0.164 1
1 251 . 8 1 1 A 28 28 GLY HA3 H 28 4.141 4.133 0.008 1
1 252 . 8 1 1 A 28 28 GLY C C 28 173.419 173.948 -0.529 1
1 253 . 8 1 1 A 28 28 GLY HA2 H 28 5.092 4.110 0.982 1
1 254 . 8 1 1 A 29 29 PRO CA C 29 65.537 63.769 1.768 1
1 255 . 8 1 1 A 29 29 PRO HA H 29 4.298 4.115 0.183 1
1 256 . 8 1 1 A 29 29 PRO CB C 29 31.509 31.676 -0.167 1
1 262 . 8 1 1 A 29 29 PRO C C 29 178.493 177.493 1.000 1
1 266 . 8 1 1 A 30 30 GLY N N 30 102.459 106.556 -4.097 1
1 267 . 8 1 1 A 30 30 GLY H H 30 8.655 8.314 0.341 1
1 268 . 8 1 1 A 30 30 GLY CA C 30 46.245 45.997 0.248 1
1 269 . 8 1 1 A 30 30 GLY HA3 H 30 3.417 4.122 -0.705 1
1 270 . 8 1 1 A 30 30 GLY C C 30 172.945 174.701 -1.756 1
1 271 . 8 1 1 A 30 30 GLY HA2 H 30 4.316 4.007 0.309 1
1 272 . 8 1 1 A 31 31 LEU N N 31 116.436 121.222 -4.786 1
1 273 . 8 1 1 A 31 31 LEU H H 31 7.049 7.357 -0.308 1
1 274 . 8 1 1 A 31 31 LEU CA C 31 55.368 56.764 -1.396 1
1 275 . 8 1 1 A 31 31 LEU HA H 31 3.784 4.017 -0.233 1
1 276 . 8 1 1 A 31 31 LEU CB C 31 42.148 42.126 0.022 1
1 288 . 8 1 1 A 31 31 LEU C C 31 175.321 178.672 -3.351 1
1 290 . 8 1 1 A 32 32 VAL N N 32 112.078 117.317 -5.239 1
1 291 . 8 1 1 A 32 32 VAL H H 32 7.739 6.983 0.756 1
1 292 . 8 1 1 A 32 32 VAL CA C 32 62.956 64.918 -1.962 1
1 293 . 8 1 1 A 32 32 VAL HA H 32 4.574 3.690 0.884 1
1 294 . 8 1 1 A 32 32 VAL CB C 32 35.415 31.715 3.700 1
1 304 . 8 1 1 A 32 32 VAL C C 32 176.810 175.760 1.050 1
1 305 . 8 1 1 A 33 33 TYR N N 33 121.116 115.712 5.404 1
1 306 . 8 1 1 A 33 33 TYR H H 33 8.638 7.323 1.315 1
1 307 . 8 1 1 A 33 33 TYR CA C 33 56.523 55.946 0.577 1
1 308 . 8 1 1 A 33 33 TYR HA H 33 5.639 4.991 0.648 1
1 309 . 8 1 1 A 33 33 TYR CB C 33 42.165 40.973 1.192 1
1 319 . 8 1 1 A 33 33 TYR C C 33 172.858 173.738 -0.880 1
1 321 . 8 1 1 A 34 34 GLY N N 34 107.313 106.996 0.317 1
1 322 . 8 1 1 A 34 34 GLY H H 34 7.637 8.500 -0.863 1
1 323 . 8 1 1 A 34 34 GLY CA C 34 44.721 45.855 -1.134 1
1 324 . 8 1 1 A 34 34 GLY HA3 H 34 3.793 4.500 -0.707 1
1 325 . 8 1 1 A 34 34 GLY C C 34 170.727 172.089 -1.362 1
1 326 . 8 1 1 A 34 34 GLY HA2 H 34 3.873 4.468 -0.595 1
1 327 . 8 1 1 A 35 35 VAL N N 35 120.853 119.672 1.181 1
1 328 . 8 1 1 A 35 35 VAL H H 35 8.731 8.342 0.389 1
1 329 . 8 1 1 A 35 35 VAL CA C 35 60.627 60.840 -0.213 1
1 330 . 8 1 1 A 35 35 VAL HA H 35 4.589 4.901 -0.312 1
1 331 . 8 1 1 A 35 35 VAL CB C 35 35.374 35.978 -0.604 1
1 341 . 8 1 1 A 35 35 VAL C C 35 174.813 175.106 -0.293 1
1 342 . 8 1 1 A 36 36 ALA N N 36 127.708 130.048 -2.340 1
1 343 . 8 1 1 A 36 36 ALA H H 36 8.482 8.373 0.109 1
1 344 . 8 1 1 A 36 36 ALA CA C 36 53.332 53.520 -0.188 1
1 345 . 8 1 1 A 36 36 ALA HA H 36 3.535 4.068 -0.533 1
1 346 . 8 1 1 A 36 36 ALA CB C 36 17.653 18.605 -0.952 1
1 350 . 8 1 1 A 36 36 ALA C C 36 176.968 178.205 -1.237 1
1 351 . 8 1 1 A 37 37 ASN N N 37 111.234 116.599 -5.365 1
1 352 . 8 1 1 A 37 37 ASN H H 37 9.147 8.891 0.256 1
1 353 . 8 1 1 A 37 37 ASN CA C 37 55.728 54.259 1.469 1
1 354 . 8 1 1 A 37 37 ASN HA H 37 3.962 4.281 -0.319 1
1 355 . 8 1 1 A 37 37 ASN CB C 37 37.147 37.018 0.129 1
1 360 . 8 1 1 A 37 37 ASN C C 37 173.119 173.731 -0.612 1
1 362 . 8 1 1 A 38 38 LYS N N 38 119.100 118.151 0.949 1
1 363 . 8 1 1 A 38 38 LYS H H 38 7.972 7.408 0.564 1
1 364 . 8 1 1 A 38 38 LYS CA C 38 54.306 54.757 -0.451 1
1 365 . 8 1 1 A 38 38 LYS HA H 38 4.606 4.850 -0.244 1
1 366 . 8 1 1 A 38 38 LYS CB C 38 34.799 35.477 -0.678 1
1 374 . 8 1 1 A 38 38 LYS C C 38 175.533 175.158 0.375 1
1 379 . 8 1 1 A 39 39 THR N N 39 114.730 116.294 -1.564 1
1 380 . 8 1 1 A 39 39 THR H H 39 8.158 8.535 -0.377 1
1 381 . 8 1 1 A 39 39 THR CA C 39 63.302 61.881 1.421 1
1 382 . 8 1 1 A 39 39 THR HA H 39 4.138 4.239 -0.101 1
1 383 . 8 1 1 A 39 39 THR CB C 39 69.652 69.165 0.487 1
1 389 . 8 1 1 A 39 39 THR C C 39 174.281 174.062 0.219 1
1 390 . 8 1 1 A 40 40 ALA N N 40 129.891 127.545 2.346 1
1 391 . 8 1 1 A 40 40 ALA H H 40 8.750 8.188 0.562 1
1 392 . 8 1 1 A 40 40 ALA CA C 40 50.399 50.489 -0.090 1
1 393 . 8 1 1 A 40 40 ALA HA H 40 4.702 4.918 -0.216 1
1 394 . 8 1 1 A 40 40 ALA CB C 40 20.495 20.503 -0.008 1
1 398 . 8 1 1 A 40 40 ALA C C 40 176.039 175.864 0.175 1
1 399 . 8 1 1 A 41 41 THR N N 41 112.902 118.258 -5.356 1
1 400 . 8 1 1 A 41 41 THR H H 41 8.536 8.875 -0.339 1
1 401 . 8 1 1 A 41 41 THR CA C 41 59.688 61.333 -1.645 1
1 402 . 8 1 1 A 41 41 THR HA H 41 5.779 5.294 0.485 1
1 403 . 8 1 1 A 41 41 THR CB C 41 72.348 71.744 0.604 1
1 409 . 8 1 1 A 41 41 THR C C 41 173.286 174.066 -0.780 1
1 410 . 8 1 1 A 42 42 PHE N N 42 119.525 121.597 -2.072 1
1 411 . 8 1 1 A 42 42 PHE H H 42 8.825 8.075 0.750 1
1 412 . 8 1 1 A 42 42 PHE CA C 42 57.031 55.001 2.030 1
1 413 . 8 1 1 A 42 42 PHE HA H 42 5.013 5.540 -0.527 1
1 414 . 8 1 1 A 42 42 PHE CB C 42 40.155 41.844 -1.689 1
1 426 . 8 1 1 A 42 42 PHE C C 42 171.282 173.257 -1.975 1
1 428 . 8 1 1 A 43 43 THR N N 43 117.427 114.624 2.803 1
1 429 . 8 1 1 A 43 43 THR H H 43 9.210 8.265 0.945 1
1 430 . 8 1 1 A 43 43 THR CA C 43 62.250 61.289 0.961 1
1 431 . 8 1 1 A 43 43 THR HA H 43 4.987 4.912 0.075 1
1 432 . 8 1 1 A 43 43 THR CB C 43 71.510 70.598 0.912 1
1 438 . 8 1 1 A 43 43 THR C C 43 173.061 173.406 -0.345 1
1 439 . 8 1 1 A 44 44 ILE N N 44 123.638 126.304 -2.666 1
1 440 . 8 1 1 A 44 44 ILE H H 44 8.859 8.616 0.243 1
1 441 . 8 1 1 A 44 44 ILE CA C 44 59.843 59.926 -0.083 1
1 442 . 8 1 1 A 44 44 ILE HA H 44 4.824 4.843 -0.019 1
1 443 . 8 1 1 A 44 44 ILE CB C 44 40.866 40.867 -0.001 1
1 455 . 8 1 1 A 44 44 ILE C C 44 174.707 175.513 -0.806 1
1 457 . 8 1 1 A 45 45 VAL N N 45 128.904 128.209 0.695 1
1 458 . 8 1 1 A 45 45 VAL H H 45 9.299 8.903 0.396 1
1 459 . 8 1 1 A 45 45 VAL CA C 45 62.119 62.634 -0.515 1
1 460 . 8 1 1 A 45 45 VAL HA H 45 4.492 4.242 0.250 1
1 461 . 8 1 1 A 45 45 VAL CB C 45 32.683 29.956 2.727 1
1 471 . 8 1 1 A 45 45 VAL C C 45 175.606 175.079 0.527 1
1 472 . 8 1 1 A 46 46 THR N N 46 117.412 122.737 -5.325 1
1 473 . 8 1 1 A 46 46 THR H H 46 8.434 9.115 -0.681 1
1 474 . 8 1 1 A 46 46 THR CA C 46 60.650 61.546 -0.896 1
1 475 . 8 1 1 A 46 46 THR HA H 46 4.505 4.455 0.050 1
1 476 . 8 1 1 A 46 46 THR CB C 46 69.432 66.127 3.305 1
1 482 . 8 1 1 A 46 46 THR C C 46 174.882 174.163 0.719 1
1 483 . 8 1 1 A 47 47 GLU N N 47 122.657 125.268 -2.611 1
1 484 . 8 1 1 A 47 47 GLU H H 47 8.052 8.379 -0.327 1
1 485 . 8 1 1 A 47 47 GLU CA C 47 57.419 57.168 0.251 1
1 486 . 8 1 1 A 47 47 GLU HA H 47 4.231 4.566 -0.335 1
1 487 . 8 1 1 A 47 47 GLU CB C 47 30.281 30.902 -0.621 1
1 491 . 8 1 1 A 47 47 GLU C C 47 175.887 176.334 -0.447 1
1 494 . 8 1 1 A 48 48 ASP N N 48 120.269 118.687 1.582 1
1 495 . 8 1 1 A 48 48 ASP H H 48 8.536 7.817 0.719 1
1 496 . 8 1 1 A 48 48 ASP CA C 48 54.396 53.120 1.276 1
1 497 . 8 1 1 A 48 48 ASP HA H 48 4.638 4.833 -0.195 1
1 498 . 8 1 1 A 48 48 ASP CB C 48 40.979 41.094 -0.115 1
1 500 . 8 1 1 A 48 48 ASP C C 48 175.709 175.631 0.078 1
1 502 . 8 1 1 A 49 49 ALA N N 49 122.506 125.012 -2.506 1
1 503 . 8 1 1 A 49 49 ALA H H 49 8.109 7.832 0.277 1
1 504 . 8 1 1 A 49 49 ALA CA C 49 52.774 50.939 1.835 1
1 505 . 8 1 1 A 49 49 ALA HA H 49 4.195 4.763 -0.568 1
1 506 . 8 1 1 A 49 49 ALA CB C 49 19.343 18.862 0.481 1
1 510 . 8 1 1 A 49 49 ALA C C 49 178.316 176.990 1.326 1
1 511 . 8 1 1 A 50 50 GLY N N 50 107.563 109.428 -1.865 1
1 512 . 8 1 1 A 50 50 GLY H H 50 8.269 8.902 -0.633 1
1 513 . 8 1 1 A 50 50 GLY CA C 50 45.288 45.300 -0.012 1
1 514 . 8 1 1 A 50 50 GLY HA3 H 50 3.993 4.098 -0.105 1
1 515 . 8 1 1 A 50 50 GLY C C 50 174.421 173.239 1.182 1
1 516 . 8 1 1 A 50 50 GLY HA2 H 50 3.993 4.091 -0.098 1
1 517 . 8 1 1 A 51 51 GLU N N 51 121.358 122.242 -0.884 1
1 518 . 8 1 1 A 51 51 GLU H H 51 8.519 8.289 0.230 1
1 519 . 8 1 1 A 51 51 GLU CA C 51 56.890 56.269 0.621 1
1 520 . 8 1 1 A 51 51 GLU HA H 51 4.309 4.293 0.016 1
1 521 . 8 1 1 A 51 51 GLU CB C 51 30.204 29.146 1.058 1
1 525 . 8 1 1 A 51 51 GLU C C 51 177.003 175.888 1.115 1
1 528 . 8 1 1 A 52 52 GLY N N 52 109.575 113.863 -4.288 1
1 529 . 8 1 1 A 52 52 GLY H H 52 8.349 8.406 -0.057 1
1 530 . 8 1 1 A 52 52 GLY CA C 52 45.571 45.533 0.038 1
1 531 . 8 1 1 A 52 52 GLY HA3 H 52 3.895 3.988 -0.093 1
1 532 . 8 1 1 A 52 52 GLY C C 52 173.666 173.698 -0.032 1
1 533 . 8 1 1 A 52 52 GLY HA2 H 52 3.810 3.956 -0.146 1
1 534 . 8 1 1 A 53 53 GLY N N 53 106.657 106.961 -0.304 1
1 535 . 8 1 1 A 53 53 GLY H H 53 7.893 7.544 0.349 1
1 536 . 8 1 1 A 53 53 GLY CA C 53 45.199 45.547 -0.348 1
1 537 . 8 1 1 A 53 53 GLY HA3 H 53 3.613 4.137 -0.524 1
1 538 . 8 1 1 A 53 53 GLY C C 53 173.414 172.289 1.125 1
1 539 . 8 1 1 A 53 53 GLY HA2 H 53 4.036 4.113 -0.077 1
1 540 . 8 1 1 A 54 54 LEU N N 54 124.121 126.783 -2.662 1
1 541 . 8 1 1 A 54 54 LEU H H 54 8.241 8.794 -0.553 1
1 542 . 8 1 1 A 54 54 LEU CA C 54 54.528 54.441 0.087 1
1 543 . 8 1 1 A 54 54 LEU HA H 54 5.056 5.034 0.022 1
1 544 . 8 1 1 A 54 54 LEU CB C 54 44.325 44.190 0.135 1
1 556 . 8 1 1 A 54 54 LEU C C 54 176.080 175.006 1.074 1
1 558 . 8 1 1 A 55 55 ASP N N 55 126.024 125.744 0.280 1
1 559 . 8 1 1 A 55 55 ASP H H 55 8.981 8.725 0.256 1
1 560 . 8 1 1 A 55 55 ASP CA C 55 54.095 52.947 1.148 1
1 561 . 8 1 1 A 55 55 ASP HA H 55 4.879 5.328 -0.449 1
1 562 . 8 1 1 A 55 55 ASP CB C 55 44.582 44.800 -0.218 1
1 564 . 8 1 1 A 55 55 ASP C C 55 173.601 173.948 -0.347 1
1 566 . 8 1 1 A 56 56 LEU N N 56 125.098 124.640 0.458 1
1 567 . 8 1 1 A 56 56 LEU H H 56 8.300 8.725 -0.425 1
1 568 . 8 1 1 A 56 56 LEU CA C 56 53.221 54.172 -0.951 1
1 569 . 8 1 1 A 56 56 LEU HA H 56 5.422 5.061 0.361 1
1 570 . 8 1 1 A 56 56 LEU CB C 56 46.028 45.699 0.329 1
1 582 . 8 1 1 A 56 56 LEU C C 56 175.700 174.586 1.114 1
1 584 . 8 1 1 A 57 57 ALA N N 57 125.664 126.841 -1.177 1
1 585 . 8 1 1 A 57 57 ALA H H 57 8.840 8.702 0.138 1
1 586 . 8 1 1 A 57 57 ALA CA C 57 51.851 50.544 1.307 1
1 587 . 8 1 1 A 57 57 ALA HA H 57 4.600 5.199 -0.599 1
1 588 . 8 1 1 A 57 57 ALA CB C 57 22.862 22.946 -0.084 1
1 592 . 8 1 1 A 57 57 ALA C C 57 174.504 175.835 -1.331 1
1 593 . 8 1 1 A 58 58 ILE N N 58 119.429 121.003 -1.574 1
1 594 . 8 1 1 A 58 58 ILE H H 58 8.617 8.743 -0.126 1
1 595 . 8 1 1 A 58 58 ILE CA C 58 60.143 59.819 0.324 1
1 596 . 8 1 1 A 58 58 ILE HA H 58 5.272 4.919 0.353 1
1 597 . 8 1 1 A 58 58 ILE CB C 58 41.068 40.907 0.161 1
1 609 . 8 1 1 A 58 58 ILE C C 58 175.328 174.918 0.410 1
1 611 . 8 1 1 A 59 59 GLU N N 59 128.665 125.337 3.328 1
1 612 . 8 1 1 A 59 59 GLU H H 59 9.315 8.899 0.416 1
1 613 . 8 1 1 A 59 59 GLU CA C 59 54.166 54.806 -0.640 1
1 614 . 8 1 1 A 59 59 GLU HA H 59 4.920 5.350 -0.430 1
1 615 . 8 1 1 A 59 59 GLU CB C 59 32.698 32.933 -0.235 1
1 619 . 8 1 1 A 59 59 GLU C C 59 175.108 176.435 -1.327 1
1 622 . 8 1 1 A 60 60 GLY N N 60 110.929 109.445 1.484 1
1 623 . 8 1 1 A 60 60 GLY H H 60 8.427 8.334 0.093 1
1 624 . 8 1 1 A 60 60 GLY CA C 60 45.608 45.199 0.409 1
1 625 . 8 1 1 A 60 60 GLY HA3 H 60 3.927 4.024 -0.097 1
1 626 . 8 1 1 A 60 60 GLY C C 60 171.379 174.204 -2.825 1
1 627 . 8 1 1 A 60 60 GLY HA2 H 60 3.531 3.862 -0.331 1
1 628 . 8 1 1 A 61 61 PRO CA C 61 64.103 63.892 0.211 1
1 629 . 8 1 1 A 61 61 PRO HA H 61 4.270 4.398 -0.128 1
1 630 . 8 1 1 A 61 61 PRO CB C 61 32.206 31.911 0.295 1
1 636 . 8 1 1 A 61 61 PRO C C 61 176.075 176.029 0.046 1
1 640 . 8 1 1 A 62 62 SER N N 62 108.474 112.068 -3.594 1
1 641 . 8 1 1 A 62 62 SER H H 62 7.099 7.594 -0.495 1
1 642 . 8 1 1 A 62 62 SER CA C 62 56.398 57.201 -0.803 1
1 643 . 8 1 1 A 62 62 SER HA H 62 4.655 4.775 -0.120 1
1 644 . 8 1 1 A 62 62 SER CB C 62 67.457 65.859 1.598 1
1 646 . 8 1 1 A 62 62 SER C C 62 172.805 172.961 -0.156 1
1 648 . 8 1 1 A 63 63 LYS N N 63 122.679 125.651 -2.972 1
1 649 . 8 1 1 A 63 63 LYS H H 63 8.653 8.572 0.081 1
1 650 . 8 1 1 A 63 63 LYS CA C 63 55.822 56.761 -0.939 1
1 651 . 8 1 1 A 63 63 LYS HA H 63 4.449 4.367 0.082 1
1 652 . 8 1 1 A 63 63 LYS CB C 63 31.384 32.454 -1.070 1
1 660 . 8 1 1 A 63 63 LYS C C 63 175.601 175.658 -0.057 1
1 665 . 8 1 1 A 64 64 ALA N N 64 130.710 128.920 1.790 1
1 666 . 8 1 1 A 64 64 ALA H H 64 8.690 8.657 0.033 1
1 667 . 8 1 1 A 64 64 ALA CA C 64 51.425 50.533 0.892 1
1 668 . 8 1 1 A 64 64 ALA HA H 64 4.578 5.091 -0.513 1
1 669 . 8 1 1 A 64 64 ALA CB C 64 19.803 21.664 -1.861 1
1 673 . 8 1 1 A 64 64 ALA C C 64 176.395 177.343 -0.948 1
1 674 . 8 1 1 A 65 65 GLU N N 65 123.534 119.958 3.576 1
1 675 . 8 1 1 A 65 65 GLU H H 65 8.397 8.699 -0.302 1
1 676 . 8 1 1 A 65 65 GLU CA C 65 56.854 56.075 0.779 1
1 677 . 8 1 1 A 65 65 GLU HA H 65 4.278 4.835 -0.557 1
1 678 . 8 1 1 A 65 65 GLU CB C 65 30.346 31.790 -1.444 1
1 682 . 8 1 1 A 65 65 GLU C C 65 176.381 175.866 0.515 1
1 685 . 8 1 1 A 66 66 ILE N N 66 124.380 121.165 3.215 1
1 686 . 8 1 1 A 66 66 ILE H H 66 8.541 8.468 0.073 1
1 687 . 8 1 1 A 66 66 ILE CA C 66 60.568 60.373 0.195 1
1 688 . 8 1 1 A 66 66 ILE HA H 66 4.865 4.959 -0.094 1
1 689 . 8 1 1 A 66 66 ILE CB C 66 41.804 41.337 0.467 1
1 701 . 8 1 1 A 66 66 ILE C C 66 175.421 174.168 1.253 1
1 703 . 8 1 1 A 67 67 SER N N 67 122.057 122.924 -0.867 1
1 704 . 8 1 1 A 67 67 SER H H 67 9.035 8.794 0.241 1
1 705 . 8 1 1 A 67 67 SER CA C 67 56.908 56.810 0.098 1
1 706 . 8 1 1 A 67 67 SER HA H 67 4.729 4.895 -0.166 1
1 707 . 8 1 1 A 67 67 SER CB C 67 64.980 63.962 1.018 1
1 709 . 8 1 1 A 67 67 SER C C 67 172.294 172.423 -0.129 1
1 711 . 8 1 1 A 68 68 CYS N N 68 124.699 128.115 -3.416 1
1 712 . 8 1 1 A 68 68 CYS H H 68 8.732 9.258 -0.526 1
1 713 . 8 1 1 A 68 68 CYS CA C 68 57.310 57.240 0.070 1
1 714 . 8 1 1 A 68 68 CYS HA H 68 5.038 5.247 -0.209 1
1 715 . 8 1 1 A 68 68 CYS CB C 68 28.380 30.239 -1.859 1
1 717 . 8 1 1 A 68 68 CYS C C 68 173.135 173.900 -0.765 1
1 719 . 8 1 1 A 69 69 ILE N N 69 128.680 124.806 3.874 1
1 720 . 8 1 1 A 69 69 ILE H H 69 8.757 8.568 0.189 1
1 721 . 8 1 1 A 69 69 ILE CA C 69 59.153 60.102 -0.949 1
1 722 . 8 1 1 A 69 69 ILE HA H 69 4.350 4.651 -0.301 1
1 723 . 8 1 1 A 69 69 ILE CB C 69 40.750 41.988 -1.238 1
1 735 . 8 1 1 A 69 69 ILE C C 69 174.363 173.997 0.366 1
1 737 . 8 1 1 A 70 70 ASP N N 70 126.290 126.682 -0.392 1
1 738 . 8 1 1 A 70 70 ASP H H 70 8.596 8.631 -0.035 1
1 739 . 8 1 1 A 70 70 ASP CA C 70 53.671 54.240 -0.569 1
1 740 . 8 1 1 A 70 70 ASP HA H 70 4.892 4.873 0.019 1
1 741 . 8 1 1 A 70 70 ASP CB C 70 41.069 41.896 -0.827 1
1 743 . 8 1 1 A 70 70 ASP C C 70 176.812 176.254 0.558 1
1 745 . 8 1 1 A 71 71 ASN N N 71 125.163 122.839 2.324 1
1 746 . 8 1 1 A 71 71 ASN H H 71 8.745 9.273 -0.528 1
1 747 . 8 1 1 A 71 71 ASN CA C 71 54.626 52.388 2.238 1
1 748 . 8 1 1 A 71 71 ASN HA H 71 4.647 5.000 -0.353 1
1 749 . 8 1 1 A 71 71 ASN CB C 71 38.688 40.324 -1.636 1
1 754 . 8 1 1 A 71 71 ASN C C 71 175.657 176.698 -1.041 1
1 756 . 8 1 1 A 72 72 LYS N N 72 114.425 123.275 -8.850 1
1 757 . 8 1 1 A 72 72 LYS H H 72 9.407 8.791 0.616 1
1 758 . 8 1 1 A 72 72 LYS CA C 72 57.535 58.289 -0.754 1
1 759 . 8 1 1 A 72 72 LYS HA H 72 4.028 4.177 -0.149 1
1 760 . 8 1 1 A 72 72 LYS CB C 72 28.393 32.438 -4.045 1
1 768 . 8 1 1 A 72 72 LYS C C 72 175.123 178.020 -2.897 1
1 773 . 8 1 1 A 73 73 ASP N N 73 117.581 115.358 2.223 1
1 774 . 8 1 1 A 73 73 ASP H H 73 7.881 8.036 -0.155 1
1 775 . 8 1 1 A 73 73 ASP CA C 73 52.274 54.079 -1.805 1
1 776 . 8 1 1 A 73 73 ASP HA H 73 4.769 4.527 0.242 1
1 777 . 8 1 1 A 73 73 ASP CB C 73 41.210 41.525 -0.315 1
1 779 . 8 1 1 A 73 73 ASP C C 73 177.197 176.341 0.856 1
1 781 . 8 1 1 A 74 74 GLY N N 74 109.385 108.281 1.104 1
1 782 . 8 1 1 A 74 74 GLY H H 74 8.781 7.896 0.885 1
1 783 . 8 1 1 A 74 74 GLY CA C 74 45.179 45.022 0.157 1
1 784 . 8 1 1 A 74 74 GLY HA3 H 74 3.673 4.058 -0.385 1
1 785 . 8 1 1 A 74 74 GLY C C 74 173.671 173.875 -0.204 1
1 786 . 8 1 1 A 74 74 GLY HA2 H 74 4.469 4.052 0.417 1
1 787 . 8 1 1 A 75 75 THR N N 75 110.220 110.654 -0.434 1
1 788 . 8 1 1 A 75 75 THR H H 75 8.179 7.690 0.489 1
1 789 . 8 1 1 A 75 75 THR CA C 75 59.843 59.748 0.095 1
1 790 . 8 1 1 A 75 75 THR HA H 75 5.678 4.955 0.723 1
1 791 . 8 1 1 A 75 75 THR CB C 75 73.810 71.853 1.957 1
1 797 . 8 1 1 A 75 75 THR C C 75 173.912 173.270 0.642 1
1 798 . 8 1 1 A 76 76 CYS N N 76 117.252 119.575 -2.323 1
1 799 . 8 1 1 A 76 76 CYS H H 76 9.295 8.820 0.475 1
1 800 . 8 1 1 A 76 76 CYS CA C 76 56.716 57.285 -0.569 1
1 801 . 8 1 1 A 76 76 CYS HA H 76 5.517 5.276 0.241 1
1 802 . 8 1 1 A 76 76 CYS CB C 76 31.176 30.598 0.578 1
1 804 . 8 1 1 A 76 76 CYS C C 76 174.083 173.281 0.802 1
1 806 . 8 1 1 A 77 77 THR N N 77 121.477 121.100 0.377 1
1 807 . 8 1 1 A 77 77 THR H H 77 9.137 8.793 0.344 1
1 808 . 8 1 1 A 77 77 THR CA C 77 62.565 61.672 0.893 1
1 809 . 8 1 1 A 77 77 THR HA H 77 4.592 4.627 -0.035 1
1 810 . 8 1 1 A 77 77 THR CB C 77 70.447 68.847 1.600 1
1 816 . 8 1 1 A 77 77 THR C C 77 173.469 173.473 -0.004 1
1 817 . 8 1 1 A 78 78 VAL N N 78 131.586 127.571 4.015 1
1 818 . 8 1 1 A 78 78 VAL H H 78 9.099 8.588 0.511 1
1 819 . 8 1 1 A 78 78 VAL CA C 78 60.604 61.275 -0.671 1
1 820 . 8 1 1 A 78 78 VAL HA H 78 4.672 4.700 -0.028 1
1 821 . 8 1 1 A 78 78 VAL CB C 78 32.061 31.934 0.127 1
1 831 . 8 1 1 A 78 78 VAL C C 78 174.618 174.968 -0.350 1
1 832 . 8 1 1 A 79 79 THR N N 79 120.071 123.489 -3.418 1
1 833 . 8 1 1 A 79 79 THR H H 79 8.782 8.539 0.243 1
1 834 . 8 1 1 A 79 79 THR CA C 79 59.685 61.905 -2.220 1
1 835 . 8 1 1 A 79 79 THR HA H 79 5.424 5.143 0.281 1
1 836 . 8 1 1 A 79 79 THR CB C 79 71.374 70.791 0.583 1
1 842 . 8 1 1 A 79 79 THR C C 79 173.250 173.698 -0.448 1
1 843 . 8 1 1 A 80 80 TYR N N 80 120.212 121.234 -1.022 1
1 844 . 8 1 1 A 80 80 TYR H H 80 9.132 8.439 0.693 1
1 845 . 8 1 1 A 80 80 TYR CA C 80 55.554 55.935 -0.381 1
1 846 . 8 1 1 A 80 80 TYR HA H 80 5.686 5.600 0.086 1
1 847 . 8 1 1 A 80 80 TYR CB C 80 42.143 42.277 -0.134 1
1 857 . 8 1 1 A 80 80 TYR C C 80 172.856 172.621 0.235 1
1 859 . 8 1 1 A 81 81 LEU N N 81 121.355 123.215 -1.860 1
1 860 . 8 1 1 A 81 81 LEU H H 81 7.729 8.904 -1.175 1
1 861 . 8 1 1 A 81 81 LEU CA C 81 50.912 51.296 -0.384 1
1 862 . 8 1 1 A 81 81 LEU HA H 81 4.991 4.648 0.343 1
1 863 . 8 1 1 A 81 81 LEU CB C 81 43.636 45.046 -1.410 1
1 875 . 8 1 1 A 81 81 LEU C C 81 172.982 174.954 -1.972 1
1 877 . 8 1 1 A 82 82 PRO CA C 82 61.629 62.678 -1.049 1
1 878 . 8 1 1 A 82 82 PRO HA H 82 4.587 4.766 -0.179 1
1 879 . 8 1 1 A 82 82 PRO CB C 82 32.091 32.797 -0.706 1
1 885 . 8 1 1 A 82 82 PRO C C 82 177.683 177.034 0.649 1
1 889 . 8 1 1 A 83 83 THR N N 83 112.637 113.820 -1.183 1
1 890 . 8 1 1 A 83 83 THR H H 83 8.438 8.908 -0.470 1
1 891 . 8 1 1 A 83 83 THR CA C 83 62.207 62.773 -0.566 1
1 892 . 8 1 1 A 83 83 THR HA H 83 4.305 4.442 -0.137 1
1 893 . 8 1 1 A 83 83 THR CB C 83 69.155 69.515 -0.360 1
1 899 . 8 1 1 A 83 83 THR C C 83 173.582 174.578 -0.996 1
1 900 . 8 1 1 A 84 84 LEU N N 84 118.186 120.081 -1.895 1
1 901 . 8 1 1 A 84 84 LEU H H 84 6.839 7.405 -0.566 1
1 902 . 8 1 1 A 84 84 LEU CA C 84 51.513 51.559 -0.046 1
1 903 . 8 1 1 A 84 84 LEU HA H 84 4.976 4.900 0.076 1
1 904 . 8 1 1 A 84 84 LEU CB C 84 45.838 45.601 0.237 1
1 916 . 8 1 1 A 84 84 LEU C C 84 175.119 174.482 0.637 1
1 918 . 8 1 1 A 85 85 PRO CA C 85 62.660 63.278 -0.618 1
1 919 . 8 1 1 A 85 85 PRO HA H 85 4.347 4.911 -0.564 1
1 920 . 8 1 1 A 85 85 PRO CB C 85 32.801 31.755 1.046 1
1 926 . 8 1 1 A 85 85 PRO C C 85 174.117 176.177 -2.060 1
1 930 . 8 1 1 A 86 86 GLY N N 86 106.704 108.422 -1.718 1
1 931 . 8 1 1 A 86 86 GLY H H 86 9.065 8.054 1.011 1
1 932 . 8 1 1 A 86 86 GLY CA C 86 44.520 45.473 -0.953 1
1 933 . 8 1 1 A 86 86 GLY HA3 H 86 3.838 4.090 -0.252 1
1 934 . 8 1 1 A 86 86 GLY C C 86 171.468 172.690 -1.222 1
1 935 . 8 1 1 A 86 86 GLY HA2 H 86 4.408 3.999 0.409 1
1 936 . 8 1 1 A 87 87 ASP N N 87 120.573 119.299 1.274 1
1 937 . 8 1 1 A 87 87 ASP H H 87 8.275 8.480 -0.205 1
1 938 . 8 1 1 A 87 87 ASP CA C 87 53.500 53.357 0.143 1
1 939 . 8 1 1 A 87 87 ASP HA H 87 5.498 4.848 0.650 1
1 940 . 8 1 1 A 87 87 ASP CB C 87 40.877 40.738 0.139 1
1 942 . 8 1 1 A 87 87 ASP C C 87 176.069 174.952 1.117 1
1 944 . 8 1 1 A 88 88 TYR N N 88 124.115 124.813 -0.698 1
1 945 . 8 1 1 A 88 88 TYR H H 88 9.510 8.582 0.928 1
1 946 . 8 1 1 A 88 88 TYR CA C 88 56.667 57.665 -0.998 1
1 947 . 8 1 1 A 88 88 TYR HA H 88 4.983 4.943 0.040 1
1 948 . 8 1 1 A 88 88 TYR CB C 88 39.633 40.037 -0.404 1
1 958 . 8 1 1 A 88 88 TYR C C 88 174.533 175.295 -0.762 1
1 960 . 8 1 1 A 89 89 SER N N 89 118.331 120.841 -2.510 1
1 961 . 8 1 1 A 89 89 SER H H 89 9.200 9.055 0.145 1
1 962 . 8 1 1 A 89 89 SER CA C 89 56.737 58.248 -1.511 1
1 963 . 8 1 1 A 89 89 SER HA H 89 5.346 4.878 0.468 1
1 964 . 8 1 1 A 89 89 SER CB C 89 64.421 63.223 1.198 1
1 966 . 8 1 1 A 89 89 SER C C 89 173.462 173.522 -0.060 1
1 968 . 8 1 1 A 90 90 ILE N N 90 127.805 127.278 0.527 1
1 969 . 8 1 1 A 90 90 ILE H H 90 9.536 8.967 0.569 1
1 970 . 8 1 1 A 90 90 ILE CA C 90 61.209 61.530 -0.321 1
1 971 . 8 1 1 A 90 90 ILE HA H 90 4.505 4.397 0.108 1
1 972 . 8 1 1 A 90 90 ILE CB C 90 39.225 37.850 1.375 1
1 984 . 8 1 1 A 90 90 ILE C C 90 174.259 175.356 -1.097 1
1 986 . 8 1 1 A 91 91 LEU N N 91 129.968 128.120 1.848 1
1 987 . 8 1 1 A 91 91 LEU H H 91 9.354 8.911 0.443 1
1 988 . 8 1 1 A 91 91 LEU CA C 91 55.510 53.859 1.651 1
1 989 . 8 1 1 A 91 91 LEU HA H 91 4.774 5.003 -0.229 1
1 990 . 8 1 1 A 91 91 LEU CB C 91 42.674 43.532 -0.858 1
1 1002 . 8 1 1 A 91 91 LEU C C 91 175.517 175.252 0.265 1
1 1004 . 8 1 1 A 92 92 VAL N N 92 124.859 126.355 -1.496 1
1 1005 . 8 1 1 A 92 92 VAL H H 92 9.431 9.216 0.215 1
1 1006 . 8 1 1 A 92 92 VAL CA C 92 61.488 60.953 0.535 1
1 1007 . 8 1 1 A 92 92 VAL HA H 92 4.626 4.954 -0.328 1
1 1008 . 8 1 1 A 92 92 VAL CB C 92 33.437 34.268 -0.831 1
1 1018 . 8 1 1 A 92 92 VAL C C 92 173.589 174.802 -1.213 1
1 1019 . 8 1 1 A 93 93 LYS N N 93 123.909 126.576 -2.667 1
1 1020 . 8 1 1 A 93 93 LYS H H 93 8.660 8.518 0.142 1
1 1021 . 8 1 1 A 93 93 LYS CA C 93 53.953 54.284 -0.331 1
1 1022 . 8 1 1 A 93 93 LYS HA H 93 5.017 4.874 0.143 1
1 1023 . 8 1 1 A 93 93 LYS CB C 93 36.475 35.423 1.052 1
1 1031 . 8 1 1 A 93 93 LYS C C 93 174.746 174.798 -0.052 1
1 1036 . 8 1 1 A 94 94 TYR N N 94 120.499 123.988 -3.489 1
1 1037 . 8 1 1 A 94 94 TYR H H 94 8.821 9.129 -0.308 1
1 1038 . 8 1 1 A 94 94 TYR CA C 94 56.438 57.590 -1.152 1
1 1039 . 8 1 1 A 94 94 TYR HA H 94 5.161 4.883 0.278 1
1 1040 . 8 1 1 A 94 94 TYR CB C 94 41.931 41.548 0.383 1
1 1050 . 8 1 1 A 94 94 TYR C C 94 176.635 174.976 1.659 1
1 1052 . 8 1 1 A 95 95 ASN N N 95 128.155 125.790 2.365 1
1 1053 . 8 1 1 A 95 95 ASN H H 95 8.872 8.650 0.222 1
1 1054 . 8 1 1 A 95 95 ASN CA C 95 54.360 53.879 0.481 1
1 1055 . 8 1 1 A 95 95 ASN HA H 95 4.215 4.168 0.047 1
1 1056 . 8 1 1 A 95 95 ASN CB C 95 36.735 37.114 -0.379 1
1 1061 . 8 1 1 A 95 95 ASN C C 95 174.592 173.817 0.775 1
1 1063 . 8 1 1 A 96 96 ASP N N 96 110.440 110.825 -0.385 1
1 1064 . 8 1 1 A 96 96 ASP H H 96 9.304 8.411 0.893 1
1 1065 . 8 1 1 A 96 96 ASP CA C 96 55.920 55.580 0.340 1
1 1066 . 8 1 1 A 96 96 ASP HA H 96 4.030 4.164 -0.134 1
1 1067 . 8 1 1 A 96 96 ASP CB C 96 40.704 39.343 1.361 1
1 1069 . 8 1 1 A 96 96 ASP C C 96 174.657 174.508 0.149 1
1 1071 . 8 1 1 A 97 97 LYS N N 97 118.806 113.590 5.216 1
1 1072 . 8 1 1 A 97 97 LYS H H 97 7.482 7.397 0.085 1
1 1073 . 8 1 1 A 97 97 LYS CA C 97 54.378 54.791 -0.413 1
1 1074 . 8 1 1 A 97 97 LYS HA H 97 4.715 4.834 -0.119 1
1 1075 . 8 1 1 A 97 97 LYS CB C 97 35.127 35.575 -0.448 1
1 1083 . 8 1 1 A 97 97 LYS C C 97 176.499 174.859 1.640 1
1 1088 . 8 1 1 A 98 98 HIS N N 98 124.063 120.472 3.591 1
1 1089 . 8 1 1 A 98 98 HIS H H 98 8.795 8.920 -0.125 1
1 1090 . 8 1 1 A 98 98 HIS CA C 98 58.870 56.910 1.960 1
1 1091 . 8 1 1 A 98 98 HIS HA H 98 4.496 4.710 -0.214 1
1 1092 . 8 1 1 A 98 98 HIS CB C 98 32.178 30.135 2.043 1
1 1098 . 8 1 1 A 98 98 HIS C C 98 177.720 175.747 1.973 1
1 1100 . 8 1 1 A 99 99 ILE N N 99 120.049 118.665 1.384 1
1 1101 . 8 1 1 A 99 99 ILE H H 99 8.380 8.605 -0.225 1
1 1102 . 8 1 1 A 99 99 ILE CA C 99 60.674 59.177 1.497 1
1 1103 . 8 1 1 A 99 99 ILE HA H 99 4.696 4.651 0.045 1
1 1104 . 8 1 1 A 99 99 ILE CB C 99 35.539 38.232 -2.693 1
1 1116 . 8 1 1 A 99 99 ILE C C 99 173.419 174.510 -1.091 1
1 1118 . 8 1 1 A 100 100 PRO CA C 100 65.343 63.291 2.052 1
1 1119 . 8 1 1 A 100 100 PRO HA H 100 4.255 4.415 -0.160 1
1 1120 . 8 1 1 A 100 100 PRO CB C 100 31.128 30.928 0.200 1
1 1126 . 8 1 1 A 100 100 PRO C C 100 176.734 177.413 -0.679 1
1 1130 . 8 1 1 A 101 101 GLY N N 101 113.906 113.279 0.627 1
1 1131 . 8 1 1 A 101 101 GLY H H 101 8.167 8.354 -0.187 1
1 1132 . 8 1 1 A 101 101 GLY CA C 101 44.668 45.200 -0.532 1
1 1133 . 8 1 1 A 101 101 GLY HA3 H 101 3.120 4.117 -0.997 1
1 1134 . 8 1 1 A 101 101 GLY C C 101 171.985 174.238 -2.253 1
1 1135 . 8 1 1 A 101 101 GLY HA2 H 101 4.140 4.026 0.114 1
1 1136 . 8 1 1 A 102 102 SER N N 102 112.418 117.191 -4.773 1
1 1137 . 8 1 1 A 102 102 SER H H 102 7.641 7.348 0.293 1
1 1138 . 8 1 1 A 102 102 SER CA C 102 54.770 55.851 -1.081 1
1 1139 . 8 1 1 A 102 102 SER HA H 102 4.107 3.996 0.111 1
1 1140 . 8 1 1 A 102 102 SER CB C 102 62.454 63.606 -1.152 1
1 1142 . 8 1 1 A 102 102 SER C C 102 174.682 171.989 2.693 1
1 1144 . 8 1 1 A 103 103 PRO CA C 103 62.301 62.245 0.056 1
1 1145 . 8 1 1 A 103 103 PRO HA H 103 5.363 4.629 0.734 1
1 1146 . 8 1 1 A 103 103 PRO CB C 103 33.964 32.048 1.916 1
1 1152 . 8 1 1 A 103 103 PRO C C 103 176.438 175.902 0.536 1
1 1156 . 8 1 1 A 104 104 PHE N N 104 126.067 120.462 5.605 1
1 1157 . 8 1 1 A 104 104 PHE H H 104 9.449 8.102 1.347 1
1 1158 . 8 1 1 A 104 104 PHE CA C 104 57.102 57.593 -0.491 1
1 1159 . 8 1 1 A 104 104 PHE HA H 104 4.621 4.920 -0.299 1
1 1160 . 8 1 1 A 104 104 PHE CB C 104 40.656 40.880 -0.224 1
1 1170 . 8 1 1 A 104 104 PHE C C 104 176.313 175.810 0.503 1
1 1172 . 8 1 1 A 105 105 THR N N 105 118.402 116.690 1.712 1
1 1173 . 8 1 1 A 105 105 THR H H 105 8.842 8.941 -0.099 1
1 1174 . 8 1 1 A 105 105 THR CA C 105 62.018 61.422 0.596 1
1 1175 . 8 1 1 A 105 105 THR HA H 105 5.153 5.148 0.005 1
1 1176 . 8 1 1 A 105 105 THR CB C 105 70.095 70.132 -0.037 1
1 1182 . 8 1 1 A 105 105 THR C C 105 172.525 172.993 -0.468 1
1 1183 . 8 1 1 A 106 106 ALA N N 106 131.132 129.290 1.842 1
1 1184 . 8 1 1 A 106 106 ALA H H 106 9.192 8.599 0.593 1
1 1185 . 8 1 1 A 106 106 ALA CA C 106 50.187 50.643 -0.456 1
1 1186 . 8 1 1 A 106 106 ALA HA H 106 4.435 5.125 -0.690 1
1 1187 . 8 1 1 A 106 106 ALA CB C 106 21.021 20.242 0.779 1
1 1191 . 8 1 1 A 106 106 ALA C C 106 176.136 176.336 -0.200 1
1 1192 . 8 1 1 A 107 107 LYS N N 107 122.751 123.817 -1.066 1
1 1193 . 8 1 1 A 107 107 LYS H H 107 7.746 8.669 -0.923 1
1 1194 . 8 1 1 A 107 107 LYS CA C 107 55.652 55.716 -0.064 1
1 1195 . 8 1 1 A 107 107 LYS HA H 107 4.797 4.576 0.221 1
1 1196 . 8 1 1 A 107 107 LYS CB C 107 32.606 31.396 1.210 1
1 1204 . 8 1 1 A 107 107 LYS C C 107 174.648 175.543 -0.895 1
1 1209 . 8 1 1 A 108 108 ILE N N 108 127.629 125.620 2.009 1
1 1210 . 8 1 1 A 108 108 ILE H H 108 9.024 8.574 0.450 1
1 1211 . 8 1 1 A 108 108 ILE CA C 108 56.801 61.420 -4.619 1
1 1212 . 8 1 1 A 108 108 ILE HA H 108 4.688 4.717 -0.029 1
1 1213 . 8 1 1 A 108 108 ILE CB C 108 35.101 38.326 -3.225 1
1 1225 . 8 1 1 A 108 108 ILE C C 108 178.159 175.788 2.371 1
1 1227 . 8 1 1 A 109 109 THR N N 109 121.563 117.459 4.104 1
1 1228 . 8 1 1 A 109 109 THR H H 109 8.861 8.690 0.171 1
1 1229 . 8 1 1 A 109 109 THR CA C 109 60.745 59.839 0.906 1
1 1230 . 8 1 1 A 109 109 THR HA H 109 4.778 5.063 -0.285 1
1 1231 . 8 1 1 A 109 109 THR CB C 109 71.067 71.614 -0.547 1
1 1237 . 8 1 1 A 109 109 THR C C 109 173.421 172.737 0.684 1
1 1238 . 8 1 1 A 110 110 ASP N N 110 119.526 120.377 -0.851 1
1 1239 . 8 1 1 A 110 110 ASP H H 110 8.631 8.788 -0.157 1
1 1240 . 8 1 1 A 110 110 ASP CA C 110 53.971 52.443 1.528 1
1 1241 . 8 1 1 A 110 110 ASP HA H 110 4.729 5.462 -0.733 1
1 1242 . 8 1 1 A 110 110 ASP CB C 110 42.087 43.525 -1.438 1
1 1244 . 8 1 1 A 110 110 ASP C C 110 176.124 174.926 1.198 1
1 1246 . 8 1 1 A 111 111 ASP N N 111 122.287 124.337 -2.050 1
1 1247 . 8 1 1 A 111 111 ASP H H 111 8.638 8.901 -0.263 1
1 1248 . 8 1 1 A 111 111 ASP CA C 111 54.042 52.631 1.411 1
1 1249 . 8 1 1 A 111 111 ASP HA H 111 4.644 5.009 -0.365 1
1 1250 . 8 1 1 A 111 111 ASP CB C 111 41.218 41.760 -0.542 1
1 1252 . 8 1 1 A 111 111 ASP C C 111 176.668 175.357 1.311 1
1 1254 . 8 1 1 A 112 112 SER N N 112 117.157 117.862 -0.705 1
1 1255 . 8 1 1 A 112 112 SER H H 112 8.416 7.552 0.864 1
1 1256 . 8 1 1 A 112 112 SER CA C 112 59.277 57.511 1.766 1
1 1257 . 8 1 1 A 112 112 SER HA H 112 4.348 4.515 -0.167 1
1 1258 . 8 1 1 A 112 112 SER CB C 112 63.943 61.523 2.420 1
1 1260 . 8 1 1 A 112 112 SER C C 112 174.721 174.901 -0.180 1
1 1262 . 8 1 1 A 113 113 ARG N N 113 122.178 123.818 -1.640 1
1 1263 . 8 1 1 A 113 113 ARG H H 113 8.238 8.064 0.174 1
1 1264 . 8 1 1 A 113 113 ARG CA C 113 56.195 58.510 -2.315 1
1 1265 . 8 1 1 A 113 113 ARG HA H 113 4.347 4.127 0.220 1
1 1266 . 8 1 1 A 113 113 ARG CB C 113 30.470 29.997 0.473 1
1 1271 . 8 1 1 A 113 113 ARG C C 113 176.207 176.359 -0.152 1
1 1275 . 8 1 1 A 114 114 ARG N N 114 122.696 120.686 2.010 1
1 1276 . 8 1 1 A 114 114 ARG H H 114 8.338 7.553 0.785 1
1 1277 . 8 1 1 A 114 114 ARG CA C 114 56.164 56.801 -0.637 1
1 1278 . 8 1 1 A 114 114 ARG HA H 114 4.390 4.172 0.218 1
1 1279 . 8 1 1 A 114 114 ARG CB C 114 30.679 30.943 -0.264 1
1 1285 . 8 1 1 A 114 114 ARG C C 114 175.468 175.393 0.075 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 44.699 45.661 -0.962 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.124 4.015 0.109 1
1 3 . 9 1 1 A 7 7 GLY HA2 H 7 4.124 4.014 0.110 1
1 4 . 9 1 1 A 8 8 PRO CA C 8 63.321 62.817 0.504 1
1 5 . 9 1 1 A 8 8 PRO HA H 8 4.418 4.514 -0.096 1
1 6 . 9 1 1 A 8 8 PRO CB C 8 32.104 31.883 0.221 1
1 12 . 9 1 1 A 8 8 PRO C C 8 177.159 176.723 0.436 1
1 16 . 9 1 1 A 9 9 GLU N N 9 120.837 122.924 -2.087 1
1 17 . 9 1 1 A 9 9 GLU H H 9 8.612 8.412 0.200 1
1 18 . 9 1 1 A 9 9 GLU CA C 9 56.642 56.657 -0.015 1
1 19 . 9 1 1 A 9 9 GLU HA H 9 4.282 4.236 0.046 1
1 20 . 9 1 1 A 9 9 GLU CB C 9 30.181 29.578 0.603 1
1 24 . 9 1 1 A 9 9 GLU C C 9 176.387 176.387 0.000 1
1 27 . 9 1 1 A 10 10 SER N N 10 117.776 119.999 -2.223 1
1 28 . 9 1 1 A 10 10 SER H H 10 8.264 8.493 -0.229 1
1 29 . 9 1 1 A 10 10 SER CA C 10 56.382 57.933 -1.551 1
1 30 . 9 1 1 A 10 10 SER HA H 10 4.763 4.438 0.325 1
1 31 . 9 1 1 A 10 10 SER CB C 10 63.575 63.577 -0.002 1
1 33 . 9 1 1 A 10 10 SER C C 10 172.958 172.889 0.069 1
1 35 . 9 1 1 A 11 11 PRO CA C 11 63.404 62.762 0.642 1
1 36 . 9 1 1 A 11 11 PRO HA H 11 4.432 4.651 -0.219 1
1 37 . 9 1 1 A 11 11 PRO CB C 11 31.958 32.253 -0.295 1
1 43 . 9 1 1 A 11 11 PRO C C 11 176.922 175.538 1.384 1
1 47 . 9 1 1 A 12 12 LEU N N 12 121.245 123.241 -1.996 1
1 48 . 9 1 1 A 12 12 LEU H H 12 8.172 8.387 -0.215 1
1 49 . 9 1 1 A 12 12 LEU CA C 12 55.521 53.247 2.274 1
1 50 . 9 1 1 A 12 12 LEU HA H 12 4.236 4.917 -0.681 1
1 51 . 9 1 1 A 12 12 LEU CB C 12 42.138 44.666 -2.528 1
1 63 . 9 1 1 A 12 12 LEU C C 12 177.236 174.988 2.248 1
1 65 . 9 1 1 A 13 13 GLN N N 13 120.086 123.638 -3.552 1
1 66 . 9 1 1 A 13 13 GLN H H 13 8.098 8.452 -0.354 1
1 67 . 9 1 1 A 13 13 GLN CA C 13 55.785 53.537 2.248 1
1 68 . 9 1 1 A 13 13 GLN HA H 13 4.220 4.538 -0.318 1
1 69 . 9 1 1 A 13 13 GLN CB C 13 29.628 33.148 -3.520 1
1 76 . 9 1 1 A 13 13 GLN C C 13 175.243 174.293 0.950 1
1 79 . 9 1 1 A 14 14 PHE N N 14 120.461 117.847 2.614 1
1 80 . 9 1 1 A 14 14 PHE H H 14 8.056 8.574 -0.518 1
1 81 . 9 1 1 A 14 14 PHE CA C 14 57.739 56.074 1.665 1
1 82 . 9 1 1 A 14 14 PHE HA H 14 4.545 5.074 -0.529 1
1 83 . 9 1 1 A 14 14 PHE CB C 14 39.825 41.694 -1.869 1
1 95 . 9 1 1 A 14 14 PHE C C 14 175.022 175.341 -0.319 1
1 97 . 9 1 1 A 15 15 TYR N N 15 121.213 122.327 -1.114 1
1 98 . 9 1 1 A 15 15 TYR H H 15 8.004 8.870 -0.866 1
1 99 . 9 1 1 A 15 15 TYR CA C 15 57.756 58.521 -0.765 1
1 100 . 9 1 1 A 15 15 TYR HA H 15 4.506 4.815 -0.309 1
1 101 . 9 1 1 A 15 15 TYR CB C 15 39.012 39.189 -0.177 1
1 111 . 9 1 1 A 15 15 TYR C C 15 175.174 175.978 -0.804 1
1 113 . 9 1 1 A 16 16 VAL N N 16 121.693 121.687 0.006 1
1 114 . 9 1 1 A 16 16 VAL H H 16 7.900 8.497 -0.597 1
1 115 . 9 1 1 A 16 16 VAL CA C 16 62.248 60.383 1.865 1
1 116 . 9 1 1 A 16 16 VAL HA H 16 3.932 4.728 -0.796 1
1 117 . 9 1 1 A 16 16 VAL CB C 16 33.023 33.736 -0.713 1
1 127 . 9 1 1 A 16 16 VAL C C 16 175.016 174.229 0.787 1
1 128 . 9 1 1 A 17 17 ASN N N 17 121.488 127.072 -5.584 1
1 129 . 9 1 1 A 17 17 ASN H H 17 8.198 8.758 -0.560 1
1 130 . 9 1 1 A 17 17 ASN CA C 17 52.948 52.042 0.906 1
1 131 . 9 1 1 A 17 17 ASN HA H 17 4.630 4.858 -0.228 1
1 132 . 9 1 1 A 17 17 ASN CB C 17 39.289 39.972 -0.683 1
1 137 . 9 1 1 A 17 17 ASN C C 17 174.167 173.753 0.414 1
1 139 . 9 1 1 A 18 18 TYR N N 18 122.069 121.598 0.471 1
1 140 . 9 1 1 A 18 18 TYR H H 18 8.117 8.531 -0.414 1
1 141 . 9 1 1 A 18 18 TYR CA C 18 55.970 55.816 0.154 1
1 142 . 9 1 1 A 18 18 TYR HA H 18 4.771 4.871 -0.100 1
1 143 . 9 1 1 A 18 18 TYR CB C 18 38.260 41.562 -3.302 1
1 153 . 9 1 1 A 18 18 TYR C C 18 173.978 173.296 0.682 1
1 155 . 9 1 1 A 19 19 PRO CA C 19 63.378 63.023 0.355 1
1 156 . 9 1 1 A 19 19 PRO HA H 19 4.414 4.738 -0.324 1
1 157 . 9 1 1 A 19 19 PRO CB C 19 32.018 31.799 0.219 1
1 163 . 9 1 1 A 19 19 PRO C C 19 176.659 176.268 0.391 1
1 167 . 9 1 1 A 20 20 ASN N N 20 118.582 121.577 -2.995 1
1 168 . 9 1 1 A 20 20 ASN H H 20 8.508 8.816 -0.308 1
1 169 . 9 1 1 A 20 20 ASN CA C 20 53.334 51.631 1.703 1
1 170 . 9 1 1 A 20 20 ASN HA H 20 4.756 5.256 -0.500 1
1 171 . 9 1 1 A 20 20 ASN CB C 20 38.964 42.570 -3.606 1
1 176 . 9 1 1 A 20 20 ASN C C 20 175.301 174.366 0.935 1
1 178 . 9 1 1 A 21 21 SER N N 21 115.989 115.662 0.327 1
1 179 . 9 1 1 A 21 21 SER H H 21 8.360 8.744 -0.384 1
1 180 . 9 1 1 A 21 21 SER CA C 21 58.877 56.423 2.454 1
1 181 . 9 1 1 A 21 21 SER HA H 21 4.481 5.273 -0.792 1
1 182 . 9 1 1 A 21 21 SER CB C 21 63.988 65.719 -1.731 1
1 184 . 9 1 1 A 21 21 SER C C 21 175.006 173.886 1.120 1
1 186 . 9 1 1 A 22 22 GLY N N 22 110.974 107.701 3.273 1
1 187 . 9 1 1 A 22 22 GLY H H 22 8.523 8.344 0.179 1
1 188 . 9 1 1 A 22 22 GLY CA C 22 45.429 46.057 -0.628 1
1 189 . 9 1 1 A 22 22 GLY HA3 H 22 4.074 4.264 -0.190 1
1 190 . 9 1 1 A 22 22 GLY C C 22 173.860 171.624 2.236 1
1 191 . 9 1 1 A 22 22 GLY HA2 H 22 4.074 4.263 -0.189 1
1 192 . 9 1 1 A 23 23 SER N N 23 115.179 116.275 -1.096 1
1 193 . 9 1 1 A 23 23 SER H H 23 8.190 8.632 -0.442 1
1 194 . 9 1 1 A 23 23 SER CA C 23 58.233 57.468 0.765 1
1 195 . 9 1 1 A 23 23 SER HA H 23 4.511 5.325 -0.814 1
1 196 . 9 1 1 A 23 23 SER CB C 23 64.511 67.352 -2.841 1
1 198 . 9 1 1 A 23 23 SER C C 23 173.263 172.769 0.494 1
1 200 . 9 1 1 A 24 24 VAL N N 24 122.289 121.521 0.768 1
1 201 . 9 1 1 A 24 24 VAL H H 24 7.889 8.560 -0.671 1
1 202 . 9 1 1 A 24 24 VAL CA C 24 61.754 60.829 0.925 1
1 203 . 9 1 1 A 24 24 VAL HA H 24 4.567 4.801 -0.234 1
1 204 . 9 1 1 A 24 24 VAL CB C 24 33.612 33.467 0.145 1
1 214 . 9 1 1 A 24 24 VAL C C 24 174.799 175.014 -0.215 1
1 215 . 9 1 1 A 25 25 SER N N 25 118.995 123.569 -4.574 1
1 216 . 9 1 1 A 25 25 SER H H 25 8.244 8.738 -0.494 1
1 217 . 9 1 1 A 25 25 SER CA C 25 57.102 57.373 -0.271 1
1 218 . 9 1 1 A 25 25 SER HA H 25 5.039 5.454 -0.415 1
1 219 . 9 1 1 A 25 25 SER CB C 25 66.338 66.169 0.169 1
1 221 . 9 1 1 A 25 25 SER C C 25 171.718 173.026 -1.308 1
1 223 . 9 1 1 A 26 26 ALA N N 26 121.537 125.261 -3.724 1
1 224 . 9 1 1 A 26 26 ALA H H 26 8.503 9.090 -0.587 1
1 225 . 9 1 1 A 26 26 ALA CA C 26 50.695 50.943 -0.248 1
1 226 . 9 1 1 A 26 26 ALA HA H 26 5.637 5.256 0.381 1
1 227 . 9 1 1 A 26 26 ALA CB C 26 23.364 22.145 1.219 1
1 231 . 9 1 1 A 26 26 ALA C C 26 175.355 175.507 -0.152 1
1 232 . 9 1 1 A 27 27 TYR N N 27 116.588 118.197 -1.609 1
1 233 . 9 1 1 A 27 27 TYR H H 27 8.885 8.699 0.186 1
1 234 . 9 1 1 A 27 27 TYR CA C 27 57.013 55.724 1.289 1
1 235 . 9 1 1 A 27 27 TYR HA H 27 4.742 5.188 -0.446 1
1 236 . 9 1 1 A 27 27 TYR CB C 27 40.325 41.681 -1.356 1
1 246 . 9 1 1 A 27 27 TYR C C 27 172.990 174.004 -1.014 1
1 248 . 9 1 1 A 28 28 GLY N N 28 108.423 106.763 1.660 1
1 249 . 9 1 1 A 28 28 GLY H H 28 8.475 8.443 0.032 1
1 250 . 9 1 1 A 28 28 GLY CA C 28 44.439 44.840 -0.401 1
1 251 . 9 1 1 A 28 28 GLY HA3 H 28 4.141 4.190 -0.049 1
1 252 . 9 1 1 A 28 28 GLY C C 28 173.419 174.003 -0.584 1
1 253 . 9 1 1 A 28 28 GLY HA2 H 28 5.092 4.174 0.918 1
1 254 . 9 1 1 A 29 29 PRO CA C 29 65.537 63.958 1.579 1
1 255 . 9 1 1 A 29 29 PRO HA H 29 4.298 4.093 0.205 1
1 256 . 9 1 1 A 29 29 PRO CB C 29 31.509 31.715 -0.206 1
1 262 . 9 1 1 A 29 29 PRO C C 29 178.493 177.203 1.290 1
1 266 . 9 1 1 A 30 30 GLY N N 30 102.459 107.327 -4.868 1
1 267 . 9 1 1 A 30 30 GLY H H 30 8.655 8.464 0.191 1
1 268 . 9 1 1 A 30 30 GLY CA C 30 46.245 46.441 -0.196 1
1 269 . 9 1 1 A 30 30 GLY HA3 H 30 3.417 3.960 -0.543 1
1 270 . 9 1 1 A 30 30 GLY C C 30 172.945 175.495 -2.550 1
1 271 . 9 1 1 A 30 30 GLY HA2 H 30 4.316 3.856 0.460 1
1 272 . 9 1 1 A 31 31 LEU N N 31 116.436 121.923 -5.487 1
1 273 . 9 1 1 A 31 31 LEU H H 31 7.049 7.542 -0.493 1
1 274 . 9 1 1 A 31 31 LEU CA C 31 55.368 56.930 -1.562 1
1 275 . 9 1 1 A 31 31 LEU HA H 31 3.784 4.137 -0.353 1
1 276 . 9 1 1 A 31 31 LEU CB C 31 42.148 41.646 0.502 1
1 288 . 9 1 1 A 31 31 LEU C C 31 175.321 178.878 -3.557 1
1 290 . 9 1 1 A 32 32 VAL N N 32 112.078 117.516 -5.438 1
1 291 . 9 1 1 A 32 32 VAL H H 32 7.739 6.976 0.763 1
1 292 . 9 1 1 A 32 32 VAL CA C 32 62.956 64.731 -1.775 1
1 293 . 9 1 1 A 32 32 VAL HA H 32 4.574 3.705 0.869 1
1 294 . 9 1 1 A 32 32 VAL CB C 32 35.415 31.673 3.742 1
1 304 . 9 1 1 A 32 32 VAL C C 32 176.810 175.797 1.013 1
1 305 . 9 1 1 A 33 33 TYR N N 33 121.116 115.847 5.269 1
1 306 . 9 1 1 A 33 33 TYR H H 33 8.638 6.957 1.681 1
1 307 . 9 1 1 A 33 33 TYR CA C 33 56.523 56.056 0.467 1
1 308 . 9 1 1 A 33 33 TYR HA H 33 5.639 4.936 0.703 1
1 309 . 9 1 1 A 33 33 TYR CB C 33 42.165 40.538 1.627 1
1 319 . 9 1 1 A 33 33 TYR C C 33 172.858 173.766 -0.908 1
1 321 . 9 1 1 A 34 34 GLY N N 34 107.313 106.763 0.550 1
1 322 . 9 1 1 A 34 34 GLY H H 34 7.637 8.189 -0.552 1
1 323 . 9 1 1 A 34 34 GLY CA C 34 44.721 45.616 -0.895 1
1 324 . 9 1 1 A 34 34 GLY HA3 H 34 3.793 4.444 -0.651 1
1 325 . 9 1 1 A 34 34 GLY C C 34 170.727 171.669 -0.942 1
1 326 . 9 1 1 A 34 34 GLY HA2 H 34 3.873 4.397 -0.524 1
1 327 . 9 1 1 A 35 35 VAL N N 35 120.853 119.853 1.000 1
1 328 . 9 1 1 A 35 35 VAL H H 35 8.731 8.378 0.353 1
1 329 . 9 1 1 A 35 35 VAL CA C 35 60.627 60.543 0.084 1
1 330 . 9 1 1 A 35 35 VAL HA H 35 4.589 4.742 -0.153 1
1 331 . 9 1 1 A 35 35 VAL CB C 35 35.374 35.383 -0.009 1
1 341 . 9 1 1 A 35 35 VAL C C 35 174.813 175.288 -0.475 1
1 342 . 9 1 1 A 36 36 ALA N N 36 127.708 130.596 -2.888 1
1 343 . 9 1 1 A 36 36 ALA H H 36 8.482 8.267 0.215 1
1 344 . 9 1 1 A 36 36 ALA CA C 36 53.332 53.768 -0.436 1
1 345 . 9 1 1 A 36 36 ALA HA H 36 3.535 3.998 -0.463 1
1 346 . 9 1 1 A 36 36 ALA CB C 36 17.653 18.635 -0.982 1
1 350 . 9 1 1 A 36 36 ALA C C 36 176.968 178.205 -1.237 1
1 351 . 9 1 1 A 37 37 ASN N N 37 111.234 117.173 -5.939 1
1 352 . 9 1 1 A 37 37 ASN H H 37 9.147 8.982 0.165 1
1 353 . 9 1 1 A 37 37 ASN CA C 37 55.728 54.427 1.301 1
1 354 . 9 1 1 A 37 37 ASN HA H 37 3.962 4.367 -0.405 1
1 355 . 9 1 1 A 37 37 ASN CB C 37 37.147 37.158 -0.011 1
1 360 . 9 1 1 A 37 37 ASN C C 37 173.119 173.573 -0.454 1
1 362 . 9 1 1 A 38 38 LYS N N 38 119.100 117.981 1.119 1
1 363 . 9 1 1 A 38 38 LYS H H 38 7.972 7.440 0.532 1
1 364 . 9 1 1 A 38 38 LYS CA C 38 54.306 54.770 -0.464 1
1 365 . 9 1 1 A 38 38 LYS HA H 38 4.606 4.855 -0.249 1
1 366 . 9 1 1 A 38 38 LYS CB C 38 34.799 35.684 -0.885 1
1 374 . 9 1 1 A 38 38 LYS C C 38 175.533 175.069 0.464 1
1 379 . 9 1 1 A 39 39 THR N N 39 114.730 116.312 -1.582 1
1 380 . 9 1 1 A 39 39 THR H H 39 8.158 8.456 -0.298 1
1 381 . 9 1 1 A 39 39 THR CA C 39 63.302 62.075 1.227 1
1 382 . 9 1 1 A 39 39 THR HA H 39 4.138 4.204 -0.066 1
1 383 . 9 1 1 A 39 39 THR CB C 39 69.652 69.491 0.161 1
1 389 . 9 1 1 A 39 39 THR C C 39 174.281 174.086 0.195 1
1 390 . 9 1 1 A 40 40 ALA N N 40 129.891 125.520 4.371 1
1 391 . 9 1 1 A 40 40 ALA H H 40 8.750 8.494 0.256 1
1 392 . 9 1 1 A 40 40 ALA CA C 40 50.399 51.391 -0.992 1
1 393 . 9 1 1 A 40 40 ALA HA H 40 4.702 4.981 -0.279 1
1 394 . 9 1 1 A 40 40 ALA CB C 40 20.495 21.671 -1.176 1
1 398 . 9 1 1 A 40 40 ALA C C 40 176.039 174.974 1.065 1
1 399 . 9 1 1 A 41 41 THR N N 41 112.902 116.166 -3.264 1
1 400 . 9 1 1 A 41 41 THR H H 41 8.536 8.666 -0.130 1
1 401 . 9 1 1 A 41 41 THR CA C 41 59.688 60.326 -0.638 1
1 402 . 9 1 1 A 41 41 THR HA H 41 5.779 5.081 0.698 1
1 403 . 9 1 1 A 41 41 THR CB C 41 72.348 71.248 1.100 1
1 409 . 9 1 1 A 41 41 THR C C 41 173.286 172.684 0.602 1
1 410 . 9 1 1 A 42 42 PHE N N 42 119.525 120.020 -0.495 1
1 411 . 9 1 1 A 42 42 PHE H H 42 8.825 8.066 0.759 1
1 412 . 9 1 1 A 42 42 PHE CA C 42 57.031 55.340 1.691 1
1 413 . 9 1 1 A 42 42 PHE HA H 42 5.013 5.394 -0.381 1
1 414 . 9 1 1 A 42 42 PHE CB C 42 40.155 41.566 -1.411 1
1 426 . 9 1 1 A 42 42 PHE C C 42 171.282 172.607 -1.325 1
1 428 . 9 1 1 A 43 43 THR N N 43 117.427 114.066 3.361 1
1 429 . 9 1 1 A 43 43 THR H H 43 9.210 8.456 0.754 1
1 430 . 9 1 1 A 43 43 THR CA C 43 62.250 61.026 1.224 1
1 431 . 9 1 1 A 43 43 THR HA H 43 4.987 4.976 0.011 1
1 432 . 9 1 1 A 43 43 THR CB C 43 71.510 70.808 0.702 1
1 438 . 9 1 1 A 43 43 THR C C 43 173.061 173.407 -0.346 1
1 439 . 9 1 1 A 44 44 ILE N N 44 123.638 126.240 -2.602 1
1 440 . 9 1 1 A 44 44 ILE H H 44 8.859 8.666 0.193 1
1 441 . 9 1 1 A 44 44 ILE CA C 44 59.843 59.651 0.192 1
1 442 . 9 1 1 A 44 44 ILE HA H 44 4.824 4.825 -0.001 1
1 443 . 9 1 1 A 44 44 ILE CB C 44 40.866 41.241 -0.375 1
1 455 . 9 1 1 A 44 44 ILE C C 44 174.707 175.341 -0.634 1
1 457 . 9 1 1 A 45 45 VAL N N 45 128.904 128.010 0.894 1
1 458 . 9 1 1 A 45 45 VAL H H 45 9.299 8.782 0.517 1
1 459 . 9 1 1 A 45 45 VAL CA C 45 62.119 63.018 -0.899 1
1 460 . 9 1 1 A 45 45 VAL HA H 45 4.492 4.141 0.351 1
1 461 . 9 1 1 A 45 45 VAL CB C 45 32.683 30.820 1.863 1
1 471 . 9 1 1 A 45 45 VAL C C 45 175.606 176.930 -1.324 1
1 472 . 9 1 1 A 46 46 THR N N 46 117.412 116.394 1.018 1
1 473 . 9 1 1 A 46 46 THR H H 46 8.434 8.022 0.412 1
1 474 . 9 1 1 A 46 46 THR CA C 46 60.650 60.176 0.474 1
1 475 . 9 1 1 A 46 46 THR HA H 46 4.505 4.696 -0.191 1
1 476 . 9 1 1 A 46 46 THR CB C 46 69.432 68.560 0.872 1
1 482 . 9 1 1 A 46 46 THR C C 46 174.882 175.249 -0.367 1
1 483 . 9 1 1 A 47 47 GLU N N 47 122.657 121.402 1.255 1
1 484 . 9 1 1 A 47 47 GLU H H 47 8.052 8.002 0.050 1
1 485 . 9 1 1 A 47 47 GLU CA C 47 57.419 58.563 -1.144 1
1 486 . 9 1 1 A 47 47 GLU HA H 47 4.231 4.155 0.076 1
1 487 . 9 1 1 A 47 47 GLU CB C 47 30.281 30.267 0.014 1
1 491 . 9 1 1 A 47 47 GLU C C 47 175.887 176.959 -1.072 1
1 494 . 9 1 1 A 48 48 ASP N N 48 120.269 118.800 1.469 1
1 495 . 9 1 1 A 48 48 ASP H H 48 8.536 7.863 0.673 1
1 496 . 9 1 1 A 48 48 ASP CA C 48 54.396 52.709 1.687 1
1 497 . 9 1 1 A 48 48 ASP HA H 48 4.638 4.943 -0.305 1
1 498 . 9 1 1 A 48 48 ASP CB C 48 40.979 41.663 -0.684 1
1 500 . 9 1 1 A 48 48 ASP C C 48 175.709 176.938 -1.229 1
1 502 . 9 1 1 A 49 49 ALA N N 49 122.506 124.230 -1.724 1
1 503 . 9 1 1 A 49 49 ALA H H 49 8.109 7.916 0.193 1
1 504 . 9 1 1 A 49 49 ALA CA C 49 52.774 52.885 -0.111 1
1 505 . 9 1 1 A 49 49 ALA HA H 49 4.195 4.395 -0.200 1
1 506 . 9 1 1 A 49 49 ALA CB C 49 19.343 20.169 -0.826 1
1 510 . 9 1 1 A 49 49 ALA C C 49 178.316 178.361 -0.045 1
1 511 . 9 1 1 A 50 50 GLY N N 50 107.563 104.617 2.946 1
1 512 . 9 1 1 A 50 50 GLY H H 50 8.269 7.986 0.283 1
1 513 . 9 1 1 A 50 50 GLY CA C 50 45.288 44.626 0.662 1
1 514 . 9 1 1 A 50 50 GLY HA3 H 50 3.993 4.102 -0.109 1
1 515 . 9 1 1 A 50 50 GLY C C 50 174.421 172.929 1.492 1
1 516 . 9 1 1 A 50 50 GLY HA2 H 50 3.993 4.088 -0.095 1
1 517 . 9 1 1 A 51 51 GLU N N 51 121.358 120.555 0.803 1
1 518 . 9 1 1 A 51 51 GLU H H 51 8.519 8.403 0.116 1
1 519 . 9 1 1 A 51 51 GLU CA C 51 56.890 55.729 1.161 1
1 520 . 9 1 1 A 51 51 GLU HA H 51 4.309 4.394 -0.085 1
1 521 . 9 1 1 A 51 51 GLU CB C 51 30.204 28.838 1.366 1
1 525 . 9 1 1 A 51 51 GLU C C 51 177.003 176.165 0.838 1
1 528 . 9 1 1 A 52 52 GLY N N 52 109.575 113.785 -4.210 1
1 529 . 9 1 1 A 52 52 GLY H H 52 8.349 8.223 0.126 1
1 530 . 9 1 1 A 52 52 GLY CA C 52 45.571 45.128 0.443 1
1 531 . 9 1 1 A 52 52 GLY HA3 H 52 3.895 3.955 -0.060 1
1 532 . 9 1 1 A 52 52 GLY C C 52 173.666 173.686 -0.020 1
1 533 . 9 1 1 A 52 52 GLY HA2 H 52 3.810 3.878 -0.068 1
1 534 . 9 1 1 A 53 53 GLY N N 53 106.657 106.488 0.169 1
1 535 . 9 1 1 A 53 53 GLY H H 53 7.893 7.268 0.625 1
1 536 . 9 1 1 A 53 53 GLY CA C 53 45.199 45.706 -0.507 1
1 537 . 9 1 1 A 53 53 GLY HA3 H 53 3.613 4.072 -0.459 1
1 538 . 9 1 1 A 53 53 GLY C C 53 173.414 171.973 1.441 1
1 539 . 9 1 1 A 53 53 GLY HA2 H 53 4.036 4.007 0.029 1
1 540 . 9 1 1 A 54 54 LEU N N 54 124.121 126.030 -1.909 1
1 541 . 9 1 1 A 54 54 LEU H H 54 8.241 8.800 -0.559 1
1 542 . 9 1 1 A 54 54 LEU CA C 54 54.528 54.069 0.459 1
1 543 . 9 1 1 A 54 54 LEU HA H 54 5.056 5.307 -0.251 1
1 544 . 9 1 1 A 54 54 LEU CB C 54 44.325 44.620 -0.295 1
1 556 . 9 1 1 A 54 54 LEU C C 54 176.080 174.554 1.526 1
1 558 . 9 1 1 A 55 55 ASP N N 55 126.024 125.708 0.316 1
1 559 . 9 1 1 A 55 55 ASP H H 55 8.981 8.899 0.082 1
1 560 . 9 1 1 A 55 55 ASP CA C 55 54.095 52.594 1.501 1
1 561 . 9 1 1 A 55 55 ASP HA H 55 4.879 5.511 -0.632 1
1 562 . 9 1 1 A 55 55 ASP CB C 55 44.582 44.593 -0.011 1
1 564 . 9 1 1 A 55 55 ASP C C 55 173.601 175.193 -1.592 1
1 566 . 9 1 1 A 56 56 LEU N N 56 125.098 122.484 2.614 1
1 567 . 9 1 1 A 56 56 LEU H H 56 8.300 9.092 -0.792 1
1 568 . 9 1 1 A 56 56 LEU CA C 56 53.221 53.743 -0.522 1
1 569 . 9 1 1 A 56 56 LEU HA H 56 5.422 5.148 0.274 1
1 570 . 9 1 1 A 56 56 LEU CB C 56 46.028 46.590 -0.562 1
1 582 . 9 1 1 A 56 56 LEU C C 56 175.700 175.356 0.344 1
1 584 . 9 1 1 A 57 57 ALA N N 57 125.664 121.984 3.680 1
1 585 . 9 1 1 A 57 57 ALA H H 57 8.840 8.564 0.276 1
1 586 . 9 1 1 A 57 57 ALA CA C 57 51.851 52.032 -0.181 1
1 587 . 9 1 1 A 57 57 ALA HA H 57 4.600 4.927 -0.327 1
1 588 . 9 1 1 A 57 57 ALA CB C 57 22.862 21.583 1.279 1
1 592 . 9 1 1 A 57 57 ALA C C 57 174.504 175.921 -1.417 1
1 593 . 9 1 1 A 58 58 ILE N N 58 119.429 123.790 -4.361 1
1 594 . 9 1 1 A 58 58 ILE H H 58 8.617 8.831 -0.214 1
1 595 . 9 1 1 A 58 58 ILE CA C 58 60.143 59.682 0.461 1
1 596 . 9 1 1 A 58 58 ILE HA H 58 5.272 4.953 0.319 1
1 597 . 9 1 1 A 58 58 ILE CB C 58 41.068 40.031 1.037 1
1 609 . 9 1 1 A 58 58 ILE C C 58 175.328 175.184 0.144 1
1 611 . 9 1 1 A 59 59 GLU N N 59 128.665 123.945 4.720 1
1 612 . 9 1 1 A 59 59 GLU H H 59 9.315 9.269 0.046 1
1 613 . 9 1 1 A 59 59 GLU CA C 59 54.166 54.813 -0.647 1
1 614 . 9 1 1 A 59 59 GLU HA H 59 4.920 5.182 -0.262 1
1 615 . 9 1 1 A 59 59 GLU CB C 59 32.698 33.378 -0.680 1
1 619 . 9 1 1 A 59 59 GLU C C 59 175.108 175.683 -0.575 1
1 622 . 9 1 1 A 60 60 GLY N N 60 110.929 108.754 2.175 1
1 623 . 9 1 1 A 60 60 GLY H H 60 8.427 8.321 0.106 1
1 624 . 9 1 1 A 60 60 GLY CA C 60 45.608 45.076 0.532 1
1 625 . 9 1 1 A 60 60 GLY HA3 H 60 3.927 4.164 -0.237 1
1 626 . 9 1 1 A 60 60 GLY C C 60 171.379 173.979 -2.600 1
1 627 . 9 1 1 A 60 60 GLY HA2 H 60 3.531 4.041 -0.510 1
1 628 . 9 1 1 A 61 61 PRO CA C 61 64.103 63.926 0.177 1
1 629 . 9 1 1 A 61 61 PRO HA H 61 4.270 4.450 -0.180 1
1 630 . 9 1 1 A 61 61 PRO CB C 61 32.206 31.905 0.301 1
1 636 . 9 1 1 A 61 61 PRO C C 61 176.075 175.992 0.083 1
1 640 . 9 1 1 A 62 62 SER N N 62 108.474 112.508 -4.034 1
1 641 . 9 1 1 A 62 62 SER H H 62 7.099 7.526 -0.427 1
1 642 . 9 1 1 A 62 62 SER CA C 62 56.398 57.326 -0.928 1
1 643 . 9 1 1 A 62 62 SER HA H 62 4.655 4.763 -0.108 1
1 644 . 9 1 1 A 62 62 SER CB C 62 67.457 65.348 2.109 1
1 646 . 9 1 1 A 62 62 SER C C 62 172.805 172.216 0.589 1
1 648 . 9 1 1 A 63 63 LYS N N 63 122.679 126.446 -3.767 1
1 649 . 9 1 1 A 63 63 LYS H H 63 8.653 8.256 0.397 1
1 650 . 9 1 1 A 63 63 LYS CA C 63 55.822 56.506 -0.684 1
1 651 . 9 1 1 A 63 63 LYS HA H 63 4.449 4.633 -0.184 1
1 652 . 9 1 1 A 63 63 LYS CB C 63 31.384 33.133 -1.749 1
1 660 . 9 1 1 A 63 63 LYS C C 63 175.601 174.739 0.862 1
1 665 . 9 1 1 A 64 64 ALA N N 64 130.710 130.325 0.385 1
1 666 . 9 1 1 A 64 64 ALA H H 64 8.690 8.774 -0.084 1
1 667 . 9 1 1 A 64 64 ALA CA C 64 51.425 50.614 0.811 1
1 668 . 9 1 1 A 64 64 ALA HA H 64 4.578 5.112 -0.534 1
1 669 . 9 1 1 A 64 64 ALA CB C 64 19.803 20.405 -0.602 1
1 673 . 9 1 1 A 64 64 ALA C C 64 176.395 177.327 -0.932 1
1 674 . 9 1 1 A 65 65 GLU N N 65 123.534 122.127 1.407 1
1 675 . 9 1 1 A 65 65 GLU H H 65 8.397 8.699 -0.302 1
1 676 . 9 1 1 A 65 65 GLU CA C 65 56.854 57.436 -0.582 1
1 677 . 9 1 1 A 65 65 GLU HA H 65 4.278 4.444 -0.166 1
1 678 . 9 1 1 A 65 65 GLU CB C 65 30.346 30.525 -0.179 1
1 682 . 9 1 1 A 65 65 GLU C C 65 176.381 175.780 0.601 1
1 685 . 9 1 1 A 66 66 ILE N N 66 124.380 121.231 3.149 1
1 686 . 9 1 1 A 66 66 ILE H H 66 8.541 8.600 -0.059 1
1 687 . 9 1 1 A 66 66 ILE CA C 66 60.568 60.283 0.285 1
1 688 . 9 1 1 A 66 66 ILE HA H 66 4.865 4.860 0.005 1
1 689 . 9 1 1 A 66 66 ILE CB C 66 41.804 41.437 0.367 1
1 701 . 9 1 1 A 66 66 ILE C C 66 175.421 175.079 0.342 1
1 703 . 9 1 1 A 67 67 SER N N 67 122.057 125.472 -3.415 1
1 704 . 9 1 1 A 67 67 SER H H 67 9.035 9.070 -0.035 1
1 705 . 9 1 1 A 67 67 SER CA C 67 56.908 57.626 -0.718 1
1 706 . 9 1 1 A 67 67 SER HA H 67 4.729 4.825 -0.096 1
1 707 . 9 1 1 A 67 67 SER CB C 67 64.980 62.051 2.929 1
1 709 . 9 1 1 A 67 67 SER C C 67 172.294 173.784 -1.490 1
1 711 . 9 1 1 A 68 68 CYS N N 68 124.699 122.591 2.108 1
1 712 . 9 1 1 A 68 68 CYS H H 68 8.732 8.290 0.442 1
1 713 . 9 1 1 A 68 68 CYS CA C 68 57.310 59.723 -2.413 1
1 714 . 9 1 1 A 68 68 CYS HA H 68 5.038 4.434 0.604 1
1 715 . 9 1 1 A 68 68 CYS CB C 68 28.380 28.047 0.333 1
1 717 . 9 1 1 A 68 68 CYS C C 68 173.135 174.777 -1.642 1
1 719 . 9 1 1 A 69 69 ILE N N 69 128.680 123.535 5.145 1
1 720 . 9 1 1 A 69 69 ILE H H 69 8.757 8.330 0.427 1
1 721 . 9 1 1 A 69 69 ILE CA C 69 59.153 60.198 -1.045 1
1 722 . 9 1 1 A 69 69 ILE HA H 69 4.350 4.585 -0.235 1
1 723 . 9 1 1 A 69 69 ILE CB C 69 40.750 41.458 -0.708 1
1 735 . 9 1 1 A 69 69 ILE C C 69 174.363 173.468 0.895 1
1 737 . 9 1 1 A 70 70 ASP N N 70 126.290 127.702 -1.412 1
1 738 . 9 1 1 A 70 70 ASP H H 70 8.596 8.964 -0.368 1
1 739 . 9 1 1 A 70 70 ASP CA C 70 53.671 53.583 0.088 1
1 740 . 9 1 1 A 70 70 ASP HA H 70 4.892 4.877 0.015 1
1 741 . 9 1 1 A 70 70 ASP CB C 70 41.069 43.113 -2.044 1
1 743 . 9 1 1 A 70 70 ASP C C 70 176.812 175.889 0.923 1
1 745 . 9 1 1 A 71 71 ASN N N 71 125.163 123.058 2.105 1
1 746 . 9 1 1 A 71 71 ASN H H 71 8.745 8.716 0.029 1
1 747 . 9 1 1 A 71 71 ASN CA C 71 54.626 52.822 1.804 1
1 748 . 9 1 1 A 71 71 ASN HA H 71 4.647 4.914 -0.267 1
1 749 . 9 1 1 A 71 71 ASN CB C 71 38.688 40.257 -1.569 1
1 754 . 9 1 1 A 71 71 ASN C C 71 175.657 175.224 0.433 1
1 756 . 9 1 1 A 72 72 LYS N N 72 114.425 118.417 -3.992 1
1 757 . 9 1 1 A 72 72 LYS H H 72 9.407 8.006 1.401 1
1 758 . 9 1 1 A 72 72 LYS CA C 72 57.535 57.113 0.422 1
1 759 . 9 1 1 A 72 72 LYS HA H 72 4.028 3.997 0.031 1
1 760 . 9 1 1 A 72 72 LYS CB C 72 28.393 30.187 -1.794 1
1 768 . 9 1 1 A 72 72 LYS C C 72 175.123 175.951 -0.828 1
1 773 . 9 1 1 A 73 73 ASP N N 73 117.581 120.226 -2.645 1
1 774 . 9 1 1 A 73 73 ASP H H 73 7.881 8.189 -0.308 1
1 775 . 9 1 1 A 73 73 ASP CA C 73 52.274 55.454 -3.180 1
1 776 . 9 1 1 A 73 73 ASP HA H 73 4.769 4.956 -0.187 1
1 777 . 9 1 1 A 73 73 ASP CB C 73 41.210 44.029 -2.819 1
1 779 . 9 1 1 A 73 73 ASP C C 73 177.197 177.148 0.049 1
1 781 . 9 1 1 A 74 74 GLY N N 74 109.385 106.259 3.126 1
1 782 . 9 1 1 A 74 74 GLY H H 74 8.781 7.575 1.206 1
1 783 . 9 1 1 A 74 74 GLY CA C 74 45.179 45.786 -0.607 1
1 784 . 9 1 1 A 74 74 GLY HA3 H 74 3.673 4.076 -0.403 1
1 785 . 9 1 1 A 74 74 GLY C C 74 173.671 173.598 0.073 1
1 786 . 9 1 1 A 74 74 GLY HA2 H 74 4.469 4.075 0.394 1
1 787 . 9 1 1 A 75 75 THR N N 75 110.220 109.439 0.781 1
1 788 . 9 1 1 A 75 75 THR H H 75 8.179 8.153 0.026 1
1 789 . 9 1 1 A 75 75 THR CA C 75 59.843 59.651 0.192 1
1 790 . 9 1 1 A 75 75 THR HA H 75 5.678 5.079 0.599 1
1 791 . 9 1 1 A 75 75 THR CB C 75 73.810 72.838 0.972 1
1 797 . 9 1 1 A 75 75 THR C C 75 173.912 172.891 1.021 1
1 798 . 9 1 1 A 76 76 CYS N N 76 117.252 120.012 -2.760 1
1 799 . 9 1 1 A 76 76 CYS H H 76 9.295 8.695 0.600 1
1 800 . 9 1 1 A 76 76 CYS CA C 76 56.716 57.631 -0.915 1
1 801 . 9 1 1 A 76 76 CYS HA H 76 5.517 5.357 0.160 1
1 802 . 9 1 1 A 76 76 CYS CB C 76 31.176 31.822 -0.646 1
1 804 . 9 1 1 A 76 76 CYS C C 76 174.083 173.143 0.940 1
1 806 . 9 1 1 A 77 77 THR N N 77 121.477 117.321 4.156 1
1 807 . 9 1 1 A 77 77 THR H H 77 9.137 8.381 0.756 1
1 808 . 9 1 1 A 77 77 THR CA C 77 62.565 61.466 1.099 1
1 809 . 9 1 1 A 77 77 THR HA H 77 4.592 4.954 -0.362 1
1 810 . 9 1 1 A 77 77 THR CB C 77 70.447 70.720 -0.273 1
1 816 . 9 1 1 A 77 77 THR C C 77 173.469 173.431 0.038 1
1 817 . 9 1 1 A 78 78 VAL N N 78 131.586 126.979 4.607 1
1 818 . 9 1 1 A 78 78 VAL H H 78 9.099 8.252 0.847 1
1 819 . 9 1 1 A 78 78 VAL CA C 78 60.604 61.055 -0.451 1
1 820 . 9 1 1 A 78 78 VAL HA H 78 4.672 4.509 0.163 1
1 821 . 9 1 1 A 78 78 VAL CB C 78 32.061 32.893 -0.832 1
1 831 . 9 1 1 A 78 78 VAL C C 78 174.618 174.574 0.044 1
1 832 . 9 1 1 A 79 79 THR N N 79 120.071 123.225 -3.154 1
1 833 . 9 1 1 A 79 79 THR H H 79 8.782 9.045 -0.263 1
1 834 . 9 1 1 A 79 79 THR CA C 79 59.685 61.802 -2.117 1
1 835 . 9 1 1 A 79 79 THR HA H 79 5.424 5.062 0.362 1
1 836 . 9 1 1 A 79 79 THR CB C 79 71.374 71.011 0.363 1
1 842 . 9 1 1 A 79 79 THR C C 79 173.250 173.619 -0.369 1
1 843 . 9 1 1 A 80 80 TYR N N 80 120.212 120.813 -0.601 1
1 844 . 9 1 1 A 80 80 TYR H H 80 9.132 8.678 0.454 1
1 845 . 9 1 1 A 80 80 TYR CA C 80 55.554 55.833 -0.279 1
1 846 . 9 1 1 A 80 80 TYR HA H 80 5.686 5.304 0.382 1
1 847 . 9 1 1 A 80 80 TYR CB C 80 42.143 41.466 0.677 1
1 857 . 9 1 1 A 80 80 TYR C C 80 172.856 172.327 0.529 1
1 859 . 9 1 1 A 81 81 LEU N N 81 121.355 123.312 -1.957 1
1 860 . 9 1 1 A 81 81 LEU H H 81 7.729 9.148 -1.419 1
1 861 . 9 1 1 A 81 81 LEU CA C 81 50.912 51.044 -0.132 1
1 862 . 9 1 1 A 81 81 LEU HA H 81 4.991 4.808 0.183 1
1 863 . 9 1 1 A 81 81 LEU CB C 81 43.636 44.983 -1.347 1
1 875 . 9 1 1 A 81 81 LEU C C 81 172.982 175.123 -2.141 1
1 877 . 9 1 1 A 82 82 PRO CA C 82 61.629 62.726 -1.097 1
1 878 . 9 1 1 A 82 82 PRO HA H 82 4.587 4.761 -0.174 1
1 879 . 9 1 1 A 82 82 PRO CB C 82 32.091 32.771 -0.680 1
1 885 . 9 1 1 A 82 82 PRO C C 82 177.683 176.779 0.904 1
1 889 . 9 1 1 A 83 83 THR N N 83 112.637 113.592 -0.955 1
1 890 . 9 1 1 A 83 83 THR H H 83 8.438 8.936 -0.498 1
1 891 . 9 1 1 A 83 83 THR CA C 83 62.207 63.474 -1.267 1
1 892 . 9 1 1 A 83 83 THR HA H 83 4.305 4.474 -0.169 1
1 893 . 9 1 1 A 83 83 THR CB C 83 69.155 70.086 -0.931 1
1 899 . 9 1 1 A 83 83 THR C C 83 173.582 174.387 -0.805 1
1 900 . 9 1 1 A 84 84 LEU N N 84 118.186 119.129 -0.943 1
1 901 . 9 1 1 A 84 84 LEU H H 84 6.839 7.628 -0.789 1
1 902 . 9 1 1 A 84 84 LEU CA C 84 51.513 51.112 0.401 1
1 903 . 9 1 1 A 84 84 LEU HA H 84 4.976 4.921 0.055 1
1 904 . 9 1 1 A 84 84 LEU CB C 84 45.838 45.101 0.737 1
1 916 . 9 1 1 A 84 84 LEU C C 84 175.119 174.396 0.723 1
1 918 . 9 1 1 A 85 85 PRO CA C 85 62.660 63.422 -0.762 1
1 919 . 9 1 1 A 85 85 PRO HA H 85 4.347 4.797 -0.450 1
1 920 . 9 1 1 A 85 85 PRO CB C 85 32.801 31.848 0.953 1
1 926 . 9 1 1 A 85 85 PRO C C 85 174.117 176.098 -1.981 1
1 930 . 9 1 1 A 86 86 GLY N N 86 106.704 108.115 -1.411 1
1 931 . 9 1 1 A 86 86 GLY H H 86 9.065 8.159 0.906 1
1 932 . 9 1 1 A 86 86 GLY CA C 86 44.520 45.277 -0.757 1
1 933 . 9 1 1 A 86 86 GLY HA3 H 86 3.838 4.154 -0.316 1
1 934 . 9 1 1 A 86 86 GLY C C 86 171.468 172.698 -1.230 1
1 935 . 9 1 1 A 86 86 GLY HA2 H 86 4.408 4.065 0.343 1
1 936 . 9 1 1 A 87 87 ASP N N 87 120.573 119.806 0.767 1
1 937 . 9 1 1 A 87 87 ASP H H 87 8.275 8.356 -0.081 1
1 938 . 9 1 1 A 87 87 ASP CA C 87 53.500 54.491 -0.991 1
1 939 . 9 1 1 A 87 87 ASP HA H 87 5.498 4.646 0.852 1
1 940 . 9 1 1 A 87 87 ASP CB C 87 40.877 40.730 0.147 1
1 942 . 9 1 1 A 87 87 ASP C C 87 176.069 175.583 0.486 1
1 944 . 9 1 1 A 88 88 TYR N N 88 124.115 123.459 0.656 1
1 945 . 9 1 1 A 88 88 TYR H H 88 9.510 8.493 1.017 1
1 946 . 9 1 1 A 88 88 TYR CA C 88 56.667 56.999 -0.332 1
1 947 . 9 1 1 A 88 88 TYR HA H 88 4.983 5.198 -0.215 1
1 948 . 9 1 1 A 88 88 TYR CB C 88 39.633 40.330 -0.697 1
1 958 . 9 1 1 A 88 88 TYR C C 88 174.533 175.307 -0.774 1
1 960 . 9 1 1 A 89 89 SER N N 89 118.331 120.971 -2.640 1
1 961 . 9 1 1 A 89 89 SER H H 89 9.200 9.389 -0.189 1
1 962 . 9 1 1 A 89 89 SER CA C 89 56.737 58.212 -1.475 1
1 963 . 9 1 1 A 89 89 SER HA H 89 5.346 4.810 0.536 1
1 964 . 9 1 1 A 89 89 SER CB C 89 64.421 63.159 1.262 1
1 966 . 9 1 1 A 89 89 SER C C 89 173.462 173.812 -0.350 1
1 968 . 9 1 1 A 90 90 ILE N N 90 127.805 127.058 0.747 1
1 969 . 9 1 1 A 90 90 ILE H H 90 9.536 8.564 0.972 1
1 970 . 9 1 1 A 90 90 ILE CA C 90 61.209 61.452 -0.243 1
1 971 . 9 1 1 A 90 90 ILE HA H 90 4.505 4.463 0.042 1
1 972 . 9 1 1 A 90 90 ILE CB C 90 39.225 37.893 1.332 1
1 984 . 9 1 1 A 90 90 ILE C C 90 174.259 175.286 -1.027 1
1 986 . 9 1 1 A 91 91 LEU N N 91 129.968 127.090 2.878 1
1 987 . 9 1 1 A 91 91 LEU H H 91 9.354 8.961 0.393 1
1 988 . 9 1 1 A 91 91 LEU CA C 91 55.510 53.777 1.733 1
1 989 . 9 1 1 A 91 91 LEU HA H 91 4.774 5.159 -0.385 1
1 990 . 9 1 1 A 91 91 LEU CB C 91 42.674 44.342 -1.668 1
1 1002 . 9 1 1 A 91 91 LEU C C 91 175.517 175.434 0.083 1
1 1004 . 9 1 1 A 92 92 VAL N N 92 124.859 125.887 -1.028 1
1 1005 . 9 1 1 A 92 92 VAL H H 92 9.431 9.115 0.316 1
1 1006 . 9 1 1 A 92 92 VAL CA C 92 61.488 60.972 0.516 1
1 1007 . 9 1 1 A 92 92 VAL HA H 92 4.626 5.115 -0.489 1
1 1008 . 9 1 1 A 92 92 VAL CB C 92 33.437 34.415 -0.978 1
1 1018 . 9 1 1 A 92 92 VAL C C 92 173.589 174.899 -1.310 1
1 1019 . 9 1 1 A 93 93 LYS N N 93 123.909 126.371 -2.462 1
1 1020 . 9 1 1 A 93 93 LYS H H 93 8.660 8.945 -0.285 1
1 1021 . 9 1 1 A 93 93 LYS CA C 93 53.953 54.309 -0.356 1
1 1022 . 9 1 1 A 93 93 LYS HA H 93 5.017 4.748 0.269 1
1 1023 . 9 1 1 A 93 93 LYS CB C 93 36.475 35.449 1.026 1
1 1031 . 9 1 1 A 93 93 LYS C C 93 174.746 175.015 -0.269 1
1 1036 . 9 1 1 A 94 94 TYR N N 94 120.499 122.231 -1.732 1
1 1037 . 9 1 1 A 94 94 TYR H H 94 8.821 9.396 -0.575 1
1 1038 . 9 1 1 A 94 94 TYR CA C 94 56.438 57.756 -1.318 1
1 1039 . 9 1 1 A 94 94 TYR HA H 94 5.161 4.871 0.290 1
1 1040 . 9 1 1 A 94 94 TYR CB C 94 41.931 41.650 0.281 1
1 1050 . 9 1 1 A 94 94 TYR C C 94 176.635 175.032 1.603 1
1 1052 . 9 1 1 A 95 95 ASN N N 95 128.155 125.802 2.353 1
1 1053 . 9 1 1 A 95 95 ASN H H 95 8.872 8.970 -0.098 1
1 1054 . 9 1 1 A 95 95 ASN CA C 95 54.360 53.716 0.644 1
1 1055 . 9 1 1 A 95 95 ASN HA H 95 4.215 4.295 -0.080 1
1 1056 . 9 1 1 A 95 95 ASN CB C 95 36.735 35.855 0.880 1
1 1061 . 9 1 1 A 95 95 ASN C C 95 174.592 175.087 -0.495 1
1 1063 . 9 1 1 A 96 96 ASP N N 96 110.440 118.169 -7.729 1
1 1064 . 9 1 1 A 96 96 ASP H H 96 9.304 8.526 0.778 1
1 1065 . 9 1 1 A 96 96 ASP CA C 96 55.920 55.292 0.628 1
1 1066 . 9 1 1 A 96 96 ASP HA H 96 4.030 4.223 -0.193 1
1 1067 . 9 1 1 A 96 96 ASP CB C 96 40.704 39.698 1.006 1
1 1069 . 9 1 1 A 96 96 ASP C C 96 174.657 174.689 -0.032 1
1 1071 . 9 1 1 A 97 97 LYS N N 97 118.806 117.367 1.439 1
1 1072 . 9 1 1 A 97 97 LYS H H 97 7.482 7.548 -0.066 1
1 1073 . 9 1 1 A 97 97 LYS CA C 97 54.378 54.875 -0.497 1
1 1074 . 9 1 1 A 97 97 LYS HA H 97 4.715 4.836 -0.121 1
1 1075 . 9 1 1 A 97 97 LYS CB C 97 35.127 36.042 -0.915 1
1 1083 . 9 1 1 A 97 97 LYS C C 97 176.499 175.490 1.009 1
1 1088 . 9 1 1 A 98 98 HIS N N 98 124.063 122.462 1.601 1
1 1089 . 9 1 1 A 98 98 HIS H H 98 8.795 8.781 0.014 1
1 1090 . 9 1 1 A 98 98 HIS CA C 98 58.870 57.053 1.817 1
1 1091 . 9 1 1 A 98 98 HIS HA H 98 4.496 4.686 -0.190 1
1 1092 . 9 1 1 A 98 98 HIS CB C 98 32.178 30.478 1.700 1
1 1098 . 9 1 1 A 98 98 HIS C C 98 177.720 175.811 1.909 1
1 1100 . 9 1 1 A 99 99 ILE N N 99 120.049 120.546 -0.497 1
1 1101 . 9 1 1 A 99 99 ILE H H 99 8.380 8.218 0.162 1
1 1102 . 9 1 1 A 99 99 ILE CA C 99 60.674 59.416 1.258 1
1 1103 . 9 1 1 A 99 99 ILE HA H 99 4.696 4.563 0.133 1
1 1104 . 9 1 1 A 99 99 ILE CB C 99 35.539 38.096 -2.557 1
1 1116 . 9 1 1 A 99 99 ILE C C 99 173.419 174.554 -1.135 1
1 1118 . 9 1 1 A 100 100 PRO CA C 100 65.343 63.468 1.875 1
1 1119 . 9 1 1 A 100 100 PRO HA H 100 4.255 4.346 -0.091 1
1 1120 . 9 1 1 A 100 100 PRO CB C 100 31.128 30.974 0.154 1
1 1126 . 9 1 1 A 100 100 PRO C C 100 176.734 177.384 -0.650 1
1 1130 . 9 1 1 A 101 101 GLY N N 101 113.906 113.192 0.714 1
1 1131 . 9 1 1 A 101 101 GLY H H 101 8.167 8.264 -0.097 1
1 1132 . 9 1 1 A 101 101 GLY CA C 101 44.668 44.775 -0.107 1
1 1133 . 9 1 1 A 101 101 GLY HA3 H 101 3.120 3.863 -0.743 1
1 1134 . 9 1 1 A 101 101 GLY C C 101 171.985 173.718 -1.733 1
1 1135 . 9 1 1 A 101 101 GLY HA2 H 101 4.140 3.859 0.281 1
1 1136 . 9 1 1 A 102 102 SER N N 102 112.418 117.397 -4.979 1
1 1137 . 9 1 1 A 102 102 SER H H 102 7.641 7.380 0.261 1
1 1138 . 9 1 1 A 102 102 SER CA C 102 54.770 55.715 -0.945 1
1 1139 . 9 1 1 A 102 102 SER HA H 102 4.107 4.245 -0.138 1
1 1140 . 9 1 1 A 102 102 SER CB C 102 62.454 64.092 -1.638 1
1 1142 . 9 1 1 A 102 102 SER C C 102 174.682 172.179 2.503 1
1 1144 . 9 1 1 A 103 103 PRO CA C 103 62.301 62.395 -0.094 1
1 1145 . 9 1 1 A 103 103 PRO HA H 103 5.363 4.809 0.554 1
1 1146 . 9 1 1 A 103 103 PRO CB C 103 33.964 32.450 1.514 1
1 1152 . 9 1 1 A 103 103 PRO C C 103 176.438 176.760 -0.322 1
1 1156 . 9 1 1 A 104 104 PHE N N 104 126.067 120.442 5.625 1
1 1157 . 9 1 1 A 104 104 PHE H H 104 9.449 8.056 1.393 1
1 1158 . 9 1 1 A 104 104 PHE CA C 104 57.102 57.734 -0.632 1
1 1159 . 9 1 1 A 104 104 PHE HA H 104 4.621 4.881 -0.260 1
1 1160 . 9 1 1 A 104 104 PHE CB C 104 40.656 40.428 0.228 1
1 1170 . 9 1 1 A 104 104 PHE C C 104 176.313 175.856 0.457 1
1 1172 . 9 1 1 A 105 105 THR N N 105 118.402 115.454 2.948 1
1 1173 . 9 1 1 A 105 105 THR H H 105 8.842 8.863 -0.021 1
1 1174 . 9 1 1 A 105 105 THR CA C 105 62.018 61.290 0.728 1
1 1175 . 9 1 1 A 105 105 THR HA H 105 5.153 5.100 0.053 1
1 1176 . 9 1 1 A 105 105 THR CB C 105 70.095 70.989 -0.894 1
1 1182 . 9 1 1 A 105 105 THR C C 105 172.525 173.384 -0.859 1
1 1183 . 9 1 1 A 106 106 ALA N N 106 131.132 129.882 1.250 1
1 1184 . 9 1 1 A 106 106 ALA H H 106 9.192 9.013 0.179 1
1 1185 . 9 1 1 A 106 106 ALA CA C 106 50.187 50.474 -0.287 1
1 1186 . 9 1 1 A 106 106 ALA HA H 106 4.435 5.316 -0.881 1
1 1187 . 9 1 1 A 106 106 ALA CB C 106 21.021 20.593 0.428 1
1 1191 . 9 1 1 A 106 106 ALA C C 106 176.136 176.193 -0.057 1
1 1192 . 9 1 1 A 107 107 LYS N N 107 122.751 124.469 -1.718 1
1 1193 . 9 1 1 A 107 107 LYS H H 107 7.746 8.545 -0.799 1
1 1194 . 9 1 1 A 107 107 LYS CA C 107 55.652 55.521 0.131 1
1 1195 . 9 1 1 A 107 107 LYS HA H 107 4.797 4.670 0.127 1
1 1196 . 9 1 1 A 107 107 LYS CB C 107 32.606 32.802 -0.196 1
1 1204 . 9 1 1 A 107 107 LYS C C 107 174.648 174.836 -0.188 1
1 1209 . 9 1 1 A 108 108 ILE N N 108 127.629 127.614 0.015 1
1 1210 . 9 1 1 A 108 108 ILE H H 108 9.024 8.376 0.648 1
1 1211 . 9 1 1 A 108 108 ILE CA C 108 56.801 60.480 -3.679 1
1 1212 . 9 1 1 A 108 108 ILE HA H 108 4.688 5.362 -0.674 1
1 1213 . 9 1 1 A 108 108 ILE CB C 108 35.101 39.758 -4.657 1
1 1225 . 9 1 1 A 108 108 ILE C C 108 178.159 175.497 2.662 1
1 1227 . 9 1 1 A 109 109 THR N N 109 121.563 121.828 -0.265 1
1 1228 . 9 1 1 A 109 109 THR H H 109 8.861 8.691 0.170 1
1 1229 . 9 1 1 A 109 109 THR CA C 109 60.745 59.521 1.224 1
1 1230 . 9 1 1 A 109 109 THR HA H 109 4.778 5.101 -0.323 1
1 1231 . 9 1 1 A 109 109 THR CB C 109 71.067 71.516 -0.449 1
1 1237 . 9 1 1 A 109 109 THR C C 109 173.421 172.850 0.571 1
1 1238 . 9 1 1 A 110 110 ASP N N 110 119.526 122.110 -2.584 1
1 1239 . 9 1 1 A 110 110 ASP H H 110 8.631 8.458 0.173 1
1 1240 . 9 1 1 A 110 110 ASP CA C 110 53.971 52.642 1.329 1
1 1241 . 9 1 1 A 110 110 ASP HA H 110 4.729 5.068 -0.339 1
1 1242 . 9 1 1 A 110 110 ASP CB C 110 42.087 42.550 -0.463 1
1 1244 . 9 1 1 A 110 110 ASP C C 110 176.124 175.455 0.669 1
1 1246 . 9 1 1 A 111 111 ASP N N 111 122.287 123.786 -1.499 1
1 1247 . 9 1 1 A 111 111 ASP H H 111 8.638 8.889 -0.251 1
1 1248 . 9 1 1 A 111 111 ASP CA C 111 54.042 55.363 -1.321 1
1 1249 . 9 1 1 A 111 111 ASP HA H 111 4.644 4.793 -0.149 1
1 1250 . 9 1 1 A 111 111 ASP CB C 111 41.218 43.350 -2.132 1
1 1252 . 9 1 1 A 111 111 ASP C C 111 176.668 177.425 -0.757 1
1 1254 . 9 1 1 A 112 112 SER N N 112 117.157 114.178 2.979 1
1 1255 . 9 1 1 A 112 112 SER H H 112 8.416 8.030 0.386 1
1 1256 . 9 1 1 A 112 112 SER CA C 112 59.277 61.681 -2.404 1
1 1257 . 9 1 1 A 112 112 SER HA H 112 4.348 4.068 0.280 1
1 1258 . 9 1 1 A 112 112 SER CB C 112 63.943 63.080 0.863 1
1 1260 . 9 1 1 A 112 112 SER C C 112 174.721 174.205 0.516 1
1 1262 . 9 1 1 A 113 113 ARG N N 113 122.178 118.726 3.452 1
1 1263 . 9 1 1 A 113 113 ARG H H 113 8.238 7.853 0.385 1
1 1264 . 9 1 1 A 113 113 ARG CA C 113 56.195 56.979 -0.784 1
1 1265 . 9 1 1 A 113 113 ARG HA H 113 4.347 4.050 0.297 1
1 1266 . 9 1 1 A 113 113 ARG CB C 113 30.470 26.878 3.592 1
1 1271 . 9 1 1 A 113 113 ARG C C 113 176.207 176.547 -0.340 1
1 1275 . 9 1 1 A 114 114 ARG N N 114 122.696 116.940 5.756 1
1 1276 . 9 1 1 A 114 114 ARG H H 114 8.338 8.094 0.244 1
1 1277 . 9 1 1 A 114 114 ARG CA C 114 56.164 58.939 -2.775 1
1 1278 . 9 1 1 A 114 114 ARG HA H 114 4.390 4.099 0.291 1
1 1279 . 9 1 1 A 114 114 ARG CB C 114 30.679 29.860 0.819 1
1 1285 . 9 1 1 A 114 114 ARG C C 114 175.468 178.375 -2.907 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 44.699 45.571 -0.872 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.124 4.144 -0.020 1
1 3 . 10 1 1 A 7 7 GLY HA2 H 7 4.124 4.122 0.002 1
1 4 . 10 1 1 A 8 8 PRO CA C 8 63.321 62.601 0.720 1
1 5 . 10 1 1 A 8 8 PRO HA H 8 4.418 4.579 -0.161 1
1 6 . 10 1 1 A 8 8 PRO CB C 8 32.104 32.607 -0.503 1
1 12 . 10 1 1 A 8 8 PRO C C 8 177.159 177.053 0.106 1
1 16 . 10 1 1 A 9 9 GLU N N 9 120.837 120.392 0.445 1
1 17 . 10 1 1 A 9 9 GLU H H 9 8.612 8.504 0.108 1
1 18 . 10 1 1 A 9 9 GLU CA C 9 56.642 56.714 -0.072 1
1 19 . 10 1 1 A 9 9 GLU HA H 9 4.282 4.215 0.067 1
1 20 . 10 1 1 A 9 9 GLU CB C 9 30.181 29.580 0.601 1
1 24 . 10 1 1 A 9 9 GLU C C 9 176.387 176.411 -0.024 1
1 27 . 10 1 1 A 10 10 SER N N 10 117.776 117.746 0.030 1
1 28 . 10 1 1 A 10 10 SER H H 10 8.264 8.446 -0.182 1
1 29 . 10 1 1 A 10 10 SER CA C 10 56.382 55.530 0.852 1
1 30 . 10 1 1 A 10 10 SER HA H 10 4.763 5.003 -0.240 1
1 31 . 10 1 1 A 10 10 SER CB C 10 63.575 64.973 -1.398 1
1 33 . 10 1 1 A 10 10 SER C C 10 172.958 171.246 1.712 1
1 35 . 10 1 1 A 11 11 PRO CA C 11 63.404 62.643 0.761 1
1 36 . 10 1 1 A 11 11 PRO HA H 11 4.432 4.761 -0.329 1
1 37 . 10 1 1 A 11 11 PRO CB C 11 31.958 31.184 0.774 1
1 43 . 10 1 1 A 11 11 PRO C C 11 176.922 176.014 0.908 1
1 47 . 10 1 1 A 12 12 LEU N N 12 121.245 125.057 -3.812 1
1 48 . 10 1 1 A 12 12 LEU H H 12 8.172 8.740 -0.568 1
1 49 . 10 1 1 A 12 12 LEU CA C 12 55.521 53.324 2.197 1
1 50 . 10 1 1 A 12 12 LEU HA H 12 4.236 4.945 -0.709 1
1 51 . 10 1 1 A 12 12 LEU CB C 12 42.138 46.022 -3.884 1
1 63 . 10 1 1 A 12 12 LEU C C 12 177.236 176.439 0.797 1
1 65 . 10 1 1 A 13 13 GLN N N 13 120.086 118.767 1.319 1
1 66 . 10 1 1 A 13 13 GLN H H 13 8.098 8.690 -0.592 1
1 67 . 10 1 1 A 13 13 GLN CA C 13 55.785 55.508 0.277 1
1 68 . 10 1 1 A 13 13 GLN HA H 13 4.220 4.549 -0.329 1
1 69 . 10 1 1 A 13 13 GLN CB C 13 29.628 29.026 0.602 1
1 76 . 10 1 1 A 13 13 GLN C C 13 175.243 175.516 -0.273 1
1 79 . 10 1 1 A 14 14 PHE N N 14 120.461 123.016 -2.555 1
1 80 . 10 1 1 A 14 14 PHE H H 14 8.056 7.976 0.080 1
1 81 . 10 1 1 A 14 14 PHE CA C 14 57.739 59.361 -1.622 1
1 82 . 10 1 1 A 14 14 PHE HA H 14 4.545 4.529 0.016 1
1 83 . 10 1 1 A 14 14 PHE CB C 14 39.825 40.138 -0.313 1
1 95 . 10 1 1 A 14 14 PHE C C 14 175.022 175.462 -0.440 1
1 97 . 10 1 1 A 15 15 TYR N N 15 121.213 124.174 -2.961 1
1 98 . 10 1 1 A 15 15 TYR H H 15 8.004 7.919 0.085 1
1 99 . 10 1 1 A 15 15 TYR CA C 15 57.756 57.645 0.111 1
1 100 . 10 1 1 A 15 15 TYR HA H 15 4.506 4.734 -0.228 1
1 101 . 10 1 1 A 15 15 TYR CB C 15 39.012 39.446 -0.434 1
1 111 . 10 1 1 A 15 15 TYR C C 15 175.174 175.371 -0.197 1
1 113 . 10 1 1 A 16 16 VAL N N 16 121.693 118.770 2.923 1
1 114 . 10 1 1 A 16 16 VAL H H 16 7.900 8.945 -1.045 1
1 115 . 10 1 1 A 16 16 VAL CA C 16 62.248 60.558 1.690 1
1 116 . 10 1 1 A 16 16 VAL HA H 16 3.932 4.952 -1.020 1
1 117 . 10 1 1 A 16 16 VAL CB C 16 33.023 33.998 -0.975 1
1 127 . 10 1 1 A 16 16 VAL C C 16 175.016 174.822 0.194 1
1 128 . 10 1 1 A 17 17 ASN N N 17 121.488 126.024 -4.536 1
1 129 . 10 1 1 A 17 17 ASN H H 17 8.198 8.580 -0.382 1
1 130 . 10 1 1 A 17 17 ASN CA C 17 52.948 52.532 0.416 1
1 131 . 10 1 1 A 17 17 ASN HA H 17 4.630 5.031 -0.401 1
1 132 . 10 1 1 A 17 17 ASN CB C 17 39.289 39.390 -0.101 1
1 137 . 10 1 1 A 17 17 ASN C C 17 174.167 174.418 -0.251 1
1 139 . 10 1 1 A 18 18 TYR N N 18 122.069 119.001 3.068 1
1 140 . 10 1 1 A 18 18 TYR H H 18 8.117 8.408 -0.291 1
1 141 . 10 1 1 A 18 18 TYR CA C 18 55.970 55.531 0.439 1
1 142 . 10 1 1 A 18 18 TYR HA H 18 4.771 5.106 -0.335 1
1 143 . 10 1 1 A 18 18 TYR CB C 18 38.260 39.007 -0.747 1
1 153 . 10 1 1 A 18 18 TYR C C 18 173.978 172.493 1.485 1
1 155 . 10 1 1 A 19 19 PRO CA C 19 63.378 62.931 0.447 1
1 156 . 10 1 1 A 19 19 PRO HA H 19 4.414 4.672 -0.258 1
1 157 . 10 1 1 A 19 19 PRO CB C 19 32.018 33.072 -1.054 1
1 163 . 10 1 1 A 19 19 PRO C C 19 176.659 175.828 0.831 1
1 167 . 10 1 1 A 20 20 ASN N N 20 118.582 115.464 3.118 1
1 168 . 10 1 1 A 20 20 ASN H H 20 8.508 8.428 0.080 1
1 169 . 10 1 1 A 20 20 ASN CA C 20 53.334 52.112 1.222 1
1 170 . 10 1 1 A 20 20 ASN HA H 20 4.756 5.393 -0.637 1
1 171 . 10 1 1 A 20 20 ASN CB C 20 38.964 42.042 -3.078 1
1 176 . 10 1 1 A 20 20 ASN C C 20 175.301 173.086 2.215 1
1 178 . 10 1 1 A 21 21 SER N N 21 115.989 114.875 1.114 1
1 179 . 10 1 1 A 21 21 SER H H 21 8.360 8.772 -0.412 1
1 180 . 10 1 1 A 21 21 SER CA C 21 58.877 56.422 2.455 1
1 181 . 10 1 1 A 21 21 SER HA H 21 4.481 5.177 -0.696 1
1 182 . 10 1 1 A 21 21 SER CB C 21 63.988 65.486 -1.498 1
1 184 . 10 1 1 A 21 21 SER C C 21 175.006 173.033 1.973 1
1 186 . 10 1 1 A 22 22 GLY N N 22 110.974 114.984 -4.010 1
1 187 . 10 1 1 A 22 22 GLY H H 22 8.523 9.132 -0.609 1
1 188 . 10 1 1 A 22 22 GLY CA C 22 45.429 46.351 -0.922 1
1 189 . 10 1 1 A 22 22 GLY HA3 H 22 4.074 4.025 0.049 1
1 190 . 10 1 1 A 22 22 GLY C C 22 173.860 173.109 0.751 1
1 191 . 10 1 1 A 22 22 GLY HA2 H 22 4.074 4.025 0.049 1
1 192 . 10 1 1 A 23 23 SER N N 23 115.179 115.930 -0.751 1
1 193 . 10 1 1 A 23 23 SER H H 23 8.190 8.523 -0.333 1
1 194 . 10 1 1 A 23 23 SER CA C 23 58.233 56.805 1.428 1
1 195 . 10 1 1 A 23 23 SER HA H 23 4.511 5.157 -0.646 1
1 196 . 10 1 1 A 23 23 SER CB C 23 64.511 67.156 -2.645 1
1 198 . 10 1 1 A 23 23 SER C C 23 173.263 172.378 0.885 1
1 200 . 10 1 1 A 24 24 VAL N N 24 122.289 120.350 1.939 1
1 201 . 10 1 1 A 24 24 VAL H H 24 7.889 8.359 -0.470 1
1 202 . 10 1 1 A 24 24 VAL CA C 24 61.754 60.538 1.216 1
1 203 . 10 1 1 A 24 24 VAL HA H 24 4.567 5.009 -0.442 1
1 204 . 10 1 1 A 24 24 VAL CB C 24 33.612 33.788 -0.176 1
1 214 . 10 1 1 A 24 24 VAL C C 24 174.799 174.664 0.135 1
1 215 . 10 1 1 A 25 25 SER N N 25 118.995 122.845 -3.850 1
1 216 . 10 1 1 A 25 25 SER H H 25 8.244 8.438 -0.194 1
1 217 . 10 1 1 A 25 25 SER CA C 25 57.102 57.348 -0.246 1
1 218 . 10 1 1 A 25 25 SER HA H 25 5.039 5.437 -0.398 1
1 219 . 10 1 1 A 25 25 SER CB C 25 66.338 66.263 0.075 1
1 221 . 10 1 1 A 25 25 SER C C 25 171.718 172.667 -0.949 1
1 223 . 10 1 1 A 26 26 ALA N N 26 121.537 125.955 -4.418 1
1 224 . 10 1 1 A 26 26 ALA H H 26 8.503 8.865 -0.362 1
1 225 . 10 1 1 A 26 26 ALA CA C 26 50.695 50.160 0.535 1
1 226 . 10 1 1 A 26 26 ALA HA H 26 5.637 5.527 0.110 1
1 227 . 10 1 1 A 26 26 ALA CB C 26 23.364 21.992 1.372 1
1 231 . 10 1 1 A 26 26 ALA C C 26 175.355 176.053 -0.698 1
1 232 . 10 1 1 A 27 27 TYR N N 27 116.588 118.163 -1.575 1
1 233 . 10 1 1 A 27 27 TYR H H 27 8.885 8.769 0.116 1
1 234 . 10 1 1 A 27 27 TYR CA C 27 57.013 55.756 1.257 1
1 235 . 10 1 1 A 27 27 TYR HA H 27 4.742 5.256 -0.514 1
1 236 . 10 1 1 A 27 27 TYR CB C 27 40.325 41.767 -1.442 1
1 246 . 10 1 1 A 27 27 TYR C C 27 172.990 174.038 -1.048 1
1 248 . 10 1 1 A 28 28 GLY N N 28 108.423 106.689 1.734 1
1 249 . 10 1 1 A 28 28 GLY H H 28 8.475 8.436 0.039 1
1 250 . 10 1 1 A 28 28 GLY CA C 28 44.439 44.894 -0.455 1
1 251 . 10 1 1 A 28 28 GLY HA3 H 28 4.141 4.104 0.037 1
1 252 . 10 1 1 A 28 28 GLY C C 28 173.419 173.989 -0.570 1
1 253 . 10 1 1 A 28 28 GLY HA2 H 28 5.092 4.047 1.045 1
1 254 . 10 1 1 A 29 29 PRO CA C 29 65.537 63.785 1.752 1
1 255 . 10 1 1 A 29 29 PRO HA H 29 4.298 4.175 0.123 1
1 256 . 10 1 1 A 29 29 PRO CB C 29 31.509 31.690 -0.181 1
1 262 . 10 1 1 A 29 29 PRO C C 29 178.493 177.274 1.219 1
1 266 . 10 1 1 A 30 30 GLY N N 30 102.459 106.545 -4.086 1
1 267 . 10 1 1 A 30 30 GLY H H 30 8.655 8.221 0.434 1
1 268 . 10 1 1 A 30 30 GLY CA C 30 46.245 45.590 0.655 1
1 269 . 10 1 1 A 30 30 GLY HA3 H 30 3.417 4.119 -0.702 1
1 270 . 10 1 1 A 30 30 GLY C C 30 172.945 174.746 -1.801 1
1 271 . 10 1 1 A 30 30 GLY HA2 H 30 4.316 4.003 0.313 1
1 272 . 10 1 1 A 31 31 LEU N N 31 116.436 121.421 -4.985 1
1 273 . 10 1 1 A 31 31 LEU H H 31 7.049 7.508 -0.459 1
1 274 . 10 1 1 A 31 31 LEU CA C 31 55.368 57.178 -1.810 1
1 275 . 10 1 1 A 31 31 LEU HA H 31 3.784 4.065 -0.281 1
1 276 . 10 1 1 A 31 31 LEU CB C 31 42.148 42.306 -0.158 1
1 288 . 10 1 1 A 31 31 LEU C C 31 175.321 178.873 -3.552 1
1 290 . 10 1 1 A 32 32 VAL N N 32 112.078 117.559 -5.481 1
1 291 . 10 1 1 A 32 32 VAL H H 32 7.739 6.912 0.827 1
1 292 . 10 1 1 A 32 32 VAL CA C 32 62.956 64.715 -1.759 1
1 293 . 10 1 1 A 32 32 VAL HA H 32 4.574 3.747 0.827 1
1 294 . 10 1 1 A 32 32 VAL CB C 32 35.415 31.865 3.550 1
1 304 . 10 1 1 A 32 32 VAL C C 32 176.810 175.796 1.014 1
1 305 . 10 1 1 A 33 33 TYR N N 33 121.116 116.046 5.070 1
1 306 . 10 1 1 A 33 33 TYR H H 33 8.638 7.359 1.279 1
1 307 . 10 1 1 A 33 33 TYR CA C 33 56.523 55.947 0.576 1
1 308 . 10 1 1 A 33 33 TYR HA H 33 5.639 5.010 0.629 1
1 309 . 10 1 1 A 33 33 TYR CB C 33 42.165 41.114 1.051 1
1 319 . 10 1 1 A 33 33 TYR C C 33 172.858 173.906 -1.048 1
1 321 . 10 1 1 A 34 34 GLY N N 34 107.313 106.851 0.462 1
1 322 . 10 1 1 A 34 34 GLY H H 34 7.637 8.602 -0.965 1
1 323 . 10 1 1 A 34 34 GLY CA C 34 44.721 46.140 -1.419 1
1 324 . 10 1 1 A 34 34 GLY HA3 H 34 3.793 4.521 -0.728 1
1 325 . 10 1 1 A 34 34 GLY C C 34 170.727 171.837 -1.110 1
1 326 . 10 1 1 A 34 34 GLY HA2 H 34 3.873 4.461 -0.588 1
1 327 . 10 1 1 A 35 35 VAL N N 35 120.853 119.987 0.866 1
1 328 . 10 1 1 A 35 35 VAL H H 35 8.731 8.330 0.401 1
1 329 . 10 1 1 A 35 35 VAL CA C 35 60.627 60.726 -0.099 1
1 330 . 10 1 1 A 35 35 VAL HA H 35 4.589 4.961 -0.372 1
1 331 . 10 1 1 A 35 35 VAL CB C 35 35.374 35.960 -0.586 1
1 341 . 10 1 1 A 35 35 VAL C C 35 174.813 174.981 -0.168 1
1 342 . 10 1 1 A 36 36 ALA N N 36 127.708 128.432 -0.724 1
1 343 . 10 1 1 A 36 36 ALA H H 36 8.482 8.965 -0.483 1
1 344 . 10 1 1 A 36 36 ALA CA C 36 53.332 52.880 0.452 1
1 345 . 10 1 1 A 36 36 ALA HA H 36 3.535 4.196 -0.661 1
1 346 . 10 1 1 A 36 36 ALA CB C 36 17.653 18.944 -1.291 1
1 350 . 10 1 1 A 36 36 ALA C C 36 176.968 178.091 -1.123 1
1 351 . 10 1 1 A 37 37 ASN N N 37 111.234 116.551 -5.317 1
1 352 . 10 1 1 A 37 37 ASN H H 37 9.147 8.990 0.157 1
1 353 . 10 1 1 A 37 37 ASN CA C 37 55.728 54.308 1.420 1
1 354 . 10 1 1 A 37 37 ASN HA H 37 3.962 4.250 -0.288 1
1 355 . 10 1 1 A 37 37 ASN CB C 37 37.147 36.980 0.167 1
1 360 . 10 1 1 A 37 37 ASN C C 37 173.119 173.908 -0.789 1
1 362 . 10 1 1 A 38 38 LYS N N 38 119.100 116.570 2.530 1
1 363 . 10 1 1 A 38 38 LYS H H 38 7.972 7.435 0.537 1
1 364 . 10 1 1 A 38 38 LYS CA C 38 54.306 54.189 0.117 1
1 365 . 10 1 1 A 38 38 LYS HA H 38 4.606 4.915 -0.309 1
1 366 . 10 1 1 A 38 38 LYS CB C 38 34.799 36.704 -1.905 1
1 374 . 10 1 1 A 38 38 LYS C C 38 175.533 175.229 0.304 1
1 379 . 10 1 1 A 39 39 THR N N 39 114.730 113.205 1.525 1
1 380 . 10 1 1 A 39 39 THR H H 39 8.158 8.544 -0.386 1
1 381 . 10 1 1 A 39 39 THR CA C 39 63.302 60.603 2.699 1
1 382 . 10 1 1 A 39 39 THR HA H 39 4.138 4.814 -0.676 1
1 383 . 10 1 1 A 39 39 THR CB C 39 69.652 70.121 -0.469 1
1 389 . 10 1 1 A 39 39 THR C C 39 174.281 173.617 0.664 1
1 390 . 10 1 1 A 40 40 ALA N N 40 129.891 124.998 4.893 1
1 391 . 10 1 1 A 40 40 ALA H H 40 8.750 8.503 0.247 1
1 392 . 10 1 1 A 40 40 ALA CA C 40 50.399 51.479 -1.080 1
1 393 . 10 1 1 A 40 40 ALA HA H 40 4.702 4.954 -0.252 1
1 394 . 10 1 1 A 40 40 ALA CB C 40 20.495 20.386 0.109 1
1 398 . 10 1 1 A 40 40 ALA C C 40 176.039 175.924 0.115 1
1 399 . 10 1 1 A 41 41 THR N N 41 112.902 118.734 -5.832 1
1 400 . 10 1 1 A 41 41 THR H H 41 8.536 8.904 -0.368 1
1 401 . 10 1 1 A 41 41 THR CA C 41 59.688 61.434 -1.746 1
1 402 . 10 1 1 A 41 41 THR HA H 41 5.779 5.308 0.471 1
1 403 . 10 1 1 A 41 41 THR CB C 41 72.348 71.249 1.099 1
1 409 . 10 1 1 A 41 41 THR C C 41 173.286 173.868 -0.582 1
1 410 . 10 1 1 A 42 42 PHE N N 42 119.525 121.007 -1.482 1
1 411 . 10 1 1 A 42 42 PHE H H 42 8.825 8.253 0.572 1
1 412 . 10 1 1 A 42 42 PHE CA C 42 57.031 55.236 1.795 1
1 413 . 10 1 1 A 42 42 PHE HA H 42 5.013 5.454 -0.441 1
1 414 . 10 1 1 A 42 42 PHE CB C 42 40.155 41.580 -1.425 1
1 426 . 10 1 1 A 42 42 PHE C C 42 171.282 173.090 -1.808 1
1 428 . 10 1 1 A 43 43 THR N N 43 117.427 114.667 2.760 1
1 429 . 10 1 1 A 43 43 THR H H 43 9.210 8.334 0.876 1
1 430 . 10 1 1 A 43 43 THR CA C 43 62.250 61.231 1.019 1
1 431 . 10 1 1 A 43 43 THR HA H 43 4.987 4.784 0.203 1
1 432 . 10 1 1 A 43 43 THR CB C 43 71.510 70.316 1.194 1
1 438 . 10 1 1 A 43 43 THR C C 43 173.061 173.513 -0.452 1
1 439 . 10 1 1 A 44 44 ILE N N 44 123.638 127.454 -3.816 1
1 440 . 10 1 1 A 44 44 ILE H H 44 8.859 8.717 0.142 1
1 441 . 10 1 1 A 44 44 ILE CA C 44 59.843 59.733 0.110 1
1 442 . 10 1 1 A 44 44 ILE HA H 44 4.824 4.851 -0.027 1
1 443 . 10 1 1 A 44 44 ILE CB C 44 40.866 39.960 0.906 1
1 455 . 10 1 1 A 44 44 ILE C C 44 174.707 175.137 -0.430 1
1 457 . 10 1 1 A 45 45 VAL N N 45 128.904 129.022 -0.118 1
1 458 . 10 1 1 A 45 45 VAL H H 45 9.299 9.015 0.284 1
1 459 . 10 1 1 A 45 45 VAL CA C 45 62.119 62.064 0.055 1
1 460 . 10 1 1 A 45 45 VAL HA H 45 4.492 4.509 -0.017 1
1 461 . 10 1 1 A 45 45 VAL CB C 45 32.683 31.373 1.310 1
1 471 . 10 1 1 A 45 45 VAL C C 45 175.606 174.656 0.950 1
1 472 . 10 1 1 A 46 46 THR N N 46 117.412 119.079 -1.667 1
1 473 . 10 1 1 A 46 46 THR H H 46 8.434 8.679 -0.245 1
1 474 . 10 1 1 A 46 46 THR CA C 46 60.650 60.128 0.522 1
1 475 . 10 1 1 A 46 46 THR HA H 46 4.505 4.799 -0.294 1
1 476 . 10 1 1 A 46 46 THR CB C 46 69.432 68.973 0.459 1
1 482 . 10 1 1 A 46 46 THR C C 46 174.882 173.746 1.136 1
1 483 . 10 1 1 A 47 47 GLU N N 47 122.657 126.663 -4.006 1
1 484 . 10 1 1 A 47 47 GLU H H 47 8.052 8.416 -0.364 1
1 485 . 10 1 1 A 47 47 GLU CA C 47 57.419 57.152 0.267 1
1 486 . 10 1 1 A 47 47 GLU HA H 47 4.231 4.160 0.071 1
1 487 . 10 1 1 A 47 47 GLU CB C 47 30.281 29.517 0.764 1
1 491 . 10 1 1 A 47 47 GLU C C 47 175.887 176.537 -0.650 1
1 494 . 10 1 1 A 48 48 ASP N N 48 120.269 123.233 -2.964 1
1 495 . 10 1 1 A 48 48 ASP H H 48 8.536 9.208 -0.672 1
1 496 . 10 1 1 A 48 48 ASP CA C 48 54.396 55.484 -1.088 1
1 497 . 10 1 1 A 48 48 ASP HA H 48 4.638 4.248 0.390 1
1 498 . 10 1 1 A 48 48 ASP CB C 48 40.979 39.000 1.979 1
1 500 . 10 1 1 A 48 48 ASP C C 48 175.709 175.459 0.250 1
1 502 . 10 1 1 A 49 49 ALA N N 49 122.506 119.770 2.736 1
1 503 . 10 1 1 A 49 49 ALA H H 49 8.109 7.933 0.176 1
1 504 . 10 1 1 A 49 49 ALA CA C 49 52.774 52.687 0.087 1
1 505 . 10 1 1 A 49 49 ALA HA H 49 4.195 4.287 -0.092 1
1 506 . 10 1 1 A 49 49 ALA CB C 49 19.343 20.186 -0.843 1
1 510 . 10 1 1 A 49 49 ALA C C 49 178.316 178.468 -0.152 1
1 511 . 10 1 1 A 50 50 GLY N N 50 107.563 105.598 1.965 1
1 512 . 10 1 1 A 50 50 GLY H H 50 8.269 7.885 0.384 1
1 513 . 10 1 1 A 50 50 GLY CA C 50 45.288 47.426 -2.138 1
1 514 . 10 1 1 A 50 50 GLY HA3 H 50 3.993 3.912 0.081 1
1 515 . 10 1 1 A 50 50 GLY C C 50 174.421 173.488 0.933 1
1 516 . 10 1 1 A 50 50 GLY HA2 H 50 3.993 3.911 0.082 1
1 517 . 10 1 1 A 51 51 GLU N N 51 121.358 120.607 0.751 1
1 518 . 10 1 1 A 51 51 GLU H H 51 8.519 8.355 0.164 1
1 519 . 10 1 1 A 51 51 GLU CA C 51 56.890 54.956 1.934 1
1 520 . 10 1 1 A 51 51 GLU HA H 51 4.309 4.934 -0.625 1
1 521 . 10 1 1 A 51 51 GLU CB C 51 30.204 32.856 -2.652 1
1 525 . 10 1 1 A 51 51 GLU C C 51 177.003 175.670 1.333 1
1 528 . 10 1 1 A 52 52 GLY N N 52 109.575 109.585 -0.010 1
1 529 . 10 1 1 A 52 52 GLY H H 52 8.349 8.475 -0.126 1
1 530 . 10 1 1 A 52 52 GLY CA C 52 45.571 45.586 -0.015 1
1 531 . 10 1 1 A 52 52 GLY HA3 H 52 3.895 4.272 -0.377 1
1 532 . 10 1 1 A 52 52 GLY C C 52 173.666 174.534 -0.868 1
1 533 . 10 1 1 A 52 52 GLY HA2 H 52 3.810 4.259 -0.449 1
1 534 . 10 1 1 A 53 53 GLY N N 53 106.657 105.825 0.832 1
1 535 . 10 1 1 A 53 53 GLY H H 53 7.893 7.589 0.304 1
1 536 . 10 1 1 A 53 53 GLY CA C 53 45.199 45.725 -0.526 1
1 537 . 10 1 1 A 53 53 GLY HA3 H 53 3.613 4.162 -0.549 1
1 538 . 10 1 1 A 53 53 GLY C C 53 173.414 173.317 0.097 1
1 539 . 10 1 1 A 53 53 GLY HA2 H 53 4.036 4.146 -0.110 1
1 540 . 10 1 1 A 54 54 LEU N N 54 124.121 123.274 0.847 1
1 541 . 10 1 1 A 54 54 LEU H H 54 8.241 8.554 -0.313 1
1 542 . 10 1 1 A 54 54 LEU CA C 54 54.528 53.997 0.531 1
1 543 . 10 1 1 A 54 54 LEU HA H 54 5.056 4.853 0.203 1
1 544 . 10 1 1 A 54 54 LEU CB C 54 44.325 44.423 -0.098 1
1 556 . 10 1 1 A 54 54 LEU C C 54 176.080 174.265 1.815 1
1 558 . 10 1 1 A 55 55 ASP N N 55 126.024 125.209 0.815 1
1 559 . 10 1 1 A 55 55 ASP H H 55 8.981 8.513 0.468 1
1 560 . 10 1 1 A 55 55 ASP CA C 55 54.095 52.831 1.264 1
1 561 . 10 1 1 A 55 55 ASP HA H 55 4.879 5.269 -0.390 1
1 562 . 10 1 1 A 55 55 ASP CB C 55 44.582 43.581 1.001 1
1 564 . 10 1 1 A 55 55 ASP C C 55 173.601 174.499 -0.898 1
1 566 . 10 1 1 A 56 56 LEU N N 56 125.098 125.257 -0.159 1
1 567 . 10 1 1 A 56 56 LEU H H 56 8.300 9.057 -0.757 1
1 568 . 10 1 1 A 56 56 LEU CA C 56 53.221 53.580 -0.359 1
1 569 . 10 1 1 A 56 56 LEU HA H 56 5.422 5.102 0.320 1
1 570 . 10 1 1 A 56 56 LEU CB C 56 46.028 43.595 2.433 1
1 582 . 10 1 1 A 56 56 LEU C C 56 175.700 175.695 0.005 1
1 584 . 10 1 1 A 57 57 ALA N N 57 125.664 124.636 1.028 1
1 585 . 10 1 1 A 57 57 ALA H H 57 8.840 8.586 0.254 1
1 586 . 10 1 1 A 57 57 ALA CA C 57 51.851 51.881 -0.030 1
1 587 . 10 1 1 A 57 57 ALA HA H 57 4.600 5.019 -0.419 1
1 588 . 10 1 1 A 57 57 ALA CB C 57 22.862 21.542 1.320 1
1 592 . 10 1 1 A 57 57 ALA C C 57 174.504 175.839 -1.335 1
1 593 . 10 1 1 A 58 58 ILE N N 58 119.429 123.977 -4.548 1
1 594 . 10 1 1 A 58 58 ILE H H 58 8.617 8.936 -0.319 1
1 595 . 10 1 1 A 58 58 ILE CA C 58 60.143 59.736 0.407 1
1 596 . 10 1 1 A 58 58 ILE HA H 58 5.272 4.811 0.461 1
1 597 . 10 1 1 A 58 58 ILE CB C 58 41.068 40.068 1.000 1
1 609 . 10 1 1 A 58 58 ILE C C 58 175.328 175.220 0.108 1
1 611 . 10 1 1 A 59 59 GLU N N 59 128.665 123.649 5.016 1
1 612 . 10 1 1 A 59 59 GLU H H 59 9.315 8.961 0.354 1
1 613 . 10 1 1 A 59 59 GLU CA C 59 54.166 54.841 -0.675 1
1 614 . 10 1 1 A 59 59 GLU HA H 59 4.920 5.130 -0.210 1
1 615 . 10 1 1 A 59 59 GLU CB C 59 32.698 33.287 -0.589 1
1 619 . 10 1 1 A 59 59 GLU C C 59 175.108 175.494 -0.386 1
1 622 . 10 1 1 A 60 60 GLY N N 60 110.929 108.649 2.280 1
1 623 . 10 1 1 A 60 60 GLY H H 60 8.427 8.332 0.095 1
1 624 . 10 1 1 A 60 60 GLY CA C 60 45.608 44.617 0.991 1
1 625 . 10 1 1 A 60 60 GLY HA3 H 60 3.927 4.136 -0.209 1
1 626 . 10 1 1 A 60 60 GLY C C 60 171.379 173.946 -2.567 1
1 627 . 10 1 1 A 60 60 GLY HA2 H 60 3.531 3.993 -0.462 1
1 628 . 10 1 1 A 61 61 PRO CA C 61 64.103 63.925 0.178 1
1 629 . 10 1 1 A 61 61 PRO HA H 61 4.270 4.427 -0.157 1
1 630 . 10 1 1 A 61 61 PRO CB C 61 32.206 31.880 0.326 1
1 636 . 10 1 1 A 61 61 PRO C C 61 176.075 175.898 0.177 1
1 640 . 10 1 1 A 62 62 SER N N 62 108.474 112.078 -3.604 1
1 641 . 10 1 1 A 62 62 SER H H 62 7.099 7.497 -0.398 1
1 642 . 10 1 1 A 62 62 SER CA C 62 56.398 57.260 -0.862 1
1 643 . 10 1 1 A 62 62 SER HA H 62 4.655 4.702 -0.047 1
1 644 . 10 1 1 A 62 62 SER CB C 62 67.457 65.545 1.912 1
1 646 . 10 1 1 A 62 62 SER C C 62 172.805 172.650 0.155 1
1 648 . 10 1 1 A 63 63 LYS N N 63 122.679 123.329 -0.650 1
1 649 . 10 1 1 A 63 63 LYS H H 63 8.653 8.345 0.308 1
1 650 . 10 1 1 A 63 63 LYS CA C 63 55.822 56.233 -0.411 1
1 651 . 10 1 1 A 63 63 LYS HA H 63 4.449 4.792 -0.343 1
1 652 . 10 1 1 A 63 63 LYS CB C 63 31.384 33.173 -1.789 1
1 660 . 10 1 1 A 63 63 LYS C C 63 175.601 175.558 0.043 1
1 665 . 10 1 1 A 64 64 ALA N N 64 130.710 127.654 3.056 1
1 666 . 10 1 1 A 64 64 ALA H H 64 8.690 8.942 -0.252 1
1 667 . 10 1 1 A 64 64 ALA CA C 64 51.425 50.306 1.119 1
1 668 . 10 1 1 A 64 64 ALA HA H 64 4.578 5.214 -0.636 1
1 669 . 10 1 1 A 64 64 ALA CB C 64 19.803 21.211 -1.408 1
1 673 . 10 1 1 A 64 64 ALA C C 64 176.395 176.725 -0.330 1
1 674 . 10 1 1 A 65 65 GLU N N 65 123.534 122.260 1.274 1
1 675 . 10 1 1 A 65 65 GLU H H 65 8.397 8.608 -0.211 1
1 676 . 10 1 1 A 65 65 GLU CA C 65 56.854 56.405 0.449 1
1 677 . 10 1 1 A 65 65 GLU HA H 65 4.278 4.300 -0.022 1
1 678 . 10 1 1 A 65 65 GLU CB C 65 30.346 30.195 0.151 1
1 682 . 10 1 1 A 65 65 GLU C C 65 176.381 176.423 -0.042 1
1 685 . 10 1 1 A 66 66 ILE N N 66 124.380 122.118 2.262 1
1 686 . 10 1 1 A 66 66 ILE H H 66 8.541 8.551 -0.010 1
1 687 . 10 1 1 A 66 66 ILE CA C 66 60.568 60.350 0.218 1
1 688 . 10 1 1 A 66 66 ILE HA H 66 4.865 4.941 -0.076 1
1 689 . 10 1 1 A 66 66 ILE CB C 66 41.804 41.508 0.296 1
1 701 . 10 1 1 A 66 66 ILE C C 66 175.421 175.146 0.275 1
1 703 . 10 1 1 A 67 67 SER N N 67 122.057 125.815 -3.758 1
1 704 . 10 1 1 A 67 67 SER H H 67 9.035 8.935 0.100 1
1 705 . 10 1 1 A 67 67 SER CA C 67 56.908 57.746 -0.838 1
1 706 . 10 1 1 A 67 67 SER HA H 67 4.729 4.987 -0.258 1
1 707 . 10 1 1 A 67 67 SER CB C 67 64.980 64.138 0.842 1
1 709 . 10 1 1 A 67 67 SER C C 67 172.294 173.510 -1.216 1
1 711 . 10 1 1 A 68 68 CYS N N 68 124.699 124.208 0.491 1
1 712 . 10 1 1 A 68 68 CYS H H 68 8.732 8.288 0.444 1
1 713 . 10 1 1 A 68 68 CYS CA C 68 57.310 58.503 -1.193 1
1 714 . 10 1 1 A 68 68 CYS HA H 68 5.038 4.626 0.412 1
1 715 . 10 1 1 A 68 68 CYS CB C 68 28.380 27.413 0.967 1
1 717 . 10 1 1 A 68 68 CYS C C 68 173.135 174.782 -1.647 1
1 719 . 10 1 1 A 69 69 ILE N N 69 128.680 125.778 2.902 1
1 720 . 10 1 1 A 69 69 ILE H H 69 8.757 8.914 -0.157 1
1 721 . 10 1 1 A 69 69 ILE CA C 69 59.153 60.377 -1.224 1
1 722 . 10 1 1 A 69 69 ILE HA H 69 4.350 4.702 -0.352 1
1 723 . 10 1 1 A 69 69 ILE CB C 69 40.750 41.061 -0.311 1
1 735 . 10 1 1 A 69 69 ILE C C 69 174.363 174.062 0.301 1
1 737 . 10 1 1 A 70 70 ASP N N 70 126.290 128.285 -1.995 1
1 738 . 10 1 1 A 70 70 ASP H H 70 8.596 8.900 -0.304 1
1 739 . 10 1 1 A 70 70 ASP CA C 70 53.671 53.819 -0.148 1
1 740 . 10 1 1 A 70 70 ASP HA H 70 4.892 5.079 -0.187 1
1 741 . 10 1 1 A 70 70 ASP CB C 70 41.069 42.635 -1.566 1
1 743 . 10 1 1 A 70 70 ASP C C 70 176.812 174.873 1.939 1
1 745 . 10 1 1 A 71 71 ASN N N 71 125.163 123.658 1.505 1
1 746 . 10 1 1 A 71 71 ASN H H 71 8.745 9.008 -0.263 1
1 747 . 10 1 1 A 71 71 ASN CA C 71 54.626 51.965 2.661 1
1 748 . 10 1 1 A 71 71 ASN HA H 71 4.647 5.227 -0.580 1
1 749 . 10 1 1 A 71 71 ASN CB C 71 38.688 41.454 -2.766 1
1 754 . 10 1 1 A 71 71 ASN C C 71 175.657 175.062 0.595 1
1 756 . 10 1 1 A 72 72 LYS N N 72 114.425 123.367 -8.942 1
1 757 . 10 1 1 A 72 72 LYS H H 72 9.407 8.669 0.738 1
1 758 . 10 1 1 A 72 72 LYS CA C 72 57.535 55.147 2.388 1
1 759 . 10 1 1 A 72 72 LYS HA H 72 4.028 4.572 -0.544 1
1 760 . 10 1 1 A 72 72 LYS CB C 72 28.393 32.096 -3.703 1
1 768 . 10 1 1 A 72 72 LYS C C 72 175.123 176.690 -1.567 1
1 773 . 10 1 1 A 73 73 ASP N N 73 117.581 121.238 -3.657 1
1 774 . 10 1 1 A 73 73 ASP H H 73 7.881 8.099 -0.218 1
1 775 . 10 1 1 A 73 73 ASP CA C 73 52.274 53.639 -1.365 1
1 776 . 10 1 1 A 73 73 ASP HA H 73 4.769 4.821 -0.052 1
1 777 . 10 1 1 A 73 73 ASP CB C 73 41.210 42.791 -1.581 1
1 779 . 10 1 1 A 73 73 ASP C C 73 177.197 176.061 1.136 1
1 781 . 10 1 1 A 74 74 GLY N N 74 109.385 105.730 3.655 1
1 782 . 10 1 1 A 74 74 GLY H H 74 8.781 7.853 0.928 1
1 783 . 10 1 1 A 74 74 GLY CA C 74 45.179 45.416 -0.237 1
1 784 . 10 1 1 A 74 74 GLY HA3 H 74 3.673 4.056 -0.383 1
1 785 . 10 1 1 A 74 74 GLY C C 74 173.671 173.772 -0.101 1
1 786 . 10 1 1 A 74 74 GLY HA2 H 74 4.469 4.054 0.415 1
1 787 . 10 1 1 A 75 75 THR N N 75 110.220 110.684 -0.464 1
1 788 . 10 1 1 A 75 75 THR H H 75 8.179 7.678 0.501 1
1 789 . 10 1 1 A 75 75 THR CA C 75 59.843 59.466 0.377 1
1 790 . 10 1 1 A 75 75 THR HA H 75 5.678 4.975 0.703 1
1 791 . 10 1 1 A 75 75 THR CB C 75 73.810 72.079 1.731 1
1 797 . 10 1 1 A 75 75 THR C C 75 173.912 173.320 0.592 1
1 798 . 10 1 1 A 76 76 CYS N N 76 117.252 120.949 -3.697 1
1 799 . 10 1 1 A 76 76 CYS H H 76 9.295 8.333 0.962 1
1 800 . 10 1 1 A 76 76 CYS CA C 76 56.716 57.661 -0.945 1
1 801 . 10 1 1 A 76 76 CYS HA H 76 5.517 5.217 0.300 1
1 802 . 10 1 1 A 76 76 CYS CB C 76 31.176 30.219 0.957 1
1 804 . 10 1 1 A 76 76 CYS C C 76 174.083 173.210 0.873 1
1 806 . 10 1 1 A 77 77 THR N N 77 121.477 118.405 3.072 1
1 807 . 10 1 1 A 77 77 THR H H 77 9.137 8.665 0.472 1
1 808 . 10 1 1 A 77 77 THR CA C 77 62.565 61.584 0.981 1
1 809 . 10 1 1 A 77 77 THR HA H 77 4.592 5.006 -0.414 1
1 810 . 10 1 1 A 77 77 THR CB C 77 70.447 70.540 -0.093 1
1 816 . 10 1 1 A 77 77 THR C C 77 173.469 173.467 0.002 1
1 817 . 10 1 1 A 78 78 VAL N N 78 131.586 127.294 4.292 1
1 818 . 10 1 1 A 78 78 VAL H H 78 9.099 8.307 0.792 1
1 819 . 10 1 1 A 78 78 VAL CA C 78 60.604 60.682 -0.078 1
1 820 . 10 1 1 A 78 78 VAL HA H 78 4.672 4.631 0.041 1
1 821 . 10 1 1 A 78 78 VAL CB C 78 32.061 33.515 -1.454 1
1 831 . 10 1 1 A 78 78 VAL C C 78 174.618 174.804 -0.186 1
1 832 . 10 1 1 A 79 79 THR N N 79 120.071 123.126 -3.055 1
1 833 . 10 1 1 A 79 79 THR H H 79 8.782 8.454 0.328 1
1 834 . 10 1 1 A 79 79 THR CA C 79 59.685 61.962 -2.277 1
1 835 . 10 1 1 A 79 79 THR HA H 79 5.424 5.096 0.328 1
1 836 . 10 1 1 A 79 79 THR CB C 79 71.374 71.039 0.335 1
1 842 . 10 1 1 A 79 79 THR C C 79 173.250 173.639 -0.389 1
1 843 . 10 1 1 A 80 80 TYR N N 80 120.212 120.878 -0.666 1
1 844 . 10 1 1 A 80 80 TYR H H 80 9.132 8.416 0.716 1
1 845 . 10 1 1 A 80 80 TYR CA C 80 55.554 55.786 -0.232 1
1 846 . 10 1 1 A 80 80 TYR HA H 80 5.686 5.452 0.234 1
1 847 . 10 1 1 A 80 80 TYR CB C 80 42.143 41.721 0.422 1
1 857 . 10 1 1 A 80 80 TYR C C 80 172.856 172.456 0.400 1
1 859 . 10 1 1 A 81 81 LEU N N 81 121.355 123.382 -2.027 1
1 860 . 10 1 1 A 81 81 LEU H H 81 7.729 9.107 -1.378 1
1 861 . 10 1 1 A 81 81 LEU CA C 81 50.912 50.994 -0.082 1
1 862 . 10 1 1 A 81 81 LEU HA H 81 4.991 4.757 0.234 1
1 863 . 10 1 1 A 81 81 LEU CB C 81 43.636 44.971 -1.335 1
1 875 . 10 1 1 A 81 81 LEU C C 81 172.982 175.270 -2.288 1
1 877 . 10 1 1 A 82 82 PRO CA C 82 61.629 62.663 -1.034 1
1 878 . 10 1 1 A 82 82 PRO HA H 82 4.587 4.856 -0.269 1
1 879 . 10 1 1 A 82 82 PRO CB C 82 32.091 33.665 -1.574 1
1 885 . 10 1 1 A 82 82 PRO C C 82 177.683 176.907 0.776 1
1 889 . 10 1 1 A 83 83 THR N N 83 112.637 113.511 -0.874 1
1 890 . 10 1 1 A 83 83 THR H H 83 8.438 8.768 -0.330 1
1 891 . 10 1 1 A 83 83 THR CA C 83 62.207 62.573 -0.366 1
1 892 . 10 1 1 A 83 83 THR HA H 83 4.305 4.542 -0.237 1
1 893 . 10 1 1 A 83 83 THR CB C 83 69.155 70.308 -1.153 1
1 899 . 10 1 1 A 83 83 THR C C 83 173.582 174.302 -0.720 1
1 900 . 10 1 1 A 84 84 LEU N N 84 118.186 120.634 -2.448 1
1 901 . 10 1 1 A 84 84 LEU H H 84 6.839 7.712 -0.873 1
1 902 . 10 1 1 A 84 84 LEU CA C 84 51.513 51.659 -0.146 1
1 903 . 10 1 1 A 84 84 LEU HA H 84 4.976 4.909 0.067 1
1 904 . 10 1 1 A 84 84 LEU CB C 84 45.838 45.740 0.098 1
1 916 . 10 1 1 A 84 84 LEU C C 84 175.119 174.330 0.789 1
1 918 . 10 1 1 A 85 85 PRO CA C 85 62.660 63.177 -0.517 1
1 919 . 10 1 1 A 85 85 PRO HA H 85 4.347 4.761 -0.414 1
1 920 . 10 1 1 A 85 85 PRO CB C 85 32.801 31.979 0.822 1
1 926 . 10 1 1 A 85 85 PRO C C 85 174.117 176.063 -1.946 1
1 930 . 10 1 1 A 86 86 GLY N N 86 106.704 107.755 -1.051 1
1 931 . 10 1 1 A 86 86 GLY H H 86 9.065 8.130 0.935 1
1 932 . 10 1 1 A 86 86 GLY CA C 86 44.520 45.291 -0.771 1
1 933 . 10 1 1 A 86 86 GLY HA3 H 86 3.838 4.146 -0.308 1
1 934 . 10 1 1 A 86 86 GLY C C 86 171.468 173.057 -1.589 1
1 935 . 10 1 1 A 86 86 GLY HA2 H 86 4.408 4.042 0.366 1
1 936 . 10 1 1 A 87 87 ASP N N 87 120.573 119.700 0.873 1
1 937 . 10 1 1 A 87 87 ASP H H 87 8.275 8.348 -0.073 1
1 938 . 10 1 1 A 87 87 ASP CA C 87 53.500 53.536 -0.036 1
1 939 . 10 1 1 A 87 87 ASP HA H 87 5.498 4.980 0.518 1
1 940 . 10 1 1 A 87 87 ASP CB C 87 40.877 39.681 1.196 1
1 942 . 10 1 1 A 87 87 ASP C C 87 176.069 175.400 0.669 1
1 944 . 10 1 1 A 88 88 TYR N N 88 124.115 125.618 -1.503 1
1 945 . 10 1 1 A 88 88 TYR H H 88 9.510 8.505 1.005 1
1 946 . 10 1 1 A 88 88 TYR CA C 88 56.667 58.822 -2.155 1
1 947 . 10 1 1 A 88 88 TYR HA H 88 4.983 4.825 0.158 1
1 948 . 10 1 1 A 88 88 TYR CB C 88 39.633 38.962 0.671 1
1 958 . 10 1 1 A 88 88 TYR C C 88 174.533 175.500 -0.967 1
1 960 . 10 1 1 A 89 89 SER N N 89 118.331 121.257 -2.926 1
1 961 . 10 1 1 A 89 89 SER H H 89 9.200 8.898 0.302 1
1 962 . 10 1 1 A 89 89 SER CA C 89 56.737 58.127 -1.390 1
1 963 . 10 1 1 A 89 89 SER HA H 89 5.346 4.798 0.548 1
1 964 . 10 1 1 A 89 89 SER CB C 89 64.421 62.984 1.437 1
1 966 . 10 1 1 A 89 89 SER C C 89 173.462 173.616 -0.154 1
1 968 . 10 1 1 A 90 90 ILE N N 90 127.805 126.994 0.811 1
1 969 . 10 1 1 A 90 90 ILE H H 90 9.536 8.591 0.945 1
1 970 . 10 1 1 A 90 90 ILE CA C 90 61.209 61.446 -0.237 1
1 971 . 10 1 1 A 90 90 ILE HA H 90 4.505 4.350 0.155 1
1 972 . 10 1 1 A 90 90 ILE CB C 90 39.225 37.827 1.398 1
1 984 . 10 1 1 A 90 90 ILE C C 90 174.259 175.437 -1.178 1
1 986 . 10 1 1 A 91 91 LEU N N 91 129.968 128.119 1.849 1
1 987 . 10 1 1 A 91 91 LEU H H 91 9.354 9.015 0.339 1
1 988 . 10 1 1 A 91 91 LEU CA C 91 55.510 53.235 2.275 1
1 989 . 10 1 1 A 91 91 LEU HA H 91 4.774 5.249 -0.475 1
1 990 . 10 1 1 A 91 91 LEU CB C 91 42.674 43.582 -0.908 1
1 1002 . 10 1 1 A 91 91 LEU C C 91 175.517 175.834 -0.317 1
1 1004 . 10 1 1 A 92 92 VAL N N 92 124.859 124.384 0.475 1
1 1005 . 10 1 1 A 92 92 VAL H H 92 9.431 9.144 0.287 1
1 1006 . 10 1 1 A 92 92 VAL CA C 92 61.488 60.933 0.555 1
1 1007 . 10 1 1 A 92 92 VAL HA H 92 4.626 4.961 -0.335 1
1 1008 . 10 1 1 A 92 92 VAL CB C 92 33.437 35.018 -1.581 1
1 1018 . 10 1 1 A 92 92 VAL C C 92 173.589 174.260 -0.671 1
1 1019 . 10 1 1 A 93 93 LYS N N 93 123.909 125.996 -2.087 1
1 1020 . 10 1 1 A 93 93 LYS H H 93 8.660 8.503 0.157 1
1 1021 . 10 1 1 A 93 93 LYS CA C 93 53.953 54.090 -0.137 1
1 1022 . 10 1 1 A 93 93 LYS HA H 93 5.017 4.822 0.195 1
1 1023 . 10 1 1 A 93 93 LYS CB C 93 36.475 35.491 0.984 1
1 1031 . 10 1 1 A 93 93 LYS C C 93 174.746 175.269 -0.523 1
1 1036 . 10 1 1 A 94 94 TYR N N 94 120.499 120.339 0.160 1
1 1037 . 10 1 1 A 94 94 TYR H H 94 8.821 8.522 0.299 1
1 1038 . 10 1 1 A 94 94 TYR CA C 94 56.438 56.659 -0.221 1
1 1039 . 10 1 1 A 94 94 TYR HA H 94 5.161 4.972 0.189 1
1 1040 . 10 1 1 A 94 94 TYR CB C 94 41.931 40.826 1.105 1
1 1050 . 10 1 1 A 94 94 TYR C C 94 176.635 176.133 0.502 1
1 1052 . 10 1 1 A 95 95 ASN N N 95 128.155 123.574 4.581 1
1 1053 . 10 1 1 A 95 95 ASN H H 95 8.872 9.772 -0.900 1
1 1054 . 10 1 1 A 95 95 ASN CA C 95 54.360 54.174 0.186 1
1 1055 . 10 1 1 A 95 95 ASN HA H 95 4.215 4.435 -0.220 1
1 1056 . 10 1 1 A 95 95 ASN CB C 95 36.735 37.306 -0.571 1
1 1061 . 10 1 1 A 95 95 ASN C C 95 174.592 174.191 0.401 1
1 1063 . 10 1 1 A 96 96 ASP N N 96 110.440 116.730 -6.290 1
1 1064 . 10 1 1 A 96 96 ASP H H 96 9.304 8.525 0.779 1
1 1065 . 10 1 1 A 96 96 ASP CA C 96 55.920 55.342 0.578 1
1 1066 . 10 1 1 A 96 96 ASP HA H 96 4.030 4.209 -0.179 1
1 1067 . 10 1 1 A 96 96 ASP CB C 96 40.704 39.832 0.872 1
1 1069 . 10 1 1 A 96 96 ASP C C 96 174.657 174.755 -0.098 1
1 1071 . 10 1 1 A 97 97 LYS N N 97 118.806 117.324 1.482 1
1 1072 . 10 1 1 A 97 97 LYS H H 97 7.482 7.566 -0.084 1
1 1073 . 10 1 1 A 97 97 LYS CA C 97 54.378 54.965 -0.587 1
1 1074 . 10 1 1 A 97 97 LYS HA H 97 4.715 4.743 -0.028 1
1 1075 . 10 1 1 A 97 97 LYS CB C 97 35.127 35.202 -0.075 1
1 1083 . 10 1 1 A 97 97 LYS C C 97 176.499 175.707 0.792 1
1 1088 . 10 1 1 A 98 98 HIS N N 98 124.063 123.307 0.756 1
1 1089 . 10 1 1 A 98 98 HIS H H 98 8.795 8.707 0.088 1
1 1090 . 10 1 1 A 98 98 HIS CA C 98 58.870 57.521 1.349 1
1 1091 . 10 1 1 A 98 98 HIS HA H 98 4.496 4.541 -0.045 1
1 1092 . 10 1 1 A 98 98 HIS CB C 98 32.178 30.414 1.764 1
1 1098 . 10 1 1 A 98 98 HIS C C 98 177.720 175.862 1.858 1
1 1100 . 10 1 1 A 99 99 ILE N N 99 120.049 122.118 -2.069 1
1 1101 . 10 1 1 A 99 99 ILE H H 99 8.380 8.364 0.016 1
1 1102 . 10 1 1 A 99 99 ILE CA C 99 60.674 59.895 0.779 1
1 1103 . 10 1 1 A 99 99 ILE HA H 99 4.696 4.406 0.290 1
1 1104 . 10 1 1 A 99 99 ILE CB C 99 35.539 37.990 -2.451 1
1 1116 . 10 1 1 A 99 99 ILE C C 99 173.419 174.873 -1.454 1
1 1118 . 10 1 1 A 100 100 PRO CA C 100 65.343 63.714 1.629 1
1 1119 . 10 1 1 A 100 100 PRO HA H 100 4.255 4.302 -0.047 1
1 1120 . 10 1 1 A 100 100 PRO CB C 100 31.128 31.236 -0.108 1
1 1126 . 10 1 1 A 100 100 PRO C C 100 176.734 177.416 -0.682 1
1 1130 . 10 1 1 A 101 101 GLY N N 101 113.906 113.249 0.657 1
1 1131 . 10 1 1 A 101 101 GLY H H 101 8.167 8.848 -0.681 1
1 1132 . 10 1 1 A 101 101 GLY CA C 101 44.668 44.974 -0.306 1
1 1133 . 10 1 1 A 101 101 GLY HA3 H 101 3.120 4.019 -0.899 1
1 1134 . 10 1 1 A 101 101 GLY C C 101 171.985 174.299 -2.314 1
1 1135 . 10 1 1 A 101 101 GLY HA2 H 101 4.140 3.940 0.200 1
1 1136 . 10 1 1 A 102 102 SER N N 102 112.418 115.689 -3.271 1
1 1137 . 10 1 1 A 102 102 SER H H 102 7.641 7.540 0.101 1
1 1138 . 10 1 1 A 102 102 SER CA C 102 54.770 56.074 -1.304 1
1 1139 . 10 1 1 A 102 102 SER HA H 102 4.107 3.682 0.425 1
1 1140 . 10 1 1 A 102 102 SER CB C 102 62.454 63.546 -1.092 1
1 1142 . 10 1 1 A 102 102 SER C C 102 174.682 173.486 1.196 1
1 1144 . 10 1 1 A 103 103 PRO CA C 103 62.301 62.065 0.236 1
1 1145 . 10 1 1 A 103 103 PRO HA H 103 5.363 4.397 0.966 1
1 1146 . 10 1 1 A 103 103 PRO CB C 103 33.964 32.692 1.272 1
1 1152 . 10 1 1 A 103 103 PRO C C 103 176.438 174.813 1.625 1
1 1156 . 10 1 1 A 104 104 PHE N N 104 126.067 119.447 6.620 1
1 1157 . 10 1 1 A 104 104 PHE H H 104 9.449 8.254 1.195 1
1 1158 . 10 1 1 A 104 104 PHE CA C 104 57.102 56.343 0.759 1
1 1159 . 10 1 1 A 104 104 PHE HA H 104 4.621 5.149 -0.528 1
1 1160 . 10 1 1 A 104 104 PHE CB C 104 40.656 42.496 -1.840 1
1 1170 . 10 1 1 A 104 104 PHE C C 104 176.313 174.659 1.654 1
1 1172 . 10 1 1 A 105 105 THR N N 105 118.402 117.936 0.466 1
1 1173 . 10 1 1 A 105 105 THR H H 105 8.842 9.068 -0.226 1
1 1174 . 10 1 1 A 105 105 THR CA C 105 62.018 61.660 0.358 1
1 1175 . 10 1 1 A 105 105 THR HA H 105 5.153 4.951 0.202 1
1 1176 . 10 1 1 A 105 105 THR CB C 105 70.095 69.561 0.534 1
1 1182 . 10 1 1 A 105 105 THR C C 105 172.525 173.462 -0.937 1
1 1183 . 10 1 1 A 106 106 ALA N N 106 131.132 130.531 0.601 1
1 1184 . 10 1 1 A 106 106 ALA H H 106 9.192 8.662 0.530 1
1 1185 . 10 1 1 A 106 106 ALA CA C 106 50.187 50.761 -0.574 1
1 1186 . 10 1 1 A 106 106 ALA HA H 106 4.435 5.233 -0.798 1
1 1187 . 10 1 1 A 106 106 ALA CB C 106 21.021 20.255 0.766 1
1 1191 . 10 1 1 A 106 106 ALA C C 106 176.136 176.409 -0.273 1
1 1192 . 10 1 1 A 107 107 LYS N N 107 122.751 123.781 -1.030 1
1 1193 . 10 1 1 A 107 107 LYS H H 107 7.746 9.291 -1.545 1
1 1194 . 10 1 1 A 107 107 LYS CA C 107 55.652 55.568 0.084 1
1 1195 . 10 1 1 A 107 107 LYS HA H 107 4.797 4.576 0.221 1
1 1196 . 10 1 1 A 107 107 LYS CB C 107 32.606 31.224 1.382 1
1 1204 . 10 1 1 A 107 107 LYS C C 107 174.648 175.459 -0.811 1
1 1209 . 10 1 1 A 108 108 ILE N N 108 127.629 125.711 1.918 1
1 1210 . 10 1 1 A 108 108 ILE H H 108 9.024 8.587 0.437 1
1 1211 . 10 1 1 A 108 108 ILE CA C 108 56.801 60.879 -4.078 1
1 1212 . 10 1 1 A 108 108 ILE HA H 108 4.688 4.924 -0.236 1
1 1213 . 10 1 1 A 108 108 ILE CB C 108 35.101 38.937 -3.836 1
1 1225 . 10 1 1 A 108 108 ILE C C 108 178.159 175.615 2.544 1
1 1227 . 10 1 1 A 109 109 THR N N 109 121.563 117.116 4.447 1
1 1228 . 10 1 1 A 109 109 THR H H 109 8.861 8.638 0.223 1
1 1229 . 10 1 1 A 109 109 THR CA C 109 60.745 59.783 0.962 1
1 1230 . 10 1 1 A 109 109 THR HA H 109 4.778 5.060 -0.282 1
1 1231 . 10 1 1 A 109 109 THR CB C 109 71.067 72.268 -1.201 1
1 1237 . 10 1 1 A 109 109 THR C C 109 173.421 171.813 1.608 1
1 1238 . 10 1 1 A 110 110 ASP N N 110 119.526 121.114 -1.588 1
1 1239 . 10 1 1 A 110 110 ASP H H 110 8.631 8.881 -0.250 1
1 1240 . 10 1 1 A 110 110 ASP CA C 110 53.971 52.736 1.235 1
1 1241 . 10 1 1 A 110 110 ASP HA H 110 4.729 5.438 -0.709 1
1 1242 . 10 1 1 A 110 110 ASP CB C 110 42.087 44.858 -2.771 1
1 1244 . 10 1 1 A 110 110 ASP C C 110 176.124 173.954 2.170 1
1 1246 . 10 1 1 A 111 111 ASP N N 111 122.287 127.139 -4.852 1
1 1247 . 10 1 1 A 111 111 ASP H H 111 8.638 8.950 -0.312 1
1 1248 . 10 1 1 A 111 111 ASP CA C 111 54.042 52.580 1.462 1
1 1249 . 10 1 1 A 111 111 ASP HA H 111 4.644 4.977 -0.333 1
1 1250 . 10 1 1 A 111 111 ASP CB C 111 41.218 41.008 0.210 1
1 1252 . 10 1 1 A 111 111 ASP C C 111 176.668 175.873 0.795 1
1 1254 . 10 1 1 A 112 112 SER N N 112 117.157 117.876 -0.719 1
1 1255 . 10 1 1 A 112 112 SER H H 112 8.416 8.368 0.048 1
1 1256 . 10 1 1 A 112 112 SER CA C 112 59.277 56.874 2.403 1
1 1257 . 10 1 1 A 112 112 SER HA H 112 4.348 4.645 -0.297 1
1 1258 . 10 1 1 A 112 112 SER CB C 112 63.943 62.981 0.962 1
1 1260 . 10 1 1 A 112 112 SER C C 112 174.721 173.952 0.769 1
1 1262 . 10 1 1 A 113 113 ARG N N 113 122.178 123.342 -1.164 1
1 1263 . 10 1 1 A 113 113 ARG H H 113 8.238 8.055 0.183 1
1 1264 . 10 1 1 A 113 113 ARG CA C 113 56.195 56.558 -0.363 1
1 1265 . 10 1 1 A 113 113 ARG HA H 113 4.347 4.466 -0.119 1
1 1266 . 10 1 1 A 113 113 ARG CB C 113 30.470 30.578 -0.108 1
1 1271 . 10 1 1 A 113 113 ARG C C 113 176.207 175.248 0.959 1
1 1275 . 10 1 1 A 114 114 ARG N N 114 122.696 126.715 -4.019 1
1 1276 . 10 1 1 A 114 114 ARG H H 114 8.338 8.568 -0.230 1
1 1277 . 10 1 1 A 114 114 ARG CA C 114 56.164 54.471 1.693 1
1 1278 . 10 1 1 A 114 114 ARG HA H 114 4.390 4.957 -0.567 1
1 1279 . 10 1 1 A 114 114 ARG CB C 114 30.679 34.272 -3.593 1
1 1285 . 10 1 1 A 114 114 ARG C C 114 175.468 175.170 0.298 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 44.699 45.585 -0.886 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.124 4.250 -0.126 1
1 3 . 11 1 1 A 7 7 GLY HA2 H 7 4.124 4.249 -0.125 1
1 4 . 11 1 1 A 8 8 PRO CA C 8 63.321 62.863 0.458 1
1 5 . 11 1 1 A 8 8 PRO HA H 8 4.418 4.660 -0.242 1
1 6 . 11 1 1 A 8 8 PRO CB C 8 32.104 31.740 0.364 1
1 12 . 11 1 1 A 8 8 PRO C C 8 177.159 176.243 0.916 1
1 16 . 11 1 1 A 9 9 GLU N N 9 120.837 118.547 2.290 1
1 17 . 11 1 1 A 9 9 GLU H H 9 8.612 8.581 0.031 1
1 18 . 11 1 1 A 9 9 GLU CA C 9 56.642 55.466 1.176 1
1 19 . 11 1 1 A 9 9 GLU HA H 9 4.282 4.933 -0.651 1
1 20 . 11 1 1 A 9 9 GLU CB C 9 30.181 33.342 -3.161 1
1 24 . 11 1 1 A 9 9 GLU C C 9 176.387 173.945 2.442 1
1 27 . 11 1 1 A 10 10 SER N N 10 117.776 120.424 -2.648 1
1 28 . 11 1 1 A 10 10 SER H H 10 8.264 8.886 -0.622 1
1 29 . 11 1 1 A 10 10 SER CA C 10 56.382 54.673 1.709 1
1 30 . 11 1 1 A 10 10 SER HA H 10 4.763 5.042 -0.279 1
1 31 . 11 1 1 A 10 10 SER CB C 10 63.575 63.863 -0.288 1
1 33 . 11 1 1 A 10 10 SER C C 10 172.958 172.660 0.298 1
1 35 . 11 1 1 A 11 11 PRO CA C 11 63.404 62.809 0.595 1
1 36 . 11 1 1 A 11 11 PRO HA H 11 4.432 4.663 -0.231 1
1 37 . 11 1 1 A 11 11 PRO CB C 11 31.958 31.906 0.052 1
1 43 . 11 1 1 A 11 11 PRO C C 11 176.922 175.917 1.005 1
1 47 . 11 1 1 A 12 12 LEU N N 12 121.245 123.733 -2.488 1
1 48 . 11 1 1 A 12 12 LEU H H 12 8.172 8.496 -0.324 1
1 49 . 11 1 1 A 12 12 LEU CA C 12 55.521 54.251 1.270 1
1 50 . 11 1 1 A 12 12 LEU HA H 12 4.236 4.691 -0.455 1
1 51 . 11 1 1 A 12 12 LEU CB C 12 42.138 43.034 -0.896 1
1 63 . 11 1 1 A 12 12 LEU C C 12 177.236 175.330 1.906 1
1 65 . 11 1 1 A 13 13 GLN N N 13 120.086 120.988 -0.902 1
1 66 . 11 1 1 A 13 13 GLN H H 13 8.098 8.223 -0.125 1
1 67 . 11 1 1 A 13 13 GLN CA C 13 55.785 53.737 2.048 1
1 68 . 11 1 1 A 13 13 GLN HA H 13 4.220 5.034 -0.814 1
1 69 . 11 1 1 A 13 13 GLN CB C 13 29.628 33.337 -3.709 1
1 76 . 11 1 1 A 13 13 GLN C C 13 175.243 174.610 0.633 1
1 79 . 11 1 1 A 14 14 PHE N N 14 120.461 117.320 3.141 1
1 80 . 11 1 1 A 14 14 PHE H H 14 8.056 8.839 -0.783 1
1 81 . 11 1 1 A 14 14 PHE CA C 14 57.739 56.409 1.330 1
1 82 . 11 1 1 A 14 14 PHE HA H 14 4.545 5.359 -0.814 1
1 83 . 11 1 1 A 14 14 PHE CB C 14 39.825 44.326 -4.501 1
1 95 . 11 1 1 A 14 14 PHE C C 14 175.022 174.199 0.823 1
1 97 . 11 1 1 A 15 15 TYR N N 15 121.213 117.989 3.224 1
1 98 . 11 1 1 A 15 15 TYR H H 15 8.004 9.058 -1.054 1
1 99 . 11 1 1 A 15 15 TYR CA C 15 57.756 57.053 0.703 1
1 100 . 11 1 1 A 15 15 TYR HA H 15 4.506 5.139 -0.633 1
1 101 . 11 1 1 A 15 15 TYR CB C 15 39.012 40.568 -1.556 1
1 111 . 11 1 1 A 15 15 TYR C C 15 175.174 173.284 1.890 1
1 113 . 11 1 1 A 16 16 VAL N N 16 121.693 119.884 1.809 1
1 114 . 11 1 1 A 16 16 VAL H H 16 7.900 8.846 -0.946 1
1 115 . 11 1 1 A 16 16 VAL CA C 16 62.248 60.518 1.730 1
1 116 . 11 1 1 A 16 16 VAL HA H 16 3.932 4.668 -0.736 1
1 117 . 11 1 1 A 16 16 VAL CB C 16 33.023 32.773 0.250 1
1 127 . 11 1 1 A 16 16 VAL C C 16 175.016 175.173 -0.157 1
1 128 . 11 1 1 A 17 17 ASN N N 17 121.488 126.358 -4.870 1
1 129 . 11 1 1 A 17 17 ASN H H 17 8.198 8.534 -0.336 1
1 130 . 11 1 1 A 17 17 ASN CA C 17 52.948 52.360 0.588 1
1 131 . 11 1 1 A 17 17 ASN HA H 17 4.630 4.820 -0.190 1
1 132 . 11 1 1 A 17 17 ASN CB C 17 39.289 39.038 0.251 1
1 137 . 11 1 1 A 17 17 ASN C C 17 174.167 174.001 0.166 1
1 139 . 11 1 1 A 18 18 TYR N N 18 122.069 118.805 3.264 1
1 140 . 11 1 1 A 18 18 TYR H H 18 8.117 7.400 0.717 1
1 141 . 11 1 1 A 18 18 TYR CA C 18 55.970 56.934 -0.964 1
1 142 . 11 1 1 A 18 18 TYR HA H 18 4.771 4.624 0.147 1
1 143 . 11 1 1 A 18 18 TYR CB C 18 38.260 38.963 -0.703 1
1 153 . 11 1 1 A 18 18 TYR C C 18 173.978 176.027 -2.049 1
1 155 . 11 1 1 A 19 19 PRO CA C 19 63.378 64.725 -1.347 1
1 156 . 11 1 1 A 19 19 PRO HA H 19 4.414 4.454 -0.040 1
1 157 . 11 1 1 A 19 19 PRO CB C 19 32.018 31.880 0.138 1
1 163 . 11 1 1 A 19 19 PRO C C 19 176.659 176.929 -0.270 1
1 167 . 11 1 1 A 20 20 ASN N N 20 118.582 117.742 0.840 1
1 168 . 11 1 1 A 20 20 ASN H H 20 8.508 7.916 0.592 1
1 169 . 11 1 1 A 20 20 ASN CA C 20 53.334 54.158 -0.824 1
1 170 . 11 1 1 A 20 20 ASN HA H 20 4.756 4.588 0.168 1
1 171 . 11 1 1 A 20 20 ASN CB C 20 38.964 38.835 0.129 1
1 176 . 11 1 1 A 20 20 ASN C C 20 175.301 174.566 0.735 1
1 178 . 11 1 1 A 21 21 SER N N 21 115.989 121.500 -5.511 1
1 179 . 11 1 1 A 21 21 SER H H 21 8.360 8.875 -0.515 1
1 180 . 11 1 1 A 21 21 SER CA C 21 58.877 57.987 0.890 1
1 181 . 11 1 1 A 21 21 SER HA H 21 4.481 5.047 -0.566 1
1 182 . 11 1 1 A 21 21 SER CB C 21 63.988 67.285 -3.297 1
1 184 . 11 1 1 A 21 21 SER C C 21 175.006 173.321 1.685 1
1 186 . 11 1 1 A 22 22 GLY N N 22 110.974 110.157 0.817 1
1 187 . 11 1 1 A 22 22 GLY H H 22 8.523 8.405 0.118 1
1 188 . 11 1 1 A 22 22 GLY CA C 22 45.429 46.088 -0.659 1
1 189 . 11 1 1 A 22 22 GLY HA3 H 22 4.074 4.324 -0.250 1
1 190 . 11 1 1 A 22 22 GLY C C 22 173.860 172.525 1.335 1
1 191 . 11 1 1 A 22 22 GLY HA2 H 22 4.074 4.322 -0.248 1
1 192 . 11 1 1 A 23 23 SER N N 23 115.179 116.243 -1.064 1
1 193 . 11 1 1 A 23 23 SER H H 23 8.190 8.696 -0.506 1
1 194 . 11 1 1 A 23 23 SER CA C 23 58.233 56.539 1.694 1
1 195 . 11 1 1 A 23 23 SER HA H 23 4.511 5.430 -0.919 1
1 196 . 11 1 1 A 23 23 SER CB C 23 64.511 67.091 -2.580 1
1 198 . 11 1 1 A 23 23 SER C C 23 173.263 173.050 0.213 1
1 200 . 11 1 1 A 24 24 VAL N N 24 122.289 119.880 2.409 1
1 201 . 11 1 1 A 24 24 VAL H H 24 7.889 8.507 -0.618 1
1 202 . 11 1 1 A 24 24 VAL CA C 24 61.754 60.226 1.528 1
1 203 . 11 1 1 A 24 24 VAL HA H 24 4.567 4.974 -0.407 1
1 204 . 11 1 1 A 24 24 VAL CB C 24 33.612 34.687 -1.075 1
1 214 . 11 1 1 A 24 24 VAL C C 24 174.799 174.613 0.186 1
1 215 . 11 1 1 A 25 25 SER N N 25 118.995 122.658 -3.663 1
1 216 . 11 1 1 A 25 25 SER H H 25 8.244 8.672 -0.428 1
1 217 . 11 1 1 A 25 25 SER CA C 25 57.102 57.568 -0.466 1
1 218 . 11 1 1 A 25 25 SER HA H 25 5.039 5.130 -0.091 1
1 219 . 11 1 1 A 25 25 SER CB C 25 66.338 66.415 -0.077 1
1 221 . 11 1 1 A 25 25 SER C C 25 171.718 172.648 -0.930 1
1 223 . 11 1 1 A 26 26 ALA N N 26 121.537 126.045 -4.508 1
1 224 . 11 1 1 A 26 26 ALA H H 26 8.503 8.813 -0.310 1
1 225 . 11 1 1 A 26 26 ALA CA C 26 50.695 50.222 0.473 1
1 226 . 11 1 1 A 26 26 ALA HA H 26 5.637 5.501 0.136 1
1 227 . 11 1 1 A 26 26 ALA CB C 26 23.364 21.931 1.433 1
1 231 . 11 1 1 A 26 26 ALA C C 26 175.355 176.148 -0.793 1
1 232 . 11 1 1 A 27 27 TYR N N 27 116.588 118.116 -1.528 1
1 233 . 11 1 1 A 27 27 TYR H H 27 8.885 8.570 0.315 1
1 234 . 11 1 1 A 27 27 TYR CA C 27 57.013 55.685 1.328 1
1 235 . 11 1 1 A 27 27 TYR HA H 27 4.742 5.275 -0.533 1
1 236 . 11 1 1 A 27 27 TYR CB C 27 40.325 41.528 -1.203 1
1 246 . 11 1 1 A 27 27 TYR C C 27 172.990 173.952 -0.962 1
1 248 . 11 1 1 A 28 28 GLY N N 28 108.423 106.936 1.487 1
1 249 . 11 1 1 A 28 28 GLY H H 28 8.475 8.362 0.113 1
1 250 . 11 1 1 A 28 28 GLY CA C 28 44.439 44.889 -0.450 1
1 251 . 11 1 1 A 28 28 GLY HA3 H 28 4.141 4.128 0.013 1
1 252 . 11 1 1 A 28 28 GLY C C 28 173.419 174.000 -0.581 1
1 253 . 11 1 1 A 28 28 GLY HA2 H 28 5.092 4.124 0.968 1
1 254 . 11 1 1 A 29 29 PRO CA C 29 65.537 63.952 1.585 1
1 255 . 11 1 1 A 29 29 PRO HA H 29 4.298 4.137 0.161 1
1 256 . 11 1 1 A 29 29 PRO CB C 29 31.509 31.729 -0.220 1
1 262 . 11 1 1 A 29 29 PRO C C 29 178.493 177.387 1.106 1
1 266 . 11 1 1 A 30 30 GLY N N 30 102.459 106.682 -4.223 1
1 267 . 11 1 1 A 30 30 GLY H H 30 8.655 8.335 0.320 1
1 268 . 11 1 1 A 30 30 GLY CA C 30 46.245 45.922 0.323 1
1 269 . 11 1 1 A 30 30 GLY HA3 H 30 3.417 4.034 -0.617 1
1 270 . 11 1 1 A 30 30 GLY C C 30 172.945 174.991 -2.046 1
1 271 . 11 1 1 A 30 30 GLY HA2 H 30 4.316 3.939 0.377 1
1 272 . 11 1 1 A 31 31 LEU N N 31 116.436 121.323 -4.887 1
1 273 . 11 1 1 A 31 31 LEU H H 31 7.049 7.389 -0.340 1
1 274 . 11 1 1 A 31 31 LEU CA C 31 55.368 56.907 -1.539 1
1 275 . 11 1 1 A 31 31 LEU HA H 31 3.784 4.049 -0.265 1
1 276 . 11 1 1 A 31 31 LEU CB C 31 42.148 42.195 -0.047 1
1 288 . 11 1 1 A 31 31 LEU C C 31 175.321 178.696 -3.375 1
1 290 . 11 1 1 A 32 32 VAL N N 32 112.078 117.781 -5.703 1
1 291 . 11 1 1 A 32 32 VAL H H 32 7.739 6.964 0.775 1
1 292 . 11 1 1 A 32 32 VAL CA C 32 62.956 64.945 -1.989 1
1 293 . 11 1 1 A 32 32 VAL HA H 32 4.574 3.629 0.945 1
1 294 . 11 1 1 A 32 32 VAL CB C 32 35.415 31.574 3.841 1
1 304 . 11 1 1 A 32 32 VAL C C 32 176.810 175.766 1.044 1
1 305 . 11 1 1 A 33 33 TYR N N 33 121.116 115.729 5.387 1
1 306 . 11 1 1 A 33 33 TYR H H 33 8.638 7.326 1.312 1
1 307 . 11 1 1 A 33 33 TYR CA C 33 56.523 55.943 0.580 1
1 308 . 11 1 1 A 33 33 TYR HA H 33 5.639 4.974 0.665 1
1 309 . 11 1 1 A 33 33 TYR CB C 33 42.165 41.320 0.845 1
1 319 . 11 1 1 A 33 33 TYR C C 33 172.858 173.897 -1.039 1
1 321 . 11 1 1 A 34 34 GLY N N 34 107.313 106.955 0.358 1
1 322 . 11 1 1 A 34 34 GLY H H 34 7.637 8.561 -0.924 1
1 323 . 11 1 1 A 34 34 GLY CA C 34 44.721 45.695 -0.974 1
1 324 . 11 1 1 A 34 34 GLY HA3 H 34 3.793 4.421 -0.628 1
1 325 . 11 1 1 A 34 34 GLY C C 34 170.727 171.558 -0.831 1
1 326 . 11 1 1 A 34 34 GLY HA2 H 34 3.873 4.356 -0.483 1
1 327 . 11 1 1 A 35 35 VAL N N 35 120.853 119.850 1.003 1
1 328 . 11 1 1 A 35 35 VAL H H 35 8.731 8.366 0.365 1
1 329 . 11 1 1 A 35 35 VAL CA C 35 60.627 60.497 0.130 1
1 330 . 11 1 1 A 35 35 VAL HA H 35 4.589 4.861 -0.272 1
1 331 . 11 1 1 A 35 35 VAL CB C 35 35.374 34.957 0.417 1
1 341 . 11 1 1 A 35 35 VAL C C 35 174.813 175.522 -0.709 1
1 342 . 11 1 1 A 36 36 ALA N N 36 127.708 130.698 -2.990 1
1 343 . 11 1 1 A 36 36 ALA H H 36 8.482 8.922 -0.440 1
1 344 . 11 1 1 A 36 36 ALA CA C 36 53.332 53.649 -0.317 1
1 345 . 11 1 1 A 36 36 ALA HA H 36 3.535 4.062 -0.527 1
1 346 . 11 1 1 A 36 36 ALA CB C 36 17.653 18.546 -0.893 1
1 350 . 11 1 1 A 36 36 ALA C C 36 176.968 178.231 -1.263 1
1 351 . 11 1 1 A 37 37 ASN N N 37 111.234 116.866 -5.632 1
1 352 . 11 1 1 A 37 37 ASN H H 37 9.147 9.021 0.126 1
1 353 . 11 1 1 A 37 37 ASN CA C 37 55.728 54.409 1.319 1
1 354 . 11 1 1 A 37 37 ASN HA H 37 3.962 4.297 -0.335 1
1 355 . 11 1 1 A 37 37 ASN CB C 37 37.147 37.165 -0.018 1
1 360 . 11 1 1 A 37 37 ASN C C 37 173.119 173.870 -0.751 1
1 362 . 11 1 1 A 38 38 LYS N N 38 119.100 117.081 2.019 1
1 363 . 11 1 1 A 38 38 LYS H H 38 7.972 7.551 0.421 1
1 364 . 11 1 1 A 38 38 LYS CA C 38 54.306 54.636 -0.330 1
1 365 . 11 1 1 A 38 38 LYS HA H 38 4.606 4.642 -0.036 1
1 366 . 11 1 1 A 38 38 LYS CB C 38 34.799 35.908 -1.109 1
1 374 . 11 1 1 A 38 38 LYS C C 38 175.533 176.124 -0.591 1
1 379 . 11 1 1 A 39 39 THR N N 39 114.730 116.305 -1.575 1
1 380 . 11 1 1 A 39 39 THR H H 39 8.158 8.549 -0.391 1
1 381 . 11 1 1 A 39 39 THR CA C 39 63.302 62.337 0.965 1
1 382 . 11 1 1 A 39 39 THR HA H 39 4.138 4.177 -0.039 1
1 383 . 11 1 1 A 39 39 THR CB C 39 69.652 69.769 -0.117 1
1 389 . 11 1 1 A 39 39 THR C C 39 174.281 173.942 0.339 1
1 390 . 11 1 1 A 40 40 ALA N N 40 129.891 122.837 7.054 1
1 391 . 11 1 1 A 40 40 ALA H H 40 8.750 8.572 0.178 1
1 392 . 11 1 1 A 40 40 ALA CA C 40 50.399 51.956 -1.557 1
1 393 . 11 1 1 A 40 40 ALA HA H 40 4.702 4.824 -0.122 1
1 394 . 11 1 1 A 40 40 ALA CB C 40 20.495 20.518 -0.023 1
1 398 . 11 1 1 A 40 40 ALA C C 40 176.039 175.404 0.635 1
1 399 . 11 1 1 A 41 41 THR N N 41 112.902 118.072 -5.170 1
1 400 . 11 1 1 A 41 41 THR H H 41 8.536 9.027 -0.491 1
1 401 . 11 1 1 A 41 41 THR CA C 41 59.688 59.731 -0.043 1
1 402 . 11 1 1 A 41 41 THR HA H 41 5.779 5.522 0.257 1
1 403 . 11 1 1 A 41 41 THR CB C 41 72.348 72.165 0.183 1
1 409 . 11 1 1 A 41 41 THR C C 41 173.286 173.027 0.259 1
1 410 . 11 1 1 A 42 42 PHE N N 42 119.525 119.778 -0.253 1
1 411 . 11 1 1 A 42 42 PHE H H 42 8.825 8.492 0.333 1
1 412 . 11 1 1 A 42 42 PHE CA C 42 57.031 55.463 1.568 1
1 413 . 11 1 1 A 42 42 PHE HA H 42 5.013 5.312 -0.299 1
1 414 . 11 1 1 A 42 42 PHE CB C 42 40.155 42.237 -2.082 1
1 426 . 11 1 1 A 42 42 PHE C C 42 171.282 172.654 -1.372 1
1 428 . 11 1 1 A 43 43 THR N N 43 117.427 115.442 1.985 1
1 429 . 11 1 1 A 43 43 THR H H 43 9.210 8.210 1.000 1
1 430 . 11 1 1 A 43 43 THR CA C 43 62.250 61.665 0.585 1
1 431 . 11 1 1 A 43 43 THR HA H 43 4.987 4.631 0.356 1
1 432 . 11 1 1 A 43 43 THR CB C 43 71.510 70.404 1.106 1
1 438 . 11 1 1 A 43 43 THR C C 43 173.061 173.652 -0.591 1
1 439 . 11 1 1 A 44 44 ILE N N 44 123.638 124.401 -0.763 1
1 440 . 11 1 1 A 44 44 ILE H H 44 8.859 8.151 0.708 1
1 441 . 11 1 1 A 44 44 ILE CA C 44 59.843 59.721 0.122 1
1 442 . 11 1 1 A 44 44 ILE HA H 44 4.824 4.605 0.219 1
1 443 . 11 1 1 A 44 44 ILE CB C 44 40.866 40.780 0.086 1
1 455 . 11 1 1 A 44 44 ILE C C 44 174.707 175.599 -0.892 1
1 457 . 11 1 1 A 45 45 VAL N N 45 128.904 128.083 0.821 1
1 458 . 11 1 1 A 45 45 VAL H H 45 9.299 8.660 0.639 1
1 459 . 11 1 1 A 45 45 VAL CA C 45 62.119 63.453 -1.334 1
1 460 . 11 1 1 A 45 45 VAL HA H 45 4.492 4.091 0.401 1
1 461 . 11 1 1 A 45 45 VAL CB C 45 32.683 31.041 1.642 1
1 471 . 11 1 1 A 45 45 VAL C C 45 175.606 175.650 -0.044 1
1 472 . 11 1 1 A 46 46 THR N N 46 117.412 118.730 -1.318 1
1 473 . 11 1 1 A 46 46 THR H H 46 8.434 8.790 -0.356 1
1 474 . 11 1 1 A 46 46 THR CA C 46 60.650 60.544 0.106 1
1 475 . 11 1 1 A 46 46 THR HA H 46 4.505 5.104 -0.599 1
1 476 . 11 1 1 A 46 46 THR CB C 46 69.432 70.516 -1.084 1
1 482 . 11 1 1 A 46 46 THR C C 46 174.882 173.559 1.323 1
1 483 . 11 1 1 A 47 47 GLU N N 47 122.657 124.536 -1.879 1
1 484 . 11 1 1 A 47 47 GLU H H 47 8.052 8.311 -0.259 1
1 485 . 11 1 1 A 47 47 GLU CA C 47 57.419 54.666 2.753 1
1 486 . 11 1 1 A 47 47 GLU HA H 47 4.231 5.000 -0.769 1
1 487 . 11 1 1 A 47 47 GLU CB C 47 30.281 32.206 -1.925 1
1 491 . 11 1 1 A 47 47 GLU C C 47 175.887 175.776 0.111 1
1 494 . 11 1 1 A 48 48 ASP N N 48 120.269 120.395 -0.126 1
1 495 . 11 1 1 A 48 48 ASP H H 48 8.536 9.257 -0.721 1
1 496 . 11 1 1 A 48 48 ASP CA C 48 54.396 55.057 -0.661 1
1 497 . 11 1 1 A 48 48 ASP HA H 48 4.638 4.379 0.259 1
1 498 . 11 1 1 A 48 48 ASP CB C 48 40.979 39.989 0.990 1
1 500 . 11 1 1 A 48 48 ASP C C 48 175.709 176.713 -1.004 1
1 502 . 11 1 1 A 49 49 ALA N N 49 122.506 121.140 1.366 1
1 503 . 11 1 1 A 49 49 ALA H H 49 8.109 8.161 -0.052 1
1 504 . 11 1 1 A 49 49 ALA CA C 49 52.774 53.569 -0.795 1
1 505 . 11 1 1 A 49 49 ALA HA H 49 4.195 4.587 -0.392 1
1 506 . 11 1 1 A 49 49 ALA CB C 49 19.343 19.467 -0.124 1
1 510 . 11 1 1 A 49 49 ALA C C 49 178.316 178.286 0.030 1
1 511 . 11 1 1 A 50 50 GLY N N 50 107.563 105.463 2.100 1
1 512 . 11 1 1 A 50 50 GLY H H 50 8.269 7.952 0.317 1
1 513 . 11 1 1 A 50 50 GLY CA C 50 45.288 45.153 0.135 1
1 514 . 11 1 1 A 50 50 GLY HA3 H 50 3.993 4.052 -0.059 1
1 515 . 11 1 1 A 50 50 GLY C C 50 174.421 174.714 -0.293 1
1 516 . 11 1 1 A 50 50 GLY HA2 H 50 3.993 4.036 -0.043 1
1 517 . 11 1 1 A 51 51 GLU N N 51 121.358 123.088 -1.730 1
1 518 . 11 1 1 A 51 51 GLU H H 51 8.519 8.874 -0.355 1
1 519 . 11 1 1 A 51 51 GLU CA C 51 56.890 55.891 0.999 1
1 520 . 11 1 1 A 51 51 GLU HA H 51 4.309 4.384 -0.075 1
1 521 . 11 1 1 A 51 51 GLU CB C 51 30.204 29.010 1.194 1
1 525 . 11 1 1 A 51 51 GLU C C 51 177.003 177.813 -0.810 1
1 528 . 11 1 1 A 52 52 GLY N N 52 109.575 110.178 -0.603 1
1 529 . 11 1 1 A 52 52 GLY H H 52 8.349 8.277 0.072 1
1 530 . 11 1 1 A 52 52 GLY CA C 52 45.571 47.258 -1.687 1
1 531 . 11 1 1 A 52 52 GLY HA3 H 52 3.895 3.847 0.048 1
1 532 . 11 1 1 A 52 52 GLY C C 52 173.666 175.578 -1.912 1
1 533 . 11 1 1 A 52 52 GLY HA2 H 52 3.810 3.802 0.008 1
1 534 . 11 1 1 A 53 53 GLY N N 53 106.657 105.158 1.499 1
1 535 . 11 1 1 A 53 53 GLY H H 53 7.893 7.613 0.280 1
1 536 . 11 1 1 A 53 53 GLY CA C 53 45.199 45.528 -0.329 1
1 537 . 11 1 1 A 53 53 GLY HA3 H 53 3.613 4.112 -0.499 1
1 538 . 11 1 1 A 53 53 GLY C C 53 173.414 174.110 -0.696 1
1 539 . 11 1 1 A 53 53 GLY HA2 H 53 4.036 4.082 -0.046 1
1 540 . 11 1 1 A 54 54 LEU N N 54 124.121 124.424 -0.303 1
1 541 . 11 1 1 A 54 54 LEU H H 54 8.241 8.368 -0.127 1
1 542 . 11 1 1 A 54 54 LEU CA C 54 54.528 54.275 0.253 1
1 543 . 11 1 1 A 54 54 LEU HA H 54 5.056 4.966 0.090 1
1 544 . 11 1 1 A 54 54 LEU CB C 54 44.325 42.929 1.396 1
1 556 . 11 1 1 A 54 54 LEU C C 54 176.080 174.416 1.664 1
1 558 . 11 1 1 A 55 55 ASP N N 55 126.024 127.702 -1.678 1
1 559 . 11 1 1 A 55 55 ASP H H 55 8.981 8.901 0.080 1
1 560 . 11 1 1 A 55 55 ASP CA C 55 54.095 52.635 1.460 1
1 561 . 11 1 1 A 55 55 ASP HA H 55 4.879 5.352 -0.473 1
1 562 . 11 1 1 A 55 55 ASP CB C 55 44.582 44.161 0.421 1
1 564 . 11 1 1 A 55 55 ASP C C 55 173.601 175.102 -1.501 1
1 566 . 11 1 1 A 56 56 LEU N N 56 125.098 123.524 1.574 1
1 567 . 11 1 1 A 56 56 LEU H H 56 8.300 9.003 -0.703 1
1 568 . 11 1 1 A 56 56 LEU CA C 56 53.221 53.519 -0.298 1
1 569 . 11 1 1 A 56 56 LEU HA H 56 5.422 5.220 0.202 1
1 570 . 11 1 1 A 56 56 LEU CB C 56 46.028 45.961 0.067 1
1 582 . 11 1 1 A 56 56 LEU C C 56 175.700 175.272 0.428 1
1 584 . 11 1 1 A 57 57 ALA N N 57 125.664 122.440 3.224 1
1 585 . 11 1 1 A 57 57 ALA H H 57 8.840 8.579 0.261 1
1 586 . 11 1 1 A 57 57 ALA CA C 57 51.851 51.197 0.654 1
1 587 . 11 1 1 A 57 57 ALA HA H 57 4.600 5.048 -0.448 1
1 588 . 11 1 1 A 57 57 ALA CB C 57 22.862 23.677 -0.815 1
1 592 . 11 1 1 A 57 57 ALA C C 57 174.504 175.120 -0.616 1
1 593 . 11 1 1 A 58 58 ILE N N 58 119.429 120.185 -0.756 1
1 594 . 11 1 1 A 58 58 ILE H H 58 8.617 8.633 -0.016 1
1 595 . 11 1 1 A 58 58 ILE CA C 58 60.143 60.156 -0.013 1
1 596 . 11 1 1 A 58 58 ILE HA H 58 5.272 4.842 0.430 1
1 597 . 11 1 1 A 58 58 ILE CB C 58 41.068 42.376 -1.308 1
1 609 . 11 1 1 A 58 58 ILE C C 58 175.328 174.620 0.708 1
1 611 . 11 1 1 A 59 59 GLU N N 59 128.665 123.489 5.176 1
1 612 . 11 1 1 A 59 59 GLU H H 59 9.315 8.612 0.703 1
1 613 . 11 1 1 A 59 59 GLU CA C 59 54.166 54.761 -0.595 1
1 614 . 11 1 1 A 59 59 GLU HA H 59 4.920 5.214 -0.294 1
1 615 . 11 1 1 A 59 59 GLU CB C 59 32.698 33.850 -1.152 1
1 619 . 11 1 1 A 59 59 GLU C C 59 175.108 175.920 -0.812 1
1 622 . 11 1 1 A 60 60 GLY N N 60 110.929 108.937 1.992 1
1 623 . 11 1 1 A 60 60 GLY H H 60 8.427 8.425 0.002 1
1 624 . 11 1 1 A 60 60 GLY CA C 60 45.608 45.136 0.472 1
1 625 . 11 1 1 A 60 60 GLY HA3 H 60 3.927 4.022 -0.095 1
1 626 . 11 1 1 A 60 60 GLY C C 60 171.379 174.323 -2.944 1
1 627 . 11 1 1 A 60 60 GLY HA2 H 60 3.531 3.729 -0.198 1
1 628 . 11 1 1 A 61 61 PRO CA C 61 64.103 64.105 -0.002 1
1 629 . 11 1 1 A 61 61 PRO HA H 61 4.270 4.367 -0.097 1
1 630 . 11 1 1 A 61 61 PRO CB C 61 32.206 32.011 0.195 1
1 636 . 11 1 1 A 61 61 PRO C C 61 176.075 176.313 -0.238 1
1 640 . 11 1 1 A 62 62 SER N N 62 108.474 114.533 -6.059 1
1 641 . 11 1 1 A 62 62 SER H H 62 7.099 7.662 -0.563 1
1 642 . 11 1 1 A 62 62 SER CA C 62 56.398 57.883 -1.485 1
1 643 . 11 1 1 A 62 62 SER HA H 62 4.655 5.073 -0.418 1
1 644 . 11 1 1 A 62 62 SER CB C 62 67.457 67.213 0.244 1
1 646 . 11 1 1 A 62 62 SER C C 62 172.805 172.968 -0.163 1
1 648 . 11 1 1 A 63 63 LYS N N 63 122.679 126.139 -3.460 1
1 649 . 11 1 1 A 63 63 LYS H H 63 8.653 8.457 0.196 1
1 650 . 11 1 1 A 63 63 LYS CA C 63 55.822 57.115 -1.293 1
1 651 . 11 1 1 A 63 63 LYS HA H 63 4.449 4.389 0.060 1
1 652 . 11 1 1 A 63 63 LYS CB C 63 31.384 32.952 -1.568 1
1 660 . 11 1 1 A 63 63 LYS C C 63 175.601 175.346 0.255 1
1 665 . 11 1 1 A 64 64 ALA N N 64 130.710 128.968 1.742 1
1 666 . 11 1 1 A 64 64 ALA H H 64 8.690 8.752 -0.062 1
1 667 . 11 1 1 A 64 64 ALA CA C 64 51.425 50.259 1.166 1
1 668 . 11 1 1 A 64 64 ALA HA H 64 4.578 5.174 -0.596 1
1 669 . 11 1 1 A 64 64 ALA CB C 64 19.803 21.595 -1.792 1
1 673 . 11 1 1 A 64 64 ALA C C 64 176.395 176.815 -0.420 1
1 674 . 11 1 1 A 65 65 GLU N N 65 123.534 123.086 0.448 1
1 675 . 11 1 1 A 65 65 GLU H H 65 8.397 8.623 -0.226 1
1 676 . 11 1 1 A 65 65 GLU CA C 65 56.854 56.499 0.355 1
1 677 . 11 1 1 A 65 65 GLU HA H 65 4.278 4.302 -0.024 1
1 678 . 11 1 1 A 65 65 GLU CB C 65 30.346 30.183 0.163 1
1 682 . 11 1 1 A 65 65 GLU C C 65 176.381 176.401 -0.020 1
1 685 . 11 1 1 A 66 66 ILE N N 66 124.380 122.360 2.020 1
1 686 . 11 1 1 A 66 66 ILE H H 66 8.541 8.572 -0.031 1
1 687 . 11 1 1 A 66 66 ILE CA C 66 60.568 60.482 0.086 1
1 688 . 11 1 1 A 66 66 ILE HA H 66 4.865 4.825 0.040 1
1 689 . 11 1 1 A 66 66 ILE CB C 66 41.804 41.160 0.644 1
1 701 . 11 1 1 A 66 66 ILE C C 66 175.421 174.521 0.900 1
1 703 . 11 1 1 A 67 67 SER N N 67 122.057 122.812 -0.755 1
1 704 . 11 1 1 A 67 67 SER H H 67 9.035 9.370 -0.335 1
1 705 . 11 1 1 A 67 67 SER CA C 67 56.908 56.947 -0.039 1
1 706 . 11 1 1 A 67 67 SER HA H 67 4.729 4.782 -0.053 1
1 707 . 11 1 1 A 67 67 SER CB C 67 64.980 62.437 2.543 1
1 709 . 11 1 1 A 67 67 SER C C 67 172.294 173.318 -1.024 1
1 711 . 11 1 1 A 68 68 CYS N N 68 124.699 122.489 2.210 1
1 712 . 11 1 1 A 68 68 CYS H H 68 8.732 8.103 0.629 1
1 713 . 11 1 1 A 68 68 CYS CA C 68 57.310 59.540 -2.230 1
1 714 . 11 1 1 A 68 68 CYS HA H 68 5.038 4.411 0.627 1
1 715 . 11 1 1 A 68 68 CYS CB C 68 28.380 27.979 0.401 1
1 717 . 11 1 1 A 68 68 CYS C C 68 173.135 174.763 -1.628 1
1 719 . 11 1 1 A 69 69 ILE N N 69 128.680 123.435 5.245 1
1 720 . 11 1 1 A 69 69 ILE H H 69 8.757 8.621 0.136 1
1 721 . 11 1 1 A 69 69 ILE CA C 69 59.153 60.317 -1.164 1
1 722 . 11 1 1 A 69 69 ILE HA H 69 4.350 4.584 -0.234 1
1 723 . 11 1 1 A 69 69 ILE CB C 69 40.750 41.397 -0.647 1
1 735 . 11 1 1 A 69 69 ILE C C 69 174.363 173.950 0.413 1
1 737 . 11 1 1 A 70 70 ASP N N 70 126.290 127.553 -1.263 1
1 738 . 11 1 1 A 70 70 ASP H H 70 8.596 8.944 -0.348 1
1 739 . 11 1 1 A 70 70 ASP CA C 70 53.671 54.350 -0.679 1
1 740 . 11 1 1 A 70 70 ASP HA H 70 4.892 4.742 0.150 1
1 741 . 11 1 1 A 70 70 ASP CB C 70 41.069 41.702 -0.633 1
1 743 . 11 1 1 A 70 70 ASP C C 70 176.812 175.492 1.320 1
1 745 . 11 1 1 A 71 71 ASN N N 71 125.163 122.837 2.326 1
1 746 . 11 1 1 A 71 71 ASN H H 71 8.745 8.796 -0.051 1
1 747 . 11 1 1 A 71 71 ASN CA C 71 54.626 53.310 1.316 1
1 748 . 11 1 1 A 71 71 ASN HA H 71 4.647 4.922 -0.275 1
1 749 . 11 1 1 A 71 71 ASN CB C 71 38.688 40.246 -1.558 1
1 754 . 11 1 1 A 71 71 ASN C C 71 175.657 174.964 0.693 1
1 756 . 11 1 1 A 72 72 LYS N N 72 114.425 115.684 -1.259 1
1 757 . 11 1 1 A 72 72 LYS H H 72 9.407 7.864 1.543 1
1 758 . 11 1 1 A 72 72 LYS CA C 72 57.535 57.251 0.284 1
1 759 . 11 1 1 A 72 72 LYS HA H 72 4.028 3.902 0.126 1
1 760 . 11 1 1 A 72 72 LYS CB C 72 28.393 29.484 -1.091 1
1 768 . 11 1 1 A 72 72 LYS C C 72 175.123 175.361 -0.238 1
1 773 . 11 1 1 A 73 73 ASP N N 73 117.581 117.975 -0.394 1
1 774 . 11 1 1 A 73 73 ASP H H 73 7.881 8.035 -0.154 1
1 775 . 11 1 1 A 73 73 ASP CA C 73 52.274 55.383 -3.109 1
1 776 . 11 1 1 A 73 73 ASP HA H 73 4.769 4.940 -0.171 1
1 777 . 11 1 1 A 73 73 ASP CB C 73 41.210 43.589 -2.379 1
1 779 . 11 1 1 A 73 73 ASP C C 73 177.197 177.195 0.002 1
1 781 . 11 1 1 A 74 74 GLY N N 74 109.385 105.990 3.395 1
1 782 . 11 1 1 A 74 74 GLY H H 74 8.781 7.577 1.204 1
1 783 . 11 1 1 A 74 74 GLY CA C 74 45.179 45.580 -0.401 1
1 784 . 11 1 1 A 74 74 GLY HA3 H 74 3.673 4.047 -0.374 1
1 785 . 11 1 1 A 74 74 GLY C C 74 173.671 173.682 -0.011 1
1 786 . 11 1 1 A 74 74 GLY HA2 H 74 4.469 4.043 0.426 1
1 787 . 11 1 1 A 75 75 THR N N 75 110.220 110.044 0.176 1
1 788 . 11 1 1 A 75 75 THR H H 75 8.179 7.943 0.236 1
1 789 . 11 1 1 A 75 75 THR CA C 75 59.843 60.664 -0.821 1
1 790 . 11 1 1 A 75 75 THR HA H 75 5.678 4.967 0.711 1
1 791 . 11 1 1 A 75 75 THR CB C 75 73.810 71.751 2.059 1
1 797 . 11 1 1 A 75 75 THR C C 75 173.912 172.010 1.902 1
1 798 . 11 1 1 A 76 76 CYS N N 76 117.252 120.718 -3.466 1
1 799 . 11 1 1 A 76 76 CYS H H 76 9.295 8.439 0.856 1
1 800 . 11 1 1 A 76 76 CYS CA C 76 56.716 57.072 -0.356 1
1 801 . 11 1 1 A 76 76 CYS HA H 76 5.517 5.226 0.291 1
1 802 . 11 1 1 A 76 76 CYS CB C 76 31.176 30.723 0.453 1
1 804 . 11 1 1 A 76 76 CYS C C 76 174.083 173.469 0.614 1
1 806 . 11 1 1 A 77 77 THR N N 77 121.477 118.910 2.567 1
1 807 . 11 1 1 A 77 77 THR H H 77 9.137 8.419 0.718 1
1 808 . 11 1 1 A 77 77 THR CA C 77 62.565 61.562 1.003 1
1 809 . 11 1 1 A 77 77 THR HA H 77 4.592 4.905 -0.313 1
1 810 . 11 1 1 A 77 77 THR CB C 77 70.447 70.386 0.061 1
1 816 . 11 1 1 A 77 77 THR C C 77 173.469 173.428 0.041 1
1 817 . 11 1 1 A 78 78 VAL N N 78 131.586 127.227 4.359 1
1 818 . 11 1 1 A 78 78 VAL H H 78 9.099 8.166 0.933 1
1 819 . 11 1 1 A 78 78 VAL CA C 78 60.604 60.517 0.087 1
1 820 . 11 1 1 A 78 78 VAL HA H 78 4.672 4.647 0.025 1
1 821 . 11 1 1 A 78 78 VAL CB C 78 32.061 33.035 -0.974 1
1 831 . 11 1 1 A 78 78 VAL C C 78 174.618 174.726 -0.108 1
1 832 . 11 1 1 A 79 79 THR N N 79 120.071 123.211 -3.140 1
1 833 . 11 1 1 A 79 79 THR H H 79 8.782 8.856 -0.074 1
1 834 . 11 1 1 A 79 79 THR CA C 79 59.685 62.055 -2.370 1
1 835 . 11 1 1 A 79 79 THR HA H 79 5.424 5.229 0.195 1
1 836 . 11 1 1 A 79 79 THR CB C 79 71.374 70.674 0.700 1
1 842 . 11 1 1 A 79 79 THR C C 79 173.250 173.605 -0.355 1
1 843 . 11 1 1 A 80 80 TYR N N 80 120.212 122.081 -1.869 1
1 844 . 11 1 1 A 80 80 TYR H H 80 9.132 8.769 0.363 1
1 845 . 11 1 1 A 80 80 TYR CA C 80 55.554 55.725 -0.171 1
1 846 . 11 1 1 A 80 80 TYR HA H 80 5.686 5.548 0.138 1
1 847 . 11 1 1 A 80 80 TYR CB C 80 42.143 42.150 -0.007 1
1 857 . 11 1 1 A 80 80 TYR C C 80 172.856 172.529 0.327 1
1 859 . 11 1 1 A 81 81 LEU N N 81 121.355 123.376 -2.021 1
1 860 . 11 1 1 A 81 81 LEU H H 81 7.729 9.153 -1.424 1
1 861 . 11 1 1 A 81 81 LEU CA C 81 50.912 50.909 0.003 1
1 862 . 11 1 1 A 81 81 LEU HA H 81 4.991 4.771 0.220 1
1 863 . 11 1 1 A 81 81 LEU CB C 81 43.636 45.373 -1.737 1
1 875 . 11 1 1 A 81 81 LEU C C 81 172.982 175.366 -2.384 1
1 877 . 11 1 1 A 82 82 PRO CA C 82 61.629 62.508 -0.879 1
1 878 . 11 1 1 A 82 82 PRO HA H 82 4.587 4.789 -0.202 1
1 879 . 11 1 1 A 82 82 PRO CB C 82 32.091 33.535 -1.444 1
1 885 . 11 1 1 A 82 82 PRO C C 82 177.683 176.770 0.913 1
1 889 . 11 1 1 A 83 83 THR N N 83 112.637 113.123 -0.486 1
1 890 . 11 1 1 A 83 83 THR H H 83 8.438 8.459 -0.021 1
1 891 . 11 1 1 A 83 83 THR CA C 83 62.207 62.807 -0.600 1
1 892 . 11 1 1 A 83 83 THR HA H 83 4.305 4.524 -0.219 1
1 893 . 11 1 1 A 83 83 THR CB C 83 69.155 70.636 -1.481 1
1 899 . 11 1 1 A 83 83 THR C C 83 173.582 174.307 -0.725 1
1 900 . 11 1 1 A 84 84 LEU N N 84 118.186 119.813 -1.627 1
1 901 . 11 1 1 A 84 84 LEU H H 84 6.839 7.511 -0.672 1
1 902 . 11 1 1 A 84 84 LEU CA C 84 51.513 51.572 -0.059 1
1 903 . 11 1 1 A 84 84 LEU HA H 84 4.976 4.930 0.046 1
1 904 . 11 1 1 A 84 84 LEU CB C 84 45.838 45.562 0.276 1
1 916 . 11 1 1 A 84 84 LEU C C 84 175.119 174.442 0.677 1
1 918 . 11 1 1 A 85 85 PRO CA C 85 62.660 63.113 -0.453 1
1 919 . 11 1 1 A 85 85 PRO HA H 85 4.347 4.874 -0.527 1
1 920 . 11 1 1 A 85 85 PRO CB C 85 32.801 31.586 1.215 1
1 926 . 11 1 1 A 85 85 PRO C C 85 174.117 176.190 -2.073 1
1 930 . 11 1 1 A 86 86 GLY N N 86 106.704 109.074 -2.370 1
1 931 . 11 1 1 A 86 86 GLY H H 86 9.065 8.017 1.048 1
1 932 . 11 1 1 A 86 86 GLY CA C 86 44.520 45.400 -0.880 1
1 933 . 11 1 1 A 86 86 GLY HA3 H 86 3.838 4.150 -0.312 1
1 934 . 11 1 1 A 86 86 GLY C C 86 171.468 171.416 0.052 1
1 935 . 11 1 1 A 86 86 GLY HA2 H 86 4.408 4.060 0.348 1
1 936 . 11 1 1 A 87 87 ASP N N 87 120.573 120.381 0.192 1
1 937 . 11 1 1 A 87 87 ASP H H 87 8.275 8.508 -0.233 1
1 938 . 11 1 1 A 87 87 ASP CA C 87 53.500 54.526 -1.026 1
1 939 . 11 1 1 A 87 87 ASP HA H 87 5.498 4.801 0.697 1
1 940 . 11 1 1 A 87 87 ASP CB C 87 40.877 41.059 -0.182 1
1 942 . 11 1 1 A 87 87 ASP C C 87 176.069 175.077 0.992 1
1 944 . 11 1 1 A 88 88 TYR N N 88 124.115 124.776 -0.661 1
1 945 . 11 1 1 A 88 88 TYR H H 88 9.510 8.575 0.935 1
1 946 . 11 1 1 A 88 88 TYR CA C 88 56.667 57.559 -0.892 1
1 947 . 11 1 1 A 88 88 TYR HA H 88 4.983 5.214 -0.231 1
1 948 . 11 1 1 A 88 88 TYR CB C 88 39.633 40.250 -0.617 1
1 958 . 11 1 1 A 88 88 TYR C C 88 174.533 175.287 -0.754 1
1 960 . 11 1 1 A 89 89 SER N N 89 118.331 120.733 -2.402 1
1 961 . 11 1 1 A 89 89 SER H H 89 9.200 8.962 0.238 1
1 962 . 11 1 1 A 89 89 SER CA C 89 56.737 58.145 -1.408 1
1 963 . 11 1 1 A 89 89 SER HA H 89 5.346 4.819 0.527 1
1 964 . 11 1 1 A 89 89 SER CB C 89 64.421 62.971 1.450 1
1 966 . 11 1 1 A 89 89 SER C C 89 173.462 173.587 -0.125 1
1 968 . 11 1 1 A 90 90 ILE N N 90 127.805 127.018 0.787 1
1 969 . 11 1 1 A 90 90 ILE H H 90 9.536 8.326 1.210 1
1 970 . 11 1 1 A 90 90 ILE CA C 90 61.209 61.557 -0.348 1
1 971 . 11 1 1 A 90 90 ILE HA H 90 4.505 4.394 0.111 1
1 972 . 11 1 1 A 90 90 ILE CB C 90 39.225 37.827 1.398 1
1 984 . 11 1 1 A 90 90 ILE C C 90 174.259 175.445 -1.186 1
1 986 . 11 1 1 A 91 91 LEU N N 91 129.968 127.590 2.378 1
1 987 . 11 1 1 A 91 91 LEU H H 91 9.354 9.089 0.265 1
1 988 . 11 1 1 A 91 91 LEU CA C 91 55.510 53.667 1.843 1
1 989 . 11 1 1 A 91 91 LEU HA H 91 4.774 5.199 -0.425 1
1 990 . 11 1 1 A 91 91 LEU CB C 91 42.674 43.792 -1.118 1
1 1002 . 11 1 1 A 91 91 LEU C C 91 175.517 175.319 0.198 1
1 1004 . 11 1 1 A 92 92 VAL N N 92 124.859 126.482 -1.623 1
1 1005 . 11 1 1 A 92 92 VAL H H 92 9.431 9.068 0.363 1
1 1006 . 11 1 1 A 92 92 VAL CA C 92 61.488 60.863 0.625 1
1 1007 . 11 1 1 A 92 92 VAL HA H 92 4.626 4.867 -0.241 1
1 1008 . 11 1 1 A 92 92 VAL CB C 92 33.437 34.215 -0.778 1
1 1018 . 11 1 1 A 92 92 VAL C C 92 173.589 174.894 -1.305 1
1 1019 . 11 1 1 A 93 93 LYS N N 93 123.909 126.024 -2.115 1
1 1020 . 11 1 1 A 93 93 LYS H H 93 8.660 8.917 -0.257 1
1 1021 . 11 1 1 A 93 93 LYS CA C 93 53.953 54.427 -0.474 1
1 1022 . 11 1 1 A 93 93 LYS HA H 93 5.017 4.939 0.078 1
1 1023 . 11 1 1 A 93 93 LYS CB C 93 36.475 36.032 0.443 1
1 1031 . 11 1 1 A 93 93 LYS C C 93 174.746 174.318 0.428 1
1 1036 . 11 1 1 A 94 94 TYR N N 94 120.499 124.372 -3.873 1
1 1037 . 11 1 1 A 94 94 TYR H H 94 8.821 9.152 -0.331 1
1 1038 . 11 1 1 A 94 94 TYR CA C 94 56.438 57.612 -1.174 1
1 1039 . 11 1 1 A 94 94 TYR HA H 94 5.161 4.885 0.276 1
1 1040 . 11 1 1 A 94 94 TYR CB C 94 41.931 41.375 0.556 1
1 1050 . 11 1 1 A 94 94 TYR C C 94 176.635 175.072 1.563 1
1 1052 . 11 1 1 A 95 95 ASN N N 95 128.155 125.857 2.298 1
1 1053 . 11 1 1 A 95 95 ASN H H 95 8.872 9.118 -0.246 1
1 1054 . 11 1 1 A 95 95 ASN CA C 95 54.360 53.955 0.405 1
1 1055 . 11 1 1 A 95 95 ASN HA H 95 4.215 4.253 -0.038 1
1 1056 . 11 1 1 A 95 95 ASN CB C 95 36.735 36.854 -0.119 1
1 1061 . 11 1 1 A 95 95 ASN C C 95 174.592 173.847 0.745 1
1 1063 . 11 1 1 A 96 96 ASP N N 96 110.440 110.404 0.036 1
1 1064 . 11 1 1 A 96 96 ASP H H 96 9.304 8.476 0.828 1
1 1065 . 11 1 1 A 96 96 ASP CA C 96 55.920 55.623 0.297 1
1 1066 . 11 1 1 A 96 96 ASP HA H 96 4.030 4.202 -0.172 1
1 1067 . 11 1 1 A 96 96 ASP CB C 96 40.704 39.249 1.455 1
1 1069 . 11 1 1 A 96 96 ASP C C 96 174.657 174.531 0.126 1
1 1071 . 11 1 1 A 97 97 LYS N N 97 118.806 117.576 1.230 1
1 1072 . 11 1 1 A 97 97 LYS H H 97 7.482 7.564 -0.082 1
1 1073 . 11 1 1 A 97 97 LYS CA C 97 54.378 54.686 -0.308 1
1 1074 . 11 1 1 A 97 97 LYS HA H 97 4.715 4.738 -0.023 1
1 1075 . 11 1 1 A 97 97 LYS CB C 97 35.127 35.049 0.078 1
1 1083 . 11 1 1 A 97 97 LYS C C 97 176.499 175.809 0.690 1
1 1088 . 11 1 1 A 98 98 HIS N N 98 124.063 123.199 0.864 1
1 1089 . 11 1 1 A 98 98 HIS H H 98 8.795 8.647 0.148 1
1 1090 . 11 1 1 A 98 98 HIS CA C 98 58.870 57.048 1.822 1
1 1091 . 11 1 1 A 98 98 HIS HA H 98 4.496 4.802 -0.306 1
1 1092 . 11 1 1 A 98 98 HIS CB C 98 32.178 30.440 1.738 1
1 1098 . 11 1 1 A 98 98 HIS C C 98 177.720 175.702 2.018 1
1 1100 . 11 1 1 A 99 99 ILE N N 99 120.049 118.696 1.353 1
1 1101 . 11 1 1 A 99 99 ILE H H 99 8.380 8.026 0.354 1
1 1102 . 11 1 1 A 99 99 ILE CA C 99 60.674 59.077 1.597 1
1 1103 . 11 1 1 A 99 99 ILE HA H 99 4.696 4.697 -0.001 1
1 1104 . 11 1 1 A 99 99 ILE CB C 99 35.539 38.513 -2.974 1
1 1116 . 11 1 1 A 99 99 ILE C C 99 173.419 174.391 -0.972 1
1 1118 . 11 1 1 A 100 100 PRO CA C 100 65.343 63.599 1.744 1
1 1119 . 11 1 1 A 100 100 PRO HA H 100 4.255 4.282 -0.027 1
1 1120 . 11 1 1 A 100 100 PRO CB C 100 31.128 31.253 -0.125 1
1 1126 . 11 1 1 A 100 100 PRO C C 100 176.734 177.409 -0.675 1
1 1130 . 11 1 1 A 101 101 GLY N N 101 113.906 113.240 0.666 1
1 1131 . 11 1 1 A 101 101 GLY H H 101 8.167 8.760 -0.593 1
1 1132 . 11 1 1 A 101 101 GLY CA C 101 44.668 44.965 -0.297 1
1 1133 . 11 1 1 A 101 101 GLY HA3 H 101 3.120 3.889 -0.769 1
1 1134 . 11 1 1 A 101 101 GLY C C 101 171.985 174.442 -2.457 1
1 1135 . 11 1 1 A 101 101 GLY HA2 H 101 4.140 3.851 0.289 1
1 1136 . 11 1 1 A 102 102 SER N N 102 112.418 116.621 -4.203 1
1 1137 . 11 1 1 A 102 102 SER H H 102 7.641 7.263 0.378 1
1 1138 . 11 1 1 A 102 102 SER CA C 102 54.770 56.392 -1.622 1
1 1139 . 11 1 1 A 102 102 SER HA H 102 4.107 4.014 0.093 1
1 1140 . 11 1 1 A 102 102 SER CB C 102 62.454 62.961 -0.507 1
1 1142 . 11 1 1 A 102 102 SER C C 102 174.682 172.387 2.295 1
1 1144 . 11 1 1 A 103 103 PRO CA C 103 62.301 62.616 -0.315 1
1 1145 . 11 1 1 A 103 103 PRO HA H 103 5.363 4.659 0.704 1
1 1146 . 11 1 1 A 103 103 PRO CB C 103 33.964 32.644 1.320 1
1 1152 . 11 1 1 A 103 103 PRO C C 103 176.438 176.807 -0.369 1
1 1156 . 11 1 1 A 104 104 PHE N N 104 126.067 121.115 4.952 1
1 1157 . 11 1 1 A 104 104 PHE H H 104 9.449 8.214 1.235 1
1 1158 . 11 1 1 A 104 104 PHE CA C 104 57.102 57.947 -0.845 1
1 1159 . 11 1 1 A 104 104 PHE HA H 104 4.621 5.063 -0.442 1
1 1160 . 11 1 1 A 104 104 PHE CB C 104 40.656 40.008 0.648 1
1 1170 . 11 1 1 A 104 104 PHE C C 104 176.313 176.267 0.046 1
1 1172 . 11 1 1 A 105 105 THR N N 105 118.402 116.113 2.289 1
1 1173 . 11 1 1 A 105 105 THR H H 105 8.842 8.809 0.033 1
1 1174 . 11 1 1 A 105 105 THR CA C 105 62.018 61.931 0.087 1
1 1175 . 11 1 1 A 105 105 THR HA H 105 5.153 4.829 0.324 1
1 1176 . 11 1 1 A 105 105 THR CB C 105 70.095 69.721 0.374 1
1 1182 . 11 1 1 A 105 105 THR C C 105 172.525 173.632 -1.107 1
1 1183 . 11 1 1 A 106 106 ALA N N 106 131.132 130.524 0.608 1
1 1184 . 11 1 1 A 106 106 ALA H H 106 9.192 8.527 0.665 1
1 1185 . 11 1 1 A 106 106 ALA CA C 106 50.187 50.533 -0.346 1
1 1186 . 11 1 1 A 106 106 ALA HA H 106 4.435 5.426 -0.991 1
1 1187 . 11 1 1 A 106 106 ALA CB C 106 21.021 20.611 0.410 1
1 1191 . 11 1 1 A 106 106 ALA C C 106 176.136 176.806 -0.670 1
1 1192 . 11 1 1 A 107 107 LYS N N 107 122.751 123.538 -0.787 1
1 1193 . 11 1 1 A 107 107 LYS H H 107 7.746 8.834 -1.088 1
1 1194 . 11 1 1 A 107 107 LYS CA C 107 55.652 55.281 0.371 1
1 1195 . 11 1 1 A 107 107 LYS HA H 107 4.797 4.696 0.101 1
1 1196 . 11 1 1 A 107 107 LYS CB C 107 32.606 32.500 0.106 1
1 1204 . 11 1 1 A 107 107 LYS C C 107 174.648 174.818 -0.170 1
1 1209 . 11 1 1 A 108 108 ILE N N 108 127.629 127.204 0.425 1
1 1210 . 11 1 1 A 108 108 ILE H H 108 9.024 8.879 0.145 1
1 1211 . 11 1 1 A 108 108 ILE CA C 108 56.801 60.787 -3.986 1
1 1212 . 11 1 1 A 108 108 ILE HA H 108 4.688 5.133 -0.445 1
1 1213 . 11 1 1 A 108 108 ILE CB C 108 35.101 39.627 -4.526 1
1 1225 . 11 1 1 A 108 108 ILE C C 108 178.159 175.213 2.946 1
1 1227 . 11 1 1 A 109 109 THR N N 109 121.563 120.231 1.332 1
1 1228 . 11 1 1 A 109 109 THR H H 109 8.861 8.415 0.446 1
1 1229 . 11 1 1 A 109 109 THR CA C 109 60.745 59.726 1.019 1
1 1230 . 11 1 1 A 109 109 THR HA H 109 4.778 4.921 -0.143 1
1 1231 . 11 1 1 A 109 109 THR CB C 109 71.067 70.949 0.118 1
1 1237 . 11 1 1 A 109 109 THR C C 109 173.421 171.557 1.864 1
1 1238 . 11 1 1 A 110 110 ASP N N 110 119.526 123.713 -4.187 1
1 1239 . 11 1 1 A 110 110 ASP H H 110 8.631 8.660 -0.029 1
1 1240 . 11 1 1 A 110 110 ASP CA C 110 53.971 52.585 1.386 1
1 1241 . 11 1 1 A 110 110 ASP HA H 110 4.729 5.155 -0.426 1
1 1242 . 11 1 1 A 110 110 ASP CB C 110 42.087 43.292 -1.205 1
1 1244 . 11 1 1 A 110 110 ASP C C 110 176.124 176.010 0.114 1
1 1246 . 11 1 1 A 111 111 ASP N N 111 122.287 127.426 -5.139 1
1 1247 . 11 1 1 A 111 111 ASP H H 111 8.638 9.037 -0.399 1
1 1248 . 11 1 1 A 111 111 ASP CA C 111 54.042 56.315 -2.273 1
1 1249 . 11 1 1 A 111 111 ASP HA H 111 4.644 4.374 0.270 1
1 1250 . 11 1 1 A 111 111 ASP CB C 111 41.218 41.120 0.098 1
1 1252 . 11 1 1 A 111 111 ASP C C 111 176.668 177.657 -0.989 1
1 1254 . 11 1 1 A 112 112 SER N N 112 117.157 114.123 3.034 1
1 1255 . 11 1 1 A 112 112 SER H H 112 8.416 7.931 0.485 1
1 1256 . 11 1 1 A 112 112 SER CA C 112 59.277 61.586 -2.309 1
1 1257 . 11 1 1 A 112 112 SER HA H 112 4.348 4.025 0.323 1
1 1258 . 11 1 1 A 112 112 SER CB C 112 63.943 62.954 0.989 1
1 1260 . 11 1 1 A 112 112 SER C C 112 174.721 177.168 -2.447 1
1 1262 . 11 1 1 A 113 113 ARG N N 113 122.178 120.947 1.231 1
1 1263 . 11 1 1 A 113 113 ARG H H 113 8.238 7.721 0.517 1
1 1264 . 11 1 1 A 113 113 ARG CA C 113 56.195 59.199 -3.004 1
1 1265 . 11 1 1 A 113 113 ARG HA H 113 4.347 3.982 0.365 1
1 1266 . 11 1 1 A 113 113 ARG CB C 113 30.470 29.584 0.886 1
1 1271 . 11 1 1 A 113 113 ARG C C 113 176.207 176.977 -0.770 1
1 1275 . 11 1 1 A 114 114 ARG N N 114 122.696 118.377 4.319 1
1 1276 . 11 1 1 A 114 114 ARG H H 114 8.338 7.596 0.742 1
1 1277 . 11 1 1 A 114 114 ARG CA C 114 56.164 55.778 0.386 1
1 1278 . 11 1 1 A 114 114 ARG HA H 114 4.390 4.414 -0.024 1
1 1279 . 11 1 1 A 114 114 ARG CB C 114 30.679 31.158 -0.479 1
1 1285 . 11 1 1 A 114 114 ARG C C 114 175.468 176.423 -0.955 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 44.699 45.502 -0.803 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.124 4.126 -0.002 1
1 3 . 12 1 1 A 7 7 GLY HA2 H 7 4.124 4.126 -0.002 1
1 4 . 12 1 1 A 8 8 PRO CA C 8 63.321 62.769 0.552 1
1 5 . 12 1 1 A 8 8 PRO HA H 8 4.418 4.669 -0.251 1
1 6 . 12 1 1 A 8 8 PRO CB C 8 32.104 33.205 -1.101 1
1 12 . 12 1 1 A 8 8 PRO C C 8 177.159 175.209 1.950 1
1 16 . 12 1 1 A 9 9 GLU N N 9 120.837 121.901 -1.064 1
1 17 . 12 1 1 A 9 9 GLU H H 9 8.612 8.677 -0.065 1
1 18 . 12 1 1 A 9 9 GLU CA C 9 56.642 55.304 1.338 1
1 19 . 12 1 1 A 9 9 GLU HA H 9 4.282 4.687 -0.405 1
1 20 . 12 1 1 A 9 9 GLU CB C 9 30.181 31.689 -1.508 1
1 24 . 12 1 1 A 9 9 GLU C C 9 176.387 175.125 1.262 1
1 27 . 12 1 1 A 10 10 SER N N 10 117.776 121.494 -3.718 1
1 28 . 12 1 1 A 10 10 SER H H 10 8.264 8.885 -0.621 1
1 29 . 12 1 1 A 10 10 SER CA C 10 56.382 55.027 1.355 1
1 30 . 12 1 1 A 10 10 SER HA H 10 4.763 5.153 -0.390 1
1 31 . 12 1 1 A 10 10 SER CB C 10 63.575 63.455 0.120 1
1 33 . 12 1 1 A 10 10 SER C C 10 172.958 173.037 -0.079 1
1 35 . 12 1 1 A 11 11 PRO CA C 11 63.404 62.352 1.052 1
1 36 . 12 1 1 A 11 11 PRO HA H 11 4.432 4.648 -0.216 1
1 37 . 12 1 1 A 11 11 PRO CB C 11 31.958 33.022 -1.064 1
1 43 . 12 1 1 A 11 11 PRO C C 11 176.922 175.258 1.664 1
1 47 . 12 1 1 A 12 12 LEU N N 12 121.245 121.096 0.149 1
1 48 . 12 1 1 A 12 12 LEU H H 12 8.172 8.427 -0.255 1
1 49 . 12 1 1 A 12 12 LEU CA C 12 55.521 53.049 2.472 1
1 50 . 12 1 1 A 12 12 LEU HA H 12 4.236 5.018 -0.782 1
1 51 . 12 1 1 A 12 12 LEU CB C 12 42.138 44.858 -2.720 1
1 63 . 12 1 1 A 12 12 LEU C C 12 177.236 175.860 1.376 1
1 65 . 12 1 1 A 13 13 GLN N N 13 120.086 122.019 -1.933 1
1 66 . 12 1 1 A 13 13 GLN H H 13 8.098 8.763 -0.665 1
1 67 . 12 1 1 A 13 13 GLN CA C 13 55.785 54.337 1.448 1
1 68 . 12 1 1 A 13 13 GLN HA H 13 4.220 4.420 -0.200 1
1 69 . 12 1 1 A 13 13 GLN CB C 13 29.628 29.541 0.087 1
1 76 . 12 1 1 A 13 13 GLN C C 13 175.243 173.741 1.502 1
1 79 . 12 1 1 A 14 14 PHE N N 14 120.461 122.137 -1.676 1
1 80 . 12 1 1 A 14 14 PHE H H 14 8.056 7.705 0.351 1
1 81 . 12 1 1 A 14 14 PHE CA C 14 57.739 57.852 -0.113 1
1 82 . 12 1 1 A 14 14 PHE HA H 14 4.545 4.134 0.411 1
1 83 . 12 1 1 A 14 14 PHE CB C 14 39.825 39.168 0.657 1
1 95 . 12 1 1 A 14 14 PHE C C 14 175.022 174.994 0.028 1
1 97 . 12 1 1 A 15 15 TYR N N 15 121.213 121.290 -0.077 1
1 98 . 12 1 1 A 15 15 TYR H H 15 8.004 7.943 0.061 1
1 99 . 12 1 1 A 15 15 TYR CA C 15 57.756 57.698 0.058 1
1 100 . 12 1 1 A 15 15 TYR HA H 15 4.506 4.682 -0.176 1
1 101 . 12 1 1 A 15 15 TYR CB C 15 39.012 40.020 -1.008 1
1 111 . 12 1 1 A 15 15 TYR C C 15 175.174 175.346 -0.172 1
1 113 . 12 1 1 A 16 16 VAL N N 16 121.693 120.837 0.856 1
1 114 . 12 1 1 A 16 16 VAL H H 16 7.900 8.492 -0.592 1
1 115 . 12 1 1 A 16 16 VAL CA C 16 62.248 63.156 -0.908 1
1 116 . 12 1 1 A 16 16 VAL HA H 16 3.932 4.012 -0.080 1
1 117 . 12 1 1 A 16 16 VAL CB C 16 33.023 31.539 1.484 1
1 127 . 12 1 1 A 16 16 VAL C C 16 175.016 175.496 -0.480 1
1 128 . 12 1 1 A 17 17 ASN N N 17 121.488 126.061 -4.573 1
1 129 . 12 1 1 A 17 17 ASN H H 17 8.198 8.556 -0.358 1
1 130 . 12 1 1 A 17 17 ASN CA C 17 52.948 52.726 0.222 1
1 131 . 12 1 1 A 17 17 ASN HA H 17 4.630 5.028 -0.398 1
1 132 . 12 1 1 A 17 17 ASN CB C 17 39.289 40.222 -0.933 1
1 137 . 12 1 1 A 17 17 ASN C C 17 174.167 174.015 0.152 1
1 139 . 12 1 1 A 18 18 TYR N N 18 122.069 118.094 3.975 1
1 140 . 12 1 1 A 18 18 TYR H H 18 8.117 8.595 -0.478 1
1 141 . 12 1 1 A 18 18 TYR CA C 18 55.970 55.804 0.166 1
1 142 . 12 1 1 A 18 18 TYR HA H 18 4.771 5.011 -0.240 1
1 143 . 12 1 1 A 18 18 TYR CB C 18 38.260 41.986 -3.726 1
1 153 . 12 1 1 A 18 18 TYR C C 18 173.978 173.381 0.597 1
1 155 . 12 1 1 A 19 19 PRO CA C 19 63.378 62.966 0.412 1
1 156 . 12 1 1 A 19 19 PRO HA H 19 4.414 4.696 -0.282 1
1 157 . 12 1 1 A 19 19 PRO CB C 19 32.018 33.039 -1.021 1
1 163 . 12 1 1 A 19 19 PRO C C 19 176.659 176.012 0.647 1
1 167 . 12 1 1 A 20 20 ASN N N 20 118.582 119.912 -1.330 1
1 168 . 12 1 1 A 20 20 ASN H H 20 8.508 8.750 -0.242 1
1 169 . 12 1 1 A 20 20 ASN CA C 20 53.334 52.222 1.112 1
1 170 . 12 1 1 A 20 20 ASN HA H 20 4.756 5.119 -0.363 1
1 171 . 12 1 1 A 20 20 ASN CB C 20 38.964 41.514 -2.550 1
1 176 . 12 1 1 A 20 20 ASN C C 20 175.301 175.596 -0.295 1
1 178 . 12 1 1 A 21 21 SER N N 21 115.989 120.062 -4.073 1
1 179 . 12 1 1 A 21 21 SER H H 21 8.360 8.830 -0.470 1
1 180 . 12 1 1 A 21 21 SER CA C 21 58.877 61.960 -3.083 1
1 181 . 12 1 1 A 21 21 SER HA H 21 4.481 4.115 0.366 1
1 182 . 12 1 1 A 21 21 SER CB C 21 63.988 63.457 0.531 1
1 184 . 12 1 1 A 21 21 SER C C 21 175.006 175.288 -0.282 1
1 186 . 12 1 1 A 22 22 GLY N N 22 110.974 107.394 3.580 1
1 187 . 12 1 1 A 22 22 GLY H H 22 8.523 8.342 0.181 1
1 188 . 12 1 1 A 22 22 GLY CA C 22 45.429 46.529 -1.100 1
1 189 . 12 1 1 A 22 22 GLY HA3 H 22 4.074 3.927 0.147 1
1 190 . 12 1 1 A 22 22 GLY C C 22 173.860 173.538 0.322 1
1 191 . 12 1 1 A 22 22 GLY HA2 H 22 4.074 3.925 0.149 1
1 192 . 12 1 1 A 23 23 SER N N 23 115.179 115.035 0.144 1
1 193 . 12 1 1 A 23 23 SER H H 23 8.190 7.578 0.612 1
1 194 . 12 1 1 A 23 23 SER CA C 23 58.233 57.390 0.843 1
1 195 . 12 1 1 A 23 23 SER HA H 23 4.511 4.795 -0.284 1
1 196 . 12 1 1 A 23 23 SER CB C 23 64.511 65.150 -0.639 1
1 198 . 12 1 1 A 23 23 SER C C 23 173.263 171.963 1.300 1
1 200 . 12 1 1 A 24 24 VAL N N 24 122.289 122.462 -0.173 1
1 201 . 12 1 1 A 24 24 VAL H H 24 7.889 8.395 -0.506 1
1 202 . 12 1 1 A 24 24 VAL CA C 24 61.754 60.099 1.655 1
1 203 . 12 1 1 A 24 24 VAL HA H 24 4.567 4.981 -0.414 1
1 204 . 12 1 1 A 24 24 VAL CB C 24 33.612 35.138 -1.526 1
1 214 . 12 1 1 A 24 24 VAL C C 24 174.799 174.575 0.224 1
1 215 . 12 1 1 A 25 25 SER N N 25 118.995 121.640 -2.645 1
1 216 . 12 1 1 A 25 25 SER H H 25 8.244 9.086 -0.842 1
1 217 . 12 1 1 A 25 25 SER CA C 25 57.102 56.392 0.710 1
1 218 . 12 1 1 A 25 25 SER HA H 25 5.039 5.465 -0.426 1
1 219 . 12 1 1 A 25 25 SER CB C 25 66.338 67.099 -0.761 1
1 221 . 12 1 1 A 25 25 SER C C 25 171.718 173.203 -1.485 1
1 223 . 12 1 1 A 26 26 ALA N N 26 121.537 124.403 -2.866 1
1 224 . 12 1 1 A 26 26 ALA H H 26 8.503 8.866 -0.363 1
1 225 . 12 1 1 A 26 26 ALA CA C 26 50.695 51.194 -0.499 1
1 226 . 12 1 1 A 26 26 ALA HA H 26 5.637 5.241 0.396 1
1 227 . 12 1 1 A 26 26 ALA CB C 26 23.364 22.581 0.783 1
1 231 . 12 1 1 A 26 26 ALA C C 26 175.355 175.467 -0.112 1
1 232 . 12 1 1 A 27 27 TYR N N 27 116.588 117.773 -1.185 1
1 233 . 12 1 1 A 27 27 TYR H H 27 8.885 8.556 0.329 1
1 234 . 12 1 1 A 27 27 TYR CA C 27 57.013 55.560 1.453 1
1 235 . 12 1 1 A 27 27 TYR HA H 27 4.742 5.332 -0.590 1
1 236 . 12 1 1 A 27 27 TYR CB C 27 40.325 41.504 -1.179 1
1 246 . 12 1 1 A 27 27 TYR C C 27 172.990 173.761 -0.771 1
1 248 . 12 1 1 A 28 28 GLY N N 28 108.423 106.901 1.522 1
1 249 . 12 1 1 A 28 28 GLY H H 28 8.475 8.417 0.058 1
1 250 . 12 1 1 A 28 28 GLY CA C 28 44.439 45.380 -0.941 1
1 251 . 12 1 1 A 28 28 GLY HA3 H 28 4.141 4.224 -0.083 1
1 252 . 12 1 1 A 28 28 GLY C C 28 173.419 174.073 -0.654 1
1 253 . 12 1 1 A 28 28 GLY HA2 H 28 5.092 4.220 0.872 1
1 254 . 12 1 1 A 29 29 PRO CA C 29 65.537 64.016 1.521 1
1 255 . 12 1 1 A 29 29 PRO HA H 29 4.298 4.183 0.115 1
1 256 . 12 1 1 A 29 29 PRO CB C 29 31.509 31.730 -0.221 1
1 262 . 12 1 1 A 29 29 PRO C C 29 178.493 177.409 1.084 1
1 266 . 12 1 1 A 30 30 GLY N N 30 102.459 106.638 -4.179 1
1 267 . 12 1 1 A 30 30 GLY H H 30 8.655 8.335 0.320 1
1 268 . 12 1 1 A 30 30 GLY CA C 30 46.245 45.771 0.474 1
1 269 . 12 1 1 A 30 30 GLY HA3 H 30 3.417 4.036 -0.619 1
1 270 . 12 1 1 A 30 30 GLY C C 30 172.945 175.035 -2.090 1
1 271 . 12 1 1 A 30 30 GLY HA2 H 30 4.316 3.927 0.389 1
1 272 . 12 1 1 A 31 31 LEU N N 31 116.436 121.390 -4.954 1
1 273 . 12 1 1 A 31 31 LEU H H 31 7.049 7.432 -0.383 1
1 274 . 12 1 1 A 31 31 LEU CA C 31 55.368 57.205 -1.837 1
1 275 . 12 1 1 A 31 31 LEU HA H 31 3.784 4.122 -0.338 1
1 276 . 12 1 1 A 31 31 LEU CB C 31 42.148 42.302 -0.154 1
1 288 . 12 1 1 A 31 31 LEU C C 31 175.321 178.741 -3.420 1
1 290 . 12 1 1 A 32 32 VAL N N 32 112.078 117.042 -4.964 1
1 291 . 12 1 1 A 32 32 VAL H H 32 7.739 7.030 0.709 1
1 292 . 12 1 1 A 32 32 VAL CA C 32 62.956 65.155 -2.199 1
1 293 . 12 1 1 A 32 32 VAL HA H 32 4.574 3.650 0.924 1
1 294 . 12 1 1 A 32 32 VAL CB C 32 35.415 31.654 3.761 1
1 304 . 12 1 1 A 32 32 VAL C C 32 176.810 175.804 1.006 1
1 305 . 12 1 1 A 33 33 TYR N N 33 121.116 115.621 5.495 1
1 306 . 12 1 1 A 33 33 TYR H H 33 8.638 7.309 1.329 1
1 307 . 12 1 1 A 33 33 TYR CA C 33 56.523 55.934 0.589 1
1 308 . 12 1 1 A 33 33 TYR HA H 33 5.639 4.999 0.640 1
1 309 . 12 1 1 A 33 33 TYR CB C 33 42.165 40.445 1.720 1
1 319 . 12 1 1 A 33 33 TYR C C 33 172.858 173.800 -0.942 1
1 321 . 12 1 1 A 34 34 GLY N N 34 107.313 106.830 0.483 1
1 322 . 12 1 1 A 34 34 GLY H H 34 7.637 8.546 -0.909 1
1 323 . 12 1 1 A 34 34 GLY CA C 34 44.721 45.763 -1.042 1
1 324 . 12 1 1 A 34 34 GLY HA3 H 34 3.793 4.467 -0.674 1
1 325 . 12 1 1 A 34 34 GLY C C 34 170.727 171.921 -1.194 1
1 326 . 12 1 1 A 34 34 GLY HA2 H 34 3.873 4.421 -0.548 1
1 327 . 12 1 1 A 35 35 VAL N N 35 120.853 120.023 0.830 1
1 328 . 12 1 1 A 35 35 VAL H H 35 8.731 8.430 0.301 1
1 329 . 12 1 1 A 35 35 VAL CA C 35 60.627 60.509 0.118 1
1 330 . 12 1 1 A 35 35 VAL HA H 35 4.589 4.849 -0.260 1
1 331 . 12 1 1 A 35 35 VAL CB C 35 35.374 35.430 -0.056 1
1 341 . 12 1 1 A 35 35 VAL C C 35 174.813 175.015 -0.202 1
1 342 . 12 1 1 A 36 36 ALA N N 36 127.708 130.139 -2.431 1
1 343 . 12 1 1 A 36 36 ALA H H 36 8.482 8.802 -0.320 1
1 344 . 12 1 1 A 36 36 ALA CA C 36 53.332 53.496 -0.164 1
1 345 . 12 1 1 A 36 36 ALA HA H 36 3.535 4.091 -0.556 1
1 346 . 12 1 1 A 36 36 ALA CB C 36 17.653 18.505 -0.852 1
1 350 . 12 1 1 A 36 36 ALA C C 36 176.968 178.269 -1.301 1
1 351 . 12 1 1 A 37 37 ASN N N 37 111.234 116.746 -5.512 1
1 352 . 12 1 1 A 37 37 ASN H H 37 9.147 9.063 0.084 1
1 353 . 12 1 1 A 37 37 ASN CA C 37 55.728 54.371 1.357 1
1 354 . 12 1 1 A 37 37 ASN HA H 37 3.962 4.334 -0.372 1
1 355 . 12 1 1 A 37 37 ASN CB C 37 37.147 37.179 -0.032 1
1 360 . 12 1 1 A 37 37 ASN C C 37 173.119 174.081 -0.962 1
1 362 . 12 1 1 A 38 38 LYS N N 38 119.100 117.389 1.711 1
1 363 . 12 1 1 A 38 38 LYS H H 38 7.972 7.226 0.746 1
1 364 . 12 1 1 A 38 38 LYS CA C 38 54.306 54.517 -0.211 1
1 365 . 12 1 1 A 38 38 LYS HA H 38 4.606 4.761 -0.155 1
1 366 . 12 1 1 A 38 38 LYS CB C 38 34.799 35.712 -0.913 1
1 374 . 12 1 1 A 38 38 LYS C C 38 175.533 176.210 -0.677 1
1 379 . 12 1 1 A 39 39 THR N N 39 114.730 115.295 -0.565 1
1 380 . 12 1 1 A 39 39 THR H H 39 8.158 8.623 -0.465 1
1 381 . 12 1 1 A 39 39 THR CA C 39 63.302 62.436 0.866 1
1 382 . 12 1 1 A 39 39 THR HA H 39 4.138 4.208 -0.070 1
1 383 . 12 1 1 A 39 39 THR CB C 39 69.652 69.697 -0.045 1
1 389 . 12 1 1 A 39 39 THR C C 39 174.281 173.922 0.359 1
1 390 . 12 1 1 A 40 40 ALA N N 40 129.891 123.273 6.618 1
1 391 . 12 1 1 A 40 40 ALA H H 40 8.750 8.567 0.183 1
1 392 . 12 1 1 A 40 40 ALA CA C 40 50.399 51.938 -1.539 1
1 393 . 12 1 1 A 40 40 ALA HA H 40 4.702 4.835 -0.133 1
1 394 . 12 1 1 A 40 40 ALA CB C 40 20.495 20.373 0.122 1
1 398 . 12 1 1 A 40 40 ALA C C 40 176.039 175.068 0.971 1
1 399 . 12 1 1 A 41 41 THR N N 41 112.902 117.013 -4.111 1
1 400 . 12 1 1 A 41 41 THR H H 41 8.536 8.856 -0.320 1
1 401 . 12 1 1 A 41 41 THR CA C 41 59.688 59.753 -0.065 1
1 402 . 12 1 1 A 41 41 THR HA H 41 5.779 5.199 0.580 1
1 403 . 12 1 1 A 41 41 THR CB C 41 72.348 71.909 0.439 1
1 409 . 12 1 1 A 41 41 THR C C 41 173.286 172.823 0.463 1
1 410 . 12 1 1 A 42 42 PHE N N 42 119.525 119.206 0.319 1
1 411 . 12 1 1 A 42 42 PHE H H 42 8.825 8.200 0.625 1
1 412 . 12 1 1 A 42 42 PHE CA C 42 57.031 55.498 1.533 1
1 413 . 12 1 1 A 42 42 PHE HA H 42 5.013 5.394 -0.381 1
1 414 . 12 1 1 A 42 42 PHE CB C 42 40.155 42.106 -1.951 1
1 426 . 12 1 1 A 42 42 PHE C C 42 171.282 172.567 -1.285 1
1 428 . 12 1 1 A 43 43 THR N N 43 117.427 114.492 2.935 1
1 429 . 12 1 1 A 43 43 THR H H 43 9.210 8.264 0.946 1
1 430 . 12 1 1 A 43 43 THR CA C 43 62.250 60.986 1.264 1
1 431 . 12 1 1 A 43 43 THR HA H 43 4.987 4.981 0.006 1
1 432 . 12 1 1 A 43 43 THR CB C 43 71.510 70.932 0.578 1
1 438 . 12 1 1 A 43 43 THR C C 43 173.061 173.454 -0.393 1
1 439 . 12 1 1 A 44 44 ILE N N 44 123.638 124.959 -1.321 1
1 440 . 12 1 1 A 44 44 ILE H H 44 8.859 8.572 0.287 1
1 441 . 12 1 1 A 44 44 ILE CA C 44 59.843 59.606 0.237 1
1 442 . 12 1 1 A 44 44 ILE HA H 44 4.824 4.810 0.014 1
1 443 . 12 1 1 A 44 44 ILE CB C 44 40.866 42.342 -1.476 1
1 455 . 12 1 1 A 44 44 ILE C C 44 174.707 174.550 0.157 1
1 457 . 12 1 1 A 45 45 VAL N N 45 128.904 127.371 1.533 1
1 458 . 12 1 1 A 45 45 VAL H H 45 9.299 8.525 0.774 1
1 459 . 12 1 1 A 45 45 VAL CA C 45 62.119 61.094 1.025 1
1 460 . 12 1 1 A 45 45 VAL HA H 45 4.492 4.693 -0.201 1
1 461 . 12 1 1 A 45 45 VAL CB C 45 32.683 32.879 -0.196 1
1 471 . 12 1 1 A 45 45 VAL C C 45 175.606 174.949 0.657 1
1 472 . 12 1 1 A 46 46 THR N N 46 117.412 122.794 -5.382 1
1 473 . 12 1 1 A 46 46 THR H H 46 8.434 9.174 -0.740 1
1 474 . 12 1 1 A 46 46 THR CA C 46 60.650 61.562 -0.912 1
1 475 . 12 1 1 A 46 46 THR HA H 46 4.505 4.801 -0.296 1
1 476 . 12 1 1 A 46 46 THR CB C 46 69.432 70.583 -1.151 1
1 482 . 12 1 1 A 46 46 THR C C 46 174.882 173.849 1.033 1
1 483 . 12 1 1 A 47 47 GLU N N 47 122.657 126.279 -3.622 1
1 484 . 12 1 1 A 47 47 GLU H H 47 8.052 8.979 -0.927 1
1 485 . 12 1 1 A 47 47 GLU CA C 47 57.419 56.779 0.640 1
1 486 . 12 1 1 A 47 47 GLU HA H 47 4.231 4.695 -0.464 1
1 487 . 12 1 1 A 47 47 GLU CB C 47 30.281 32.048 -1.767 1
1 491 . 12 1 1 A 47 47 GLU C C 47 175.887 177.245 -1.358 1
1 494 . 12 1 1 A 48 48 ASP N N 48 120.269 116.287 3.982 1
1 495 . 12 1 1 A 48 48 ASP H H 48 8.536 8.134 0.402 1
1 496 . 12 1 1 A 48 48 ASP CA C 48 54.396 52.880 1.516 1
1 497 . 12 1 1 A 48 48 ASP HA H 48 4.638 4.901 -0.263 1
1 498 . 12 1 1 A 48 48 ASP CB C 48 40.979 41.450 -0.471 1
1 500 . 12 1 1 A 48 48 ASP C C 48 175.709 177.326 -1.617 1
1 502 . 12 1 1 A 49 49 ALA N N 49 122.506 123.226 -0.720 1
1 503 . 12 1 1 A 49 49 ALA H H 49 8.109 7.962 0.147 1
1 504 . 12 1 1 A 49 49 ALA CA C 49 52.774 54.461 -1.687 1
1 505 . 12 1 1 A 49 49 ALA HA H 49 4.195 3.683 0.512 1
1 506 . 12 1 1 A 49 49 ALA CB C 49 19.343 18.924 0.419 1
1 510 . 12 1 1 A 49 49 ALA C C 49 178.316 177.977 0.339 1
1 511 . 12 1 1 A 50 50 GLY N N 50 107.563 104.397 3.166 1
1 512 . 12 1 1 A 50 50 GLY H H 50 8.269 7.693 0.576 1
1 513 . 12 1 1 A 50 50 GLY CA C 50 45.288 44.793 0.495 1
1 514 . 12 1 1 A 50 50 GLY HA3 H 50 3.993 4.073 -0.080 1
1 515 . 12 1 1 A 50 50 GLY C C 50 174.421 173.236 1.185 1
1 516 . 12 1 1 A 50 50 GLY HA2 H 50 3.993 4.064 -0.071 1
1 517 . 12 1 1 A 51 51 GLU N N 51 121.358 121.305 0.053 1
1 518 . 12 1 1 A 51 51 GLU H H 51 8.519 8.660 -0.141 1
1 519 . 12 1 1 A 51 51 GLU CA C 51 56.890 55.436 1.454 1
1 520 . 12 1 1 A 51 51 GLU HA H 51 4.309 4.827 -0.518 1
1 521 . 12 1 1 A 51 51 GLU CB C 51 30.204 30.282 -0.078 1
1 525 . 12 1 1 A 51 51 GLU C C 51 177.003 175.942 1.061 1
1 528 . 12 1 1 A 52 52 GLY N N 52 109.575 113.947 -4.372 1
1 529 . 12 1 1 A 52 52 GLY H H 52 8.349 8.667 -0.318 1
1 530 . 12 1 1 A 52 52 GLY CA C 52 45.571 45.879 -0.308 1
1 531 . 12 1 1 A 52 52 GLY HA3 H 52 3.895 4.248 -0.353 1
1 532 . 12 1 1 A 52 52 GLY C C 52 173.666 173.192 0.474 1
1 533 . 12 1 1 A 52 52 GLY HA2 H 52 3.810 4.169 -0.359 1
1 534 . 12 1 1 A 53 53 GLY N N 53 106.657 106.887 -0.230 1
1 535 . 12 1 1 A 53 53 GLY H H 53 7.893 7.487 0.406 1
1 536 . 12 1 1 A 53 53 GLY CA C 53 45.199 45.735 -0.536 1
1 537 . 12 1 1 A 53 53 GLY HA3 H 53 3.613 3.968 -0.355 1
1 538 . 12 1 1 A 53 53 GLY C C 53 173.414 171.693 1.721 1
1 539 . 12 1 1 A 53 53 GLY HA2 H 53 4.036 3.936 0.100 1
1 540 . 12 1 1 A 54 54 LEU N N 54 124.121 125.256 -1.135 1
1 541 . 12 1 1 A 54 54 LEU H H 54 8.241 8.430 -0.189 1
1 542 . 12 1 1 A 54 54 LEU CA C 54 54.528 53.982 0.546 1
1 543 . 12 1 1 A 54 54 LEU HA H 54 5.056 4.358 0.698 1
1 544 . 12 1 1 A 54 54 LEU CB C 54 44.325 43.558 0.767 1
1 556 . 12 1 1 A 54 54 LEU C C 54 176.080 174.615 1.465 1
1 558 . 12 1 1 A 55 55 ASP N N 55 126.024 125.513 0.511 1
1 559 . 12 1 1 A 55 55 ASP H H 55 8.981 8.504 0.477 1
1 560 . 12 1 1 A 55 55 ASP CA C 55 54.095 52.865 1.230 1
1 561 . 12 1 1 A 55 55 ASP HA H 55 4.879 5.408 -0.529 1
1 562 . 12 1 1 A 55 55 ASP CB C 55 44.582 44.292 0.290 1
1 564 . 12 1 1 A 55 55 ASP C C 55 173.601 174.677 -1.076 1
1 566 . 12 1 1 A 56 56 LEU N N 56 125.098 124.689 0.409 1
1 567 . 12 1 1 A 56 56 LEU H H 56 8.300 9.063 -0.763 1
1 568 . 12 1 1 A 56 56 LEU CA C 56 53.221 53.458 -0.237 1
1 569 . 12 1 1 A 56 56 LEU HA H 56 5.422 5.149 0.273 1
1 570 . 12 1 1 A 56 56 LEU CB C 56 46.028 44.359 1.669 1
1 582 . 12 1 1 A 56 56 LEU C C 56 175.700 175.489 0.211 1
1 584 . 12 1 1 A 57 57 ALA N N 57 125.664 125.027 0.637 1
1 585 . 12 1 1 A 57 57 ALA H H 57 8.840 8.759 0.081 1
1 586 . 12 1 1 A 57 57 ALA CA C 57 51.851 50.447 1.404 1
1 587 . 12 1 1 A 57 57 ALA HA H 57 4.600 5.211 -0.611 1
1 588 . 12 1 1 A 57 57 ALA CB C 57 22.862 22.929 -0.067 1
1 592 . 12 1 1 A 57 57 ALA C C 57 174.504 175.664 -1.160 1
1 593 . 12 1 1 A 58 58 ILE N N 58 119.429 120.480 -1.051 1
1 594 . 12 1 1 A 58 58 ILE H H 58 8.617 8.718 -0.101 1
1 595 . 12 1 1 A 58 58 ILE CA C 58 60.143 59.594 0.549 1
1 596 . 12 1 1 A 58 58 ILE HA H 58 5.272 4.902 0.370 1
1 597 . 12 1 1 A 58 58 ILE CB C 58 41.068 41.011 0.057 1
1 609 . 12 1 1 A 58 58 ILE C C 58 175.328 174.848 0.480 1
1 611 . 12 1 1 A 59 59 GLU N N 59 128.665 124.463 4.202 1
1 612 . 12 1 1 A 59 59 GLU H H 59 9.315 8.547 0.768 1
1 613 . 12 1 1 A 59 59 GLU CA C 59 54.166 54.788 -0.622 1
1 614 . 12 1 1 A 59 59 GLU HA H 59 4.920 5.198 -0.278 1
1 615 . 12 1 1 A 59 59 GLU CB C 59 32.698 33.395 -0.697 1
1 619 . 12 1 1 A 59 59 GLU C C 59 175.108 175.767 -0.659 1
1 622 . 12 1 1 A 60 60 GLY N N 60 110.929 108.932 1.997 1
1 623 . 12 1 1 A 60 60 GLY H H 60 8.427 8.382 0.045 1
1 624 . 12 1 1 A 60 60 GLY CA C 60 45.608 45.150 0.458 1
1 625 . 12 1 1 A 60 60 GLY HA3 H 60 3.927 4.183 -0.256 1
1 626 . 12 1 1 A 60 60 GLY C C 60 171.379 174.036 -2.657 1
1 627 . 12 1 1 A 60 60 GLY HA2 H 60 3.531 4.132 -0.601 1
1 628 . 12 1 1 A 61 61 PRO CA C 61 64.103 63.952 0.151 1
1 629 . 12 1 1 A 61 61 PRO HA H 61 4.270 4.454 -0.184 1
1 630 . 12 1 1 A 61 61 PRO CB C 61 32.206 31.900 0.306 1
1 636 . 12 1 1 A 61 61 PRO C C 61 176.075 175.926 0.149 1
1 640 . 12 1 1 A 62 62 SER N N 62 108.474 111.919 -3.445 1
1 641 . 12 1 1 A 62 62 SER H H 62 7.099 7.594 -0.495 1
1 642 . 12 1 1 A 62 62 SER CA C 62 56.398 56.668 -0.270 1
1 643 . 12 1 1 A 62 62 SER HA H 62 4.655 4.769 -0.114 1
1 644 . 12 1 1 A 62 62 SER CB C 62 67.457 65.754 1.703 1
1 646 . 12 1 1 A 62 62 SER C C 62 172.805 171.737 1.068 1
1 648 . 12 1 1 A 63 63 LYS N N 63 122.679 124.422 -1.743 1
1 649 . 12 1 1 A 63 63 LYS H H 63 8.653 8.546 0.107 1
1 650 . 12 1 1 A 63 63 LYS CA C 63 55.822 54.974 0.848 1
1 651 . 12 1 1 A 63 63 LYS HA H 63 4.449 4.884 -0.435 1
1 652 . 12 1 1 A 63 63 LYS CB C 63 31.384 34.093 -2.709 1
1 660 . 12 1 1 A 63 63 LYS C C 63 175.601 175.217 0.384 1
1 665 . 12 1 1 A 64 64 ALA N N 64 130.710 130.205 0.505 1
1 666 . 12 1 1 A 64 64 ALA H H 64 8.690 8.771 -0.081 1
1 667 . 12 1 1 A 64 64 ALA CA C 64 51.425 50.852 0.573 1
1 668 . 12 1 1 A 64 64 ALA HA H 64 4.578 5.070 -0.492 1
1 669 . 12 1 1 A 64 64 ALA CB C 64 19.803 20.663 -0.860 1
1 673 . 12 1 1 A 64 64 ALA C C 64 176.395 176.911 -0.516 1
1 674 . 12 1 1 A 65 65 GLU N N 65 123.534 119.899 3.635 1
1 675 . 12 1 1 A 65 65 GLU H H 65 8.397 8.432 -0.035 1
1 676 . 12 1 1 A 65 65 GLU CA C 65 56.854 56.038 0.816 1
1 677 . 12 1 1 A 65 65 GLU HA H 65 4.278 4.435 -0.157 1
1 678 . 12 1 1 A 65 65 GLU CB C 65 30.346 30.584 -0.238 1
1 682 . 12 1 1 A 65 65 GLU C C 65 176.381 176.372 0.009 1
1 685 . 12 1 1 A 66 66 ILE N N 66 124.380 122.733 1.647 1
1 686 . 12 1 1 A 66 66 ILE H H 66 8.541 8.481 0.060 1
1 687 . 12 1 1 A 66 66 ILE CA C 66 60.568 60.417 0.151 1
1 688 . 12 1 1 A 66 66 ILE HA H 66 4.865 4.981 -0.116 1
1 689 . 12 1 1 A 66 66 ILE CB C 66 41.804 41.010 0.794 1
1 701 . 12 1 1 A 66 66 ILE C C 66 175.421 175.028 0.393 1
1 703 . 12 1 1 A 67 67 SER N N 67 122.057 124.823 -2.766 1
1 704 . 12 1 1 A 67 67 SER H H 67 9.035 8.940 0.095 1
1 705 . 12 1 1 A 67 67 SER CA C 67 56.908 57.773 -0.865 1
1 706 . 12 1 1 A 67 67 SER HA H 67 4.729 5.117 -0.388 1
1 707 . 12 1 1 A 67 67 SER CB C 67 64.980 64.936 0.044 1
1 709 . 12 1 1 A 67 67 SER C C 67 172.294 173.836 -1.542 1
1 711 . 12 1 1 A 68 68 CYS N N 68 124.699 125.447 -0.748 1
1 712 . 12 1 1 A 68 68 CYS H H 68 8.732 8.914 -0.182 1
1 713 . 12 1 1 A 68 68 CYS CA C 68 57.310 57.356 -0.046 1
1 714 . 12 1 1 A 68 68 CYS HA H 68 5.038 4.991 0.047 1
1 715 . 12 1 1 A 68 68 CYS CB C 68 28.380 29.436 -1.056 1
1 717 . 12 1 1 A 68 68 CYS C C 68 173.135 173.685 -0.550 1
1 719 . 12 1 1 A 69 69 ILE N N 69 128.680 122.712 5.968 1
1 720 . 12 1 1 A 69 69 ILE H H 69 8.757 8.115 0.642 1
1 721 . 12 1 1 A 69 69 ILE CA C 69 59.153 59.772 -0.619 1
1 722 . 12 1 1 A 69 69 ILE HA H 69 4.350 4.717 -0.367 1
1 723 . 12 1 1 A 69 69 ILE CB C 69 40.750 41.984 -1.234 1
1 735 . 12 1 1 A 69 69 ILE C C 69 174.363 173.420 0.943 1
1 737 . 12 1 1 A 70 70 ASP N N 70 126.290 125.108 1.182 1
1 738 . 12 1 1 A 70 70 ASP H H 70 8.596 8.718 -0.122 1
1 739 . 12 1 1 A 70 70 ASP CA C 70 53.671 53.861 -0.190 1
1 740 . 12 1 1 A 70 70 ASP HA H 70 4.892 5.010 -0.118 1
1 741 . 12 1 1 A 70 70 ASP CB C 70 41.069 42.173 -1.104 1
1 743 . 12 1 1 A 70 70 ASP C C 70 176.812 175.309 1.503 1
1 745 . 12 1 1 A 71 71 ASN N N 71 125.163 122.316 2.847 1
1 746 . 12 1 1 A 71 71 ASN H H 71 8.745 8.343 0.402 1
1 747 . 12 1 1 A 71 71 ASN CA C 71 54.626 51.925 2.701 1
1 748 . 12 1 1 A 71 71 ASN HA H 71 4.647 5.061 -0.414 1
1 749 . 12 1 1 A 71 71 ASN CB C 71 38.688 41.459 -2.771 1
1 754 . 12 1 1 A 71 71 ASN C C 71 175.657 175.290 0.367 1
1 756 . 12 1 1 A 72 72 LYS N N 72 114.425 121.416 -6.991 1
1 757 . 12 1 1 A 72 72 LYS H H 72 9.407 8.652 0.755 1
1 758 . 12 1 1 A 72 72 LYS CA C 72 57.535 57.160 0.375 1
1 759 . 12 1 1 A 72 72 LYS HA H 72 4.028 4.389 -0.361 1
1 760 . 12 1 1 A 72 72 LYS CB C 72 28.393 32.283 -3.890 1
1 768 . 12 1 1 A 72 72 LYS C C 72 175.123 176.894 -1.771 1
1 773 . 12 1 1 A 73 73 ASP N N 73 117.581 116.555 1.026 1
1 774 . 12 1 1 A 73 73 ASP H H 73 7.881 7.865 0.016 1
1 775 . 12 1 1 A 73 73 ASP CA C 73 52.274 53.581 -1.307 1
1 776 . 12 1 1 A 73 73 ASP HA H 73 4.769 4.767 0.002 1
1 777 . 12 1 1 A 73 73 ASP CB C 73 41.210 42.153 -0.943 1
1 779 . 12 1 1 A 73 73 ASP C C 73 177.197 176.822 0.375 1
1 781 . 12 1 1 A 74 74 GLY N N 74 109.385 107.593 1.792 1
1 782 . 12 1 1 A 74 74 GLY H H 74 8.781 8.506 0.275 1
1 783 . 12 1 1 A 74 74 GLY CA C 74 45.179 45.748 -0.569 1
1 784 . 12 1 1 A 74 74 GLY HA3 H 74 3.673 3.943 -0.270 1
1 785 . 12 1 1 A 74 74 GLY C C 74 173.671 174.168 -0.497 1
1 786 . 12 1 1 A 74 74 GLY HA2 H 74 4.469 3.940 0.529 1
1 787 . 12 1 1 A 75 75 THR N N 75 110.220 110.941 -0.721 1
1 788 . 12 1 1 A 75 75 THR H H 75 8.179 7.739 0.440 1
1 789 . 12 1 1 A 75 75 THR CA C 75 59.843 60.073 -0.230 1
1 790 . 12 1 1 A 75 75 THR HA H 75 5.678 4.990 0.688 1
1 791 . 12 1 1 A 75 75 THR CB C 75 73.810 71.371 2.439 1
1 797 . 12 1 1 A 75 75 THR C C 75 173.912 173.435 0.477 1
1 798 . 12 1 1 A 76 76 CYS N N 76 117.252 119.675 -2.423 1
1 799 . 12 1 1 A 76 76 CYS H H 76 9.295 8.915 0.380 1
1 800 . 12 1 1 A 76 76 CYS CA C 76 56.716 57.775 -1.059 1
1 801 . 12 1 1 A 76 76 CYS HA H 76 5.517 5.203 0.314 1
1 802 . 12 1 1 A 76 76 CYS CB C 76 31.176 30.484 0.692 1
1 804 . 12 1 1 A 76 76 CYS C C 76 174.083 173.117 0.966 1
1 806 . 12 1 1 A 77 77 THR N N 77 121.477 122.108 -0.631 1
1 807 . 12 1 1 A 77 77 THR H H 77 9.137 8.751 0.386 1
1 808 . 12 1 1 A 77 77 THR CA C 77 62.565 61.788 0.777 1
1 809 . 12 1 1 A 77 77 THR HA H 77 4.592 4.817 -0.225 1
1 810 . 12 1 1 A 77 77 THR CB C 77 70.447 69.290 1.157 1
1 816 . 12 1 1 A 77 77 THR C C 77 173.469 173.641 -0.172 1
1 817 . 12 1 1 A 78 78 VAL N N 78 131.586 127.723 3.863 1
1 818 . 12 1 1 A 78 78 VAL H H 78 9.099 8.104 0.995 1
1 819 . 12 1 1 A 78 78 VAL CA C 78 60.604 61.047 -0.443 1
1 820 . 12 1 1 A 78 78 VAL HA H 78 4.672 4.546 0.126 1
1 821 . 12 1 1 A 78 78 VAL CB C 78 32.061 31.948 0.113 1
1 831 . 12 1 1 A 78 78 VAL C C 78 174.618 174.801 -0.183 1
1 832 . 12 1 1 A 79 79 THR N N 79 120.071 123.549 -3.478 1
1 833 . 12 1 1 A 79 79 THR H H 79 8.782 8.709 0.073 1
1 834 . 12 1 1 A 79 79 THR CA C 79 59.685 62.300 -2.615 1
1 835 . 12 1 1 A 79 79 THR HA H 79 5.424 4.953 0.471 1
1 836 . 12 1 1 A 79 79 THR CB C 79 71.374 70.489 0.885 1
1 842 . 12 1 1 A 79 79 THR C C 79 173.250 173.557 -0.307 1
1 843 . 12 1 1 A 80 80 TYR N N 80 120.212 121.929 -1.717 1
1 844 . 12 1 1 A 80 80 TYR H H 80 9.132 8.417 0.715 1
1 845 . 12 1 1 A 80 80 TYR CA C 80 55.554 55.898 -0.344 1
1 846 . 12 1 1 A 80 80 TYR HA H 80 5.686 5.340 0.346 1
1 847 . 12 1 1 A 80 80 TYR CB C 80 42.143 41.512 0.631 1
1 857 . 12 1 1 A 80 80 TYR C C 80 172.856 172.302 0.554 1
1 859 . 12 1 1 A 81 81 LEU N N 81 121.355 123.137 -1.782 1
1 860 . 12 1 1 A 81 81 LEU H H 81 7.729 9.129 -1.400 1
1 861 . 12 1 1 A 81 81 LEU CA C 81 50.912 50.968 -0.056 1
1 862 . 12 1 1 A 81 81 LEU HA H 81 4.991 4.812 0.179 1
1 863 . 12 1 1 A 81 81 LEU CB C 81 43.636 45.264 -1.628 1
1 875 . 12 1 1 A 81 81 LEU C C 81 172.982 175.389 -2.407 1
1 877 . 12 1 1 A 82 82 PRO CA C 82 61.629 62.609 -0.980 1
1 878 . 12 1 1 A 82 82 PRO HA H 82 4.587 4.873 -0.286 1
1 879 . 12 1 1 A 82 82 PRO CB C 82 32.091 33.644 -1.553 1
1 885 . 12 1 1 A 82 82 PRO C C 82 177.683 175.970 1.713 1
1 889 . 12 1 1 A 83 83 THR N N 83 112.637 109.099 3.538 1
1 890 . 12 1 1 A 83 83 THR H H 83 8.438 8.025 0.413 1
1 891 . 12 1 1 A 83 83 THR CA C 83 62.207 61.628 0.579 1
1 892 . 12 1 1 A 83 83 THR HA H 83 4.305 4.628 -0.323 1
1 893 . 12 1 1 A 83 83 THR CB C 83 69.155 70.235 -1.080 1
1 899 . 12 1 1 A 83 83 THR C C 83 173.582 175.210 -1.628 1
1 900 . 12 1 1 A 84 84 LEU N N 84 118.186 121.710 -3.524 1
1 901 . 12 1 1 A 84 84 LEU H H 84 6.839 7.409 -0.570 1
1 902 . 12 1 1 A 84 84 LEU CA C 84 51.513 51.671 -0.158 1
1 903 . 12 1 1 A 84 84 LEU HA H 84 4.976 4.916 0.060 1
1 904 . 12 1 1 A 84 84 LEU CB C 84 45.838 45.920 -0.082 1
1 916 . 12 1 1 A 84 84 LEU C C 84 175.119 174.268 0.851 1
1 918 . 12 1 1 A 85 85 PRO CA C 85 62.660 63.400 -0.740 1
1 919 . 12 1 1 A 85 85 PRO HA H 85 4.347 4.842 -0.495 1
1 920 . 12 1 1 A 85 85 PRO CB C 85 32.801 31.772 1.029 1
1 926 . 12 1 1 A 85 85 PRO C C 85 174.117 176.178 -2.061 1
1 930 . 12 1 1 A 86 86 GLY N N 86 106.704 108.152 -1.448 1
1 931 . 12 1 1 A 86 86 GLY H H 86 9.065 7.934 1.131 1
1 932 . 12 1 1 A 86 86 GLY CA C 86 44.520 45.539 -1.019 1
1 933 . 12 1 1 A 86 86 GLY HA3 H 86 3.838 4.048 -0.210 1
1 934 . 12 1 1 A 86 86 GLY C C 86 171.468 171.298 0.170 1
1 935 . 12 1 1 A 86 86 GLY HA2 H 86 4.408 3.926 0.482 1
1 936 . 12 1 1 A 87 87 ASP N N 87 120.573 120.573 0.000 1
1 937 . 12 1 1 A 87 87 ASP H H 87 8.275 8.463 -0.188 1
1 938 . 12 1 1 A 87 87 ASP CA C 87 53.500 54.208 -0.708 1
1 939 . 12 1 1 A 87 87 ASP HA H 87 5.498 4.877 0.621 1
1 940 . 12 1 1 A 87 87 ASP CB C 87 40.877 40.731 0.146 1
1 942 . 12 1 1 A 87 87 ASP C C 87 176.069 175.256 0.813 1
1 944 . 12 1 1 A 88 88 TYR N N 88 124.115 125.933 -1.818 1
1 945 . 12 1 1 A 88 88 TYR H H 88 9.510 8.316 1.194 1
1 946 . 12 1 1 A 88 88 TYR CA C 88 56.667 58.053 -1.386 1
1 947 . 12 1 1 A 88 88 TYR HA H 88 4.983 5.034 -0.051 1
1 948 . 12 1 1 A 88 88 TYR CB C 88 39.633 38.816 0.817 1
1 958 . 12 1 1 A 88 88 TYR C C 88 174.533 175.316 -0.783 1
1 960 . 12 1 1 A 89 89 SER N N 89 118.331 121.163 -2.832 1
1 961 . 12 1 1 A 89 89 SER H H 89 9.200 8.839 0.361 1
1 962 . 12 1 1 A 89 89 SER CA C 89 56.737 58.194 -1.457 1
1 963 . 12 1 1 A 89 89 SER HA H 89 5.346 4.736 0.610 1
1 964 . 12 1 1 A 89 89 SER CB C 89 64.421 62.594 1.827 1
1 966 . 12 1 1 A 89 89 SER C C 89 173.462 173.727 -0.265 1
1 968 . 12 1 1 A 90 90 ILE N N 90 127.805 126.776 1.029 1
1 969 . 12 1 1 A 90 90 ILE H H 90 9.536 8.424 1.112 1
1 970 . 12 1 1 A 90 90 ILE CA C 90 61.209 61.473 -0.264 1
1 971 . 12 1 1 A 90 90 ILE HA H 90 4.505 4.366 0.139 1
1 972 . 12 1 1 A 90 90 ILE CB C 90 39.225 37.694 1.531 1
1 984 . 12 1 1 A 90 90 ILE C C 90 174.259 175.327 -1.068 1
1 986 . 12 1 1 A 91 91 LEU N N 91 129.968 128.309 1.659 1
1 987 . 12 1 1 A 91 91 LEU H H 91 9.354 8.819 0.535 1
1 988 . 12 1 1 A 91 91 LEU CA C 91 55.510 53.796 1.714 1
1 989 . 12 1 1 A 91 91 LEU HA H 91 4.774 5.170 -0.396 1
1 990 . 12 1 1 A 91 91 LEU CB C 91 42.674 43.907 -1.233 1
1 1002 . 12 1 1 A 91 91 LEU C C 91 175.517 175.175 0.342 1
1 1004 . 12 1 1 A 92 92 VAL N N 92 124.859 126.611 -1.752 1
1 1005 . 12 1 1 A 92 92 VAL H H 92 9.431 9.140 0.291 1
1 1006 . 12 1 1 A 92 92 VAL CA C 92 61.488 61.227 0.261 1
1 1007 . 12 1 1 A 92 92 VAL HA H 92 4.626 4.858 -0.232 1
1 1008 . 12 1 1 A 92 92 VAL CB C 92 33.437 33.271 0.166 1
1 1018 . 12 1 1 A 92 92 VAL C C 92 173.589 175.216 -1.627 1
1 1019 . 12 1 1 A 93 93 LYS N N 93 123.909 126.631 -2.722 1
1 1020 . 12 1 1 A 93 93 LYS H H 93 8.660 8.809 -0.149 1
1 1021 . 12 1 1 A 93 93 LYS CA C 93 53.953 54.422 -0.469 1
1 1022 . 12 1 1 A 93 93 LYS HA H 93 5.017 5.009 0.008 1
1 1023 . 12 1 1 A 93 93 LYS CB C 93 36.475 36.100 0.375 1
1 1031 . 12 1 1 A 93 93 LYS C C 93 174.746 174.498 0.248 1
1 1036 . 12 1 1 A 94 94 TYR N N 94 120.499 123.884 -3.385 1
1 1037 . 12 1 1 A 94 94 TYR H H 94 8.821 8.986 -0.165 1
1 1038 . 12 1 1 A 94 94 TYR CA C 94 56.438 57.556 -1.118 1
1 1039 . 12 1 1 A 94 94 TYR HA H 94 5.161 4.903 0.258 1
1 1040 . 12 1 1 A 94 94 TYR CB C 94 41.931 41.571 0.360 1
1 1050 . 12 1 1 A 94 94 TYR C C 94 176.635 175.017 1.618 1
1 1052 . 12 1 1 A 95 95 ASN N N 95 128.155 126.137 2.018 1
1 1053 . 12 1 1 A 95 95 ASN H H 95 8.872 9.155 -0.283 1
1 1054 . 12 1 1 A 95 95 ASN CA C 95 54.360 54.224 0.136 1
1 1055 . 12 1 1 A 95 95 ASN HA H 95 4.215 4.409 -0.194 1
1 1056 . 12 1 1 A 95 95 ASN CB C 95 36.735 37.291 -0.556 1
1 1061 . 12 1 1 A 95 95 ASN C C 95 174.592 174.020 0.572 1
1 1063 . 12 1 1 A 96 96 ASP N N 96 110.440 110.586 -0.146 1
1 1064 . 12 1 1 A 96 96 ASP H H 96 9.304 8.524 0.780 1
1 1065 . 12 1 1 A 96 96 ASP CA C 96 55.920 55.565 0.355 1
1 1066 . 12 1 1 A 96 96 ASP HA H 96 4.030 4.206 -0.176 1
1 1067 . 12 1 1 A 96 96 ASP CB C 96 40.704 39.164 1.540 1
1 1069 . 12 1 1 A 96 96 ASP C C 96 174.657 174.552 0.105 1
1 1071 . 12 1 1 A 97 97 LYS N N 97 118.806 117.344 1.462 1
1 1072 . 12 1 1 A 97 97 LYS H H 97 7.482 7.618 -0.136 1
1 1073 . 12 1 1 A 97 97 LYS CA C 97 54.378 54.934 -0.556 1
1 1074 . 12 1 1 A 97 97 LYS HA H 97 4.715 4.795 -0.080 1
1 1075 . 12 1 1 A 97 97 LYS CB C 97 35.127 35.169 -0.042 1
1 1083 . 12 1 1 A 97 97 LYS C C 97 176.499 175.633 0.866 1
1 1088 . 12 1 1 A 98 98 HIS N N 98 124.063 123.299 0.764 1
1 1089 . 12 1 1 A 98 98 HIS H H 98 8.795 8.710 0.085 1
1 1090 . 12 1 1 A 98 98 HIS CA C 98 58.870 57.252 1.618 1
1 1091 . 12 1 1 A 98 98 HIS HA H 98 4.496 4.613 -0.117 1
1 1092 . 12 1 1 A 98 98 HIS CB C 98 32.178 30.663 1.515 1
1 1098 . 12 1 1 A 98 98 HIS C C 98 177.720 175.883 1.837 1
1 1100 . 12 1 1 A 99 99 ILE N N 99 120.049 121.084 -1.035 1
1 1101 . 12 1 1 A 99 99 ILE H H 99 8.380 8.061 0.319 1
1 1102 . 12 1 1 A 99 99 ILE CA C 99 60.674 59.709 0.965 1
1 1103 . 12 1 1 A 99 99 ILE HA H 99 4.696 4.510 0.186 1
1 1104 . 12 1 1 A 99 99 ILE CB C 99 35.539 37.995 -2.456 1
1 1116 . 12 1 1 A 99 99 ILE C C 99 173.419 174.699 -1.280 1
1 1118 . 12 1 1 A 100 100 PRO CA C 100 65.343 63.770 1.573 1
1 1119 . 12 1 1 A 100 100 PRO HA H 100 4.255 4.284 -0.029 1
1 1120 . 12 1 1 A 100 100 PRO CB C 100 31.128 31.293 -0.165 1
1 1126 . 12 1 1 A 100 100 PRO C C 100 176.734 177.416 -0.682 1
1 1130 . 12 1 1 A 101 101 GLY N N 101 113.906 113.220 0.686 1
1 1131 . 12 1 1 A 101 101 GLY H H 101 8.167 8.837 -0.670 1
1 1132 . 12 1 1 A 101 101 GLY CA C 101 44.668 44.839 -0.171 1
1 1133 . 12 1 1 A 101 101 GLY HA3 H 101 3.120 3.839 -0.719 1
1 1134 . 12 1 1 A 101 101 GLY C C 101 171.985 174.282 -2.297 1
1 1135 . 12 1 1 A 101 101 GLY HA2 H 101 4.140 3.833 0.307 1
1 1136 . 12 1 1 A 102 102 SER N N 102 112.418 117.145 -4.727 1
1 1137 . 12 1 1 A 102 102 SER H H 102 7.641 7.347 0.294 1
1 1138 . 12 1 1 A 102 102 SER CA C 102 54.770 56.424 -1.654 1
1 1139 . 12 1 1 A 102 102 SER HA H 102 4.107 4.017 0.090 1
1 1140 . 12 1 1 A 102 102 SER CB C 102 62.454 63.295 -0.841 1
1 1142 . 12 1 1 A 102 102 SER C C 102 174.682 172.311 2.371 1
1 1144 . 12 1 1 A 103 103 PRO CA C 103 62.301 62.387 -0.086 1
1 1145 . 12 1 1 A 103 103 PRO HA H 103 5.363 4.627 0.736 1
1 1146 . 12 1 1 A 103 103 PRO CB C 103 33.964 32.554 1.410 1
1 1152 . 12 1 1 A 103 103 PRO C C 103 176.438 176.536 -0.098 1
1 1156 . 12 1 1 A 104 104 PHE N N 104 126.067 120.677 5.390 1
1 1157 . 12 1 1 A 104 104 PHE H H 104 9.449 8.216 1.233 1
1 1158 . 12 1 1 A 104 104 PHE CA C 104 57.102 57.741 -0.639 1
1 1159 . 12 1 1 A 104 104 PHE HA H 104 4.621 4.987 -0.366 1
1 1160 . 12 1 1 A 104 104 PHE CB C 104 40.656 40.443 0.213 1
1 1170 . 12 1 1 A 104 104 PHE C C 104 176.313 175.743 0.570 1
1 1172 . 12 1 1 A 105 105 THR N N 105 118.402 115.506 2.896 1
1 1173 . 12 1 1 A 105 105 THR H H 105 8.842 8.780 0.062 1
1 1174 . 12 1 1 A 105 105 THR CA C 105 62.018 61.215 0.803 1
1 1175 . 12 1 1 A 105 105 THR HA H 105 5.153 5.106 0.047 1
1 1176 . 12 1 1 A 105 105 THR CB C 105 70.095 71.351 -1.256 1
1 1182 . 12 1 1 A 105 105 THR C C 105 172.525 173.241 -0.716 1
1 1183 . 12 1 1 A 106 106 ALA N N 106 131.132 129.098 2.034 1
1 1184 . 12 1 1 A 106 106 ALA H H 106 9.192 8.426 0.766 1
1 1185 . 12 1 1 A 106 106 ALA CA C 106 50.187 50.668 -0.481 1
1 1186 . 12 1 1 A 106 106 ALA HA H 106 4.435 5.217 -0.782 1
1 1187 . 12 1 1 A 106 106 ALA CB C 106 21.021 20.332 0.689 1
1 1191 . 12 1 1 A 106 106 ALA C C 106 176.136 176.284 -0.148 1
1 1192 . 12 1 1 A 107 107 LYS N N 107 122.751 123.962 -1.211 1
1 1193 . 12 1 1 A 107 107 LYS H H 107 7.746 8.734 -0.988 1
1 1194 . 12 1 1 A 107 107 LYS CA C 107 55.652 55.705 -0.053 1
1 1195 . 12 1 1 A 107 107 LYS HA H 107 4.797 4.593 0.204 1
1 1196 . 12 1 1 A 107 107 LYS CB C 107 32.606 31.436 1.170 1
1 1204 . 12 1 1 A 107 107 LYS C C 107 174.648 175.476 -0.828 1
1 1209 . 12 1 1 A 108 108 ILE N N 108 127.629 125.666 1.963 1
1 1210 . 12 1 1 A 108 108 ILE H H 108 9.024 8.464 0.560 1
1 1211 . 12 1 1 A 108 108 ILE CA C 108 56.801 60.978 -4.177 1
1 1212 . 12 1 1 A 108 108 ILE HA H 108 4.688 5.102 -0.414 1
1 1213 . 12 1 1 A 108 108 ILE CB C 108 35.101 38.794 -3.693 1
1 1225 . 12 1 1 A 108 108 ILE C C 108 178.159 175.624 2.535 1
1 1227 . 12 1 1 A 109 109 THR N N 109 121.563 117.086 4.477 1
1 1228 . 12 1 1 A 109 109 THR H H 109 8.861 8.766 0.095 1
1 1229 . 12 1 1 A 109 109 THR CA C 109 60.745 59.560 1.185 1
1 1230 . 12 1 1 A 109 109 THR HA H 109 4.778 5.069 -0.291 1
1 1231 . 12 1 1 A 109 109 THR CB C 109 71.067 71.227 -0.160 1
1 1237 . 12 1 1 A 109 109 THR C C 109 173.421 173.661 -0.240 1
1 1238 . 12 1 1 A 110 110 ASP N N 110 119.526 121.373 -1.847 1
1 1239 . 12 1 1 A 110 110 ASP H H 110 8.631 8.594 0.037 1
1 1240 . 12 1 1 A 110 110 ASP CA C 110 53.971 52.878 1.093 1
1 1241 . 12 1 1 A 110 110 ASP HA H 110 4.729 4.942 -0.213 1
1 1242 . 12 1 1 A 110 110 ASP CB C 110 42.087 42.138 -0.051 1
1 1244 . 12 1 1 A 110 110 ASP C C 110 176.124 176.252 -0.128 1
1 1246 . 12 1 1 A 111 111 ASP N N 111 122.287 118.548 3.739 1
1 1247 . 12 1 1 A 111 111 ASP H H 111 8.638 8.636 0.002 1
1 1248 . 12 1 1 A 111 111 ASP CA C 111 54.042 54.186 -0.144 1
1 1249 . 12 1 1 A 111 111 ASP HA H 111 4.644 4.717 -0.073 1
1 1250 . 12 1 1 A 111 111 ASP CB C 111 41.218 42.186 -0.968 1
1 1252 . 12 1 1 A 111 111 ASP C C 111 176.668 176.357 0.311 1
1 1254 . 12 1 1 A 112 112 SER N N 112 117.157 115.398 1.759 1
1 1255 . 12 1 1 A 112 112 SER H H 112 8.416 8.013 0.403 1
1 1256 . 12 1 1 A 112 112 SER CA C 112 59.277 58.126 1.151 1
1 1257 . 12 1 1 A 112 112 SER HA H 112 4.348 4.549 -0.201 1
1 1258 . 12 1 1 A 112 112 SER CB C 112 63.943 62.146 1.797 1
1 1260 . 12 1 1 A 112 112 SER C C 112 174.721 173.527 1.194 1
1 1262 . 12 1 1 A 113 113 ARG N N 113 122.178 127.279 -5.101 1
1 1263 . 12 1 1 A 113 113 ARG H H 113 8.238 8.665 -0.427 1
1 1264 . 12 1 1 A 113 113 ARG CA C 113 56.195 56.449 -0.254 1
1 1265 . 12 1 1 A 113 113 ARG HA H 113 4.347 4.443 -0.096 1
1 1266 . 12 1 1 A 113 113 ARG CB C 113 30.470 30.346 0.124 1
1 1271 . 12 1 1 A 113 113 ARG C C 113 176.207 175.331 0.876 1
1 1275 . 12 1 1 A 114 114 ARG N N 114 122.696 126.013 -3.317 1
1 1276 . 12 1 1 A 114 114 ARG H H 114 8.338 8.658 -0.320 1
1 1277 . 12 1 1 A 114 114 ARG CA C 114 56.164 58.061 -1.897 1
1 1278 . 12 1 1 A 114 114 ARG HA H 114 4.390 4.403 -0.013 1
1 1279 . 12 1 1 A 114 114 ARG CB C 114 30.679 31.067 -0.388 1
1 1285 . 12 1 1 A 114 114 ARG C C 114 175.468 178.129 -2.661 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 44.699 45.075 -0.376 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.124 4.231 -0.107 1
1 3 . 13 1 1 A 7 7 GLY HA2 H 7 4.124 4.231 -0.107 1
1 4 . 13 1 1 A 8 8 PRO CA C 8 63.321 64.057 -0.736 1
1 5 . 13 1 1 A 8 8 PRO HA H 8 4.418 4.590 -0.172 1
1 6 . 13 1 1 A 8 8 PRO CB C 8 32.104 31.569 0.535 1
1 12 . 13 1 1 A 8 8 PRO C C 8 177.159 176.080 1.079 1
1 16 . 13 1 1 A 9 9 GLU N N 9 120.837 118.435 2.402 1
1 17 . 13 1 1 A 9 9 GLU H H 9 8.612 7.986 0.626 1
1 18 . 13 1 1 A 9 9 GLU CA C 9 56.642 55.424 1.218 1
1 19 . 13 1 1 A 9 9 GLU HA H 9 4.282 4.464 -0.182 1
1 20 . 13 1 1 A 9 9 GLU CB C 9 30.181 29.768 0.413 1
1 24 . 13 1 1 A 9 9 GLU C C 9 176.387 175.170 1.217 1
1 27 . 13 1 1 A 10 10 SER N N 10 117.776 123.074 -5.298 1
1 28 . 13 1 1 A 10 10 SER H H 10 8.264 8.939 -0.675 1
1 29 . 13 1 1 A 10 10 SER CA C 10 56.382 55.170 1.212 1
1 30 . 13 1 1 A 10 10 SER HA H 10 4.763 5.134 -0.371 1
1 31 . 13 1 1 A 10 10 SER CB C 10 63.575 63.823 -0.248 1
1 33 . 13 1 1 A 10 10 SER C C 10 172.958 172.316 0.642 1
1 35 . 13 1 1 A 11 11 PRO CA C 11 63.404 62.631 0.773 1
1 36 . 13 1 1 A 11 11 PRO HA H 11 4.432 4.724 -0.292 1
1 37 . 13 1 1 A 11 11 PRO CB C 11 31.958 31.778 0.180 1
1 43 . 13 1 1 A 11 11 PRO C C 11 176.922 175.231 1.691 1
1 47 . 13 1 1 A 12 12 LEU N N 12 121.245 124.376 -3.131 1
1 48 . 13 1 1 A 12 12 LEU H H 12 8.172 8.661 -0.489 1
1 49 . 13 1 1 A 12 12 LEU CA C 12 55.521 53.405 2.116 1
1 50 . 13 1 1 A 12 12 LEU HA H 12 4.236 5.086 -0.850 1
1 51 . 13 1 1 A 12 12 LEU CB C 12 42.138 44.589 -2.451 1
1 63 . 13 1 1 A 12 12 LEU C C 12 177.236 175.091 2.145 1
1 65 . 13 1 1 A 13 13 GLN N N 13 120.086 124.503 -4.417 1
1 66 . 13 1 1 A 13 13 GLN H H 13 8.098 8.887 -0.789 1
1 67 . 13 1 1 A 13 13 GLN CA C 13 55.785 54.289 1.496 1
1 68 . 13 1 1 A 13 13 GLN HA H 13 4.220 4.924 -0.704 1
1 69 . 13 1 1 A 13 13 GLN CB C 13 29.628 33.241 -3.613 1
1 76 . 13 1 1 A 13 13 GLN C C 13 175.243 174.455 0.788 1
1 79 . 13 1 1 A 14 14 PHE N N 14 120.461 117.601 2.860 1
1 80 . 13 1 1 A 14 14 PHE H H 14 8.056 8.513 -0.457 1
1 81 . 13 1 1 A 14 14 PHE CA C 14 57.739 55.881 1.858 1
1 82 . 13 1 1 A 14 14 PHE HA H 14 4.545 4.936 -0.391 1
1 83 . 13 1 1 A 14 14 PHE CB C 14 39.825 41.910 -2.085 1
1 95 . 13 1 1 A 14 14 PHE C C 14 175.022 172.530 2.492 1
1 97 . 13 1 1 A 15 15 TYR N N 15 121.213 119.000 2.213 1
1 98 . 13 1 1 A 15 15 TYR H H 15 8.004 8.956 -0.952 1
1 99 . 13 1 1 A 15 15 TYR CA C 15 57.756 55.823 1.933 1
1 100 . 13 1 1 A 15 15 TYR HA H 15 4.506 4.996 -0.490 1
1 101 . 13 1 1 A 15 15 TYR CB C 15 39.012 38.413 0.599 1
1 111 . 13 1 1 A 15 15 TYR C C 15 175.174 174.308 0.866 1
1 113 . 13 1 1 A 16 16 VAL N N 16 121.693 123.988 -2.295 1
1 114 . 13 1 1 A 16 16 VAL H H 16 7.900 8.847 -0.947 1
1 115 . 13 1 1 A 16 16 VAL CA C 16 62.248 61.185 1.063 1
1 116 . 13 1 1 A 16 16 VAL HA H 16 3.932 4.665 -0.733 1
1 117 . 13 1 1 A 16 16 VAL CB C 16 33.023 33.279 -0.256 1
1 127 . 13 1 1 A 16 16 VAL C C 16 175.016 174.537 0.479 1
1 128 . 13 1 1 A 17 17 ASN N N 17 121.488 125.920 -4.432 1
1 129 . 13 1 1 A 17 17 ASN H H 17 8.198 8.698 -0.500 1
1 130 . 13 1 1 A 17 17 ASN CA C 17 52.948 51.428 1.520 1
1 131 . 13 1 1 A 17 17 ASN HA H 17 4.630 5.385 -0.755 1
1 132 . 13 1 1 A 17 17 ASN CB C 17 39.289 41.747 -2.458 1
1 137 . 13 1 1 A 17 17 ASN C C 17 174.167 173.131 1.036 1
1 139 . 13 1 1 A 18 18 TYR N N 18 122.069 121.524 0.545 1
1 140 . 13 1 1 A 18 18 TYR H H 18 8.117 8.758 -0.641 1
1 141 . 13 1 1 A 18 18 TYR CA C 18 55.970 55.842 0.128 1
1 142 . 13 1 1 A 18 18 TYR HA H 18 4.771 4.989 -0.218 1
1 143 . 13 1 1 A 18 18 TYR CB C 18 38.260 41.961 -3.701 1
1 153 . 13 1 1 A 18 18 TYR C C 18 173.978 173.728 0.250 1
1 155 . 13 1 1 A 19 19 PRO CA C 19 63.378 62.432 0.946 1
1 156 . 13 1 1 A 19 19 PRO HA H 19 4.414 4.693 -0.279 1
1 157 . 13 1 1 A 19 19 PRO CB C 19 32.018 33.307 -1.289 1
1 163 . 13 1 1 A 19 19 PRO C C 19 176.659 175.857 0.802 1
1 167 . 13 1 1 A 20 20 ASN N N 20 118.582 114.998 3.584 1
1 168 . 13 1 1 A 20 20 ASN H H 20 8.508 8.512 -0.004 1
1 169 . 13 1 1 A 20 20 ASN CA C 20 53.334 52.163 1.171 1
1 170 . 13 1 1 A 20 20 ASN HA H 20 4.756 5.458 -0.702 1
1 171 . 13 1 1 A 20 20 ASN CB C 20 38.964 42.381 -3.417 1
1 176 . 13 1 1 A 20 20 ASN C C 20 175.301 173.501 1.800 1
1 178 . 13 1 1 A 21 21 SER N N 21 115.989 113.915 2.074 1
1 179 . 13 1 1 A 21 21 SER H H 21 8.360 8.573 -0.213 1
1 180 . 13 1 1 A 21 21 SER CA C 21 58.877 56.480 2.397 1
1 181 . 13 1 1 A 21 21 SER HA H 21 4.481 4.791 -0.310 1
1 182 . 13 1 1 A 21 21 SER CB C 21 63.988 65.705 -1.717 1
1 184 . 13 1 1 A 21 21 SER C C 21 175.006 173.899 1.107 1
1 186 . 13 1 1 A 22 22 GLY N N 22 110.974 112.154 -1.180 1
1 187 . 13 1 1 A 22 22 GLY H H 22 8.523 8.643 -0.120 1
1 188 . 13 1 1 A 22 22 GLY CA C 22 45.429 46.859 -1.430 1
1 189 . 13 1 1 A 22 22 GLY HA3 H 22 4.074 3.907 0.167 1
1 190 . 13 1 1 A 22 22 GLY C C 22 173.860 173.623 0.237 1
1 191 . 13 1 1 A 22 22 GLY HA2 H 22 4.074 3.904 0.170 1
1 192 . 13 1 1 A 23 23 SER N N 23 115.179 112.047 3.132 1
1 193 . 13 1 1 A 23 23 SER H H 23 8.190 7.926 0.264 1
1 194 . 13 1 1 A 23 23 SER CA C 23 58.233 57.401 0.832 1
1 195 . 13 1 1 A 23 23 SER HA H 23 4.511 5.139 -0.628 1
1 196 . 13 1 1 A 23 23 SER CB C 23 64.511 67.147 -2.636 1
1 198 . 13 1 1 A 23 23 SER C C 23 173.263 173.418 -0.155 1
1 200 . 13 1 1 A 24 24 VAL N N 24 122.289 123.208 -0.919 1
1 201 . 13 1 1 A 24 24 VAL H H 24 7.889 8.624 -0.735 1
1 202 . 13 1 1 A 24 24 VAL CA C 24 61.754 61.838 -0.084 1
1 203 . 13 1 1 A 24 24 VAL HA H 24 4.567 4.394 0.173 1
1 204 . 13 1 1 A 24 24 VAL CB C 24 33.612 32.186 1.426 1
1 214 . 13 1 1 A 24 24 VAL C C 24 174.799 175.004 -0.205 1
1 215 . 13 1 1 A 25 25 SER N N 25 118.995 122.629 -3.634 1
1 216 . 13 1 1 A 25 25 SER H H 25 8.244 8.766 -0.522 1
1 217 . 13 1 1 A 25 25 SER CA C 25 57.102 57.464 -0.362 1
1 218 . 13 1 1 A 25 25 SER HA H 25 5.039 5.234 -0.195 1
1 219 . 13 1 1 A 25 25 SER CB C 25 66.338 66.204 0.134 1
1 221 . 13 1 1 A 25 25 SER C C 25 171.718 173.316 -1.598 1
1 223 . 13 1 1 A 26 26 ALA N N 26 121.537 127.397 -5.860 1
1 224 . 13 1 1 A 26 26 ALA H H 26 8.503 8.986 -0.483 1
1 225 . 13 1 1 A 26 26 ALA CA C 26 50.695 50.388 0.307 1
1 226 . 13 1 1 A 26 26 ALA HA H 26 5.637 5.446 0.191 1
1 227 . 13 1 1 A 26 26 ALA CB C 26 23.364 22.119 1.245 1
1 231 . 13 1 1 A 26 26 ALA C C 26 175.355 175.854 -0.499 1
1 232 . 13 1 1 A 27 27 TYR N N 27 116.588 118.005 -1.417 1
1 233 . 13 1 1 A 27 27 TYR H H 27 8.885 8.629 0.256 1
1 234 . 13 1 1 A 27 27 TYR CA C 27 57.013 55.755 1.258 1
1 235 . 13 1 1 A 27 27 TYR HA H 27 4.742 5.207 -0.465 1
1 236 . 13 1 1 A 27 27 TYR CB C 27 40.325 41.889 -1.564 1
1 246 . 13 1 1 A 27 27 TYR C C 27 172.990 173.849 -0.859 1
1 248 . 13 1 1 A 28 28 GLY N N 28 108.423 106.616 1.807 1
1 249 . 13 1 1 A 28 28 GLY H H 28 8.475 8.509 -0.034 1
1 250 . 13 1 1 A 28 28 GLY CA C 28 44.439 44.841 -0.402 1
1 251 . 13 1 1 A 28 28 GLY HA3 H 28 4.141 4.226 -0.085 1
1 252 . 13 1 1 A 28 28 GLY C C 28 173.419 173.943 -0.524 1
1 253 . 13 1 1 A 28 28 GLY HA2 H 28 5.092 4.195 0.897 1
1 254 . 13 1 1 A 29 29 PRO CA C 29 65.537 63.713 1.824 1
1 255 . 13 1 1 A 29 29 PRO HA H 29 4.298 4.085 0.213 1
1 256 . 13 1 1 A 29 29 PRO CB C 29 31.509 31.590 -0.081 1
1 262 . 13 1 1 A 29 29 PRO C C 29 178.493 177.319 1.174 1
1 266 . 13 1 1 A 30 30 GLY N N 30 102.459 106.999 -4.540 1
1 267 . 13 1 1 A 30 30 GLY H H 30 8.655 8.337 0.318 1
1 268 . 13 1 1 A 30 30 GLY CA C 30 46.245 46.422 -0.177 1
1 269 . 13 1 1 A 30 30 GLY HA3 H 30 3.417 3.865 -0.448 1
1 270 . 13 1 1 A 30 30 GLY C C 30 172.945 175.660 -2.715 1
1 271 . 13 1 1 A 30 30 GLY HA2 H 30 4.316 3.742 0.574 1
1 272 . 13 1 1 A 31 31 LEU N N 31 116.436 122.889 -6.453 1
1 273 . 13 1 1 A 31 31 LEU H H 31 7.049 7.482 -0.433 1
1 274 . 13 1 1 A 31 31 LEU CA C 31 55.368 57.389 -2.021 1
1 275 . 13 1 1 A 31 31 LEU HA H 31 3.784 3.895 -0.111 1
1 276 . 13 1 1 A 31 31 LEU CB C 31 42.148 41.507 0.641 1
1 288 . 13 1 1 A 31 31 LEU C C 31 175.321 178.958 -3.637 1
1 290 . 13 1 1 A 32 32 VAL N N 32 112.078 117.476 -5.398 1
1 291 . 13 1 1 A 32 32 VAL H H 32 7.739 6.987 0.752 1
1 292 . 13 1 1 A 32 32 VAL CA C 32 62.956 65.586 -2.630 1
1 293 . 13 1 1 A 32 32 VAL HA H 32 4.574 3.659 0.915 1
1 294 . 13 1 1 A 32 32 VAL CB C 32 35.415 31.608 3.807 1
1 304 . 13 1 1 A 32 32 VAL C C 32 176.810 175.838 0.972 1
1 305 . 13 1 1 A 33 33 TYR N N 33 121.116 115.668 5.448 1
1 306 . 13 1 1 A 33 33 TYR H H 33 8.638 7.320 1.318 1
1 307 . 13 1 1 A 33 33 TYR CA C 33 56.523 55.985 0.538 1
1 308 . 13 1 1 A 33 33 TYR HA H 33 5.639 4.925 0.714 1
1 309 . 13 1 1 A 33 33 TYR CB C 33 42.165 40.786 1.379 1
1 319 . 13 1 1 A 33 33 TYR C C 33 172.858 173.776 -0.918 1
1 321 . 13 1 1 A 34 34 GLY N N 34 107.313 106.799 0.514 1
1 322 . 13 1 1 A 34 34 GLY H H 34 7.637 8.621 -0.984 1
1 323 . 13 1 1 A 34 34 GLY CA C 34 44.721 46.014 -1.293 1
1 324 . 13 1 1 A 34 34 GLY HA3 H 34 3.793 4.498 -0.705 1
1 325 . 13 1 1 A 34 34 GLY C C 34 170.727 171.804 -1.077 1
1 326 . 13 1 1 A 34 34 GLY HA2 H 34 3.873 4.450 -0.577 1
1 327 . 13 1 1 A 35 35 VAL N N 35 120.853 119.452 1.401 1
1 328 . 13 1 1 A 35 35 VAL H H 35 8.731 8.393 0.338 1
1 329 . 13 1 1 A 35 35 VAL CA C 35 60.627 60.851 -0.224 1
1 330 . 13 1 1 A 35 35 VAL HA H 35 4.589 4.851 -0.262 1
1 331 . 13 1 1 A 35 35 VAL CB C 35 35.374 35.748 -0.374 1
1 341 . 13 1 1 A 35 35 VAL C C 35 174.813 175.205 -0.392 1
1 342 . 13 1 1 A 36 36 ALA N N 36 127.708 129.937 -2.229 1
1 343 . 13 1 1 A 36 36 ALA H H 36 8.482 8.467 0.015 1
1 344 . 13 1 1 A 36 36 ALA CA C 36 53.332 53.604 -0.272 1
1 345 . 13 1 1 A 36 36 ALA HA H 36 3.535 4.096 -0.561 1
1 346 . 13 1 1 A 36 36 ALA CB C 36 17.653 18.520 -0.867 1
1 350 . 13 1 1 A 36 36 ALA C C 36 176.968 178.200 -1.232 1
1 351 . 13 1 1 A 37 37 ASN N N 37 111.234 116.779 -5.545 1
1 352 . 13 1 1 A 37 37 ASN H H 37 9.147 9.045 0.102 1
1 353 . 13 1 1 A 37 37 ASN CA C 37 55.728 54.370 1.358 1
1 354 . 13 1 1 A 37 37 ASN HA H 37 3.962 4.330 -0.368 1
1 355 . 13 1 1 A 37 37 ASN CB C 37 37.147 37.179 -0.032 1
1 360 . 13 1 1 A 37 37 ASN C C 37 173.119 173.912 -0.793 1
1 362 . 13 1 1 A 38 38 LYS N N 38 119.100 117.046 2.054 1
1 363 . 13 1 1 A 38 38 LYS H H 38 7.972 7.522 0.450 1
1 364 . 13 1 1 A 38 38 LYS CA C 38 54.306 54.787 -0.481 1
1 365 . 13 1 1 A 38 38 LYS HA H 38 4.606 4.768 -0.162 1
1 366 . 13 1 1 A 38 38 LYS CB C 38 34.799 36.709 -1.910 1
1 374 . 13 1 1 A 38 38 LYS C C 38 175.533 175.981 -0.448 1
1 379 . 13 1 1 A 39 39 THR N N 39 114.730 113.893 0.837 1
1 380 . 13 1 1 A 39 39 THR H H 39 8.158 8.487 -0.329 1
1 381 . 13 1 1 A 39 39 THR CA C 39 63.302 62.004 1.298 1
1 382 . 13 1 1 A 39 39 THR HA H 39 4.138 4.328 -0.190 1
1 383 . 13 1 1 A 39 39 THR CB C 39 69.652 69.928 -0.276 1
1 389 . 13 1 1 A 39 39 THR C C 39 174.281 173.880 0.401 1
1 390 . 13 1 1 A 40 40 ALA N N 40 129.891 123.994 5.897 1
1 391 . 13 1 1 A 40 40 ALA H H 40 8.750 8.560 0.190 1
1 392 . 13 1 1 A 40 40 ALA CA C 40 50.399 51.897 -1.498 1
1 393 . 13 1 1 A 40 40 ALA HA H 40 4.702 4.828 -0.126 1
1 394 . 13 1 1 A 40 40 ALA CB C 40 20.495 19.747 0.748 1
1 398 . 13 1 1 A 40 40 ALA C C 40 176.039 175.658 0.381 1
1 399 . 13 1 1 A 41 41 THR N N 41 112.902 118.944 -6.042 1
1 400 . 13 1 1 A 41 41 THR H H 41 8.536 8.898 -0.362 1
1 401 . 13 1 1 A 41 41 THR CA C 41 59.688 61.209 -1.521 1
1 402 . 13 1 1 A 41 41 THR HA H 41 5.779 5.257 0.522 1
1 403 . 13 1 1 A 41 41 THR CB C 41 72.348 71.310 1.038 1
1 409 . 13 1 1 A 41 41 THR C C 41 173.286 173.906 -0.620 1
1 410 . 13 1 1 A 42 42 PHE N N 42 119.525 121.334 -1.809 1
1 411 . 13 1 1 A 42 42 PHE H H 42 8.825 8.107 0.718 1
1 412 . 13 1 1 A 42 42 PHE CA C 42 57.031 55.298 1.733 1
1 413 . 13 1 1 A 42 42 PHE HA H 42 5.013 5.576 -0.563 1
1 414 . 13 1 1 A 42 42 PHE CB C 42 40.155 42.041 -1.886 1
1 426 . 13 1 1 A 42 42 PHE C C 42 171.282 173.065 -1.783 1
1 428 . 13 1 1 A 43 43 THR N N 43 117.427 115.689 1.738 1
1 429 . 13 1 1 A 43 43 THR H H 43 9.210 8.298 0.912 1
1 430 . 13 1 1 A 43 43 THR CA C 43 62.250 61.334 0.916 1
1 431 . 13 1 1 A 43 43 THR HA H 43 4.987 4.739 0.248 1
1 432 . 13 1 1 A 43 43 THR CB C 43 71.510 70.246 1.264 1
1 438 . 13 1 1 A 43 43 THR C C 43 173.061 173.616 -0.555 1
1 439 . 13 1 1 A 44 44 ILE N N 44 123.638 126.891 -3.253 1
1 440 . 13 1 1 A 44 44 ILE H H 44 8.859 8.787 0.072 1
1 441 . 13 1 1 A 44 44 ILE CA C 44 59.843 59.872 -0.029 1
1 442 . 13 1 1 A 44 44 ILE HA H 44 4.824 4.639 0.185 1
1 443 . 13 1 1 A 44 44 ILE CB C 44 40.866 40.172 0.694 1
1 455 . 13 1 1 A 44 44 ILE C C 44 174.707 175.520 -0.813 1
1 457 . 13 1 1 A 45 45 VAL N N 45 128.904 128.540 0.364 1
1 458 . 13 1 1 A 45 45 VAL H H 45 9.299 9.138 0.161 1
1 459 . 13 1 1 A 45 45 VAL CA C 45 62.119 63.311 -1.192 1
1 460 . 13 1 1 A 45 45 VAL HA H 45 4.492 4.124 0.368 1
1 461 . 13 1 1 A 45 45 VAL CB C 45 32.683 31.035 1.648 1
1 471 . 13 1 1 A 45 45 VAL C C 45 175.606 176.004 -0.398 1
1 472 . 13 1 1 A 46 46 THR N N 46 117.412 122.731 -5.319 1
1 473 . 13 1 1 A 46 46 THR H H 46 8.434 8.879 -0.445 1
1 474 . 13 1 1 A 46 46 THR CA C 46 60.650 60.885 -0.235 1
1 475 . 13 1 1 A 46 46 THR HA H 46 4.505 4.538 -0.033 1
1 476 . 13 1 1 A 46 46 THR CB C 46 69.432 68.966 0.466 1
1 482 . 13 1 1 A 46 46 THR C C 46 174.882 175.441 -0.559 1
1 483 . 13 1 1 A 47 47 GLU N N 47 122.657 122.194 0.463 1
1 484 . 13 1 1 A 47 47 GLU H H 47 8.052 8.031 0.021 1
1 485 . 13 1 1 A 47 47 GLU CA C 47 57.419 60.045 -2.626 1
1 486 . 13 1 1 A 47 47 GLU HA H 47 4.231 4.133 0.098 1
1 487 . 13 1 1 A 47 47 GLU CB C 47 30.281 29.717 0.564 1
1 491 . 13 1 1 A 47 47 GLU C C 47 175.887 177.017 -1.130 1
1 494 . 13 1 1 A 48 48 ASP N N 48 120.269 115.263 5.006 1
1 495 . 13 1 1 A 48 48 ASP H H 48 8.536 8.120 0.416 1
1 496 . 13 1 1 A 48 48 ASP CA C 48 54.396 52.991 1.405 1
1 497 . 13 1 1 A 48 48 ASP HA H 48 4.638 4.850 -0.212 1
1 498 . 13 1 1 A 48 48 ASP CB C 48 40.979 41.006 -0.027 1
1 500 . 13 1 1 A 48 48 ASP C C 48 175.709 175.223 0.486 1
1 502 . 13 1 1 A 49 49 ALA N N 49 122.506 122.888 -0.382 1
1 503 . 13 1 1 A 49 49 ALA H H 49 8.109 7.482 0.627 1
1 504 . 13 1 1 A 49 49 ALA CA C 49 52.774 50.456 2.318 1
1 505 . 13 1 1 A 49 49 ALA HA H 49 4.195 4.403 -0.208 1
1 506 . 13 1 1 A 49 49 ALA CB C 49 19.343 19.212 0.131 1
1 510 . 13 1 1 A 49 49 ALA C C 49 178.316 177.231 1.085 1
1 511 . 13 1 1 A 50 50 GLY N N 50 107.563 109.616 -2.053 1
1 512 . 13 1 1 A 50 50 GLY H H 50 8.269 8.339 -0.070 1
1 513 . 13 1 1 A 50 50 GLY CA C 50 45.288 44.616 0.672 1
1 514 . 13 1 1 A 50 50 GLY HA3 H 50 3.993 4.159 -0.166 1
1 515 . 13 1 1 A 50 50 GLY C C 50 174.421 172.439 1.982 1
1 516 . 13 1 1 A 50 50 GLY HA2 H 50 3.993 4.111 -0.118 1
1 517 . 13 1 1 A 51 51 GLU N N 51 121.358 120.769 0.589 1
1 518 . 13 1 1 A 51 51 GLU H H 51 8.519 8.578 -0.059 1
1 519 . 13 1 1 A 51 51 GLU CA C 51 56.890 55.417 1.473 1
1 520 . 13 1 1 A 51 51 GLU HA H 51 4.309 4.582 -0.273 1
1 521 . 13 1 1 A 51 51 GLU CB C 51 30.204 29.059 1.145 1
1 525 . 13 1 1 A 51 51 GLU C C 51 177.003 176.433 0.570 1
1 528 . 13 1 1 A 52 52 GLY N N 52 109.575 114.000 -4.425 1
1 529 . 13 1 1 A 52 52 GLY H H 52 8.349 8.650 -0.301 1
1 530 . 13 1 1 A 52 52 GLY CA C 52 45.571 45.885 -0.314 1
1 531 . 13 1 1 A 52 52 GLY HA3 H 52 3.895 4.083 -0.188 1
1 532 . 13 1 1 A 52 52 GLY C C 52 173.666 175.131 -1.465 1
1 533 . 13 1 1 A 52 52 GLY HA2 H 52 3.810 4.051 -0.241 1
1 534 . 13 1 1 A 53 53 GLY N N 53 106.657 105.244 1.413 1
1 535 . 13 1 1 A 53 53 GLY H H 53 7.893 7.561 0.332 1
1 536 . 13 1 1 A 53 53 GLY CA C 53 45.199 45.630 -0.431 1
1 537 . 13 1 1 A 53 53 GLY HA3 H 53 3.613 4.137 -0.524 1
1 538 . 13 1 1 A 53 53 GLY C C 53 173.414 173.888 -0.474 1
1 539 . 13 1 1 A 53 53 GLY HA2 H 53 4.036 4.092 -0.056 1
1 540 . 13 1 1 A 54 54 LEU N N 54 124.121 123.749 0.372 1
1 541 . 13 1 1 A 54 54 LEU H H 54 8.241 8.134 0.107 1
1 542 . 13 1 1 A 54 54 LEU CA C 54 54.528 54.301 0.227 1
1 543 . 13 1 1 A 54 54 LEU HA H 54 5.056 5.057 -0.001 1
1 544 . 13 1 1 A 54 54 LEU CB C 54 44.325 43.062 1.263 1
1 556 . 13 1 1 A 54 54 LEU C C 54 176.080 174.951 1.129 1
1 558 . 13 1 1 A 55 55 ASP N N 55 126.024 127.917 -1.893 1
1 559 . 13 1 1 A 55 55 ASP H H 55 8.981 9.014 -0.033 1
1 560 . 13 1 1 A 55 55 ASP CA C 55 54.095 52.813 1.282 1
1 561 . 13 1 1 A 55 55 ASP HA H 55 4.879 5.353 -0.474 1
1 562 . 13 1 1 A 55 55 ASP CB C 55 44.582 44.678 -0.096 1
1 564 . 13 1 1 A 55 55 ASP C C 55 173.601 173.891 -0.290 1
1 566 . 13 1 1 A 56 56 LEU N N 56 125.098 127.064 -1.966 1
1 567 . 13 1 1 A 56 56 LEU H H 56 8.300 8.995 -0.695 1
1 568 . 13 1 1 A 56 56 LEU CA C 56 53.221 53.614 -0.393 1
1 569 . 13 1 1 A 56 56 LEU HA H 56 5.422 5.173 0.249 1
1 570 . 13 1 1 A 56 56 LEU CB C 56 46.028 44.769 1.259 1
1 582 . 13 1 1 A 56 56 LEU C C 56 175.700 174.954 0.746 1
1 584 . 13 1 1 A 57 57 ALA N N 57 125.664 126.725 -1.061 1
1 585 . 13 1 1 A 57 57 ALA H H 57 8.840 8.976 -0.136 1
1 586 . 13 1 1 A 57 57 ALA CA C 57 51.851 50.616 1.235 1
1 587 . 13 1 1 A 57 57 ALA HA H 57 4.600 5.212 -0.612 1
1 588 . 13 1 1 A 57 57 ALA CB C 57 22.862 22.926 -0.064 1
1 592 . 13 1 1 A 57 57 ALA C C 57 174.504 175.827 -1.323 1
1 593 . 13 1 1 A 58 58 ILE N N 58 119.429 120.756 -1.327 1
1 594 . 13 1 1 A 58 58 ILE H H 58 8.617 8.760 -0.143 1
1 595 . 13 1 1 A 58 58 ILE CA C 58 60.143 59.485 0.658 1
1 596 . 13 1 1 A 58 58 ILE HA H 58 5.272 4.937 0.335 1
1 597 . 13 1 1 A 58 58 ILE CB C 58 41.068 41.196 -0.128 1
1 609 . 13 1 1 A 58 58 ILE C C 58 175.328 174.700 0.628 1
1 611 . 13 1 1 A 59 59 GLU N N 59 128.665 123.539 5.126 1
1 612 . 13 1 1 A 59 59 GLU H H 59 9.315 8.702 0.613 1
1 613 . 13 1 1 A 59 59 GLU CA C 59 54.166 54.968 -0.802 1
1 614 . 13 1 1 A 59 59 GLU HA H 59 4.920 5.068 -0.148 1
1 615 . 13 1 1 A 59 59 GLU CB C 59 32.698 33.042 -0.344 1
1 619 . 13 1 1 A 59 59 GLU C C 59 175.108 175.483 -0.375 1
1 622 . 13 1 1 A 60 60 GLY N N 60 110.929 108.536 2.393 1
1 623 . 13 1 1 A 60 60 GLY H H 60 8.427 8.302 0.125 1
1 624 . 13 1 1 A 60 60 GLY CA C 60 45.608 44.586 1.022 1
1 625 . 13 1 1 A 60 60 GLY HA3 H 60 3.927 4.104 -0.177 1
1 626 . 13 1 1 A 60 60 GLY C C 60 171.379 173.890 -2.511 1
1 627 . 13 1 1 A 60 60 GLY HA2 H 60 3.531 3.929 -0.398 1
1 628 . 13 1 1 A 61 61 PRO CA C 61 64.103 63.880 0.223 1
1 629 . 13 1 1 A 61 61 PRO HA H 61 4.270 4.393 -0.123 1
1 630 . 13 1 1 A 61 61 PRO CB C 61 32.206 31.878 0.328 1
1 636 . 13 1 1 A 61 61 PRO C C 61 176.075 176.028 0.047 1
1 640 . 13 1 1 A 62 62 SER N N 62 108.474 111.331 -2.857 1
1 641 . 13 1 1 A 62 62 SER H H 62 7.099 7.545 -0.446 1
1 642 . 13 1 1 A 62 62 SER CA C 62 56.398 57.096 -0.698 1
1 643 . 13 1 1 A 62 62 SER HA H 62 4.655 4.625 0.030 1
1 644 . 13 1 1 A 62 62 SER CB C 62 67.457 64.895 2.562 1
1 646 . 13 1 1 A 62 62 SER C C 62 172.805 172.159 0.646 1
1 648 . 13 1 1 A 63 63 LYS N N 63 122.679 124.043 -1.364 1
1 649 . 13 1 1 A 63 63 LYS H H 63 8.653 8.436 0.217 1
1 650 . 13 1 1 A 63 63 LYS CA C 63 55.822 56.120 -0.298 1
1 651 . 13 1 1 A 63 63 LYS HA H 63 4.449 4.684 -0.235 1
1 652 . 13 1 1 A 63 63 LYS CB C 63 31.384 33.625 -2.241 1
1 660 . 13 1 1 A 63 63 LYS C C 63 175.601 175.825 -0.224 1
1 665 . 13 1 1 A 64 64 ALA N N 64 130.710 128.200 2.510 1
1 666 . 13 1 1 A 64 64 ALA H H 64 8.690 8.600 0.090 1
1 667 . 13 1 1 A 64 64 ALA CA C 64 51.425 50.248 1.177 1
1 668 . 13 1 1 A 64 64 ALA HA H 64 4.578 5.211 -0.633 1
1 669 . 13 1 1 A 64 64 ALA CB C 64 19.803 23.166 -3.363 1
1 673 . 13 1 1 A 64 64 ALA C C 64 176.395 176.205 0.190 1
1 674 . 13 1 1 A 65 65 GLU N N 65 123.534 120.745 2.789 1
1 675 . 13 1 1 A 65 65 GLU H H 65 8.397 8.643 -0.246 1
1 676 . 13 1 1 A 65 65 GLU CA C 65 56.854 57.566 -0.712 1
1 677 . 13 1 1 A 65 65 GLU HA H 65 4.278 4.470 -0.192 1
1 678 . 13 1 1 A 65 65 GLU CB C 65 30.346 30.502 -0.156 1
1 682 . 13 1 1 A 65 65 GLU C C 65 176.381 176.021 0.360 1
1 685 . 13 1 1 A 66 66 ILE N N 66 124.380 122.186 2.194 1
1 686 . 13 1 1 A 66 66 ILE H H 66 8.541 8.582 -0.041 1
1 687 . 13 1 1 A 66 66 ILE CA C 66 60.568 60.447 0.121 1
1 688 . 13 1 1 A 66 66 ILE HA H 66 4.865 4.878 -0.013 1
1 689 . 13 1 1 A 66 66 ILE CB C 66 41.804 41.112 0.692 1
1 701 . 13 1 1 A 66 66 ILE C C 66 175.421 174.123 1.298 1
1 703 . 13 1 1 A 67 67 SER N N 67 122.057 122.883 -0.826 1
1 704 . 13 1 1 A 67 67 SER H H 67 9.035 9.005 0.030 1
1 705 . 13 1 1 A 67 67 SER CA C 67 56.908 56.752 0.156 1
1 706 . 13 1 1 A 67 67 SER HA H 67 4.729 4.923 -0.194 1
1 707 . 13 1 1 A 67 67 SER CB C 67 64.980 64.049 0.931 1
1 709 . 13 1 1 A 67 67 SER C C 67 172.294 172.735 -0.441 1
1 711 . 13 1 1 A 68 68 CYS N N 68 124.699 127.333 -2.634 1
1 712 . 13 1 1 A 68 68 CYS H H 68 8.732 9.051 -0.319 1
1 713 . 13 1 1 A 68 68 CYS CA C 68 57.310 58.103 -0.793 1
1 714 . 13 1 1 A 68 68 CYS HA H 68 5.038 4.828 0.210 1
1 715 . 13 1 1 A 68 68 CYS CB C 68 28.380 29.330 -0.950 1
1 717 . 13 1 1 A 68 68 CYS C C 68 173.135 173.721 -0.586 1
1 719 . 13 1 1 A 69 69 ILE N N 69 128.680 127.961 0.719 1
1 720 . 13 1 1 A 69 69 ILE H H 69 8.757 9.168 -0.411 1
1 721 . 13 1 1 A 69 69 ILE CA C 69 59.153 59.825 -0.672 1
1 722 . 13 1 1 A 69 69 ILE HA H 69 4.350 4.757 -0.407 1
1 723 . 13 1 1 A 69 69 ILE CB C 69 40.750 40.970 -0.220 1
1 735 . 13 1 1 A 69 69 ILE C C 69 174.363 173.726 0.637 1
1 737 . 13 1 1 A 70 70 ASP N N 70 126.290 127.997 -1.707 1
1 738 . 13 1 1 A 70 70 ASP H H 70 8.596 8.771 -0.175 1
1 739 . 13 1 1 A 70 70 ASP CA C 70 53.671 52.608 1.063 1
1 740 . 13 1 1 A 70 70 ASP HA H 70 4.892 5.327 -0.435 1
1 741 . 13 1 1 A 70 70 ASP CB C 70 41.069 44.421 -3.352 1
1 743 . 13 1 1 A 70 70 ASP C C 70 176.812 174.973 1.839 1
1 745 . 13 1 1 A 71 71 ASN N N 71 125.163 123.489 1.674 1
1 746 . 13 1 1 A 71 71 ASN H H 71 8.745 8.500 0.245 1
1 747 . 13 1 1 A 71 71 ASN CA C 71 54.626 51.975 2.651 1
1 748 . 13 1 1 A 71 71 ASN HA H 71 4.647 5.071 -0.424 1
1 749 . 13 1 1 A 71 71 ASN CB C 71 38.688 40.903 -2.215 1
1 754 . 13 1 1 A 71 71 ASN C C 71 175.657 175.255 0.402 1
1 756 . 13 1 1 A 72 72 LYS N N 72 114.425 119.427 -5.002 1
1 757 . 13 1 1 A 72 72 LYS H H 72 9.407 8.564 0.843 1
1 758 . 13 1 1 A 72 72 LYS CA C 72 57.535 55.610 1.925 1
1 759 . 13 1 1 A 72 72 LYS HA H 72 4.028 4.546 -0.518 1
1 760 . 13 1 1 A 72 72 LYS CB C 72 28.393 32.280 -3.887 1
1 768 . 13 1 1 A 72 72 LYS C C 72 175.123 176.379 -1.256 1
1 773 . 13 1 1 A 73 73 ASP N N 73 117.581 120.618 -3.037 1
1 774 . 13 1 1 A 73 73 ASP H H 73 7.881 7.911 -0.030 1
1 775 . 13 1 1 A 73 73 ASP CA C 73 52.274 54.705 -2.431 1
1 776 . 13 1 1 A 73 73 ASP HA H 73 4.769 4.823 -0.054 1
1 777 . 13 1 1 A 73 73 ASP CB C 73 41.210 42.750 -1.540 1
1 779 . 13 1 1 A 73 73 ASP C C 73 177.197 176.325 0.872 1
1 781 . 13 1 1 A 74 74 GLY N N 74 109.385 107.308 2.077 1
1 782 . 13 1 1 A 74 74 GLY H H 74 8.781 8.073 0.708 1
1 783 . 13 1 1 A 74 74 GLY CA C 74 45.179 45.096 0.083 1
1 784 . 13 1 1 A 74 74 GLY HA3 H 74 3.673 4.065 -0.392 1
1 785 . 13 1 1 A 74 74 GLY C C 74 173.671 173.584 0.087 1
1 786 . 13 1 1 A 74 74 GLY HA2 H 74 4.469 4.053 0.416 1
1 787 . 13 1 1 A 75 75 THR N N 75 110.220 109.768 0.452 1
1 788 . 13 1 1 A 75 75 THR H H 75 8.179 7.527 0.652 1
1 789 . 13 1 1 A 75 75 THR CA C 75 59.843 60.061 -0.218 1
1 790 . 13 1 1 A 75 75 THR HA H 75 5.678 5.036 0.642 1
1 791 . 13 1 1 A 75 75 THR CB C 75 73.810 72.947 0.863 1
1 797 . 13 1 1 A 75 75 THR C C 75 173.912 172.469 1.443 1
1 798 . 13 1 1 A 76 76 CYS N N 76 117.252 119.493 -2.241 1
1 799 . 13 1 1 A 76 76 CYS H H 76 9.295 8.862 0.433 1
1 800 . 13 1 1 A 76 76 CYS CA C 76 56.716 57.676 -0.960 1
1 801 . 13 1 1 A 76 76 CYS HA H 76 5.517 5.183 0.334 1
1 802 . 13 1 1 A 76 76 CYS CB C 76 31.176 31.909 -0.733 1
1 804 . 13 1 1 A 76 76 CYS C C 76 174.083 173.118 0.965 1
1 806 . 13 1 1 A 77 77 THR N N 77 121.477 118.124 3.353 1
1 807 . 13 1 1 A 77 77 THR H H 77 9.137 8.741 0.396 1
1 808 . 13 1 1 A 77 77 THR CA C 77 62.565 61.540 1.025 1
1 809 . 13 1 1 A 77 77 THR HA H 77 4.592 4.800 -0.208 1
1 810 . 13 1 1 A 77 77 THR CB C 77 70.447 69.780 0.667 1
1 816 . 13 1 1 A 77 77 THR C C 77 173.469 173.259 0.210 1
1 817 . 13 1 1 A 78 78 VAL N N 78 131.586 127.610 3.976 1
1 818 . 13 1 1 A 78 78 VAL H H 78 9.099 8.060 1.039 1
1 819 . 13 1 1 A 78 78 VAL CA C 78 60.604 60.577 0.027 1
1 820 . 13 1 1 A 78 78 VAL HA H 78 4.672 4.835 -0.163 1
1 821 . 13 1 1 A 78 78 VAL CB C 78 32.061 32.434 -0.373 1
1 831 . 13 1 1 A 78 78 VAL C C 78 174.618 174.823 -0.205 1
1 832 . 13 1 1 A 79 79 THR N N 79 120.071 122.994 -2.923 1
1 833 . 13 1 1 A 79 79 THR H H 79 8.782 8.753 0.029 1
1 834 . 13 1 1 A 79 79 THR CA C 79 59.685 62.312 -2.627 1
1 835 . 13 1 1 A 79 79 THR HA H 79 5.424 4.969 0.455 1
1 836 . 13 1 1 A 79 79 THR CB C 79 71.374 70.793 0.581 1
1 842 . 13 1 1 A 79 79 THR C C 79 173.250 173.598 -0.348 1
1 843 . 13 1 1 A 80 80 TYR N N 80 120.212 121.030 -0.818 1
1 844 . 13 1 1 A 80 80 TYR H H 80 9.132 8.237 0.895 1
1 845 . 13 1 1 A 80 80 TYR CA C 80 55.554 55.863 -0.309 1
1 846 . 13 1 1 A 80 80 TYR HA H 80 5.686 5.423 0.263 1
1 847 . 13 1 1 A 80 80 TYR CB C 80 42.143 41.643 0.500 1
1 857 . 13 1 1 A 80 80 TYR C C 80 172.856 172.462 0.394 1
1 859 . 13 1 1 A 81 81 LEU N N 81 121.355 123.600 -2.245 1
1 860 . 13 1 1 A 81 81 LEU H H 81 7.729 9.006 -1.277 1
1 861 . 13 1 1 A 81 81 LEU CA C 81 50.912 51.121 -0.209 1
1 862 . 13 1 1 A 81 81 LEU HA H 81 4.991 4.821 0.170 1
1 863 . 13 1 1 A 81 81 LEU CB C 81 43.636 45.120 -1.484 1
1 875 . 13 1 1 A 81 81 LEU C C 81 172.982 175.246 -2.264 1
1 877 . 13 1 1 A 82 82 PRO CA C 82 61.629 62.719 -1.090 1
1 878 . 13 1 1 A 82 82 PRO HA H 82 4.587 4.914 -0.327 1
1 879 . 13 1 1 A 82 82 PRO CB C 82 32.091 33.669 -1.578 1
1 885 . 13 1 1 A 82 82 PRO C C 82 177.683 176.081 1.602 1
1 889 . 13 1 1 A 83 83 THR N N 83 112.637 108.932 3.705 1
1 890 . 13 1 1 A 83 83 THR H H 83 8.438 8.391 0.047 1
1 891 . 13 1 1 A 83 83 THR CA C 83 62.207 61.511 0.696 1
1 892 . 13 1 1 A 83 83 THR HA H 83 4.305 4.664 -0.359 1
1 893 . 13 1 1 A 83 83 THR CB C 83 69.155 70.394 -1.239 1
1 899 . 13 1 1 A 83 83 THR C C 83 173.582 175.212 -1.630 1
1 900 . 13 1 1 A 84 84 LEU N N 84 118.186 121.970 -3.784 1
1 901 . 13 1 1 A 84 84 LEU H H 84 6.839 7.595 -0.756 1
1 902 . 13 1 1 A 84 84 LEU CA C 84 51.513 51.594 -0.081 1
1 903 . 13 1 1 A 84 84 LEU HA H 84 4.976 4.904 0.072 1
1 904 . 13 1 1 A 84 84 LEU CB C 84 45.838 45.712 0.126 1
1 916 . 13 1 1 A 84 84 LEU C C 84 175.119 174.494 0.625 1
1 918 . 13 1 1 A 85 85 PRO CA C 85 62.660 63.261 -0.601 1
1 919 . 13 1 1 A 85 85 PRO HA H 85 4.347 4.900 -0.553 1
1 920 . 13 1 1 A 85 85 PRO CB C 85 32.801 31.714 1.087 1
1 926 . 13 1 1 A 85 85 PRO C C 85 174.117 176.152 -2.035 1
1 930 . 13 1 1 A 86 86 GLY N N 86 106.704 108.441 -1.737 1
1 931 . 13 1 1 A 86 86 GLY H H 86 9.065 7.991 1.074 1
1 932 . 13 1 1 A 86 86 GLY CA C 86 44.520 45.454 -0.934 1
1 933 . 13 1 1 A 86 86 GLY HA3 H 86 3.838 4.076 -0.238 1
1 934 . 13 1 1 A 86 86 GLY C C 86 171.468 172.712 -1.244 1
1 935 . 13 1 1 A 86 86 GLY HA2 H 86 4.408 3.975 0.433 1
1 936 . 13 1 1 A 87 87 ASP N N 87 120.573 119.576 0.997 1
1 937 . 13 1 1 A 87 87 ASP H H 87 8.275 8.413 -0.138 1
1 938 . 13 1 1 A 87 87 ASP CA C 87 53.500 53.234 0.266 1
1 939 . 13 1 1 A 87 87 ASP HA H 87 5.498 4.913 0.585 1
1 940 . 13 1 1 A 87 87 ASP CB C 87 40.877 39.824 1.053 1
1 942 . 13 1 1 A 87 87 ASP C C 87 176.069 175.051 1.018 1
1 944 . 13 1 1 A 88 88 TYR N N 88 124.115 126.037 -1.922 1
1 945 . 13 1 1 A 88 88 TYR H H 88 9.510 8.376 1.134 1
1 946 . 13 1 1 A 88 88 TYR CA C 88 56.667 58.807 -2.140 1
1 947 . 13 1 1 A 88 88 TYR HA H 88 4.983 4.619 0.364 1
1 948 . 13 1 1 A 88 88 TYR CB C 88 39.633 38.404 1.229 1
1 958 . 13 1 1 A 88 88 TYR C C 88 174.533 175.291 -0.758 1
1 960 . 13 1 1 A 89 89 SER N N 89 118.331 121.599 -3.268 1
1 961 . 13 1 1 A 89 89 SER H H 89 9.200 8.945 0.255 1
1 962 . 13 1 1 A 89 89 SER CA C 89 56.737 58.121 -1.384 1
1 963 . 13 1 1 A 89 89 SER HA H 89 5.346 4.679 0.667 1
1 964 . 13 1 1 A 89 89 SER CB C 89 64.421 62.285 2.136 1
1 966 . 13 1 1 A 89 89 SER C C 89 173.462 173.756 -0.294 1
1 968 . 13 1 1 A 90 90 ILE N N 90 127.805 126.784 1.021 1
1 969 . 13 1 1 A 90 90 ILE H H 90 9.536 8.355 1.181 1
1 970 . 13 1 1 A 90 90 ILE CA C 90 61.209 61.472 -0.263 1
1 971 . 13 1 1 A 90 90 ILE HA H 90 4.505 4.384 0.121 1
1 972 . 13 1 1 A 90 90 ILE CB C 90 39.225 37.709 1.516 1
1 984 . 13 1 1 A 90 90 ILE C C 90 174.259 175.592 -1.333 1
1 986 . 13 1 1 A 91 91 LEU N N 91 129.968 128.685 1.283 1
1 987 . 13 1 1 A 91 91 LEU H H 91 9.354 9.233 0.121 1
1 988 . 13 1 1 A 91 91 LEU CA C 91 55.510 53.319 2.191 1
1 989 . 13 1 1 A 91 91 LEU HA H 91 4.774 5.217 -0.443 1
1 990 . 13 1 1 A 91 91 LEU CB C 91 42.674 43.919 -1.245 1
1 1002 . 13 1 1 A 91 91 LEU C C 91 175.517 176.227 -0.710 1
1 1004 . 13 1 1 A 92 92 VAL N N 92 124.859 124.315 0.544 1
1 1005 . 13 1 1 A 92 92 VAL H H 92 9.431 9.035 0.396 1
1 1006 . 13 1 1 A 92 92 VAL CA C 92 61.488 61.219 0.269 1
1 1007 . 13 1 1 A 92 92 VAL HA H 92 4.626 4.768 -0.142 1
1 1008 . 13 1 1 A 92 92 VAL CB C 92 33.437 35.032 -1.595 1
1 1018 . 13 1 1 A 92 92 VAL C C 92 173.589 174.313 -0.724 1
1 1019 . 13 1 1 A 93 93 LYS N N 93 123.909 126.053 -2.144 1
1 1020 . 13 1 1 A 93 93 LYS H H 93 8.660 8.401 0.259 1
1 1021 . 13 1 1 A 93 93 LYS CA C 93 53.953 54.123 -0.170 1
1 1022 . 13 1 1 A 93 93 LYS HA H 93 5.017 4.753 0.264 1
1 1023 . 13 1 1 A 93 93 LYS CB C 93 36.475 35.777 0.698 1
1 1031 . 13 1 1 A 93 93 LYS C C 93 174.746 175.051 -0.305 1
1 1036 . 13 1 1 A 94 94 TYR N N 94 120.499 123.207 -2.708 1
1 1037 . 13 1 1 A 94 94 TYR H H 94 8.821 9.381 -0.560 1
1 1038 . 13 1 1 A 94 94 TYR CA C 94 56.438 57.732 -1.294 1
1 1039 . 13 1 1 A 94 94 TYR HA H 94 5.161 5.102 0.059 1
1 1040 . 13 1 1 A 94 94 TYR CB C 94 41.931 41.613 0.318 1
1 1050 . 13 1 1 A 94 94 TYR C C 94 176.635 174.896 1.739 1
1 1052 . 13 1 1 A 95 95 ASN N N 95 128.155 125.894 2.261 1
1 1053 . 13 1 1 A 95 95 ASN H H 95 8.872 9.330 -0.458 1
1 1054 . 13 1 1 A 95 95 ASN CA C 95 54.360 54.400 -0.040 1
1 1055 . 13 1 1 A 95 95 ASN HA H 95 4.215 4.206 0.009 1
1 1056 . 13 1 1 A 95 95 ASN CB C 95 36.735 36.610 0.125 1
1 1061 . 13 1 1 A 95 95 ASN C C 95 174.592 174.808 -0.216 1
1 1063 . 13 1 1 A 96 96 ASP N N 96 110.440 116.112 -5.672 1
1 1064 . 13 1 1 A 96 96 ASP H H 96 9.304 8.482 0.822 1
1 1065 . 13 1 1 A 96 96 ASP CA C 96 55.920 55.262 0.658 1
1 1066 . 13 1 1 A 96 96 ASP HA H 96 4.030 4.185 -0.155 1
1 1067 . 13 1 1 A 96 96 ASP CB C 96 40.704 39.686 1.018 1
1 1069 . 13 1 1 A 96 96 ASP C C 96 174.657 174.579 0.078 1
1 1071 . 13 1 1 A 97 97 LYS N N 97 118.806 117.199 1.607 1
1 1072 . 13 1 1 A 97 97 LYS H H 97 7.482 7.516 -0.034 1
1 1073 . 13 1 1 A 97 97 LYS CA C 97 54.378 54.921 -0.543 1
1 1074 . 13 1 1 A 97 97 LYS HA H 97 4.715 4.782 -0.067 1
1 1075 . 13 1 1 A 97 97 LYS CB C 97 35.127 36.177 -1.050 1
1 1083 . 13 1 1 A 97 97 LYS C C 97 176.499 175.342 1.157 1
1 1088 . 13 1 1 A 98 98 HIS N N 98 124.063 121.972 2.091 1
1 1089 . 13 1 1 A 98 98 HIS H H 98 8.795 8.869 -0.074 1
1 1090 . 13 1 1 A 98 98 HIS CA C 98 58.870 56.849 2.021 1
1 1091 . 13 1 1 A 98 98 HIS HA H 98 4.496 4.666 -0.170 1
1 1092 . 13 1 1 A 98 98 HIS CB C 98 32.178 30.271 1.907 1
1 1098 . 13 1 1 A 98 98 HIS C C 98 177.720 175.753 1.967 1
1 1100 . 13 1 1 A 99 99 ILE N N 99 120.049 119.798 0.251 1
1 1101 . 13 1 1 A 99 99 ILE H H 99 8.380 8.126 0.254 1
1 1102 . 13 1 1 A 99 99 ILE CA C 99 60.674 59.782 0.892 1
1 1103 . 13 1 1 A 99 99 ILE HA H 99 4.696 4.488 0.208 1
1 1104 . 13 1 1 A 99 99 ILE CB C 99 35.539 37.948 -2.409 1
1 1116 . 13 1 1 A 99 99 ILE C C 99 173.419 174.857 -1.438 1
1 1118 . 13 1 1 A 100 100 PRO CA C 100 65.343 63.112 2.231 1
1 1119 . 13 1 1 A 100 100 PRO HA H 100 4.255 4.456 -0.201 1
1 1120 . 13 1 1 A 100 100 PRO CB C 100 31.128 30.245 0.883 1
1 1126 . 13 1 1 A 100 100 PRO C C 100 176.734 177.397 -0.663 1
1 1130 . 13 1 1 A 101 101 GLY N N 101 113.906 113.090 0.816 1
1 1131 . 13 1 1 A 101 101 GLY H H 101 8.167 8.353 -0.186 1
1 1132 . 13 1 1 A 101 101 GLY CA C 101 44.668 45.198 -0.530 1
1 1133 . 13 1 1 A 101 101 GLY HA3 H 101 3.120 4.083 -0.963 1
1 1134 . 13 1 1 A 101 101 GLY C C 101 171.985 174.175 -2.190 1
1 1135 . 13 1 1 A 101 101 GLY HA2 H 101 4.140 4.034 0.106 1
1 1136 . 13 1 1 A 102 102 SER N N 102 112.418 115.478 -3.060 1
1 1137 . 13 1 1 A 102 102 SER H H 102 7.641 7.499 0.142 1
1 1138 . 13 1 1 A 102 102 SER CA C 102 54.770 55.824 -1.054 1
1 1139 . 13 1 1 A 102 102 SER HA H 102 4.107 3.927 0.180 1
1 1140 . 13 1 1 A 102 102 SER CB C 102 62.454 63.621 -1.167 1
1 1142 . 13 1 1 A 102 102 SER C C 102 174.682 173.236 1.446 1
1 1144 . 13 1 1 A 103 103 PRO CA C 103 62.301 62.264 0.037 1
1 1145 . 13 1 1 A 103 103 PRO HA H 103 5.363 4.533 0.830 1
1 1146 . 13 1 1 A 103 103 PRO CB C 103 33.964 32.193 1.771 1
1 1152 . 13 1 1 A 103 103 PRO C C 103 176.438 175.319 1.119 1
1 1156 . 13 1 1 A 104 104 PHE N N 104 126.067 119.101 6.966 1
1 1157 . 13 1 1 A 104 104 PHE H H 104 9.449 8.327 1.122 1
1 1158 . 13 1 1 A 104 104 PHE CA C 104 57.102 57.370 -0.268 1
1 1159 . 13 1 1 A 104 104 PHE HA H 104 4.621 4.989 -0.368 1
1 1160 . 13 1 1 A 104 104 PHE CB C 104 40.656 41.522 -0.866 1
1 1170 . 13 1 1 A 104 104 PHE C C 104 176.313 175.348 0.965 1
1 1172 . 13 1 1 A 105 105 THR N N 105 118.402 116.830 1.572 1
1 1173 . 13 1 1 A 105 105 THR H H 105 8.842 8.961 -0.119 1
1 1174 . 13 1 1 A 105 105 THR CA C 105 62.018 61.505 0.513 1
1 1175 . 13 1 1 A 105 105 THR HA H 105 5.153 5.053 0.100 1
1 1176 . 13 1 1 A 105 105 THR CB C 105 70.095 70.056 0.039 1
1 1182 . 13 1 1 A 105 105 THR C C 105 172.525 172.928 -0.403 1
1 1183 . 13 1 1 A 106 106 ALA N N 106 131.132 129.458 1.674 1
1 1184 . 13 1 1 A 106 106 ALA H H 106 9.192 8.901 0.291 1
1 1185 . 13 1 1 A 106 106 ALA CA C 106 50.187 50.694 -0.507 1
1 1186 . 13 1 1 A 106 106 ALA HA H 106 4.435 5.133 -0.698 1
1 1187 . 13 1 1 A 106 106 ALA CB C 106 21.021 20.353 0.668 1
1 1191 . 13 1 1 A 106 106 ALA C C 106 176.136 176.495 -0.359 1
1 1192 . 13 1 1 A 107 107 LYS N N 107 122.751 123.424 -0.673 1
1 1193 . 13 1 1 A 107 107 LYS H H 107 7.746 8.629 -0.883 1
1 1194 . 13 1 1 A 107 107 LYS CA C 107 55.652 55.782 -0.130 1
1 1195 . 13 1 1 A 107 107 LYS HA H 107 4.797 4.541 0.256 1
1 1196 . 13 1 1 A 107 107 LYS CB C 107 32.606 31.106 1.500 1
1 1204 . 13 1 1 A 107 107 LYS C C 107 174.648 175.543 -0.895 1
1 1209 . 13 1 1 A 108 108 ILE N N 108 127.629 125.684 1.945 1
1 1210 . 13 1 1 A 108 108 ILE H H 108 9.024 8.855 0.169 1
1 1211 . 13 1 1 A 108 108 ILE CA C 108 56.801 61.196 -4.395 1
1 1212 . 13 1 1 A 108 108 ILE HA H 108 4.688 4.967 -0.279 1
1 1213 . 13 1 1 A 108 108 ILE CB C 108 35.101 38.559 -3.458 1
1 1225 . 13 1 1 A 108 108 ILE C C 108 178.159 175.314 2.845 1
1 1227 . 13 1 1 A 109 109 THR N N 109 121.563 120.827 0.736 1
1 1228 . 13 1 1 A 109 109 THR H H 109 8.861 8.427 0.434 1
1 1229 . 13 1 1 A 109 109 THR CA C 109 60.745 59.624 1.121 1
1 1230 . 13 1 1 A 109 109 THR HA H 109 4.778 5.140 -0.362 1
1 1231 . 13 1 1 A 109 109 THR CB C 109 71.067 72.268 -1.201 1
1 1237 . 13 1 1 A 109 109 THR C C 109 173.421 172.456 0.965 1
1 1238 . 13 1 1 A 110 110 ASP N N 110 119.526 123.161 -3.635 1
1 1239 . 13 1 1 A 110 110 ASP H H 110 8.631 8.678 -0.047 1
1 1240 . 13 1 1 A 110 110 ASP CA C 110 53.971 52.714 1.257 1
1 1241 . 13 1 1 A 110 110 ASP HA H 110 4.729 5.230 -0.501 1
1 1242 . 13 1 1 A 110 110 ASP CB C 110 42.087 41.757 0.330 1
1 1244 . 13 1 1 A 110 110 ASP C C 110 176.124 175.002 1.122 1
1 1246 . 13 1 1 A 111 111 ASP N N 111 122.287 125.792 -3.505 1
1 1247 . 13 1 1 A 111 111 ASP H H 111 8.638 8.784 -0.146 1
1 1248 . 13 1 1 A 111 111 ASP CA C 111 54.042 52.481 1.561 1
1 1249 . 13 1 1 A 111 111 ASP HA H 111 4.644 4.962 -0.318 1
1 1250 . 13 1 1 A 111 111 ASP CB C 111 41.218 41.551 -0.333 1
1 1252 . 13 1 1 A 111 111 ASP C C 111 176.668 176.521 0.147 1
1 1254 . 13 1 1 A 112 112 SER N N 112 117.157 117.865 -0.708 1
1 1255 . 13 1 1 A 112 112 SER H H 112 8.416 8.072 0.344 1
1 1256 . 13 1 1 A 112 112 SER CA C 112 59.277 61.551 -2.274 1
1 1257 . 13 1 1 A 112 112 SER HA H 112 4.348 4.078 0.270 1
1 1258 . 13 1 1 A 112 112 SER CB C 112 63.943 63.186 0.757 1
1 1260 . 13 1 1 A 112 112 SER C C 112 174.721 175.394 -0.673 1
1 1262 . 13 1 1 A 113 113 ARG N N 113 122.178 121.002 1.176 1
1 1263 . 13 1 1 A 113 113 ARG H H 113 8.238 7.746 0.492 1
1 1264 . 13 1 1 A 113 113 ARG CA C 113 56.195 55.834 0.361 1
1 1265 . 13 1 1 A 113 113 ARG HA H 113 4.347 4.222 0.125 1
1 1266 . 13 1 1 A 113 113 ARG CB C 113 30.470 30.487 -0.017 1
1 1271 . 13 1 1 A 113 113 ARG C C 113 176.207 175.598 0.609 1
1 1275 . 13 1 1 A 114 114 ARG N N 114 122.696 123.187 -0.491 1
1 1276 . 13 1 1 A 114 114 ARG H H 114 8.338 8.452 -0.114 1
1 1277 . 13 1 1 A 114 114 ARG CA C 114 56.164 56.160 0.004 1
1 1278 . 13 1 1 A 114 114 ARG HA H 114 4.390 4.214 0.176 1
1 1279 . 13 1 1 A 114 114 ARG CB C 114 30.679 30.754 -0.075 1
1 1285 . 13 1 1 A 114 114 ARG C C 114 175.468 175.416 0.052 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 44.699 45.498 -0.799 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.124 4.265 -0.141 1
1 3 . 14 1 1 A 7 7 GLY HA2 H 7 4.124 4.264 -0.140 1
1 4 . 14 1 1 A 8 8 PRO CA C 8 63.321 62.533 0.788 1
1 5 . 14 1 1 A 8 8 PRO HA H 8 4.418 4.632 -0.214 1
1 6 . 14 1 1 A 8 8 PRO CB C 8 32.104 33.198 -1.094 1
1 12 . 14 1 1 A 8 8 PRO C C 8 177.159 175.942 1.217 1
1 16 . 14 1 1 A 9 9 GLU N N 9 120.837 117.084 3.753 1
1 17 . 14 1 1 A 9 9 GLU H H 9 8.612 8.596 0.016 1
1 18 . 14 1 1 A 9 9 GLU CA C 9 56.642 55.548 1.094 1
1 19 . 14 1 1 A 9 9 GLU HA H 9 4.282 4.995 -0.713 1
1 20 . 14 1 1 A 9 9 GLU CB C 9 30.181 32.682 -2.501 1
1 24 . 14 1 1 A 9 9 GLU C C 9 176.387 174.031 2.356 1
1 27 . 14 1 1 A 10 10 SER N N 10 117.776 116.399 1.377 1
1 28 . 14 1 1 A 10 10 SER H H 10 8.264 8.812 -0.548 1
1 29 . 14 1 1 A 10 10 SER CA C 10 56.382 55.681 0.701 1
1 30 . 14 1 1 A 10 10 SER HA H 10 4.763 4.984 -0.221 1
1 31 . 14 1 1 A 10 10 SER CB C 10 63.575 65.944 -2.369 1
1 33 . 14 1 1 A 10 10 SER C C 10 172.958 171.942 1.016 1
1 35 . 14 1 1 A 11 11 PRO CA C 11 63.404 62.499 0.905 1
1 36 . 14 1 1 A 11 11 PRO HA H 11 4.432 4.664 -0.232 1
1 37 . 14 1 1 A 11 11 PRO CB C 11 31.958 33.393 -1.435 1
1 43 . 14 1 1 A 11 11 PRO C C 11 176.922 175.273 1.649 1
1 47 . 14 1 1 A 12 12 LEU N N 12 121.245 121.252 -0.007 1
1 48 . 14 1 1 A 12 12 LEU H H 12 8.172 8.525 -0.353 1
1 49 . 14 1 1 A 12 12 LEU CA C 12 55.521 53.129 2.392 1
1 50 . 14 1 1 A 12 12 LEU HA H 12 4.236 4.742 -0.506 1
1 51 . 14 1 1 A 12 12 LEU CB C 12 42.138 46.077 -3.939 1
1 63 . 14 1 1 A 12 12 LEU C C 12 177.236 174.931 2.305 1
1 65 . 14 1 1 A 13 13 GLN N N 13 120.086 120.220 -0.134 1
1 66 . 14 1 1 A 13 13 GLN H H 13 8.098 8.375 -0.277 1
1 67 . 14 1 1 A 13 13 GLN CA C 13 55.785 56.238 -0.453 1
1 68 . 14 1 1 A 13 13 GLN HA H 13 4.220 4.247 -0.027 1
1 69 . 14 1 1 A 13 13 GLN CB C 13 29.628 29.419 0.209 1
1 76 . 14 1 1 A 13 13 GLN C C 13 175.243 174.657 0.586 1
1 79 . 14 1 1 A 14 14 PHE N N 14 120.461 124.705 -4.244 1
1 80 . 14 1 1 A 14 14 PHE H H 14 8.056 8.834 -0.778 1
1 81 . 14 1 1 A 14 14 PHE CA C 14 57.739 56.036 1.703 1
1 82 . 14 1 1 A 14 14 PHE HA H 14 4.545 5.143 -0.598 1
1 83 . 14 1 1 A 14 14 PHE CB C 14 39.825 43.940 -4.115 1
1 95 . 14 1 1 A 14 14 PHE C C 14 175.022 173.738 1.284 1
1 97 . 14 1 1 A 15 15 TYR N N 15 121.213 119.134 2.079 1
1 98 . 14 1 1 A 15 15 TYR H H 15 8.004 9.194 -1.190 1
1 99 . 14 1 1 A 15 15 TYR CA C 15 57.756 56.371 1.385 1
1 100 . 14 1 1 A 15 15 TYR HA H 15 4.506 5.236 -0.730 1
1 101 . 14 1 1 A 15 15 TYR CB C 15 39.012 42.398 -3.386 1
1 111 . 14 1 1 A 15 15 TYR C C 15 175.174 174.965 0.209 1
1 113 . 14 1 1 A 16 16 VAL N N 16 121.693 117.440 4.253 1
1 114 . 14 1 1 A 16 16 VAL H H 16 7.900 8.989 -1.089 1
1 115 . 14 1 1 A 16 16 VAL CA C 16 62.248 59.253 2.995 1
1 116 . 14 1 1 A 16 16 VAL HA H 16 3.932 4.972 -1.040 1
1 117 . 14 1 1 A 16 16 VAL CB C 16 33.023 34.769 -1.746 1
1 127 . 14 1 1 A 16 16 VAL C C 16 175.016 174.426 0.590 1
1 128 . 14 1 1 A 17 17 ASN N N 17 121.488 119.413 2.075 1
1 129 . 14 1 1 A 17 17 ASN H H 17 8.198 8.926 -0.728 1
1 130 . 14 1 1 A 17 17 ASN CA C 17 52.948 51.194 1.754 1
1 131 . 14 1 1 A 17 17 ASN HA H 17 4.630 5.468 -0.838 1
1 132 . 14 1 1 A 17 17 ASN CB C 17 39.289 42.789 -3.500 1
1 137 . 14 1 1 A 17 17 ASN C C 17 174.167 172.868 1.299 1
1 139 . 14 1 1 A 18 18 TYR N N 18 122.069 117.209 4.860 1
1 140 . 14 1 1 A 18 18 TYR H H 18 8.117 8.810 -0.693 1
1 141 . 14 1 1 A 18 18 TYR CA C 18 55.970 55.867 0.103 1
1 142 . 14 1 1 A 18 18 TYR HA H 18 4.771 4.998 -0.227 1
1 143 . 14 1 1 A 18 18 TYR CB C 18 38.260 42.218 -3.958 1
1 153 . 14 1 1 A 18 18 TYR C C 18 173.978 173.461 0.517 1
1 155 . 14 1 1 A 19 19 PRO CA C 19 63.378 62.617 0.761 1
1 156 . 14 1 1 A 19 19 PRO HA H 19 4.414 4.680 -0.266 1
1 157 . 14 1 1 A 19 19 PRO CB C 19 32.018 33.180 -1.162 1
1 163 . 14 1 1 A 19 19 PRO C C 19 176.659 176.762 -0.103 1
1 167 . 14 1 1 A 20 20 ASN N N 20 118.582 119.878 -1.296 1
1 168 . 14 1 1 A 20 20 ASN H H 20 8.508 8.847 -0.339 1
1 169 . 14 1 1 A 20 20 ASN CA C 20 53.334 52.725 0.609 1
1 170 . 14 1 1 A 20 20 ASN HA H 20 4.756 4.875 -0.119 1
1 171 . 14 1 1 A 20 20 ASN CB C 20 38.964 36.830 2.134 1
1 176 . 14 1 1 A 20 20 ASN C C 20 175.301 174.512 0.789 1
1 178 . 14 1 1 A 21 21 SER N N 21 115.989 114.654 1.335 1
1 179 . 14 1 1 A 21 21 SER H H 21 8.360 8.032 0.328 1
1 180 . 14 1 1 A 21 21 SER CA C 21 58.877 57.871 1.006 1
1 181 . 14 1 1 A 21 21 SER HA H 21 4.481 4.811 -0.330 1
1 182 . 14 1 1 A 21 21 SER CB C 21 63.988 64.045 -0.057 1
1 184 . 14 1 1 A 21 21 SER C C 21 175.006 174.622 0.384 1
1 186 . 14 1 1 A 22 22 GLY N N 22 110.974 111.270 -0.296 1
1 187 . 14 1 1 A 22 22 GLY H H 22 8.523 8.658 -0.135 1
1 188 . 14 1 1 A 22 22 GLY CA C 22 45.429 45.507 -0.078 1
1 189 . 14 1 1 A 22 22 GLY HA3 H 22 4.074 4.210 -0.136 1
1 190 . 14 1 1 A 22 22 GLY C C 22 173.860 172.429 1.431 1
1 191 . 14 1 1 A 22 22 GLY HA2 H 22 4.074 4.204 -0.130 1
1 192 . 14 1 1 A 23 23 SER N N 23 115.179 118.835 -3.656 1
1 193 . 14 1 1 A 23 23 SER H H 23 8.190 8.795 -0.605 1
1 194 . 14 1 1 A 23 23 SER CA C 23 58.233 57.569 0.664 1
1 195 . 14 1 1 A 23 23 SER HA H 23 4.511 5.070 -0.559 1
1 196 . 14 1 1 A 23 23 SER CB C 23 64.511 67.271 -2.760 1
1 198 . 14 1 1 A 23 23 SER C C 23 173.263 172.644 0.619 1
1 200 . 14 1 1 A 24 24 VAL N N 24 122.289 124.044 -1.755 1
1 201 . 14 1 1 A 24 24 VAL H H 24 7.889 8.832 -0.943 1
1 202 . 14 1 1 A 24 24 VAL CA C 24 61.754 61.334 0.420 1
1 203 . 14 1 1 A 24 24 VAL HA H 24 4.567 4.784 -0.217 1
1 204 . 14 1 1 A 24 24 VAL CB C 24 33.612 33.100 0.512 1
1 214 . 14 1 1 A 24 24 VAL C C 24 174.799 175.543 -0.744 1
1 215 . 14 1 1 A 25 25 SER N N 25 118.995 123.469 -4.474 1
1 216 . 14 1 1 A 25 25 SER H H 25 8.244 8.582 -0.338 1
1 217 . 14 1 1 A 25 25 SER CA C 25 57.102 57.452 -0.350 1
1 218 . 14 1 1 A 25 25 SER HA H 25 5.039 5.340 -0.301 1
1 219 . 14 1 1 A 25 25 SER CB C 25 66.338 66.095 0.243 1
1 221 . 14 1 1 A 25 25 SER C C 25 171.718 173.420 -1.702 1
1 223 . 14 1 1 A 26 26 ALA N N 26 121.537 126.807 -5.270 1
1 224 . 14 1 1 A 26 26 ALA H H 26 8.503 8.989 -0.486 1
1 225 . 14 1 1 A 26 26 ALA CA C 26 50.695 50.334 0.361 1
1 226 . 14 1 1 A 26 26 ALA HA H 26 5.637 5.588 0.049 1
1 227 . 14 1 1 A 26 26 ALA CB C 26 23.364 22.437 0.927 1
1 231 . 14 1 1 A 26 26 ALA C C 26 175.355 175.777 -0.422 1
1 232 . 14 1 1 A 27 27 TYR N N 27 116.588 117.264 -0.676 1
1 233 . 14 1 1 A 27 27 TYR H H 27 8.885 8.802 0.083 1
1 234 . 14 1 1 A 27 27 TYR CA C 27 57.013 55.854 1.159 1
1 235 . 14 1 1 A 27 27 TYR HA H 27 4.742 5.135 -0.393 1
1 236 . 14 1 1 A 27 27 TYR CB C 27 40.325 41.733 -1.408 1
1 246 . 14 1 1 A 27 27 TYR C C 27 172.990 173.927 -0.937 1
1 248 . 14 1 1 A 28 28 GLY N N 28 108.423 106.539 1.884 1
1 249 . 14 1 1 A 28 28 GLY H H 28 8.475 8.476 -0.001 1
1 250 . 14 1 1 A 28 28 GLY CA C 28 44.439 44.426 0.013 1
1 251 . 14 1 1 A 28 28 GLY HA3 H 28 4.141 4.136 0.005 1
1 252 . 14 1 1 A 28 28 GLY C C 28 173.419 173.884 -0.465 1
1 253 . 14 1 1 A 28 28 GLY HA2 H 28 5.092 4.115 0.977 1
1 254 . 14 1 1 A 29 29 PRO CA C 29 65.537 63.769 1.768 1
1 255 . 14 1 1 A 29 29 PRO HA H 29 4.298 4.126 0.172 1
1 256 . 14 1 1 A 29 29 PRO CB C 29 31.509 31.632 -0.123 1
1 262 . 14 1 1 A 29 29 PRO C C 29 178.493 177.305 1.188 1
1 266 . 14 1 1 A 30 30 GLY N N 30 102.459 107.155 -4.696 1
1 267 . 14 1 1 A 30 30 GLY H H 30 8.655 8.367 0.288 1
1 268 . 14 1 1 A 30 30 GLY CA C 30 46.245 46.374 -0.129 1
1 269 . 14 1 1 A 30 30 GLY HA3 H 30 3.417 4.053 -0.636 1
1 270 . 14 1 1 A 30 30 GLY C C 30 172.945 175.679 -2.734 1
1 271 . 14 1 1 A 30 30 GLY HA2 H 30 4.316 3.911 0.405 1
1 272 . 14 1 1 A 31 31 LEU N N 31 116.436 122.652 -6.216 1
1 273 . 14 1 1 A 31 31 LEU H H 31 7.049 7.475 -0.426 1
1 274 . 14 1 1 A 31 31 LEU CA C 31 55.368 57.434 -2.066 1
1 275 . 14 1 1 A 31 31 LEU HA H 31 3.784 3.860 -0.076 1
1 276 . 14 1 1 A 31 31 LEU CB C 31 42.148 41.481 0.667 1
1 288 . 14 1 1 A 31 31 LEU C C 31 175.321 179.083 -3.762 1
1 290 . 14 1 1 A 32 32 VAL N N 32 112.078 117.459 -5.381 1
1 291 . 14 1 1 A 32 32 VAL H H 32 7.739 6.927 0.812 1
1 292 . 14 1 1 A 32 32 VAL CA C 32 62.956 65.218 -2.262 1
1 293 . 14 1 1 A 32 32 VAL HA H 32 4.574 3.623 0.951 1
1 294 . 14 1 1 A 32 32 VAL CB C 32 35.415 31.559 3.856 1
1 304 . 14 1 1 A 32 32 VAL C C 32 176.810 175.808 1.002 1
1 305 . 14 1 1 A 33 33 TYR N N 33 121.116 115.630 5.486 1
1 306 . 14 1 1 A 33 33 TYR H H 33 8.638 7.304 1.334 1
1 307 . 14 1 1 A 33 33 TYR CA C 33 56.523 55.925 0.598 1
1 308 . 14 1 1 A 33 33 TYR HA H 33 5.639 4.919 0.720 1
1 309 . 14 1 1 A 33 33 TYR CB C 33 42.165 40.423 1.742 1
1 319 . 14 1 1 A 33 33 TYR C C 33 172.858 173.697 -0.839 1
1 321 . 14 1 1 A 34 34 GLY N N 34 107.313 106.786 0.527 1
1 322 . 14 1 1 A 34 34 GLY H H 34 7.637 8.541 -0.904 1
1 323 . 14 1 1 A 34 34 GLY CA C 34 44.721 45.532 -0.811 1
1 324 . 14 1 1 A 34 34 GLY HA3 H 34 3.793 4.524 -0.731 1
1 325 . 14 1 1 A 34 34 GLY C C 34 170.727 171.935 -1.208 1
1 326 . 14 1 1 A 34 34 GLY HA2 H 34 3.873 4.458 -0.585 1
1 327 . 14 1 1 A 35 35 VAL N N 35 120.853 120.193 0.660 1
1 328 . 14 1 1 A 35 35 VAL H H 35 8.731 8.382 0.349 1
1 329 . 14 1 1 A 35 35 VAL CA C 35 60.627 60.520 0.107 1
1 330 . 14 1 1 A 35 35 VAL HA H 35 4.589 4.773 -0.184 1
1 331 . 14 1 1 A 35 35 VAL CB C 35 35.374 35.379 -0.005 1
1 341 . 14 1 1 A 35 35 VAL C C 35 174.813 175.012 -0.199 1
1 342 . 14 1 1 A 36 36 ALA N N 36 127.708 130.357 -2.649 1
1 343 . 14 1 1 A 36 36 ALA H H 36 8.482 8.347 0.135 1
1 344 . 14 1 1 A 36 36 ALA CA C 36 53.332 53.611 -0.279 1
1 345 . 14 1 1 A 36 36 ALA HA H 36 3.535 4.027 -0.492 1
1 346 . 14 1 1 A 36 36 ALA CB C 36 17.653 18.576 -0.923 1
1 350 . 14 1 1 A 36 36 ALA C C 36 176.968 178.119 -1.151 1
1 351 . 14 1 1 A 37 37 ASN N N 37 111.234 117.320 -6.086 1
1 352 . 14 1 1 A 37 37 ASN H H 37 9.147 8.891 0.256 1
1 353 . 14 1 1 A 37 37 ASN CA C 37 55.728 54.389 1.339 1
1 354 . 14 1 1 A 37 37 ASN HA H 37 3.962 4.336 -0.374 1
1 355 . 14 1 1 A 37 37 ASN CB C 37 37.147 37.195 -0.048 1
1 360 . 14 1 1 A 37 37 ASN C C 37 173.119 173.536 -0.417 1
1 362 . 14 1 1 A 38 38 LYS N N 38 119.100 118.109 0.991 1
1 363 . 14 1 1 A 38 38 LYS H H 38 7.972 7.354 0.618 1
1 364 . 14 1 1 A 38 38 LYS CA C 38 54.306 54.727 -0.421 1
1 365 . 14 1 1 A 38 38 LYS HA H 38 4.606 4.806 -0.200 1
1 366 . 14 1 1 A 38 38 LYS CB C 38 34.799 35.606 -0.807 1
1 374 . 14 1 1 A 38 38 LYS C C 38 175.533 175.196 0.337 1
1 379 . 14 1 1 A 39 39 THR N N 39 114.730 116.211 -1.481 1
1 380 . 14 1 1 A 39 39 THR H H 39 8.158 8.513 -0.355 1
1 381 . 14 1 1 A 39 39 THR CA C 39 63.302 61.943 1.359 1
1 382 . 14 1 1 A 39 39 THR HA H 39 4.138 4.226 -0.088 1
1 383 . 14 1 1 A 39 39 THR CB C 39 69.652 69.629 0.023 1
1 389 . 14 1 1 A 39 39 THR C C 39 174.281 174.094 0.187 1
1 390 . 14 1 1 A 40 40 ALA N N 40 129.891 125.878 4.013 1
1 391 . 14 1 1 A 40 40 ALA H H 40 8.750 7.987 0.763 1
1 392 . 14 1 1 A 40 40 ALA CA C 40 50.399 51.400 -1.001 1
1 393 . 14 1 1 A 40 40 ALA HA H 40 4.702 4.980 -0.278 1
1 394 . 14 1 1 A 40 40 ALA CB C 40 20.495 20.671 -0.176 1
1 398 . 14 1 1 A 40 40 ALA C C 40 176.039 176.035 0.004 1
1 399 . 14 1 1 A 41 41 THR N N 41 112.902 118.752 -5.850 1
1 400 . 14 1 1 A 41 41 THR H H 41 8.536 8.966 -0.430 1
1 401 . 14 1 1 A 41 41 THR CA C 41 59.688 61.506 -1.818 1
1 402 . 14 1 1 A 41 41 THR HA H 41 5.779 5.232 0.547 1
1 403 . 14 1 1 A 41 41 THR CB C 41 72.348 70.877 1.471 1
1 409 . 14 1 1 A 41 41 THR C C 41 173.286 173.996 -0.710 1
1 410 . 14 1 1 A 42 42 PHE N N 42 119.525 121.192 -1.667 1
1 411 . 14 1 1 A 42 42 PHE H H 42 8.825 7.741 1.084 1
1 412 . 14 1 1 A 42 42 PHE CA C 42 57.031 54.953 2.078 1
1 413 . 14 1 1 A 42 42 PHE HA H 42 5.013 5.445 -0.432 1
1 414 . 14 1 1 A 42 42 PHE CB C 42 40.155 41.796 -1.641 1
1 426 . 14 1 1 A 42 42 PHE C C 42 171.282 173.506 -2.224 1
1 428 . 14 1 1 A 43 43 THR N N 43 117.427 114.549 2.878 1
1 429 . 14 1 1 A 43 43 THR H H 43 9.210 8.388 0.822 1
1 430 . 14 1 1 A 43 43 THR CA C 43 62.250 61.156 1.094 1
1 431 . 14 1 1 A 43 43 THR HA H 43 4.987 4.874 0.113 1
1 432 . 14 1 1 A 43 43 THR CB C 43 71.510 70.196 1.314 1
1 438 . 14 1 1 A 43 43 THR C C 43 173.061 173.375 -0.314 1
1 439 . 14 1 1 A 44 44 ILE N N 44 123.638 128.372 -4.734 1
1 440 . 14 1 1 A 44 44 ILE H H 44 8.859 8.968 -0.109 1
1 441 . 14 1 1 A 44 44 ILE CA C 44 59.843 60.091 -0.248 1
1 442 . 14 1 1 A 44 44 ILE HA H 44 4.824 4.957 -0.133 1
1 443 . 14 1 1 A 44 44 ILE CB C 44 40.866 39.825 1.041 1
1 455 . 14 1 1 A 44 44 ILE C C 44 174.707 175.302 -0.595 1
1 457 . 14 1 1 A 45 45 VAL N N 45 128.904 128.306 0.598 1
1 458 . 14 1 1 A 45 45 VAL H H 45 9.299 9.005 0.294 1
1 459 . 14 1 1 A 45 45 VAL CA C 45 62.119 62.565 -0.446 1
1 460 . 14 1 1 A 45 45 VAL HA H 45 4.492 4.527 -0.035 1
1 461 . 14 1 1 A 45 45 VAL CB C 45 32.683 32.276 0.407 1
1 471 . 14 1 1 A 45 45 VAL C C 45 175.606 175.841 -0.235 1
1 472 . 14 1 1 A 46 46 THR N N 46 117.412 119.254 -1.842 1
1 473 . 14 1 1 A 46 46 THR H H 46 8.434 8.732 -0.298 1
1 474 . 14 1 1 A 46 46 THR CA C 46 60.650 61.555 -0.905 1
1 475 . 14 1 1 A 46 46 THR HA H 46 4.505 4.828 -0.323 1
1 476 . 14 1 1 A 46 46 THR CB C 46 69.432 71.736 -2.304 1
1 482 . 14 1 1 A 46 46 THR C C 46 174.882 172.283 2.599 1
1 483 . 14 1 1 A 47 47 GLU N N 47 122.657 126.115 -3.458 1
1 484 . 14 1 1 A 47 47 GLU H H 47 8.052 8.749 -0.697 1
1 485 . 14 1 1 A 47 47 GLU CA C 47 57.419 54.805 2.614 1
1 486 . 14 1 1 A 47 47 GLU HA H 47 4.231 4.698 -0.467 1
1 487 . 14 1 1 A 47 47 GLU CB C 47 30.281 32.050 -1.769 1
1 491 . 14 1 1 A 47 47 GLU C C 47 175.887 176.351 -0.464 1
1 494 . 14 1 1 A 48 48 ASP N N 48 120.269 124.056 -3.787 1
1 495 . 14 1 1 A 48 48 ASP H H 48 8.536 9.287 -0.751 1
1 496 . 14 1 1 A 48 48 ASP CA C 48 54.396 54.938 -0.542 1
1 497 . 14 1 1 A 48 48 ASP HA H 48 4.638 4.427 0.211 1
1 498 . 14 1 1 A 48 48 ASP CB C 48 40.979 39.678 1.301 1
1 500 . 14 1 1 A 48 48 ASP C C 48 175.709 176.397 -0.688 1
1 502 . 14 1 1 A 49 49 ALA N N 49 122.506 120.964 1.542 1
1 503 . 14 1 1 A 49 49 ALA H H 49 8.109 7.915 0.194 1
1 504 . 14 1 1 A 49 49 ALA CA C 49 52.774 54.826 -2.052 1
1 505 . 14 1 1 A 49 49 ALA HA H 49 4.195 3.981 0.214 1
1 506 . 14 1 1 A 49 49 ALA CB C 49 19.343 19.266 0.077 1
1 510 . 14 1 1 A 49 49 ALA C C 49 178.316 177.503 0.813 1
1 511 . 14 1 1 A 50 50 GLY N N 50 107.563 102.857 4.706 1
1 512 . 14 1 1 A 50 50 GLY H H 50 8.269 7.741 0.528 1
1 513 . 14 1 1 A 50 50 GLY CA C 50 45.288 45.697 -0.409 1
1 514 . 14 1 1 A 50 50 GLY HA3 H 50 3.993 4.197 -0.204 1
1 515 . 14 1 1 A 50 50 GLY C C 50 174.421 172.080 2.341 1
1 516 . 14 1 1 A 50 50 GLY HA2 H 50 3.993 4.061 -0.068 1
1 517 . 14 1 1 A 51 51 GLU N N 51 121.358 121.992 -0.634 1
1 518 . 14 1 1 A 51 51 GLU H H 51 8.519 8.789 -0.270 1
1 519 . 14 1 1 A 51 51 GLU CA C 51 56.890 54.888 2.002 1
1 520 . 14 1 1 A 51 51 GLU HA H 51 4.309 4.678 -0.369 1
1 521 . 14 1 1 A 51 51 GLU CB C 51 30.204 30.698 -0.494 1
1 525 . 14 1 1 A 51 51 GLU C C 51 177.003 175.934 1.069 1
1 528 . 14 1 1 A 52 52 GLY N N 52 109.575 115.128 -5.553 1
1 529 . 14 1 1 A 52 52 GLY H H 52 8.349 8.749 -0.400 1
1 530 . 14 1 1 A 52 52 GLY CA C 52 45.571 47.082 -1.511 1
1 531 . 14 1 1 A 52 52 GLY HA3 H 52 3.895 3.878 0.017 1
1 532 . 14 1 1 A 52 52 GLY C C 52 173.666 175.493 -1.827 1
1 533 . 14 1 1 A 52 52 GLY HA2 H 52 3.810 3.857 -0.047 1
1 534 . 14 1 1 A 53 53 GLY N N 53 106.657 106.722 -0.065 1
1 535 . 14 1 1 A 53 53 GLY H H 53 7.893 8.007 -0.114 1
1 536 . 14 1 1 A 53 53 GLY CA C 53 45.199 45.528 -0.329 1
1 537 . 14 1 1 A 53 53 GLY HA3 H 53 3.613 4.110 -0.497 1
1 538 . 14 1 1 A 53 53 GLY C C 53 173.414 173.315 0.099 1
1 539 . 14 1 1 A 53 53 GLY HA2 H 53 4.036 4.084 -0.048 1
1 540 . 14 1 1 A 54 54 LEU N N 54 124.121 122.935 1.186 1
1 541 . 14 1 1 A 54 54 LEU H H 54 8.241 7.685 0.556 1
1 542 . 14 1 1 A 54 54 LEU CA C 54 54.528 53.509 1.019 1
1 543 . 14 1 1 A 54 54 LEU HA H 54 5.056 4.703 0.353 1
1 544 . 14 1 1 A 54 54 LEU CB C 54 44.325 43.432 0.893 1
1 556 . 14 1 1 A 54 54 LEU C C 54 176.080 174.277 1.803 1
1 558 . 14 1 1 A 55 55 ASP N N 55 126.024 127.235 -1.211 1
1 559 . 14 1 1 A 55 55 ASP H H 55 8.981 9.071 -0.090 1
1 560 . 14 1 1 A 55 55 ASP CA C 55 54.095 53.746 0.349 1
1 561 . 14 1 1 A 55 55 ASP HA H 55 4.879 4.936 -0.057 1
1 562 . 14 1 1 A 55 55 ASP CB C 55 44.582 42.243 2.339 1
1 564 . 14 1 1 A 55 55 ASP C C 55 173.601 174.915 -1.314 1
1 566 . 14 1 1 A 56 56 LEU N N 56 125.098 126.978 -1.880 1
1 567 . 14 1 1 A 56 56 LEU H H 56 8.300 9.001 -0.701 1
1 568 . 14 1 1 A 56 56 LEU CA C 56 53.221 53.393 -0.172 1
1 569 . 14 1 1 A 56 56 LEU HA H 56 5.422 5.352 0.070 1
1 570 . 14 1 1 A 56 56 LEU CB C 56 46.028 45.954 0.074 1
1 582 . 14 1 1 A 56 56 LEU C C 56 175.700 174.889 0.811 1
1 584 . 14 1 1 A 57 57 ALA N N 57 125.664 126.540 -0.876 1
1 585 . 14 1 1 A 57 57 ALA H H 57 8.840 8.349 0.491 1
1 586 . 14 1 1 A 57 57 ALA CA C 57 51.851 51.476 0.375 1
1 587 . 14 1 1 A 57 57 ALA HA H 57 4.600 5.000 -0.400 1
1 588 . 14 1 1 A 57 57 ALA CB C 57 22.862 23.300 -0.438 1
1 592 . 14 1 1 A 57 57 ALA C C 57 174.504 175.473 -0.969 1
1 593 . 14 1 1 A 58 58 ILE N N 58 119.429 120.418 -0.989 1
1 594 . 14 1 1 A 58 58 ILE H H 58 8.617 8.601 0.016 1
1 595 . 14 1 1 A 58 58 ILE CA C 58 60.143 59.896 0.247 1
1 596 . 14 1 1 A 58 58 ILE HA H 58 5.272 4.898 0.374 1
1 597 . 14 1 1 A 58 58 ILE CB C 58 41.068 41.435 -0.367 1
1 609 . 14 1 1 A 58 58 ILE C C 58 175.328 174.816 0.512 1
1 611 . 14 1 1 A 59 59 GLU N N 59 128.665 124.081 4.584 1
1 612 . 14 1 1 A 59 59 GLU H H 59 9.315 8.833 0.482 1
1 613 . 14 1 1 A 59 59 GLU CA C 59 54.166 54.795 -0.629 1
1 614 . 14 1 1 A 59 59 GLU HA H 59 4.920 5.197 -0.277 1
1 615 . 14 1 1 A 59 59 GLU CB C 59 32.698 33.455 -0.757 1
1 619 . 14 1 1 A 59 59 GLU C C 59 175.108 175.623 -0.515 1
1 622 . 14 1 1 A 60 60 GLY N N 60 110.929 108.772 2.157 1
1 623 . 14 1 1 A 60 60 GLY H H 60 8.427 8.304 0.123 1
1 624 . 14 1 1 A 60 60 GLY CA C 60 45.608 44.983 0.625 1
1 625 . 14 1 1 A 60 60 GLY HA3 H 60 3.927 4.083 -0.156 1
1 626 . 14 1 1 A 60 60 GLY C C 60 171.379 173.923 -2.544 1
1 627 . 14 1 1 A 60 60 GLY HA2 H 60 3.531 3.819 -0.288 1
1 628 . 14 1 1 A 61 61 PRO CA C 61 64.103 63.901 0.202 1
1 629 . 14 1 1 A 61 61 PRO HA H 61 4.270 4.409 -0.139 1
1 630 . 14 1 1 A 61 61 PRO CB C 61 32.206 31.931 0.275 1
1 636 . 14 1 1 A 61 61 PRO C C 61 176.075 175.954 0.121 1
1 640 . 14 1 1 A 62 62 SER N N 62 108.474 111.791 -3.317 1
1 641 . 14 1 1 A 62 62 SER H H 62 7.099 7.475 -0.376 1
1 642 . 14 1 1 A 62 62 SER CA C 62 56.398 57.019 -0.621 1
1 643 . 14 1 1 A 62 62 SER HA H 62 4.655 4.708 -0.053 1
1 644 . 14 1 1 A 62 62 SER CB C 62 67.457 65.585 1.872 1
1 646 . 14 1 1 A 62 62 SER C C 62 172.805 172.170 0.635 1
1 648 . 14 1 1 A 63 63 LYS N N 63 122.679 124.992 -2.313 1
1 649 . 14 1 1 A 63 63 LYS H H 63 8.653 8.356 0.297 1
1 650 . 14 1 1 A 63 63 LYS CA C 63 55.822 56.240 -0.418 1
1 651 . 14 1 1 A 63 63 LYS HA H 63 4.449 4.613 -0.164 1
1 652 . 14 1 1 A 63 63 LYS CB C 63 31.384 33.477 -2.093 1
1 660 . 14 1 1 A 63 63 LYS C C 63 175.601 175.015 0.586 1
1 665 . 14 1 1 A 64 64 ALA N N 64 130.710 129.671 1.039 1
1 666 . 14 1 1 A 64 64 ALA H H 64 8.690 8.868 -0.178 1
1 667 . 14 1 1 A 64 64 ALA CA C 64 51.425 50.374 1.051 1
1 668 . 14 1 1 A 64 64 ALA HA H 64 4.578 5.207 -0.629 1
1 669 . 14 1 1 A 64 64 ALA CB C 64 19.803 21.522 -1.719 1
1 673 . 14 1 1 A 64 64 ALA C C 64 176.395 176.853 -0.458 1
1 674 . 14 1 1 A 65 65 GLU N N 65 123.534 122.702 0.832 1
1 675 . 14 1 1 A 65 65 GLU H H 65 8.397 8.812 -0.415 1
1 676 . 14 1 1 A 65 65 GLU CA C 65 56.854 57.590 -0.736 1
1 677 . 14 1 1 A 65 65 GLU HA H 65 4.278 4.398 -0.120 1
1 678 . 14 1 1 A 65 65 GLU CB C 65 30.346 30.653 -0.307 1
1 682 . 14 1 1 A 65 65 GLU C C 65 176.381 176.074 0.307 1
1 685 . 14 1 1 A 66 66 ILE N N 66 124.380 120.831 3.549 1
1 686 . 14 1 1 A 66 66 ILE H H 66 8.541 8.571 -0.030 1
1 687 . 14 1 1 A 66 66 ILE CA C 66 60.568 60.012 0.556 1
1 688 . 14 1 1 A 66 66 ILE HA H 66 4.865 4.952 -0.087 1
1 689 . 14 1 1 A 66 66 ILE CB C 66 41.804 42.177 -0.373 1
1 701 . 14 1 1 A 66 66 ILE C C 66 175.421 174.964 0.457 1
1 703 . 14 1 1 A 67 67 SER N N 67 122.057 124.604 -2.547 1
1 704 . 14 1 1 A 67 67 SER H H 67 9.035 8.983 0.052 1
1 705 . 14 1 1 A 67 67 SER CA C 67 56.908 56.914 -0.006 1
1 706 . 14 1 1 A 67 67 SER HA H 67 4.729 5.022 -0.293 1
1 707 . 14 1 1 A 67 67 SER CB C 67 64.980 64.086 0.894 1
1 709 . 14 1 1 A 67 67 SER C C 67 172.294 172.972 -0.678 1
1 711 . 14 1 1 A 68 68 CYS N N 68 124.699 122.337 2.362 1
1 712 . 14 1 1 A 68 68 CYS H H 68 8.732 8.344 0.388 1
1 713 . 14 1 1 A 68 68 CYS CA C 68 57.310 59.270 -1.960 1
1 714 . 14 1 1 A 68 68 CYS HA H 68 5.038 4.618 0.420 1
1 715 . 14 1 1 A 68 68 CYS CB C 68 28.380 28.205 0.175 1
1 717 . 14 1 1 A 68 68 CYS C C 68 173.135 174.594 -1.459 1
1 719 . 14 1 1 A 69 69 ILE N N 69 128.680 123.416 5.264 1
1 720 . 14 1 1 A 69 69 ILE H H 69 8.757 8.213 0.544 1
1 721 . 14 1 1 A 69 69 ILE CA C 69 59.153 60.437 -1.284 1
1 722 . 14 1 1 A 69 69 ILE HA H 69 4.350 4.598 -0.248 1
1 723 . 14 1 1 A 69 69 ILE CB C 69 40.750 41.219 -0.469 1
1 735 . 14 1 1 A 69 69 ILE C C 69 174.363 174.330 0.033 1
1 737 . 14 1 1 A 70 70 ASP N N 70 126.290 129.799 -3.509 1
1 738 . 14 1 1 A 70 70 ASP H H 70 8.596 8.958 -0.362 1
1 739 . 14 1 1 A 70 70 ASP CA C 70 53.671 54.232 -0.561 1
1 740 . 14 1 1 A 70 70 ASP HA H 70 4.892 4.749 0.143 1
1 741 . 14 1 1 A 70 70 ASP CB C 70 41.069 41.834 -0.765 1
1 743 . 14 1 1 A 70 70 ASP C C 70 176.812 175.835 0.977 1
1 745 . 14 1 1 A 71 71 ASN N N 71 125.163 122.647 2.516 1
1 746 . 14 1 1 A 71 71 ASN H H 71 8.745 8.318 0.427 1
1 747 . 14 1 1 A 71 71 ASN CA C 71 54.626 52.091 2.535 1
1 748 . 14 1 1 A 71 71 ASN HA H 71 4.647 5.055 -0.408 1
1 749 . 14 1 1 A 71 71 ASN CB C 71 38.688 41.667 -2.979 1
1 754 . 14 1 1 A 71 71 ASN C C 71 175.657 175.261 0.396 1
1 756 . 14 1 1 A 72 72 LYS N N 72 114.425 121.790 -7.365 1
1 757 . 14 1 1 A 72 72 LYS H H 72 9.407 8.962 0.445 1
1 758 . 14 1 1 A 72 72 LYS CA C 72 57.535 57.165 0.370 1
1 759 . 14 1 1 A 72 72 LYS HA H 72 4.028 4.359 -0.331 1
1 760 . 14 1 1 A 72 72 LYS CB C 72 28.393 32.198 -3.805 1
1 768 . 14 1 1 A 72 72 LYS C C 72 175.123 176.984 -1.861 1
1 773 . 14 1 1 A 73 73 ASP N N 73 117.581 117.755 -0.174 1
1 774 . 14 1 1 A 73 73 ASP H H 73 7.881 7.833 0.048 1
1 775 . 14 1 1 A 73 73 ASP CA C 73 52.274 54.674 -2.400 1
1 776 . 14 1 1 A 73 73 ASP HA H 73 4.769 4.582 0.187 1
1 777 . 14 1 1 A 73 73 ASP CB C 73 41.210 41.946 -0.736 1
1 779 . 14 1 1 A 73 73 ASP C C 73 177.197 176.205 0.992 1
1 781 . 14 1 1 A 74 74 GLY N N 74 109.385 106.057 3.328 1
1 782 . 14 1 1 A 74 74 GLY H H 74 8.781 7.878 0.903 1
1 783 . 14 1 1 A 74 74 GLY CA C 74 45.179 45.064 0.115 1
1 784 . 14 1 1 A 74 74 GLY HA3 H 74 3.673 4.056 -0.383 1
1 785 . 14 1 1 A 74 74 GLY C C 74 173.671 173.652 0.019 1
1 786 . 14 1 1 A 74 74 GLY HA2 H 74 4.469 4.044 0.425 1
1 787 . 14 1 1 A 75 75 THR N N 75 110.220 109.634 0.586 1
1 788 . 14 1 1 A 75 75 THR H H 75 8.179 7.549 0.630 1
1 789 . 14 1 1 A 75 75 THR CA C 75 59.843 59.484 0.359 1
1 790 . 14 1 1 A 75 75 THR HA H 75 5.678 5.042 0.636 1
1 791 . 14 1 1 A 75 75 THR CB C 75 73.810 72.684 1.126 1
1 797 . 14 1 1 A 75 75 THR C C 75 173.912 172.670 1.242 1
1 798 . 14 1 1 A 76 76 CYS N N 76 117.252 121.482 -4.230 1
1 799 . 14 1 1 A 76 76 CYS H H 76 9.295 8.682 0.613 1
1 800 . 14 1 1 A 76 76 CYS CA C 76 56.716 56.714 0.002 1
1 801 . 14 1 1 A 76 76 CYS HA H 76 5.517 5.260 0.257 1
1 802 . 14 1 1 A 76 76 CYS CB C 76 31.176 30.597 0.579 1
1 804 . 14 1 1 A 76 76 CYS C C 76 174.083 172.989 1.094 1
1 806 . 14 1 1 A 77 77 THR N N 77 121.477 122.289 -0.812 1
1 807 . 14 1 1 A 77 77 THR H H 77 9.137 8.916 0.221 1
1 808 . 14 1 1 A 77 77 THR CA C 77 62.565 61.847 0.718 1
1 809 . 14 1 1 A 77 77 THR HA H 77 4.592 4.638 -0.046 1
1 810 . 14 1 1 A 77 77 THR CB C 77 70.447 69.093 1.354 1
1 816 . 14 1 1 A 77 77 THR C C 77 173.469 173.492 -0.023 1
1 817 . 14 1 1 A 78 78 VAL N N 78 131.586 127.625 3.961 1
1 818 . 14 1 1 A 78 78 VAL H H 78 9.099 8.686 0.413 1
1 819 . 14 1 1 A 78 78 VAL CA C 78 60.604 61.053 -0.449 1
1 820 . 14 1 1 A 78 78 VAL HA H 78 4.672 4.499 0.173 1
1 821 . 14 1 1 A 78 78 VAL CB C 78 32.061 31.822 0.239 1
1 831 . 14 1 1 A 78 78 VAL C C 78 174.618 174.834 -0.216 1
1 832 . 14 1 1 A 79 79 THR N N 79 120.071 123.480 -3.409 1
1 833 . 14 1 1 A 79 79 THR H H 79 8.782 8.765 0.017 1
1 834 . 14 1 1 A 79 79 THR CA C 79 59.685 62.102 -2.417 1
1 835 . 14 1 1 A 79 79 THR HA H 79 5.424 5.071 0.353 1
1 836 . 14 1 1 A 79 79 THR CB C 79 71.374 70.612 0.762 1
1 842 . 14 1 1 A 79 79 THR C C 79 173.250 173.598 -0.348 1
1 843 . 14 1 1 A 80 80 TYR N N 80 120.212 121.616 -1.404 1
1 844 . 14 1 1 A 80 80 TYR H H 80 9.132 8.411 0.721 1
1 845 . 14 1 1 A 80 80 TYR CA C 80 55.554 55.900 -0.346 1
1 846 . 14 1 1 A 80 80 TYR HA H 80 5.686 5.554 0.132 1
1 847 . 14 1 1 A 80 80 TYR CB C 80 42.143 42.101 0.042 1
1 857 . 14 1 1 A 80 80 TYR C C 80 172.856 172.610 0.246 1
1 859 . 14 1 1 A 81 81 LEU N N 81 121.355 123.025 -1.670 1
1 860 . 14 1 1 A 81 81 LEU H H 81 7.729 8.804 -1.075 1
1 861 . 14 1 1 A 81 81 LEU CA C 81 50.912 50.928 -0.016 1
1 862 . 14 1 1 A 81 81 LEU HA H 81 4.991 4.495 0.496 1
1 863 . 14 1 1 A 81 81 LEU CB C 81 43.636 45.133 -1.497 1
1 875 . 14 1 1 A 81 81 LEU C C 81 172.982 174.772 -1.790 1
1 877 . 14 1 1 A 82 82 PRO CA C 82 61.629 62.612 -0.983 1
1 878 . 14 1 1 A 82 82 PRO HA H 82 4.587 4.689 -0.102 1
1 879 . 14 1 1 A 82 82 PRO CB C 82 32.091 32.629 -0.538 1
1 885 . 14 1 1 A 82 82 PRO C C 82 177.683 176.915 0.768 1
1 889 . 14 1 1 A 83 83 THR N N 83 112.637 113.600 -0.963 1
1 890 . 14 1 1 A 83 83 THR H H 83 8.438 8.450 -0.012 1
1 891 . 14 1 1 A 83 83 THR CA C 83 62.207 63.054 -0.847 1
1 892 . 14 1 1 A 83 83 THR HA H 83 4.305 4.451 -0.146 1
1 893 . 14 1 1 A 83 83 THR CB C 83 69.155 69.833 -0.678 1
1 899 . 14 1 1 A 83 83 THR C C 83 173.582 174.495 -0.913 1
1 900 . 14 1 1 A 84 84 LEU N N 84 118.186 119.190 -1.004 1
1 901 . 14 1 1 A 84 84 LEU H H 84 6.839 7.567 -0.728 1
1 902 . 14 1 1 A 84 84 LEU CA C 84 51.513 51.304 0.209 1
1 903 . 14 1 1 A 84 84 LEU HA H 84 4.976 4.912 0.064 1
1 904 . 14 1 1 A 84 84 LEU CB C 84 45.838 45.632 0.206 1
1 916 . 14 1 1 A 84 84 LEU C C 84 175.119 174.415 0.704 1
1 918 . 14 1 1 A 85 85 PRO CA C 85 62.660 63.452 -0.792 1
1 919 . 14 1 1 A 85 85 PRO HA H 85 4.347 4.791 -0.444 1
1 920 . 14 1 1 A 85 85 PRO CB C 85 32.801 31.852 0.949 1
1 926 . 14 1 1 A 85 85 PRO C C 85 174.117 176.082 -1.965 1
1 930 . 14 1 1 A 86 86 GLY N N 86 106.704 108.157 -1.453 1
1 931 . 14 1 1 A 86 86 GLY H H 86 9.065 8.097 0.968 1
1 932 . 14 1 1 A 86 86 GLY CA C 86 44.520 45.204 -0.684 1
1 933 . 14 1 1 A 86 86 GLY HA3 H 86 3.838 4.172 -0.334 1
1 934 . 14 1 1 A 86 86 GLY C C 86 171.468 172.708 -1.240 1
1 935 . 14 1 1 A 86 86 GLY HA2 H 86 4.408 4.096 0.312 1
1 936 . 14 1 1 A 87 87 ASP N N 87 120.573 119.261 1.312 1
1 937 . 14 1 1 A 87 87 ASP H H 87 8.275 8.419 -0.144 1
1 938 . 14 1 1 A 87 87 ASP CA C 87 53.500 54.259 -0.759 1
1 939 . 14 1 1 A 87 87 ASP HA H 87 5.498 4.700 0.798 1
1 940 . 14 1 1 A 87 87 ASP CB C 87 40.877 40.555 0.322 1
1 942 . 14 1 1 A 87 87 ASP C C 87 176.069 175.454 0.615 1
1 944 . 14 1 1 A 88 88 TYR N N 88 124.115 124.182 -0.067 1
1 945 . 14 1 1 A 88 88 TYR H H 88 9.510 8.967 0.543 1
1 946 . 14 1 1 A 88 88 TYR CA C 88 56.667 57.059 -0.392 1
1 947 . 14 1 1 A 88 88 TYR HA H 88 4.983 5.250 -0.267 1
1 948 . 14 1 1 A 88 88 TYR CB C 88 39.633 39.292 0.341 1
1 958 . 14 1 1 A 88 88 TYR C C 88 174.533 174.734 -0.201 1
1 960 . 14 1 1 A 89 89 SER N N 89 118.331 119.612 -1.281 1
1 961 . 14 1 1 A 89 89 SER H H 89 9.200 8.774 0.426 1
1 962 . 14 1 1 A 89 89 SER CA C 89 56.737 57.116 -0.379 1
1 963 . 14 1 1 A 89 89 SER HA H 89 5.346 4.873 0.473 1
1 964 . 14 1 1 A 89 89 SER CB C 89 64.421 63.541 0.880 1
1 966 . 14 1 1 A 89 89 SER C C 89 173.462 173.308 0.154 1
1 968 . 14 1 1 A 90 90 ILE N N 90 127.805 127.513 0.292 1
1 969 . 14 1 1 A 90 90 ILE H H 90 9.536 8.542 0.994 1
1 970 . 14 1 1 A 90 90 ILE CA C 90 61.209 60.843 0.366 1
1 971 . 14 1 1 A 90 90 ILE HA H 90 4.505 4.559 -0.054 1
1 972 . 14 1 1 A 90 90 ILE CB C 90 39.225 38.272 0.953 1
1 984 . 14 1 1 A 90 90 ILE C C 90 174.259 175.444 -1.185 1
1 986 . 14 1 1 A 91 91 LEU N N 91 129.968 127.404 2.564 1
1 987 . 14 1 1 A 91 91 LEU H H 91 9.354 9.111 0.243 1
1 988 . 14 1 1 A 91 91 LEU CA C 91 55.510 53.704 1.806 1
1 989 . 14 1 1 A 91 91 LEU HA H 91 4.774 5.173 -0.399 1
1 990 . 14 1 1 A 91 91 LEU CB C 91 42.674 44.134 -1.460 1
1 1002 . 14 1 1 A 91 91 LEU C C 91 175.517 175.415 0.102 1
1 1004 . 14 1 1 A 92 92 VAL N N 92 124.859 126.380 -1.521 1
1 1005 . 14 1 1 A 92 92 VAL H H 92 9.431 9.194 0.237 1
1 1006 . 14 1 1 A 92 92 VAL CA C 92 61.488 60.930 0.558 1
1 1007 . 14 1 1 A 92 92 VAL HA H 92 4.626 5.025 -0.399 1
1 1008 . 14 1 1 A 92 92 VAL CB C 92 33.437 34.179 -0.742 1
1 1018 . 14 1 1 A 92 92 VAL C C 92 173.589 174.952 -1.363 1
1 1019 . 14 1 1 A 93 93 LYS N N 93 123.909 126.331 -2.422 1
1 1020 . 14 1 1 A 93 93 LYS H H 93 8.660 8.990 -0.330 1
1 1021 . 14 1 1 A 93 93 LYS CA C 93 53.953 54.206 -0.253 1
1 1022 . 14 1 1 A 93 93 LYS HA H 93 5.017 4.936 0.081 1
1 1023 . 14 1 1 A 93 93 LYS CB C 93 36.475 35.712 0.763 1
1 1031 . 14 1 1 A 93 93 LYS C C 93 174.746 174.659 0.087 1
1 1036 . 14 1 1 A 94 94 TYR N N 94 120.499 123.197 -2.698 1
1 1037 . 14 1 1 A 94 94 TYR H H 94 8.821 8.916 -0.095 1
1 1038 . 14 1 1 A 94 94 TYR CA C 94 56.438 57.530 -1.092 1
1 1039 . 14 1 1 A 94 94 TYR HA H 94 5.161 5.031 0.130 1
1 1040 . 14 1 1 A 94 94 TYR CB C 94 41.931 41.800 0.131 1
1 1050 . 14 1 1 A 94 94 TYR C C 94 176.635 175.047 1.588 1
1 1052 . 14 1 1 A 95 95 ASN N N 95 128.155 125.955 2.200 1
1 1053 . 14 1 1 A 95 95 ASN H H 95 8.872 9.538 -0.666 1
1 1054 . 14 1 1 A 95 95 ASN CA C 95 54.360 53.989 0.371 1
1 1055 . 14 1 1 A 95 95 ASN HA H 95 4.215 4.507 -0.292 1
1 1056 . 14 1 1 A 95 95 ASN CB C 95 36.735 36.264 0.471 1
1 1061 . 14 1 1 A 95 95 ASN C C 95 174.592 174.007 0.585 1
1 1063 . 14 1 1 A 96 96 ASP N N 96 110.440 112.246 -1.806 1
1 1064 . 14 1 1 A 96 96 ASP H H 96 9.304 8.585 0.719 1
1 1065 . 14 1 1 A 96 96 ASP CA C 96 55.920 55.487 0.433 1
1 1066 . 14 1 1 A 96 96 ASP HA H 96 4.030 4.190 -0.160 1
1 1067 . 14 1 1 A 96 96 ASP CB C 96 40.704 38.995 1.709 1
1 1069 . 14 1 1 A 96 96 ASP C C 96 174.657 174.508 0.149 1
1 1071 . 14 1 1 A 97 97 LYS N N 97 118.806 117.242 1.564 1
1 1072 . 14 1 1 A 97 97 LYS H H 97 7.482 7.639 -0.157 1
1 1073 . 14 1 1 A 97 97 LYS CA C 97 54.378 55.069 -0.691 1
1 1074 . 14 1 1 A 97 97 LYS HA H 97 4.715 4.747 -0.032 1
1 1075 . 14 1 1 A 97 97 LYS CB C 97 35.127 35.044 0.083 1
1 1083 . 14 1 1 A 97 97 LYS C C 97 176.499 175.817 0.682 1
1 1088 . 14 1 1 A 98 98 HIS N N 98 124.063 123.398 0.665 1
1 1089 . 14 1 1 A 98 98 HIS H H 98 8.795 8.785 0.010 1
1 1090 . 14 1 1 A 98 98 HIS CA C 98 58.870 57.121 1.749 1
1 1091 . 14 1 1 A 98 98 HIS HA H 98 4.496 4.553 -0.057 1
1 1092 . 14 1 1 A 98 98 HIS CB C 98 32.178 30.609 1.569 1
1 1098 . 14 1 1 A 98 98 HIS C C 98 177.720 175.563 2.157 1
1 1100 . 14 1 1 A 99 99 ILE N N 99 120.049 120.309 -0.260 1
1 1101 . 14 1 1 A 99 99 ILE H H 99 8.380 8.173 0.207 1
1 1102 . 14 1 1 A 99 99 ILE CA C 99 60.674 59.572 1.102 1
1 1103 . 14 1 1 A 99 99 ILE HA H 99 4.696 4.528 0.168 1
1 1104 . 14 1 1 A 99 99 ILE CB C 99 35.539 38.044 -2.505 1
1 1116 . 14 1 1 A 99 99 ILE C C 99 173.419 174.690 -1.271 1
1 1118 . 14 1 1 A 100 100 PRO CA C 100 65.343 63.318 2.025 1
1 1119 . 14 1 1 A 100 100 PRO HA H 100 4.255 4.397 -0.142 1
1 1120 . 14 1 1 A 100 100 PRO CB C 100 31.128 30.894 0.234 1
1 1126 . 14 1 1 A 100 100 PRO C C 100 176.734 177.410 -0.676 1
1 1130 . 14 1 1 A 101 101 GLY N N 101 113.906 113.209 0.697 1
1 1131 . 14 1 1 A 101 101 GLY H H 101 8.167 8.299 -0.132 1
1 1132 . 14 1 1 A 101 101 GLY CA C 101 44.668 44.887 -0.219 1
1 1133 . 14 1 1 A 101 101 GLY HA3 H 101 3.120 3.960 -0.840 1
1 1134 . 14 1 1 A 101 101 GLY C C 101 171.985 173.720 -1.735 1
1 1135 . 14 1 1 A 101 101 GLY HA2 H 101 4.140 3.888 0.252 1
1 1136 . 14 1 1 A 102 102 SER N N 102 112.418 117.269 -4.851 1
1 1137 . 14 1 1 A 102 102 SER H H 102 7.641 7.359 0.282 1
1 1138 . 14 1 1 A 102 102 SER CA C 102 54.770 55.716 -0.946 1
1 1139 . 14 1 1 A 102 102 SER HA H 102 4.107 4.181 -0.074 1
1 1140 . 14 1 1 A 102 102 SER CB C 102 62.454 64.083 -1.629 1
1 1142 . 14 1 1 A 102 102 SER C C 102 174.682 172.069 2.613 1
1 1144 . 14 1 1 A 103 103 PRO CA C 103 62.301 62.418 -0.117 1
1 1145 . 14 1 1 A 103 103 PRO HA H 103 5.363 4.726 0.637 1
1 1146 . 14 1 1 A 103 103 PRO CB C 103 33.964 32.445 1.519 1
1 1152 . 14 1 1 A 103 103 PRO C C 103 176.438 176.448 -0.010 1
1 1156 . 14 1 1 A 104 104 PHE N N 104 126.067 120.358 5.709 1
1 1157 . 14 1 1 A 104 104 PHE H H 104 9.449 8.343 1.106 1
1 1158 . 14 1 1 A 104 104 PHE CA C 104 57.102 57.683 -0.581 1
1 1159 . 14 1 1 A 104 104 PHE HA H 104 4.621 4.963 -0.342 1
1 1160 . 14 1 1 A 104 104 PHE CB C 104 40.656 40.759 -0.103 1
1 1170 . 14 1 1 A 104 104 PHE C C 104 176.313 175.689 0.624 1
1 1172 . 14 1 1 A 105 105 THR N N 105 118.402 115.878 2.524 1
1 1173 . 14 1 1 A 105 105 THR H H 105 8.842 8.895 -0.053 1
1 1174 . 14 1 1 A 105 105 THR CA C 105 62.018 61.405 0.613 1
1 1175 . 14 1 1 A 105 105 THR HA H 105 5.153 5.108 0.045 1
1 1176 . 14 1 1 A 105 105 THR CB C 105 70.095 71.859 -1.764 1
1 1182 . 14 1 1 A 105 105 THR C C 105 172.525 173.242 -0.717 1
1 1183 . 14 1 1 A 106 106 ALA N N 106 131.132 128.656 2.476 1
1 1184 . 14 1 1 A 106 106 ALA H H 106 9.192 9.065 0.127 1
1 1185 . 14 1 1 A 106 106 ALA CA C 106 50.187 50.194 -0.007 1
1 1186 . 14 1 1 A 106 106 ALA HA H 106 4.435 5.389 -0.954 1
1 1187 . 14 1 1 A 106 106 ALA CB C 106 21.021 21.473 -0.452 1
1 1191 . 14 1 1 A 106 106 ALA C C 106 176.136 175.981 0.155 1
1 1192 . 14 1 1 A 107 107 LYS N N 107 122.751 124.814 -2.063 1
1 1193 . 14 1 1 A 107 107 LYS H H 107 7.746 8.604 -0.858 1
1 1194 . 14 1 1 A 107 107 LYS CA C 107 55.652 55.803 -0.151 1
1 1195 . 14 1 1 A 107 107 LYS HA H 107 4.797 4.605 0.192 1
1 1196 . 14 1 1 A 107 107 LYS CB C 107 32.606 32.269 0.337 1
1 1204 . 14 1 1 A 107 107 LYS C C 107 174.648 174.781 -0.133 1
1 1209 . 14 1 1 A 108 108 ILE N N 108 127.629 127.346 0.283 1
1 1210 . 14 1 1 A 108 108 ILE H H 108 9.024 8.375 0.649 1
1 1211 . 14 1 1 A 108 108 ILE CA C 108 56.801 61.125 -4.324 1
1 1212 . 14 1 1 A 108 108 ILE HA H 108 4.688 5.141 -0.453 1
1 1213 . 14 1 1 A 108 108 ILE CB C 108 35.101 38.643 -3.542 1
1 1225 . 14 1 1 A 108 108 ILE C C 108 178.159 175.814 2.345 1
1 1227 . 14 1 1 A 109 109 THR N N 109 121.563 117.771 3.792 1
1 1228 . 14 1 1 A 109 109 THR H H 109 8.861 8.653 0.208 1
1 1229 . 14 1 1 A 109 109 THR CA C 109 60.745 59.702 1.043 1
1 1230 . 14 1 1 A 109 109 THR HA H 109 4.778 5.214 -0.436 1
1 1231 . 14 1 1 A 109 109 THR CB C 109 71.067 71.256 -0.189 1
1 1237 . 14 1 1 A 109 109 THR C C 109 173.421 173.507 -0.086 1
1 1238 . 14 1 1 A 110 110 ASP N N 110 119.526 121.340 -1.814 1
1 1239 . 14 1 1 A 110 110 ASP H H 110 8.631 8.677 -0.046 1
1 1240 . 14 1 1 A 110 110 ASP CA C 110 53.971 53.752 0.219 1
1 1241 . 14 1 1 A 110 110 ASP HA H 110 4.729 4.737 -0.008 1
1 1242 . 14 1 1 A 110 110 ASP CB C 110 42.087 41.321 0.766 1
1 1244 . 14 1 1 A 110 110 ASP C C 110 176.124 175.425 0.699 1
1 1246 . 14 1 1 A 111 111 ASP N N 111 122.287 123.915 -1.628 1
1 1247 . 14 1 1 A 111 111 ASP H H 111 8.638 9.065 -0.427 1
1 1248 . 14 1 1 A 111 111 ASP CA C 111 54.042 56.035 -1.993 1
1 1249 . 14 1 1 A 111 111 ASP HA H 111 4.644 4.615 0.029 1
1 1250 . 14 1 1 A 111 111 ASP CB C 111 41.218 42.012 -0.794 1
1 1252 . 14 1 1 A 111 111 ASP C C 111 176.668 175.853 0.815 1
1 1254 . 14 1 1 A 112 112 SER N N 112 117.157 113.118 4.039 1
1 1255 . 14 1 1 A 112 112 SER H H 112 8.416 8.069 0.347 1
1 1256 . 14 1 1 A 112 112 SER CA C 112 59.277 58.767 0.510 1
1 1257 . 14 1 1 A 112 112 SER HA H 112 4.348 4.211 0.137 1
1 1258 . 14 1 1 A 112 112 SER CB C 112 63.943 61.551 2.392 1
1 1260 . 14 1 1 A 112 112 SER C C 112 174.721 173.145 1.576 1
1 1262 . 14 1 1 A 113 113 ARG N N 113 122.178 120.933 1.245 1
1 1263 . 14 1 1 A 113 113 ARG H H 113 8.238 7.703 0.535 1
1 1264 . 14 1 1 A 113 113 ARG CA C 113 56.195 55.192 1.003 1
1 1265 . 14 1 1 A 113 113 ARG HA H 113 4.347 4.358 -0.011 1
1 1266 . 14 1 1 A 113 113 ARG CB C 113 30.470 28.597 1.873 1
1 1271 . 14 1 1 A 113 113 ARG C C 113 176.207 174.934 1.273 1
1 1275 . 14 1 1 A 114 114 ARG N N 114 122.696 118.114 4.582 1
1 1276 . 14 1 1 A 114 114 ARG H H 114 8.338 7.477 0.861 1
1 1277 . 14 1 1 A 114 114 ARG CA C 114 56.164 56.401 -0.237 1
1 1278 . 14 1 1 A 114 114 ARG HA H 114 4.390 4.459 -0.069 1
1 1279 . 14 1 1 A 114 114 ARG CB C 114 30.679 30.513 0.166 1
1 1285 . 14 1 1 A 114 114 ARG C C 114 175.468 175.268 0.200 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 44.699 46.199 -1.500 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.124 4.062 0.062 1
1 3 . 15 1 1 A 7 7 GLY HA2 H 7 4.124 4.061 0.063 1
1 4 . 15 1 1 A 8 8 PRO CA C 8 63.321 62.549 0.772 1
1 5 . 15 1 1 A 8 8 PRO HA H 8 4.418 4.613 -0.195 1
1 6 . 15 1 1 A 8 8 PRO CB C 8 32.104 33.140 -1.036 1
1 12 . 15 1 1 A 8 8 PRO C C 8 177.159 175.875 1.284 1
1 16 . 15 1 1 A 9 9 GLU N N 9 120.837 117.105 3.732 1
1 17 . 15 1 1 A 9 9 GLU H H 9 8.612 8.616 -0.004 1
1 18 . 15 1 1 A 9 9 GLU CA C 9 56.642 55.378 1.264 1
1 19 . 15 1 1 A 9 9 GLU HA H 9 4.282 4.766 -0.484 1
1 20 . 15 1 1 A 9 9 GLU CB C 9 30.181 32.057 -1.876 1
1 24 . 15 1 1 A 9 9 GLU C C 9 176.387 174.596 1.791 1
1 27 . 15 1 1 A 10 10 SER N N 10 117.776 114.688 3.088 1
1 28 . 15 1 1 A 10 10 SER H H 10 8.264 8.673 -0.409 1
1 29 . 15 1 1 A 10 10 SER CA C 10 56.382 56.636 -0.254 1
1 30 . 15 1 1 A 10 10 SER HA H 10 4.763 4.965 -0.202 1
1 31 . 15 1 1 A 10 10 SER CB C 10 63.575 63.430 0.145 1
1 33 . 15 1 1 A 10 10 SER C C 10 172.958 173.488 -0.530 1
1 35 . 15 1 1 A 11 11 PRO CA C 11 63.404 62.487 0.917 1
1 36 . 15 1 1 A 11 11 PRO HA H 11 4.432 4.646 -0.214 1
1 37 . 15 1 1 A 11 11 PRO CB C 11 31.958 32.848 -0.890 1
1 43 . 15 1 1 A 11 11 PRO C C 11 176.922 175.391 1.531 1
1 47 . 15 1 1 A 12 12 LEU N N 12 121.245 121.222 0.023 1
1 48 . 15 1 1 A 12 12 LEU H H 12 8.172 8.249 -0.077 1
1 49 . 15 1 1 A 12 12 LEU CA C 12 55.521 52.863 2.658 1
1 50 . 15 1 1 A 12 12 LEU HA H 12 4.236 4.748 -0.512 1
1 51 . 15 1 1 A 12 12 LEU CB C 12 42.138 44.892 -2.754 1
1 63 . 15 1 1 A 12 12 LEU C C 12 177.236 175.554 1.682 1
1 65 . 15 1 1 A 13 13 GLN N N 13 120.086 121.142 -1.056 1
1 66 . 15 1 1 A 13 13 GLN H H 13 8.098 8.279 -0.181 1
1 67 . 15 1 1 A 13 13 GLN CA C 13 55.785 56.645 -0.860 1
1 68 . 15 1 1 A 13 13 GLN HA H 13 4.220 4.204 0.016 1
1 69 . 15 1 1 A 13 13 GLN CB C 13 29.628 29.598 0.030 1
1 76 . 15 1 1 A 13 13 GLN C C 13 175.243 175.180 0.063 1
1 79 . 15 1 1 A 14 14 PHE N N 14 120.461 123.861 -3.400 1
1 80 . 15 1 1 A 14 14 PHE H H 14 8.056 8.764 -0.708 1
1 81 . 15 1 1 A 14 14 PHE CA C 14 57.739 56.921 0.818 1
1 82 . 15 1 1 A 14 14 PHE HA H 14 4.545 5.096 -0.551 1
1 83 . 15 1 1 A 14 14 PHE CB C 14 39.825 42.523 -2.698 1
1 95 . 15 1 1 A 14 14 PHE C C 14 175.022 175.641 -0.619 1
1 97 . 15 1 1 A 15 15 TYR N N 15 121.213 122.220 -1.007 1
1 98 . 15 1 1 A 15 15 TYR H H 15 8.004 9.228 -1.224 1
1 99 . 15 1 1 A 15 15 TYR CA C 15 57.756 58.752 -0.996 1
1 100 . 15 1 1 A 15 15 TYR HA H 15 4.506 4.261 0.245 1
1 101 . 15 1 1 A 15 15 TYR CB C 15 39.012 37.044 1.968 1
1 111 . 15 1 1 A 15 15 TYR C C 15 175.174 175.053 0.121 1
1 113 . 15 1 1 A 16 16 VAL N N 16 121.693 115.582 6.111 1
1 114 . 15 1 1 A 16 16 VAL H H 16 7.900 7.804 0.096 1
1 115 . 15 1 1 A 16 16 VAL CA C 16 62.248 60.525 1.723 1
1 116 . 15 1 1 A 16 16 VAL HA H 16 3.932 4.188 -0.256 1
1 117 . 15 1 1 A 16 16 VAL CB C 16 33.023 33.149 -0.126 1
1 127 . 15 1 1 A 16 16 VAL C C 16 175.016 174.769 0.247 1
1 128 . 15 1 1 A 17 17 ASN N N 17 121.488 118.661 2.827 1
1 129 . 15 1 1 A 17 17 ASN H H 17 8.198 8.675 -0.477 1
1 130 . 15 1 1 A 17 17 ASN CA C 17 52.948 52.896 0.052 1
1 131 . 15 1 1 A 17 17 ASN HA H 17 4.630 4.730 -0.100 1
1 132 . 15 1 1 A 17 17 ASN CB C 17 39.289 42.539 -3.250 1
1 137 . 15 1 1 A 17 17 ASN C C 17 174.167 172.861 1.306 1
1 139 . 15 1 1 A 18 18 TYR N N 18 122.069 121.458 0.611 1
1 140 . 15 1 1 A 18 18 TYR H H 18 8.117 8.461 -0.344 1
1 141 . 15 1 1 A 18 18 TYR CA C 18 55.970 55.918 0.052 1
1 142 . 15 1 1 A 18 18 TYR HA H 18 4.771 4.901 -0.130 1
1 143 . 15 1 1 A 18 18 TYR CB C 18 38.260 39.591 -1.331 1
1 153 . 15 1 1 A 18 18 TYR C C 18 173.978 173.562 0.416 1
1 155 . 15 1 1 A 19 19 PRO CA C 19 63.378 63.243 0.135 1
1 156 . 15 1 1 A 19 19 PRO HA H 19 4.414 4.750 -0.336 1
1 157 . 15 1 1 A 19 19 PRO CB C 19 32.018 32.787 -0.769 1
1 163 . 15 1 1 A 19 19 PRO C C 19 176.659 175.764 0.895 1
1 167 . 15 1 1 A 20 20 ASN N N 20 118.582 119.162 -0.580 1
1 168 . 15 1 1 A 20 20 ASN H H 20 8.508 8.667 -0.159 1
1 169 . 15 1 1 A 20 20 ASN CA C 20 53.334 51.918 1.416 1
1 170 . 15 1 1 A 20 20 ASN HA H 20 4.756 5.135 -0.379 1
1 171 . 15 1 1 A 20 20 ASN CB C 20 38.964 43.448 -4.484 1
1 176 . 15 1 1 A 20 20 ASN C C 20 175.301 174.089 1.212 1
1 178 . 15 1 1 A 21 21 SER N N 21 115.989 113.314 2.675 1
1 179 . 15 1 1 A 21 21 SER H H 21 8.360 8.716 -0.356 1
1 180 . 15 1 1 A 21 21 SER CA C 21 58.877 56.785 2.092 1
1 181 . 15 1 1 A 21 21 SER HA H 21 4.481 5.261 -0.780 1
1 182 . 15 1 1 A 21 21 SER CB C 21 63.988 65.850 -1.862 1
1 184 . 15 1 1 A 21 21 SER C C 21 175.006 174.063 0.943 1
1 186 . 15 1 1 A 22 22 GLY N N 22 110.974 107.338 3.636 1
1 187 . 15 1 1 A 22 22 GLY H H 22 8.523 8.287 0.236 1
1 188 . 15 1 1 A 22 22 GLY CA C 22 45.429 45.741 -0.312 1
1 189 . 15 1 1 A 22 22 GLY HA3 H 22 4.074 4.160 -0.086 1
1 190 . 15 1 1 A 22 22 GLY C C 22 173.860 171.721 2.139 1
1 191 . 15 1 1 A 22 22 GLY HA2 H 22 4.074 4.159 -0.085 1
1 192 . 15 1 1 A 23 23 SER N N 23 115.179 114.222 0.957 1
1 193 . 15 1 1 A 23 23 SER H H 23 8.190 8.769 -0.579 1
1 194 . 15 1 1 A 23 23 SER CA C 23 58.233 56.607 1.626 1
1 195 . 15 1 1 A 23 23 SER HA H 23 4.511 5.388 -0.877 1
1 196 . 15 1 1 A 23 23 SER CB C 23 64.511 66.887 -2.376 1
1 198 . 15 1 1 A 23 23 SER C C 23 173.263 173.183 0.080 1
1 200 . 15 1 1 A 24 24 VAL N N 24 122.289 120.096 2.193 1
1 201 . 15 1 1 A 24 24 VAL H H 24 7.889 8.426 -0.537 1
1 202 . 15 1 1 A 24 24 VAL CA C 24 61.754 60.467 1.287 1
1 203 . 15 1 1 A 24 24 VAL HA H 24 4.567 5.061 -0.494 1
1 204 . 15 1 1 A 24 24 VAL CB C 24 33.612 34.314 -0.702 1
1 214 . 15 1 1 A 24 24 VAL C C 24 174.799 174.572 0.227 1
1 215 . 15 1 1 A 25 25 SER N N 25 118.995 122.481 -3.486 1
1 216 . 15 1 1 A 25 25 SER H H 25 8.244 8.643 -0.399 1
1 217 . 15 1 1 A 25 25 SER CA C 25 57.102 57.519 -0.417 1
1 218 . 15 1 1 A 25 25 SER HA H 25 5.039 5.144 -0.105 1
1 219 . 15 1 1 A 25 25 SER CB C 25 66.338 66.585 -0.247 1
1 221 . 15 1 1 A 25 25 SER C C 25 171.718 172.698 -0.980 1
1 223 . 15 1 1 A 26 26 ALA N N 26 121.537 125.668 -4.131 1
1 224 . 15 1 1 A 26 26 ALA H H 26 8.503 8.802 -0.299 1
1 225 . 15 1 1 A 26 26 ALA CA C 26 50.695 50.386 0.309 1
1 226 . 15 1 1 A 26 26 ALA HA H 26 5.637 5.121 0.516 1
1 227 . 15 1 1 A 26 26 ALA CB C 26 23.364 21.786 1.578 1
1 231 . 15 1 1 A 26 26 ALA C C 26 175.355 175.795 -0.440 1
1 232 . 15 1 1 A 27 27 TYR N N 27 116.588 118.602 -2.014 1
1 233 . 15 1 1 A 27 27 TYR H H 27 8.885 8.345 0.540 1
1 234 . 15 1 1 A 27 27 TYR CA C 27 57.013 55.772 1.241 1
1 235 . 15 1 1 A 27 27 TYR HA H 27 4.742 5.119 -0.377 1
1 236 . 15 1 1 A 27 27 TYR CB C 27 40.325 41.925 -1.600 1
1 246 . 15 1 1 A 27 27 TYR C C 27 172.990 173.864 -0.874 1
1 248 . 15 1 1 A 28 28 GLY N N 28 108.423 106.784 1.639 1
1 249 . 15 1 1 A 28 28 GLY H H 28 8.475 8.526 -0.051 1
1 250 . 15 1 1 A 28 28 GLY CA C 28 44.439 44.951 -0.512 1
1 251 . 15 1 1 A 28 28 GLY HA3 H 28 4.141 4.355 -0.214 1
1 252 . 15 1 1 A 28 28 GLY C C 28 173.419 173.997 -0.578 1
1 253 . 15 1 1 A 28 28 GLY HA2 H 28 5.092 4.343 0.749 1
1 254 . 15 1 1 A 29 29 PRO CA C 29 65.537 63.783 1.754 1
1 255 . 15 1 1 A 29 29 PRO HA H 29 4.298 4.158 0.140 1
1 256 . 15 1 1 A 29 29 PRO CB C 29 31.509 31.663 -0.154 1
1 262 . 15 1 1 A 29 29 PRO C C 29 178.493 177.215 1.278 1
1 266 . 15 1 1 A 30 30 GLY N N 30 102.459 106.929 -4.470 1
1 267 . 15 1 1 A 30 30 GLY H H 30 8.655 8.398 0.257 1
1 268 . 15 1 1 A 30 30 GLY CA C 30 46.245 46.237 0.008 1
1 269 . 15 1 1 A 30 30 GLY HA3 H 30 3.417 4.125 -0.708 1
1 270 . 15 1 1 A 30 30 GLY C C 30 172.945 175.637 -2.692 1
1 271 . 15 1 1 A 30 30 GLY HA2 H 30 4.316 3.979 0.337 1
1 272 . 15 1 1 A 31 31 LEU N N 31 116.436 122.100 -5.664 1
1 273 . 15 1 1 A 31 31 LEU H H 31 7.049 7.617 -0.568 1
1 274 . 15 1 1 A 31 31 LEU CA C 31 55.368 57.519 -2.151 1
1 275 . 15 1 1 A 31 31 LEU HA H 31 3.784 4.046 -0.262 1
1 276 . 15 1 1 A 31 31 LEU CB C 31 42.148 41.485 0.663 1
1 288 . 15 1 1 A 31 31 LEU C C 31 175.321 178.963 -3.642 1
1 290 . 15 1 1 A 32 32 VAL N N 32 112.078 117.414 -5.336 1
1 291 . 15 1 1 A 32 32 VAL H H 32 7.739 6.975 0.764 1
1 292 . 15 1 1 A 32 32 VAL CA C 32 62.956 65.226 -2.270 1
1 293 . 15 1 1 A 32 32 VAL HA H 32 4.574 3.653 0.921 1
1 294 . 15 1 1 A 32 32 VAL CB C 32 35.415 31.526 3.889 1
1 304 . 15 1 1 A 32 32 VAL C C 32 176.810 175.810 1.000 1
1 305 . 15 1 1 A 33 33 TYR N N 33 121.116 115.737 5.379 1
1 306 . 15 1 1 A 33 33 TYR H H 33 8.638 7.357 1.281 1
1 307 . 15 1 1 A 33 33 TYR CA C 33 56.523 55.973 0.550 1
1 308 . 15 1 1 A 33 33 TYR HA H 33 5.639 4.946 0.693 1
1 309 . 15 1 1 A 33 33 TYR CB C 33 42.165 40.566 1.599 1
1 319 . 15 1 1 A 33 33 TYR C C 33 172.858 173.809 -0.951 1
1 321 . 15 1 1 A 34 34 GLY N N 34 107.313 106.784 0.529 1
1 322 . 15 1 1 A 34 34 GLY H H 34 7.637 8.219 -0.582 1
1 323 . 15 1 1 A 34 34 GLY CA C 34 44.721 45.485 -0.764 1
1 324 . 15 1 1 A 34 34 GLY HA3 H 34 3.793 4.483 -0.690 1
1 325 . 15 1 1 A 34 34 GLY C C 34 170.727 171.808 -1.081 1
1 326 . 15 1 1 A 34 34 GLY HA2 H 34 3.873 4.446 -0.573 1
1 327 . 15 1 1 A 35 35 VAL N N 35 120.853 120.038 0.815 1
1 328 . 15 1 1 A 35 35 VAL H H 35 8.731 8.457 0.274 1
1 329 . 15 1 1 A 35 35 VAL CA C 35 60.627 60.366 0.261 1
1 330 . 15 1 1 A 35 35 VAL HA H 35 4.589 4.954 -0.365 1
1 331 . 15 1 1 A 35 35 VAL CB C 35 35.374 35.436 -0.062 1
1 341 . 15 1 1 A 35 35 VAL C C 35 174.813 175.012 -0.199 1
1 342 . 15 1 1 A 36 36 ALA N N 36 127.708 129.925 -2.217 1
1 343 . 15 1 1 A 36 36 ALA H H 36 8.482 8.719 -0.237 1
1 344 . 15 1 1 A 36 36 ALA CA C 36 53.332 53.654 -0.322 1
1 345 . 15 1 1 A 36 36 ALA HA H 36 3.535 4.093 -0.558 1
1 346 . 15 1 1 A 36 36 ALA CB C 36 17.653 18.454 -0.801 1
1 350 . 15 1 1 A 36 36 ALA C C 36 176.968 178.138 -1.170 1
1 351 . 15 1 1 A 37 37 ASN N N 37 111.234 117.000 -5.766 1
1 352 . 15 1 1 A 37 37 ASN H H 37 9.147 8.725 0.422 1
1 353 . 15 1 1 A 37 37 ASN CA C 37 55.728 54.404 1.324 1
1 354 . 15 1 1 A 37 37 ASN HA H 37 3.962 4.302 -0.340 1
1 355 . 15 1 1 A 37 37 ASN CB C 37 37.147 37.110 0.037 1
1 360 . 15 1 1 A 37 37 ASN C C 37 173.119 173.870 -0.751 1
1 362 . 15 1 1 A 38 38 LYS N N 38 119.100 116.864 2.236 1
1 363 . 15 1 1 A 38 38 LYS H H 38 7.972 7.490 0.482 1
1 364 . 15 1 1 A 38 38 LYS CA C 38 54.306 54.657 -0.351 1
1 365 . 15 1 1 A 38 38 LYS HA H 38 4.606 4.758 -0.152 1
1 366 . 15 1 1 A 38 38 LYS CB C 38 34.799 36.418 -1.619 1
1 374 . 15 1 1 A 38 38 LYS C C 38 175.533 175.913 -0.380 1
1 379 . 15 1 1 A 39 39 THR N N 39 114.730 114.180 0.550 1
1 380 . 15 1 1 A 39 39 THR H H 39 8.158 8.464 -0.306 1
1 381 . 15 1 1 A 39 39 THR CA C 39 63.302 62.062 1.240 1
1 382 . 15 1 1 A 39 39 THR HA H 39 4.138 4.293 -0.155 1
1 383 . 15 1 1 A 39 39 THR CB C 39 69.652 69.817 -0.165 1
1 389 . 15 1 1 A 39 39 THR C C 39 174.281 174.019 0.262 1
1 390 . 15 1 1 A 40 40 ALA N N 40 129.891 124.973 4.918 1
1 391 . 15 1 1 A 40 40 ALA H H 40 8.750 8.667 0.083 1
1 392 . 15 1 1 A 40 40 ALA CA C 40 50.399 51.758 -1.359 1
1 393 . 15 1 1 A 40 40 ALA HA H 40 4.702 4.975 -0.273 1
1 394 . 15 1 1 A 40 40 ALA CB C 40 20.495 21.289 -0.794 1
1 398 . 15 1 1 A 40 40 ALA C C 40 176.039 175.383 0.656 1
1 399 . 15 1 1 A 41 41 THR N N 41 112.902 116.998 -4.096 1
1 400 . 15 1 1 A 41 41 THR H H 41 8.536 8.758 -0.222 1
1 401 . 15 1 1 A 41 41 THR CA C 41 59.688 59.833 -0.145 1
1 402 . 15 1 1 A 41 41 THR HA H 41 5.779 5.156 0.623 1
1 403 . 15 1 1 A 41 41 THR CB C 41 72.348 71.011 1.337 1
1 409 . 15 1 1 A 41 41 THR C C 41 173.286 172.799 0.487 1
1 410 . 15 1 1 A 42 42 PHE N N 42 119.525 119.337 0.188 1
1 411 . 15 1 1 A 42 42 PHE H H 42 8.825 8.391 0.434 1
1 412 . 15 1 1 A 42 42 PHE CA C 42 57.031 55.472 1.559 1
1 413 . 15 1 1 A 42 42 PHE HA H 42 5.013 5.520 -0.507 1
1 414 . 15 1 1 A 42 42 PHE CB C 42 40.155 41.883 -1.728 1
1 426 . 15 1 1 A 42 42 PHE C C 42 171.282 172.383 -1.101 1
1 428 . 15 1 1 A 43 43 THR N N 43 117.427 114.498 2.929 1
1 429 . 15 1 1 A 43 43 THR H H 43 9.210 8.782 0.428 1
1 430 . 15 1 1 A 43 43 THR CA C 43 62.250 60.922 1.328 1
1 431 . 15 1 1 A 43 43 THR HA H 43 4.987 5.120 -0.133 1
1 432 . 15 1 1 A 43 43 THR CB C 43 71.510 71.489 0.021 1
1 438 . 15 1 1 A 43 43 THR C C 43 173.061 173.100 -0.039 1
1 439 . 15 1 1 A 44 44 ILE N N 44 123.638 123.981 -0.343 1
1 440 . 15 1 1 A 44 44 ILE H H 44 8.859 8.718 0.141 1
1 441 . 15 1 1 A 44 44 ILE CA C 44 59.843 59.957 -0.114 1
1 442 . 15 1 1 A 44 44 ILE HA H 44 4.824 4.546 0.278 1
1 443 . 15 1 1 A 44 44 ILE CB C 44 40.866 40.687 0.179 1
1 455 . 15 1 1 A 44 44 ILE C C 44 174.707 175.124 -0.417 1
1 457 . 15 1 1 A 45 45 VAL N N 45 128.904 128.315 0.589 1
1 458 . 15 1 1 A 45 45 VAL H H 45 9.299 8.640 0.659 1
1 459 . 15 1 1 A 45 45 VAL CA C 45 62.119 62.606 -0.487 1
1 460 . 15 1 1 A 45 45 VAL HA H 45 4.492 4.168 0.324 1
1 461 . 15 1 1 A 45 45 VAL CB C 45 32.683 30.854 1.829 1
1 471 . 15 1 1 A 45 45 VAL C C 45 175.606 175.463 0.143 1
1 472 . 15 1 1 A 46 46 THR N N 46 117.412 117.960 -0.548 1
1 473 . 15 1 1 A 46 46 THR H H 46 8.434 8.376 0.058 1
1 474 . 15 1 1 A 46 46 THR CA C 46 60.650 60.554 0.096 1
1 475 . 15 1 1 A 46 46 THR HA H 46 4.505 5.032 -0.527 1
1 476 . 15 1 1 A 46 46 THR CB C 46 69.432 70.743 -1.311 1
1 482 . 15 1 1 A 46 46 THR C C 46 174.882 173.556 1.326 1
1 483 . 15 1 1 A 47 47 GLU N N 47 122.657 123.915 -1.258 1
1 484 . 15 1 1 A 47 47 GLU H H 47 8.052 8.624 -0.572 1
1 485 . 15 1 1 A 47 47 GLU CA C 47 57.419 54.682 2.737 1
1 486 . 15 1 1 A 47 47 GLU HA H 47 4.231 4.882 -0.651 1
1 487 . 15 1 1 A 47 47 GLU CB C 47 30.281 32.922 -2.641 1
1 491 . 15 1 1 A 47 47 GLU C C 47 175.887 175.369 0.518 1
1 494 . 15 1 1 A 48 48 ASP N N 48 120.269 120.590 -0.321 1
1 495 . 15 1 1 A 48 48 ASP H H 48 8.536 9.157 -0.621 1
1 496 . 15 1 1 A 48 48 ASP CA C 48 54.396 54.954 -0.558 1
1 497 . 15 1 1 A 48 48 ASP HA H 48 4.638 4.350 0.288 1
1 498 . 15 1 1 A 48 48 ASP CB C 48 40.979 39.501 1.478 1
1 500 . 15 1 1 A 48 48 ASP C C 48 175.709 176.510 -0.801 1
1 502 . 15 1 1 A 49 49 ALA N N 49 122.506 119.978 2.528 1
1 503 . 15 1 1 A 49 49 ALA H H 49 8.109 8.411 -0.302 1
1 504 . 15 1 1 A 49 49 ALA CA C 49 52.774 53.076 -0.302 1
1 505 . 15 1 1 A 49 49 ALA HA H 49 4.195 4.428 -0.233 1
1 506 . 15 1 1 A 49 49 ALA CB C 49 19.343 21.311 -1.968 1
1 510 . 15 1 1 A 49 49 ALA C C 49 178.316 177.305 1.011 1
1 511 . 15 1 1 A 50 50 GLY N N 50 107.563 102.459 5.104 1
1 512 . 15 1 1 A 50 50 GLY H H 50 8.269 7.571 0.698 1
1 513 . 15 1 1 A 50 50 GLY CA C 50 45.288 45.027 0.261 1
1 514 . 15 1 1 A 50 50 GLY HA3 H 50 3.993 4.108 -0.115 1
1 515 . 15 1 1 A 50 50 GLY C C 50 174.421 171.832 2.589 1
1 516 . 15 1 1 A 50 50 GLY HA2 H 50 3.993 4.100 -0.107 1
1 517 . 15 1 1 A 51 51 GLU N N 51 121.358 119.065 2.293 1
1 518 . 15 1 1 A 51 51 GLU H H 51 8.519 8.384 0.135 1
1 519 . 15 1 1 A 51 51 GLU CA C 51 56.890 55.486 1.404 1
1 520 . 15 1 1 A 51 51 GLU HA H 51 4.309 5.110 -0.801 1
1 521 . 15 1 1 A 51 51 GLU CB C 51 30.204 33.090 -2.886 1
1 525 . 15 1 1 A 51 51 GLU C C 51 177.003 176.275 0.728 1
1 528 . 15 1 1 A 52 52 GLY N N 52 109.575 112.068 -2.493 1
1 529 . 15 1 1 A 52 52 GLY H H 52 8.349 8.595 -0.246 1
1 530 . 15 1 1 A 52 52 GLY CA C 52 45.571 45.271 0.300 1
1 531 . 15 1 1 A 52 52 GLY HA3 H 52 3.895 4.075 -0.180 1
1 532 . 15 1 1 A 52 52 GLY C C 52 173.666 174.290 -0.624 1
1 533 . 15 1 1 A 52 52 GLY HA2 H 52 3.810 4.061 -0.251 1
1 534 . 15 1 1 A 53 53 GLY N N 53 106.657 107.299 -0.642 1
1 535 . 15 1 1 A 53 53 GLY H H 53 7.893 7.735 0.158 1
1 536 . 15 1 1 A 53 53 GLY CA C 53 45.199 45.515 -0.316 1
1 537 . 15 1 1 A 53 53 GLY HA3 H 53 3.613 4.079 -0.466 1
1 538 . 15 1 1 A 53 53 GLY C C 53 173.414 172.006 1.408 1
1 539 . 15 1 1 A 53 53 GLY HA2 H 53 4.036 3.947 0.089 1
1 540 . 15 1 1 A 54 54 LEU N N 54 124.121 125.643 -1.522 1
1 541 . 15 1 1 A 54 54 LEU H H 54 8.241 8.952 -0.711 1
1 542 . 15 1 1 A 54 54 LEU CA C 54 54.528 54.307 0.221 1
1 543 . 15 1 1 A 54 54 LEU HA H 54 5.056 5.255 -0.199 1
1 544 . 15 1 1 A 54 54 LEU CB C 54 44.325 45.721 -1.396 1
1 556 . 15 1 1 A 54 54 LEU C C 54 176.080 173.836 2.244 1
1 558 . 15 1 1 A 55 55 ASP N N 55 126.024 127.701 -1.677 1
1 559 . 15 1 1 A 55 55 ASP H H 55 8.981 9.388 -0.407 1
1 560 . 15 1 1 A 55 55 ASP CA C 55 54.095 52.864 1.231 1
1 561 . 15 1 1 A 55 55 ASP HA H 55 4.879 5.450 -0.571 1
1 562 . 15 1 1 A 55 55 ASP CB C 55 44.582 44.695 -0.113 1
1 564 . 15 1 1 A 55 55 ASP C C 55 173.601 174.083 -0.482 1
1 566 . 15 1 1 A 56 56 LEU N N 56 125.098 124.232 0.866 1
1 567 . 15 1 1 A 56 56 LEU H H 56 8.300 8.975 -0.675 1
1 568 . 15 1 1 A 56 56 LEU CA C 56 53.221 53.767 -0.546 1
1 569 . 15 1 1 A 56 56 LEU HA H 56 5.422 5.221 0.201 1
1 570 . 15 1 1 A 56 56 LEU CB C 56 46.028 46.502 -0.474 1
1 582 . 15 1 1 A 56 56 LEU C C 56 175.700 175.152 0.548 1
1 584 . 15 1 1 A 57 57 ALA N N 57 125.664 123.032 2.632 1
1 585 . 15 1 1 A 57 57 ALA H H 57 8.840 8.732 0.108 1
1 586 . 15 1 1 A 57 57 ALA CA C 57 51.851 52.028 -0.177 1
1 587 . 15 1 1 A 57 57 ALA HA H 57 4.600 4.964 -0.364 1
1 588 . 15 1 1 A 57 57 ALA CB C 57 22.862 21.540 1.322 1
1 592 . 15 1 1 A 57 57 ALA C C 57 174.504 175.933 -1.429 1
1 593 . 15 1 1 A 58 58 ILE N N 58 119.429 123.605 -4.176 1
1 594 . 15 1 1 A 58 58 ILE H H 58 8.617 8.879 -0.262 1
1 595 . 15 1 1 A 58 58 ILE CA C 58 60.143 59.802 0.341 1
1 596 . 15 1 1 A 58 58 ILE HA H 58 5.272 5.067 0.205 1
1 597 . 15 1 1 A 58 58 ILE CB C 58 41.068 39.847 1.221 1
1 609 . 15 1 1 A 58 58 ILE C C 58 175.328 175.197 0.131 1
1 611 . 15 1 1 A 59 59 GLU N N 59 128.665 124.333 4.332 1
1 612 . 15 1 1 A 59 59 GLU H H 59 9.315 9.307 0.008 1
1 613 . 15 1 1 A 59 59 GLU CA C 59 54.166 54.803 -0.637 1
1 614 . 15 1 1 A 59 59 GLU HA H 59 4.920 5.222 -0.302 1
1 615 . 15 1 1 A 59 59 GLU CB C 59 32.698 33.404 -0.706 1
1 619 . 15 1 1 A 59 59 GLU C C 59 175.108 175.845 -0.737 1
1 622 . 15 1 1 A 60 60 GLY N N 60 110.929 108.799 2.130 1
1 623 . 15 1 1 A 60 60 GLY H H 60 8.427 8.335 0.092 1
1 624 . 15 1 1 A 60 60 GLY CA C 60 45.608 45.087 0.521 1
1 625 . 15 1 1 A 60 60 GLY HA3 H 60 3.927 4.123 -0.196 1
1 626 . 15 1 1 A 60 60 GLY C C 60 171.379 173.970 -2.591 1
1 627 . 15 1 1 A 60 60 GLY HA2 H 60 3.531 3.960 -0.429 1
1 628 . 15 1 1 A 61 61 PRO CA C 61 64.103 63.913 0.190 1
1 629 . 15 1 1 A 61 61 PRO HA H 61 4.270 4.410 -0.140 1
1 630 . 15 1 1 A 61 61 PRO CB C 61 32.206 31.966 0.240 1
1 636 . 15 1 1 A 61 61 PRO C C 61 176.075 176.229 -0.154 1
1 640 . 15 1 1 A 62 62 SER N N 62 108.474 111.693 -3.219 1
1 641 . 15 1 1 A 62 62 SER H H 62 7.099 7.547 -0.448 1
1 642 . 15 1 1 A 62 62 SER CA C 62 56.398 56.643 -0.245 1
1 643 . 15 1 1 A 62 62 SER HA H 62 4.655 4.706 -0.051 1
1 644 . 15 1 1 A 62 62 SER CB C 62 67.457 65.415 2.042 1
1 646 . 15 1 1 A 62 62 SER C C 62 172.805 172.791 0.014 1
1 648 . 15 1 1 A 63 63 LYS N N 63 122.679 120.804 1.875 1
1 649 . 15 1 1 A 63 63 LYS H H 63 8.653 8.458 0.195 1
1 650 . 15 1 1 A 63 63 LYS CA C 63 55.822 55.640 0.182 1
1 651 . 15 1 1 A 63 63 LYS HA H 63 4.449 4.902 -0.453 1
1 652 . 15 1 1 A 63 63 LYS CB C 63 31.384 33.498 -2.114 1
1 660 . 15 1 1 A 63 63 LYS C C 63 175.601 175.616 -0.015 1
1 665 . 15 1 1 A 64 64 ALA N N 64 130.710 127.295 3.415 1
1 666 . 15 1 1 A 64 64 ALA H H 64 8.690 8.993 -0.303 1
1 667 . 15 1 1 A 64 64 ALA CA C 64 51.425 50.125 1.300 1
1 668 . 15 1 1 A 64 64 ALA HA H 64 4.578 5.282 -0.704 1
1 669 . 15 1 1 A 64 64 ALA CB C 64 19.803 20.955 -1.152 1
1 673 . 15 1 1 A 64 64 ALA C C 64 176.395 177.127 -0.732 1
1 674 . 15 1 1 A 65 65 GLU N N 65 123.534 121.707 1.827 1
1 675 . 15 1 1 A 65 65 GLU H H 65 8.397 8.666 -0.269 1
1 676 . 15 1 1 A 65 65 GLU CA C 65 56.854 56.900 -0.046 1
1 677 . 15 1 1 A 65 65 GLU HA H 65 4.278 4.509 -0.231 1
1 678 . 15 1 1 A 65 65 GLU CB C 65 30.346 30.959 -0.613 1
1 682 . 15 1 1 A 65 65 GLU C C 65 176.381 175.893 0.488 1
1 685 . 15 1 1 A 66 66 ILE N N 66 124.380 121.402 2.978 1
1 686 . 15 1 1 A 66 66 ILE H H 66 8.541 8.500 0.041 1
1 687 . 15 1 1 A 66 66 ILE CA C 66 60.568 60.368 0.200 1
1 688 . 15 1 1 A 66 66 ILE HA H 66 4.865 4.853 0.012 1
1 689 . 15 1 1 A 66 66 ILE CB C 66 41.804 41.424 0.380 1
1 701 . 15 1 1 A 66 66 ILE C C 66 175.421 174.961 0.460 1
1 703 . 15 1 1 A 67 67 SER N N 67 122.057 125.582 -3.525 1
1 704 . 15 1 1 A 67 67 SER H H 67 9.035 8.851 0.184 1
1 705 . 15 1 1 A 67 67 SER CA C 67 56.908 58.251 -1.343 1
1 706 . 15 1 1 A 67 67 SER HA H 67 4.729 4.932 -0.203 1
1 707 . 15 1 1 A 67 67 SER CB C 67 64.980 63.382 1.598 1
1 709 . 15 1 1 A 67 67 SER C C 67 172.294 174.031 -1.737 1
1 711 . 15 1 1 A 68 68 CYS N N 68 124.699 124.891 -0.192 1
1 712 . 15 1 1 A 68 68 CYS H H 68 8.732 8.546 0.186 1
1 713 . 15 1 1 A 68 68 CYS CA C 68 57.310 59.959 -2.649 1
1 714 . 15 1 1 A 68 68 CYS HA H 68 5.038 4.419 0.619 1
1 715 . 15 1 1 A 68 68 CYS CB C 68 28.380 27.936 0.444 1
1 717 . 15 1 1 A 68 68 CYS C C 68 173.135 175.044 -1.909 1
1 719 . 15 1 1 A 69 69 ILE N N 69 128.680 123.698 4.982 1
1 720 . 15 1 1 A 69 69 ILE H H 69 8.757 8.604 0.153 1
1 721 . 15 1 1 A 69 69 ILE CA C 69 59.153 60.309 -1.156 1
1 722 . 15 1 1 A 69 69 ILE HA H 69 4.350 4.617 -0.267 1
1 723 . 15 1 1 A 69 69 ILE CB C 69 40.750 40.825 -0.075 1
1 735 . 15 1 1 A 69 69 ILE C C 69 174.363 173.800 0.563 1
1 737 . 15 1 1 A 70 70 ASP N N 70 126.290 127.891 -1.601 1
1 738 . 15 1 1 A 70 70 ASP H H 70 8.596 8.847 -0.251 1
1 739 . 15 1 1 A 70 70 ASP CA C 70 53.671 53.083 0.588 1
1 740 . 15 1 1 A 70 70 ASP HA H 70 4.892 4.750 0.142 1
1 741 . 15 1 1 A 70 70 ASP CB C 70 41.069 41.669 -0.600 1
1 743 . 15 1 1 A 70 70 ASP C C 70 176.812 175.602 1.210 1
1 745 . 15 1 1 A 71 71 ASN N N 71 125.163 124.261 0.902 1
1 746 . 15 1 1 A 71 71 ASN H H 71 8.745 8.783 -0.038 1
1 747 . 15 1 1 A 71 71 ASN CA C 71 54.626 52.972 1.654 1
1 748 . 15 1 1 A 71 71 ASN HA H 71 4.647 4.835 -0.188 1
1 749 . 15 1 1 A 71 71 ASN CB C 71 38.688 39.790 -1.102 1
1 754 . 15 1 1 A 71 71 ASN C C 71 175.657 174.820 0.837 1
1 756 . 15 1 1 A 72 72 LYS N N 72 114.425 115.546 -1.121 1
1 757 . 15 1 1 A 72 72 LYS H H 72 9.407 7.440 1.967 1
1 758 . 15 1 1 A 72 72 LYS CA C 72 57.535 57.341 0.194 1
1 759 . 15 1 1 A 72 72 LYS HA H 72 4.028 3.902 0.126 1
1 760 . 15 1 1 A 72 72 LYS CB C 72 28.393 29.115 -0.722 1
1 768 . 15 1 1 A 72 72 LYS C C 72 175.123 176.080 -0.957 1
1 773 . 15 1 1 A 73 73 ASP N N 73 117.581 118.264 -0.683 1
1 774 . 15 1 1 A 73 73 ASP H H 73 7.881 8.633 -0.752 1
1 775 . 15 1 1 A 73 73 ASP CA C 73 52.274 53.277 -1.003 1
1 776 . 15 1 1 A 73 73 ASP HA H 73 4.769 4.880 -0.111 1
1 777 . 15 1 1 A 73 73 ASP CB C 73 41.210 41.548 -0.338 1
1 779 . 15 1 1 A 73 73 ASP C C 73 177.197 176.352 0.845 1
1 781 . 15 1 1 A 74 74 GLY N N 74 109.385 108.496 0.889 1
1 782 . 15 1 1 A 74 74 GLY H H 74 8.781 8.425 0.356 1
1 783 . 15 1 1 A 74 74 GLY CA C 74 45.179 45.964 -0.785 1
1 784 . 15 1 1 A 74 74 GLY HA3 H 74 3.673 3.923 -0.250 1
1 785 . 15 1 1 A 74 74 GLY C C 74 173.671 173.479 0.192 1
1 786 . 15 1 1 A 74 74 GLY HA2 H 74 4.469 3.922 0.547 1
1 787 . 15 1 1 A 75 75 THR N N 75 110.220 109.632 0.588 1
1 788 . 15 1 1 A 75 75 THR H H 75 8.179 7.496 0.683 1
1 789 . 15 1 1 A 75 75 THR CA C 75 59.843 60.018 -0.175 1
1 790 . 15 1 1 A 75 75 THR HA H 75 5.678 5.058 0.620 1
1 791 . 15 1 1 A 75 75 THR CB C 75 73.810 72.692 1.118 1
1 797 . 15 1 1 A 75 75 THR C C 75 173.912 172.361 1.551 1
1 798 . 15 1 1 A 76 76 CYS N N 76 117.252 119.165 -1.913 1
1 799 . 15 1 1 A 76 76 CYS H H 76 9.295 8.479 0.816 1
1 800 . 15 1 1 A 76 76 CYS CA C 76 56.716 57.787 -1.071 1
1 801 . 15 1 1 A 76 76 CYS HA H 76 5.517 5.031 0.486 1
1 802 . 15 1 1 A 76 76 CYS CB C 76 31.176 32.248 -1.072 1
1 804 . 15 1 1 A 76 76 CYS C C 76 174.083 173.213 0.870 1
1 806 . 15 1 1 A 77 77 THR N N 77 121.477 116.803 4.674 1
1 807 . 15 1 1 A 77 77 THR H H 77 9.137 8.055 1.082 1
1 808 . 15 1 1 A 77 77 THR CA C 77 62.565 61.550 1.015 1
1 809 . 15 1 1 A 77 77 THR HA H 77 4.592 5.086 -0.494 1
1 810 . 15 1 1 A 77 77 THR CB C 77 70.447 71.106 -0.659 1
1 816 . 15 1 1 A 77 77 THR C C 77 173.469 173.360 0.109 1
1 817 . 15 1 1 A 78 78 VAL N N 78 131.586 126.185 5.401 1
1 818 . 15 1 1 A 78 78 VAL H H 78 9.099 8.278 0.821 1
1 819 . 15 1 1 A 78 78 VAL CA C 78 60.604 60.737 -0.133 1
1 820 . 15 1 1 A 78 78 VAL HA H 78 4.672 4.587 0.085 1
1 821 . 15 1 1 A 78 78 VAL CB C 78 32.061 33.754 -1.693 1
1 831 . 15 1 1 A 78 78 VAL C C 78 174.618 174.554 0.064 1
1 832 . 15 1 1 A 79 79 THR N N 79 120.071 123.068 -2.997 1
1 833 . 15 1 1 A 79 79 THR H H 79 8.782 8.917 -0.135 1
1 834 . 15 1 1 A 79 79 THR CA C 79 59.685 61.911 -2.226 1
1 835 . 15 1 1 A 79 79 THR HA H 79 5.424 5.086 0.338 1
1 836 . 15 1 1 A 79 79 THR CB C 79 71.374 70.917 0.457 1
1 842 . 15 1 1 A 79 79 THR C C 79 173.250 173.659 -0.409 1
1 843 . 15 1 1 A 80 80 TYR N N 80 120.212 121.114 -0.902 1
1 844 . 15 1 1 A 80 80 TYR H H 80 9.132 8.980 0.152 1
1 845 . 15 1 1 A 80 80 TYR CA C 80 55.554 55.804 -0.250 1
1 846 . 15 1 1 A 80 80 TYR HA H 80 5.686 5.423 0.263 1
1 847 . 15 1 1 A 80 80 TYR CB C 80 42.143 41.983 0.160 1
1 857 . 15 1 1 A 80 80 TYR C C 80 172.856 172.449 0.407 1
1 859 . 15 1 1 A 81 81 LEU N N 81 121.355 123.292 -1.937 1
1 860 . 15 1 1 A 81 81 LEU H H 81 7.729 9.144 -1.415 1
1 861 . 15 1 1 A 81 81 LEU CA C 81 50.912 50.993 -0.081 1
1 862 . 15 1 1 A 81 81 LEU HA H 81 4.991 4.755 0.236 1
1 863 . 15 1 1 A 81 81 LEU CB C 81 43.636 44.734 -1.098 1
1 875 . 15 1 1 A 81 81 LEU C C 81 172.982 175.173 -2.191 1
1 877 . 15 1 1 A 82 82 PRO CA C 82 61.629 62.555 -0.926 1
1 878 . 15 1 1 A 82 82 PRO HA H 82 4.587 4.809 -0.222 1
1 879 . 15 1 1 A 82 82 PRO CB C 82 32.091 33.300 -1.209 1
1 885 . 15 1 1 A 82 82 PRO C C 82 177.683 176.071 1.612 1
1 889 . 15 1 1 A 83 83 THR N N 83 112.637 109.233 3.404 1
1 890 . 15 1 1 A 83 83 THR H H 83 8.438 8.435 0.003 1
1 891 . 15 1 1 A 83 83 THR CA C 83 62.207 61.777 0.430 1
1 892 . 15 1 1 A 83 83 THR HA H 83 4.305 4.589 -0.284 1
1 893 . 15 1 1 A 83 83 THR CB C 83 69.155 70.062 -0.907 1
1 899 . 15 1 1 A 83 83 THR C C 83 173.582 175.003 -1.421 1
1 900 . 15 1 1 A 84 84 LEU N N 84 118.186 122.048 -3.862 1
1 901 . 15 1 1 A 84 84 LEU H H 84 6.839 7.594 -0.755 1
1 902 . 15 1 1 A 84 84 LEU CA C 84 51.513 51.169 0.344 1
1 903 . 15 1 1 A 84 84 LEU HA H 84 4.976 4.920 0.056 1
1 904 . 15 1 1 A 84 84 LEU CB C 84 45.838 45.389 0.449 1
1 916 . 15 1 1 A 84 84 LEU C C 84 175.119 174.438 0.681 1
1 918 . 15 1 1 A 85 85 PRO CA C 85 62.660 63.529 -0.869 1
1 919 . 15 1 1 A 85 85 PRO HA H 85 4.347 4.889 -0.542 1
1 920 . 15 1 1 A 85 85 PRO CB C 85 32.801 31.787 1.014 1
1 926 . 15 1 1 A 85 85 PRO C C 85 174.117 176.163 -2.046 1
1 930 . 15 1 1 A 86 86 GLY N N 86 106.704 108.227 -1.523 1
1 931 . 15 1 1 A 86 86 GLY H H 86 9.065 8.015 1.050 1
1 932 . 15 1 1 A 86 86 GLY CA C 86 44.520 45.343 -0.823 1
1 933 . 15 1 1 A 86 86 GLY HA3 H 86 3.838 4.132 -0.294 1
1 934 . 15 1 1 A 86 86 GLY C C 86 171.468 171.659 -0.191 1
1 935 . 15 1 1 A 86 86 GLY HA2 H 86 4.408 4.037 0.371 1
1 936 . 15 1 1 A 87 87 ASP N N 87 120.573 120.914 -0.341 1
1 937 . 15 1 1 A 87 87 ASP H H 87 8.275 8.550 -0.275 1
1 938 . 15 1 1 A 87 87 ASP CA C 87 53.500 55.237 -1.737 1
1 939 . 15 1 1 A 87 87 ASP HA H 87 5.498 4.625 0.873 1
1 940 . 15 1 1 A 87 87 ASP CB C 87 40.877 40.643 0.234 1
1 942 . 15 1 1 A 87 87 ASP C C 87 176.069 175.749 0.320 1
1 944 . 15 1 1 A 88 88 TYR N N 88 124.115 123.077 1.038 1
1 945 . 15 1 1 A 88 88 TYR H H 88 9.510 8.539 0.971 1
1 946 . 15 1 1 A 88 88 TYR CA C 88 56.667 57.105 -0.438 1
1 947 . 15 1 1 A 88 88 TYR HA H 88 4.983 5.474 -0.491 1
1 948 . 15 1 1 A 88 88 TYR CB C 88 39.633 39.966 -0.333 1
1 958 . 15 1 1 A 88 88 TYR C C 88 174.533 174.736 -0.203 1
1 960 . 15 1 1 A 89 89 SER N N 89 118.331 119.631 -1.300 1
1 961 . 15 1 1 A 89 89 SER H H 89 9.200 8.999 0.201 1
1 962 . 15 1 1 A 89 89 SER CA C 89 56.737 57.224 -0.487 1
1 963 . 15 1 1 A 89 89 SER HA H 89 5.346 4.747 0.599 1
1 964 . 15 1 1 A 89 89 SER CB C 89 64.421 63.564 0.857 1
1 966 . 15 1 1 A 89 89 SER C C 89 173.462 173.590 -0.128 1
1 968 . 15 1 1 A 90 90 ILE N N 90 127.805 128.069 -0.264 1
1 969 . 15 1 1 A 90 90 ILE H H 90 9.536 8.728 0.808 1
1 970 . 15 1 1 A 90 90 ILE CA C 90 61.209 61.297 -0.088 1
1 971 . 15 1 1 A 90 90 ILE HA H 90 4.505 4.392 0.113 1
1 972 . 15 1 1 A 90 90 ILE CB C 90 39.225 37.780 1.445 1
1 984 . 15 1 1 A 90 90 ILE C C 90 174.259 175.061 -0.802 1
1 986 . 15 1 1 A 91 91 LEU N N 91 129.968 125.721 4.247 1
1 987 . 15 1 1 A 91 91 LEU H H 91 9.354 8.924 0.430 1
1 988 . 15 1 1 A 91 91 LEU CA C 91 55.510 53.456 2.054 1
1 989 . 15 1 1 A 91 91 LEU HA H 91 4.774 5.228 -0.454 1
1 990 . 15 1 1 A 91 91 LEU CB C 91 42.674 44.764 -2.090 1
1 1002 . 15 1 1 A 91 91 LEU C C 91 175.517 175.408 0.109 1
1 1004 . 15 1 1 A 92 92 VAL N N 92 124.859 124.887 -0.028 1
1 1005 . 15 1 1 A 92 92 VAL H H 92 9.431 8.880 0.551 1
1 1006 . 15 1 1 A 92 92 VAL CA C 92 61.488 60.768 0.720 1
1 1007 . 15 1 1 A 92 92 VAL HA H 92 4.626 4.936 -0.310 1
1 1008 . 15 1 1 A 92 92 VAL CB C 92 33.437 35.125 -1.688 1
1 1018 . 15 1 1 A 92 92 VAL C C 92 173.589 174.483 -0.894 1
1 1019 . 15 1 1 A 93 93 LYS N N 93 123.909 125.970 -2.061 1
1 1020 . 15 1 1 A 93 93 LYS H H 93 8.660 8.933 -0.273 1
1 1021 . 15 1 1 A 93 93 LYS CA C 93 53.953 54.140 -0.187 1
1 1022 . 15 1 1 A 93 93 LYS HA H 93 5.017 4.936 0.081 1
1 1023 . 15 1 1 A 93 93 LYS CB C 93 36.475 35.827 0.648 1
1 1031 . 15 1 1 A 93 93 LYS C C 93 174.746 174.505 0.241 1
1 1036 . 15 1 1 A 94 94 TYR N N 94 120.499 123.468 -2.969 1
1 1037 . 15 1 1 A 94 94 TYR H H 94 8.821 9.278 -0.457 1
1 1038 . 15 1 1 A 94 94 TYR CA C 94 56.438 57.567 -1.129 1
1 1039 . 15 1 1 A 94 94 TYR HA H 94 5.161 5.245 -0.084 1
1 1040 . 15 1 1 A 94 94 TYR CB C 94 41.931 41.493 0.438 1
1 1050 . 15 1 1 A 94 94 TYR C C 94 176.635 174.999 1.636 1
1 1052 . 15 1 1 A 95 95 ASN N N 95 128.155 125.835 2.320 1
1 1053 . 15 1 1 A 95 95 ASN H H 95 8.872 9.434 -0.562 1
1 1054 . 15 1 1 A 95 95 ASN CA C 95 54.360 54.506 -0.146 1
1 1055 . 15 1 1 A 95 95 ASN HA H 95 4.215 4.245 -0.030 1
1 1056 . 15 1 1 A 95 95 ASN CB C 95 36.735 36.722 0.013 1
1 1061 . 15 1 1 A 95 95 ASN C C 95 174.592 174.111 0.481 1
1 1063 . 15 1 1 A 96 96 ASP N N 96 110.440 109.977 0.463 1
1 1064 . 15 1 1 A 96 96 ASP H H 96 9.304 8.472 0.832 1
1 1065 . 15 1 1 A 96 96 ASP CA C 96 55.920 55.500 0.420 1
1 1066 . 15 1 1 A 96 96 ASP HA H 96 4.030 4.161 -0.131 1
1 1067 . 15 1 1 A 96 96 ASP CB C 96 40.704 39.053 1.651 1
1 1069 . 15 1 1 A 96 96 ASP C C 96 174.657 174.554 0.103 1
1 1071 . 15 1 1 A 97 97 LYS N N 97 118.806 117.315 1.491 1
1 1072 . 15 1 1 A 97 97 LYS H H 97 7.482 7.575 -0.093 1
1 1073 . 15 1 1 A 97 97 LYS CA C 97 54.378 54.893 -0.515 1
1 1074 . 15 1 1 A 97 97 LYS HA H 97 4.715 4.786 -0.071 1
1 1075 . 15 1 1 A 97 97 LYS CB C 97 35.127 35.598 -0.471 1
1 1083 . 15 1 1 A 97 97 LYS C C 97 176.499 175.583 0.916 1
1 1088 . 15 1 1 A 98 98 HIS N N 98 124.063 123.057 1.006 1
1 1089 . 15 1 1 A 98 98 HIS H H 98 8.795 8.755 0.040 1
1 1090 . 15 1 1 A 98 98 HIS CA C 98 58.870 57.244 1.626 1
1 1091 . 15 1 1 A 98 98 HIS HA H 98 4.496 4.587 -0.091 1
1 1092 . 15 1 1 A 98 98 HIS CB C 98 32.178 30.596 1.582 1
1 1098 . 15 1 1 A 98 98 HIS C C 98 177.720 175.884 1.836 1
1 1100 . 15 1 1 A 99 99 ILE N N 99 120.049 120.987 -0.938 1
1 1101 . 15 1 1 A 99 99 ILE H H 99 8.380 7.982 0.398 1
1 1102 . 15 1 1 A 99 99 ILE CA C 99 60.674 59.547 1.127 1
1 1103 . 15 1 1 A 99 99 ILE HA H 99 4.696 4.510 0.186 1
1 1104 . 15 1 1 A 99 99 ILE CB C 99 35.539 38.056 -2.517 1
1 1116 . 15 1 1 A 99 99 ILE C C 99 173.419 174.544 -1.125 1
1 1118 . 15 1 1 A 100 100 PRO CA C 100 65.343 63.743 1.600 1
1 1119 . 15 1 1 A 100 100 PRO HA H 100 4.255 4.273 -0.018 1
1 1120 . 15 1 1 A 100 100 PRO CB C 100 31.128 31.274 -0.146 1
1 1126 . 15 1 1 A 100 100 PRO C C 100 176.734 177.390 -0.656 1
1 1130 . 15 1 1 A 101 101 GLY N N 101 113.906 113.222 0.684 1
1 1131 . 15 1 1 A 101 101 GLY H H 101 8.167 8.794 -0.627 1
1 1132 . 15 1 1 A 101 101 GLY CA C 101 44.668 44.931 -0.263 1
1 1133 . 15 1 1 A 101 101 GLY HA3 H 101 3.120 3.936 -0.816 1
1 1134 . 15 1 1 A 101 101 GLY C C 101 171.985 174.252 -2.267 1
1 1135 . 15 1 1 A 101 101 GLY HA2 H 101 4.140 3.901 0.239 1
1 1136 . 15 1 1 A 102 102 SER N N 102 112.418 117.133 -4.715 1
1 1137 . 15 1 1 A 102 102 SER H H 102 7.641 7.240 0.401 1
1 1138 . 15 1 1 A 102 102 SER CA C 102 54.770 55.901 -1.131 1
1 1139 . 15 1 1 A 102 102 SER HA H 102 4.107 4.032 0.075 1
1 1140 . 15 1 1 A 102 102 SER CB C 102 62.454 63.553 -1.099 1
1 1142 . 15 1 1 A 102 102 SER C C 102 174.682 172.016 2.666 1
1 1144 . 15 1 1 A 103 103 PRO CA C 103 62.301 62.207 0.094 1
1 1145 . 15 1 1 A 103 103 PRO HA H 103 5.363 4.511 0.852 1
1 1146 . 15 1 1 A 103 103 PRO CB C 103 33.964 32.219 1.745 1
1 1152 . 15 1 1 A 103 103 PRO C C 103 176.438 175.376 1.062 1
1 1156 . 15 1 1 A 104 104 PHE N N 104 126.067 119.333 6.734 1
1 1157 . 15 1 1 A 104 104 PHE H H 104 9.449 8.017 1.432 1
1 1158 . 15 1 1 A 104 104 PHE CA C 104 57.102 57.389 -0.287 1
1 1159 . 15 1 1 A 104 104 PHE HA H 104 4.621 4.948 -0.327 1
1 1160 . 15 1 1 A 104 104 PHE CB C 104 40.656 41.386 -0.730 1
1 1170 . 15 1 1 A 104 104 PHE C C 104 176.313 175.262 1.051 1
1 1172 . 15 1 1 A 105 105 THR N N 105 118.402 116.664 1.738 1
1 1173 . 15 1 1 A 105 105 THR H H 105 8.842 9.003 -0.161 1
1 1174 . 15 1 1 A 105 105 THR CA C 105 62.018 61.888 0.130 1
1 1175 . 15 1 1 A 105 105 THR HA H 105 5.153 4.827 0.326 1
1 1176 . 15 1 1 A 105 105 THR CB C 105 70.095 69.519 0.576 1
1 1182 . 15 1 1 A 105 105 THR C C 105 172.525 173.699 -1.174 1
1 1183 . 15 1 1 A 106 106 ALA N N 106 131.132 130.024 1.108 1
1 1184 . 15 1 1 A 106 106 ALA H H 106 9.192 8.412 0.780 1
1 1185 . 15 1 1 A 106 106 ALA CA C 106 50.187 51.447 -1.260 1
1 1186 . 15 1 1 A 106 106 ALA HA H 106 4.435 4.955 -0.520 1
1 1187 . 15 1 1 A 106 106 ALA CB C 106 21.021 19.837 1.184 1
1 1191 . 15 1 1 A 106 106 ALA C C 106 176.136 176.585 -0.449 1
1 1192 . 15 1 1 A 107 107 LYS N N 107 122.751 125.084 -2.333 1
1 1193 . 15 1 1 A 107 107 LYS H H 107 7.746 8.403 -0.657 1
1 1194 . 15 1 1 A 107 107 LYS CA C 107 55.652 55.839 -0.187 1
1 1195 . 15 1 1 A 107 107 LYS HA H 107 4.797 4.644 0.153 1
1 1196 . 15 1 1 A 107 107 LYS CB C 107 32.606 32.514 0.092 1
1 1204 . 15 1 1 A 107 107 LYS C C 107 174.648 174.798 -0.150 1
1 1209 . 15 1 1 A 108 108 ILE N N 108 127.629 127.544 0.085 1
1 1210 . 15 1 1 A 108 108 ILE H H 108 9.024 8.571 0.453 1
1 1211 . 15 1 1 A 108 108 ILE CA C 108 56.801 60.896 -4.095 1
1 1212 . 15 1 1 A 108 108 ILE HA H 108 4.688 5.455 -0.767 1
1 1213 . 15 1 1 A 108 108 ILE CB C 108 35.101 39.602 -4.501 1
1 1225 . 15 1 1 A 108 108 ILE C C 108 178.159 175.248 2.911 1
1 1227 . 15 1 1 A 109 109 THR N N 109 121.563 120.390 1.173 1
1 1228 . 15 1 1 A 109 109 THR H H 109 8.861 8.563 0.298 1
1 1229 . 15 1 1 A 109 109 THR CA C 109 60.745 59.605 1.140 1
1 1230 . 15 1 1 A 109 109 THR HA H 109 4.778 4.947 -0.169 1
1 1231 . 15 1 1 A 109 109 THR CB C 109 71.067 71.101 -0.034 1
1 1237 . 15 1 1 A 109 109 THR C C 109 173.421 171.498 1.923 1
1 1238 . 15 1 1 A 110 110 ASP N N 110 119.526 123.991 -4.465 1
1 1239 . 15 1 1 A 110 110 ASP H H 110 8.631 8.901 -0.270 1
1 1240 . 15 1 1 A 110 110 ASP CA C 110 53.971 52.783 1.188 1
1 1241 . 15 1 1 A 110 110 ASP HA H 110 4.729 5.423 -0.694 1
1 1242 . 15 1 1 A 110 110 ASP CB C 110 42.087 44.640 -2.553 1
1 1244 . 15 1 1 A 110 110 ASP C C 110 176.124 175.298 0.826 1
1 1246 . 15 1 1 A 111 111 ASP N N 111 122.287 125.944 -3.657 1
1 1247 . 15 1 1 A 111 111 ASP H H 111 8.638 8.874 -0.236 1
1 1248 . 15 1 1 A 111 111 ASP CA C 111 54.042 53.209 0.833 1
1 1249 . 15 1 1 A 111 111 ASP HA H 111 4.644 5.127 -0.483 1
1 1250 . 15 1 1 A 111 111 ASP CB C 111 41.218 41.445 -0.227 1
1 1252 . 15 1 1 A 111 111 ASP C C 111 176.668 176.249 0.419 1
1 1254 . 15 1 1 A 112 112 SER N N 112 117.157 114.373 2.784 1
1 1255 . 15 1 1 A 112 112 SER H H 112 8.416 8.289 0.127 1
1 1256 . 15 1 1 A 112 112 SER CA C 112 59.277 60.212 -0.935 1
1 1257 . 15 1 1 A 112 112 SER HA H 112 4.348 4.604 -0.256 1
1 1258 . 15 1 1 A 112 112 SER CB C 112 63.943 64.969 -1.026 1
1 1260 . 15 1 1 A 112 112 SER C C 112 174.721 174.172 0.549 1
1 1262 . 15 1 1 A 113 113 ARG N N 113 122.178 120.628 1.550 1
1 1263 . 15 1 1 A 113 113 ARG H H 113 8.238 7.526 0.712 1
1 1264 . 15 1 1 A 113 113 ARG CA C 113 56.195 54.791 1.404 1
1 1265 . 15 1 1 A 113 113 ARG HA H 113 4.347 4.812 -0.465 1
1 1266 . 15 1 1 A 113 113 ARG CB C 113 30.470 31.862 -1.392 1
1 1271 . 15 1 1 A 113 113 ARG C C 113 176.207 175.083 1.124 1
1 1275 . 15 1 1 A 114 114 ARG N N 114 122.696 124.649 -1.953 1
1 1276 . 15 1 1 A 114 114 ARG H H 114 8.338 8.852 -0.514 1
1 1277 . 15 1 1 A 114 114 ARG CA C 114 56.164 55.405 0.759 1
1 1278 . 15 1 1 A 114 114 ARG HA H 114 4.390 5.070 -0.680 1
1 1279 . 15 1 1 A 114 114 ARG CB C 114 30.679 31.108 -0.429 1
1 1285 . 15 1 1 A 114 114 ARG C C 114 175.468 174.792 0.676 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 44.699 45.764 -1.065 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.124 4.289 -0.165 1
1 3 . 16 1 1 A 7 7 GLY HA2 H 7 4.124 4.289 -0.165 1
1 4 . 16 1 1 A 8 8 PRO CA C 8 63.321 62.715 0.606 1
1 5 . 16 1 1 A 8 8 PRO HA H 8 4.418 4.686 -0.268 1
1 6 . 16 1 1 A 8 8 PRO CB C 8 32.104 33.325 -1.221 1
1 12 . 16 1 1 A 8 8 PRO C C 8 177.159 175.402 1.757 1
1 16 . 16 1 1 A 9 9 GLU N N 9 120.837 119.487 1.350 1
1 17 . 16 1 1 A 9 9 GLU H H 9 8.612 8.521 0.091 1
1 18 . 16 1 1 A 9 9 GLU CA C 9 56.642 54.519 2.123 1
1 19 . 16 1 1 A 9 9 GLU HA H 9 4.282 4.946 -0.664 1
1 20 . 16 1 1 A 9 9 GLU CB C 9 30.181 34.549 -4.368 1
1 24 . 16 1 1 A 9 9 GLU C C 9 176.387 174.639 1.748 1
1 27 . 16 1 1 A 10 10 SER N N 10 117.776 113.819 3.957 1
1 28 . 16 1 1 A 10 10 SER H H 10 8.264 8.792 -0.528 1
1 29 . 16 1 1 A 10 10 SER CA C 10 56.382 55.165 1.217 1
1 30 . 16 1 1 A 10 10 SER HA H 10 4.763 5.119 -0.356 1
1 31 . 16 1 1 A 10 10 SER CB C 10 63.575 65.301 -1.726 1
1 33 . 16 1 1 A 10 10 SER C C 10 172.958 172.563 0.395 1
1 35 . 16 1 1 A 11 11 PRO CA C 11 63.404 62.299 1.105 1
1 36 . 16 1 1 A 11 11 PRO HA H 11 4.432 4.590 -0.158 1
1 37 . 16 1 1 A 11 11 PRO CB C 11 31.958 33.173 -1.215 1
1 43 . 16 1 1 A 11 11 PRO C C 11 176.922 175.730 1.192 1
1 47 . 16 1 1 A 12 12 LEU N N 12 121.245 115.957 5.288 1
1 48 . 16 1 1 A 12 12 LEU H H 12 8.172 8.312 -0.140 1
1 49 . 16 1 1 A 12 12 LEU CA C 12 55.521 52.727 2.794 1
1 50 . 16 1 1 A 12 12 LEU HA H 12 4.236 4.919 -0.683 1
1 51 . 16 1 1 A 12 12 LEU CB C 12 42.138 45.936 -3.798 1
1 63 . 16 1 1 A 12 12 LEU C C 12 177.236 174.922 2.314 1
1 65 . 16 1 1 A 13 13 GLN N N 13 120.086 118.975 1.111 1
1 66 . 16 1 1 A 13 13 GLN H H 13 8.098 8.255 -0.157 1
1 67 . 16 1 1 A 13 13 GLN CA C 13 55.785 54.580 1.205 1
1 68 . 16 1 1 A 13 13 GLN HA H 13 4.220 4.939 -0.719 1
1 69 . 16 1 1 A 13 13 GLN CB C 13 29.628 30.274 -0.646 1
1 76 . 16 1 1 A 13 13 GLN C C 13 175.243 174.389 0.854 1
1 79 . 16 1 1 A 14 14 PHE N N 14 120.461 119.130 1.331 1
1 80 . 16 1 1 A 14 14 PHE H H 14 8.056 8.678 -0.622 1
1 81 . 16 1 1 A 14 14 PHE CA C 14 57.739 56.583 1.156 1
1 82 . 16 1 1 A 14 14 PHE HA H 14 4.545 4.764 -0.219 1
1 83 . 16 1 1 A 14 14 PHE CB C 14 39.825 42.801 -2.976 1
1 95 . 16 1 1 A 14 14 PHE C C 14 175.022 174.215 0.807 1
1 97 . 16 1 1 A 15 15 TYR N N 15 121.213 122.738 -1.525 1
1 98 . 16 1 1 A 15 15 TYR H H 15 8.004 9.067 -1.063 1
1 99 . 16 1 1 A 15 15 TYR CA C 15 57.756 57.659 0.097 1
1 100 . 16 1 1 A 15 15 TYR HA H 15 4.506 5.011 -0.505 1
1 101 . 16 1 1 A 15 15 TYR CB C 15 39.012 39.888 -0.876 1
1 111 . 16 1 1 A 15 15 TYR C C 15 175.174 175.561 -0.387 1
1 113 . 16 1 1 A 16 16 VAL N N 16 121.693 116.862 4.831 1
1 114 . 16 1 1 A 16 16 VAL H H 16 7.900 9.012 -1.112 1
1 115 . 16 1 1 A 16 16 VAL CA C 16 62.248 60.038 2.210 1
1 116 . 16 1 1 A 16 16 VAL HA H 16 3.932 5.035 -1.103 1
1 117 . 16 1 1 A 16 16 VAL CB C 16 33.023 33.818 -0.795 1
1 127 . 16 1 1 A 16 16 VAL C C 16 175.016 174.621 0.395 1
1 128 . 16 1 1 A 17 17 ASN N N 17 121.488 122.224 -0.736 1
1 129 . 16 1 1 A 17 17 ASN H H 17 8.198 8.803 -0.605 1
1 130 . 16 1 1 A 17 17 ASN CA C 17 52.948 52.513 0.435 1
1 131 . 16 1 1 A 17 17 ASN HA H 17 4.630 5.418 -0.788 1
1 132 . 16 1 1 A 17 17 ASN CB C 17 39.289 41.818 -2.529 1
1 137 . 16 1 1 A 17 17 ASN C C 17 174.167 173.513 0.654 1
1 139 . 16 1 1 A 18 18 TYR N N 18 122.069 119.742 2.327 1
1 140 . 16 1 1 A 18 18 TYR H H 18 8.117 8.338 -0.221 1
1 141 . 16 1 1 A 18 18 TYR CA C 18 55.970 55.568 0.402 1
1 142 . 16 1 1 A 18 18 TYR HA H 18 4.771 5.119 -0.348 1
1 143 . 16 1 1 A 18 18 TYR CB C 18 38.260 39.581 -1.321 1
1 153 . 16 1 1 A 18 18 TYR C C 18 173.978 172.315 1.663 1
1 155 . 16 1 1 A 19 19 PRO CA C 19 63.378 63.139 0.239 1
1 156 . 16 1 1 A 19 19 PRO HA H 19 4.414 4.563 -0.149 1
1 157 . 16 1 1 A 19 19 PRO CB C 19 32.018 32.345 -0.327 1
1 163 . 16 1 1 A 19 19 PRO C C 19 176.659 175.750 0.909 1
1 167 . 16 1 1 A 20 20 ASN N N 20 118.582 119.293 -0.711 1
1 168 . 16 1 1 A 20 20 ASN H H 20 8.508 8.596 -0.088 1
1 169 . 16 1 1 A 20 20 ASN CA C 20 53.334 52.581 0.753 1
1 170 . 16 1 1 A 20 20 ASN HA H 20 4.756 5.330 -0.574 1
1 171 . 16 1 1 A 20 20 ASN CB C 20 38.964 40.281 -1.317 1
1 176 . 16 1 1 A 20 20 ASN C C 20 175.301 174.645 0.656 1
1 178 . 16 1 1 A 21 21 SER N N 21 115.989 116.550 -0.561 1
1 179 . 16 1 1 A 21 21 SER H H 21 8.360 8.891 -0.531 1
1 180 . 16 1 1 A 21 21 SER CA C 21 58.877 56.560 2.317 1
1 181 . 16 1 1 A 21 21 SER HA H 21 4.481 5.262 -0.781 1
1 182 . 16 1 1 A 21 21 SER CB C 21 63.988 66.454 -2.466 1
1 184 . 16 1 1 A 21 21 SER C C 21 175.006 173.706 1.300 1
1 186 . 16 1 1 A 22 22 GLY N N 22 110.974 108.003 2.971 1
1 187 . 16 1 1 A 22 22 GLY H H 22 8.523 8.498 0.025 1
1 188 . 16 1 1 A 22 22 GLY CA C 22 45.429 44.884 0.545 1
1 189 . 16 1 1 A 22 22 GLY HA3 H 22 4.074 4.309 -0.235 1
1 190 . 16 1 1 A 22 22 GLY C C 22 173.860 172.105 1.755 1
1 191 . 16 1 1 A 22 22 GLY HA2 H 22 4.074 4.304 -0.230 1
1 192 . 16 1 1 A 23 23 SER N N 23 115.179 117.834 -2.655 1
1 193 . 16 1 1 A 23 23 SER H H 23 8.190 9.063 -0.873 1
1 194 . 16 1 1 A 23 23 SER CA C 23 58.233 57.200 1.033 1
1 195 . 16 1 1 A 23 23 SER HA H 23 4.511 5.258 -0.747 1
1 196 . 16 1 1 A 23 23 SER CB C 23 64.511 66.207 -1.696 1
1 198 . 16 1 1 A 23 23 SER C C 23 173.263 172.751 0.512 1
1 200 . 16 1 1 A 24 24 VAL N N 24 122.289 121.601 0.688 1
1 201 . 16 1 1 A 24 24 VAL H H 24 7.889 8.763 -0.874 1
1 202 . 16 1 1 A 24 24 VAL CA C 24 61.754 61.027 0.727 1
1 203 . 16 1 1 A 24 24 VAL HA H 24 4.567 4.587 -0.020 1
1 204 . 16 1 1 A 24 24 VAL CB C 24 33.612 32.725 0.887 1
1 214 . 16 1 1 A 24 24 VAL C C 24 174.799 175.341 -0.542 1
1 215 . 16 1 1 A 25 25 SER N N 25 118.995 123.334 -4.339 1
1 216 . 16 1 1 A 25 25 SER H H 25 8.244 8.969 -0.725 1
1 217 . 16 1 1 A 25 25 SER CA C 25 57.102 57.306 -0.204 1
1 218 . 16 1 1 A 25 25 SER HA H 25 5.039 5.356 -0.317 1
1 219 . 16 1 1 A 25 25 SER CB C 25 66.338 66.284 0.054 1
1 221 . 16 1 1 A 25 25 SER C C 25 171.718 172.763 -1.045 1
1 223 . 16 1 1 A 26 26 ALA N N 26 121.537 126.008 -4.471 1
1 224 . 16 1 1 A 26 26 ALA H H 26 8.503 8.844 -0.341 1
1 225 . 16 1 1 A 26 26 ALA CA C 26 50.695 50.156 0.539 1
1 226 . 16 1 1 A 26 26 ALA HA H 26 5.637 5.420 0.217 1
1 227 . 16 1 1 A 26 26 ALA CB C 26 23.364 22.223 1.141 1
1 231 . 16 1 1 A 26 26 ALA C C 26 175.355 175.882 -0.527 1
1 232 . 16 1 1 A 27 27 TYR N N 27 116.588 118.087 -1.499 1
1 233 . 16 1 1 A 27 27 TYR H H 27 8.885 8.626 0.259 1
1 234 . 16 1 1 A 27 27 TYR CA C 27 57.013 55.488 1.525 1
1 235 . 16 1 1 A 27 27 TYR HA H 27 4.742 5.454 -0.712 1
1 236 . 16 1 1 A 27 27 TYR CB C 27 40.325 41.776 -1.451 1
1 246 . 16 1 1 A 27 27 TYR C C 27 172.990 173.909 -0.919 1
1 248 . 16 1 1 A 28 28 GLY N N 28 108.423 107.127 1.296 1
1 249 . 16 1 1 A 28 28 GLY H H 28 8.475 8.362 0.113 1
1 250 . 16 1 1 A 28 28 GLY CA C 28 44.439 45.243 -0.804 1
1 251 . 16 1 1 A 28 28 GLY HA3 H 28 4.141 4.278 -0.137 1
1 252 . 16 1 1 A 28 28 GLY C C 28 173.419 174.012 -0.593 1
1 253 . 16 1 1 A 28 28 GLY HA2 H 28 5.092 4.272 0.820 1
1 254 . 16 1 1 A 29 29 PRO CA C 29 65.537 63.963 1.574 1
1 255 . 16 1 1 A 29 29 PRO HA H 29 4.298 4.123 0.175 1
1 256 . 16 1 1 A 29 29 PRO CB C 29 31.509 31.790 -0.281 1
1 262 . 16 1 1 A 29 29 PRO C C 29 178.493 177.482 1.011 1
1 266 . 16 1 1 A 30 30 GLY N N 30 102.459 106.686 -4.227 1
1 267 . 16 1 1 A 30 30 GLY H H 30 8.655 8.362 0.293 1
1 268 . 16 1 1 A 30 30 GLY CA C 30 46.245 45.982 0.263 1
1 269 . 16 1 1 A 30 30 GLY HA3 H 30 3.417 4.138 -0.721 1
1 270 . 16 1 1 A 30 30 GLY C C 30 172.945 175.285 -2.340 1
1 271 . 16 1 1 A 30 30 GLY HA2 H 30 4.316 3.996 0.320 1
1 272 . 16 1 1 A 31 31 LEU N N 31 116.436 121.707 -5.271 1
1 273 . 16 1 1 A 31 31 LEU H H 31 7.049 7.477 -0.428 1
1 274 . 16 1 1 A 31 31 LEU CA C 31 55.368 57.293 -1.925 1
1 275 . 16 1 1 A 31 31 LEU HA H 31 3.784 3.787 -0.003 1
1 276 . 16 1 1 A 31 31 LEU CB C 31 42.148 41.778 0.370 1
1 288 . 16 1 1 A 31 31 LEU C C 31 175.321 178.746 -3.425 1
1 290 . 16 1 1 A 32 32 VAL N N 32 112.078 117.112 -5.034 1
1 291 . 16 1 1 A 32 32 VAL H H 32 7.739 6.886 0.853 1
1 292 . 16 1 1 A 32 32 VAL CA C 32 62.956 65.007 -2.051 1
1 293 . 16 1 1 A 32 32 VAL HA H 32 4.574 3.633 0.941 1
1 294 . 16 1 1 A 32 32 VAL CB C 32 35.415 31.672 3.743 1
1 304 . 16 1 1 A 32 32 VAL C C 32 176.810 175.718 1.092 1
1 305 . 16 1 1 A 33 33 TYR N N 33 121.116 116.184 4.932 1
1 306 . 16 1 1 A 33 33 TYR H H 33 8.638 7.309 1.329 1
1 307 . 16 1 1 A 33 33 TYR CA C 33 56.523 55.929 0.594 1
1 308 . 16 1 1 A 33 33 TYR HA H 33 5.639 4.979 0.660 1
1 309 . 16 1 1 A 33 33 TYR CB C 33 42.165 41.079 1.086 1
1 319 . 16 1 1 A 33 33 TYR C C 33 172.858 173.823 -0.965 1
1 321 . 16 1 1 A 34 34 GLY N N 34 107.313 106.922 0.391 1
1 322 . 16 1 1 A 34 34 GLY H H 34 7.637 8.558 -0.921 1
1 323 . 16 1 1 A 34 34 GLY CA C 34 44.721 45.832 -1.111 1
1 324 . 16 1 1 A 34 34 GLY HA3 H 34 3.793 4.451 -0.658 1
1 325 . 16 1 1 A 34 34 GLY C C 34 170.727 171.853 -1.126 1
1 326 . 16 1 1 A 34 34 GLY HA2 H 34 3.873 4.425 -0.552 1
1 327 . 16 1 1 A 35 35 VAL N N 35 120.853 119.647 1.206 1
1 328 . 16 1 1 A 35 35 VAL H H 35 8.731 8.391 0.340 1
1 329 . 16 1 1 A 35 35 VAL CA C 35 60.627 60.681 -0.054 1
1 330 . 16 1 1 A 35 35 VAL HA H 35 4.589 4.938 -0.349 1
1 331 . 16 1 1 A 35 35 VAL CB C 35 35.374 35.423 -0.049 1
1 341 . 16 1 1 A 35 35 VAL C C 35 174.813 175.012 -0.199 1
1 342 . 16 1 1 A 36 36 ALA N N 36 127.708 130.431 -2.723 1
1 343 . 16 1 1 A 36 36 ALA H H 36 8.482 8.534 -0.052 1
1 344 . 16 1 1 A 36 36 ALA CA C 36 53.332 53.047 0.285 1
1 345 . 16 1 1 A 36 36 ALA HA H 36 3.535 4.117 -0.582 1
1 346 . 16 1 1 A 36 36 ALA CB C 36 17.653 18.779 -1.126 1
1 350 . 16 1 1 A 36 36 ALA C C 36 176.968 178.215 -1.247 1
1 351 . 16 1 1 A 37 37 ASN N N 37 111.234 116.695 -5.461 1
1 352 . 16 1 1 A 37 37 ASN H H 37 9.147 8.740 0.407 1
1 353 . 16 1 1 A 37 37 ASN CA C 37 55.728 54.401 1.327 1
1 354 . 16 1 1 A 37 37 ASN HA H 37 3.962 4.264 -0.302 1
1 355 . 16 1 1 A 37 37 ASN CB C 37 37.147 37.154 -0.007 1
1 360 . 16 1 1 A 37 37 ASN C C 37 173.119 173.872 -0.753 1
1 362 . 16 1 1 A 38 38 LYS N N 38 119.100 117.776 1.324 1
1 363 . 16 1 1 A 38 38 LYS H H 38 7.972 7.626 0.346 1
1 364 . 16 1 1 A 38 38 LYS CA C 38 54.306 55.569 -1.263 1
1 365 . 16 1 1 A 38 38 LYS HA H 38 4.606 4.629 -0.023 1
1 366 . 16 1 1 A 38 38 LYS CB C 38 34.799 35.678 -0.879 1
1 374 . 16 1 1 A 38 38 LYS C C 38 175.533 174.484 1.049 1
1 379 . 16 1 1 A 39 39 THR N N 39 114.730 116.476 -1.746 1
1 380 . 16 1 1 A 39 39 THR H H 39 8.158 8.510 -0.352 1
1 381 . 16 1 1 A 39 39 THR CA C 39 63.302 62.301 1.001 1
1 382 . 16 1 1 A 39 39 THR HA H 39 4.138 4.158 -0.020 1
1 383 . 16 1 1 A 39 39 THR CB C 39 69.652 69.720 -0.068 1
1 389 . 16 1 1 A 39 39 THR C C 39 174.281 174.016 0.265 1
1 390 . 16 1 1 A 40 40 ALA N N 40 129.891 124.209 5.682 1
1 391 . 16 1 1 A 40 40 ALA H H 40 8.750 8.199 0.551 1
1 392 . 16 1 1 A 40 40 ALA CA C 40 50.399 52.036 -1.637 1
1 393 . 16 1 1 A 40 40 ALA HA H 40 4.702 4.906 -0.204 1
1 394 . 16 1 1 A 40 40 ALA CB C 40 20.495 20.447 0.048 1
1 398 . 16 1 1 A 40 40 ALA C C 40 176.039 175.166 0.873 1
1 399 . 16 1 1 A 41 41 THR N N 41 112.902 117.289 -4.387 1
1 400 . 16 1 1 A 41 41 THR H H 41 8.536 8.942 -0.406 1
1 401 . 16 1 1 A 41 41 THR CA C 41 59.688 59.353 0.335 1
1 402 . 16 1 1 A 41 41 THR HA H 41 5.779 5.176 0.603 1
1 403 . 16 1 1 A 41 41 THR CB C 41 72.348 71.907 0.441 1
1 409 . 16 1 1 A 41 41 THR C C 41 173.286 172.614 0.672 1
1 410 . 16 1 1 A 42 42 PHE N N 42 119.525 119.064 0.461 1
1 411 . 16 1 1 A 42 42 PHE H H 42 8.825 7.931 0.894 1
1 412 . 16 1 1 A 42 42 PHE CA C 42 57.031 55.684 1.347 1
1 413 . 16 1 1 A 42 42 PHE HA H 42 5.013 5.340 -0.327 1
1 414 . 16 1 1 A 42 42 PHE CB C 42 40.155 41.822 -1.667 1
1 426 . 16 1 1 A 42 42 PHE C C 42 171.282 172.281 -0.999 1
1 428 . 16 1 1 A 43 43 THR N N 43 117.427 114.069 3.358 1
1 429 . 16 1 1 A 43 43 THR H H 43 9.210 8.580 0.630 1
1 430 . 16 1 1 A 43 43 THR CA C 43 62.250 61.035 1.215 1
1 431 . 16 1 1 A 43 43 THR HA H 43 4.987 4.989 -0.002 1
1 432 . 16 1 1 A 43 43 THR CB C 43 71.510 71.124 0.386 1
1 438 . 16 1 1 A 43 43 THR C C 43 173.061 173.026 0.035 1
1 439 . 16 1 1 A 44 44 ILE N N 44 123.638 125.394 -1.756 1
1 440 . 16 1 1 A 44 44 ILE H H 44 8.859 8.594 0.265 1
1 441 . 16 1 1 A 44 44 ILE CA C 44 59.843 59.710 0.133 1
1 442 . 16 1 1 A 44 44 ILE HA H 44 4.824 4.451 0.373 1
1 443 . 16 1 1 A 44 44 ILE CB C 44 40.866 41.107 -0.241 1
1 455 . 16 1 1 A 44 44 ILE C C 44 174.707 174.962 -0.255 1
1 457 . 16 1 1 A 45 45 VAL N N 45 128.904 129.250 -0.346 1
1 458 . 16 1 1 A 45 45 VAL H H 45 9.299 8.492 0.807 1
1 459 . 16 1 1 A 45 45 VAL CA C 45 62.119 62.773 -0.654 1
1 460 . 16 1 1 A 45 45 VAL HA H 45 4.492 4.422 0.070 1
1 461 . 16 1 1 A 45 45 VAL CB C 45 32.683 32.633 0.050 1
1 471 . 16 1 1 A 45 45 VAL C C 45 175.606 174.865 0.741 1
1 472 . 16 1 1 A 46 46 THR N N 46 117.412 118.888 -1.476 1
1 473 . 16 1 1 A 46 46 THR H H 46 8.434 7.888 0.546 1
1 474 . 16 1 1 A 46 46 THR CA C 46 60.650 60.716 -0.066 1
1 475 . 16 1 1 A 46 46 THR HA H 46 4.505 4.985 -0.480 1
1 476 . 16 1 1 A 46 46 THR CB C 46 69.432 71.256 -1.824 1
1 482 . 16 1 1 A 46 46 THR C C 46 174.882 172.515 2.367 1
1 483 . 16 1 1 A 47 47 GLU N N 47 122.657 125.405 -2.748 1
1 484 . 16 1 1 A 47 47 GLU H H 47 8.052 8.918 -0.866 1
1 485 . 16 1 1 A 47 47 GLU CA C 47 57.419 54.826 2.593 1
1 486 . 16 1 1 A 47 47 GLU HA H 47 4.231 4.775 -0.544 1
1 487 . 16 1 1 A 47 47 GLU CB C 47 30.281 31.032 -0.751 1
1 491 . 16 1 1 A 47 47 GLU C C 47 175.887 176.436 -0.549 1
1 494 . 16 1 1 A 48 48 ASP N N 48 120.269 123.663 -3.394 1
1 495 . 16 1 1 A 48 48 ASP H H 48 8.536 8.980 -0.444 1
1 496 . 16 1 1 A 48 48 ASP CA C 48 54.396 54.948 -0.552 1
1 497 . 16 1 1 A 48 48 ASP HA H 48 4.638 4.354 0.284 1
1 498 . 16 1 1 A 48 48 ASP CB C 48 40.979 39.230 1.749 1
1 500 . 16 1 1 A 48 48 ASP C C 48 175.709 176.330 -0.621 1
1 502 . 16 1 1 A 49 49 ALA N N 49 122.506 120.362 2.144 1
1 503 . 16 1 1 A 49 49 ALA H H 49 8.109 8.496 -0.387 1
1 504 . 16 1 1 A 49 49 ALA CA C 49 52.774 51.690 1.084 1
1 505 . 16 1 1 A 49 49 ALA HA H 49 4.195 4.479 -0.284 1
1 506 . 16 1 1 A 49 49 ALA CB C 49 19.343 19.480 -0.137 1
1 510 . 16 1 1 A 49 49 ALA C C 49 178.316 177.128 1.188 1
1 511 . 16 1 1 A 50 50 GLY N N 50 107.563 106.869 0.694 1
1 512 . 16 1 1 A 50 50 GLY H H 50 8.269 7.475 0.794 1
1 513 . 16 1 1 A 50 50 GLY CA C 50 45.288 45.635 -0.347 1
1 514 . 16 1 1 A 50 50 GLY HA3 H 50 3.993 4.148 -0.155 1
1 515 . 16 1 1 A 50 50 GLY C C 50 174.421 172.243 2.178 1
1 516 . 16 1 1 A 50 50 GLY HA2 H 50 3.993 4.070 -0.077 1
1 517 . 16 1 1 A 51 51 GLU N N 51 121.358 120.698 0.660 1
1 518 . 16 1 1 A 51 51 GLU H H 51 8.519 8.253 0.266 1
1 519 . 16 1 1 A 51 51 GLU CA C 51 56.890 55.100 1.790 1
1 520 . 16 1 1 A 51 51 GLU HA H 51 4.309 4.425 -0.116 1
1 521 . 16 1 1 A 51 51 GLU CB C 51 30.204 28.770 1.434 1
1 525 . 16 1 1 A 51 51 GLU C C 51 177.003 176.121 0.882 1
1 528 . 16 1 1 A 52 52 GLY N N 52 109.575 109.098 0.477 1
1 529 . 16 1 1 A 52 52 GLY H H 52 8.349 7.903 0.446 1
1 530 . 16 1 1 A 52 52 GLY CA C 52 45.571 46.865 -1.294 1
1 531 . 16 1 1 A 52 52 GLY HA3 H 52 3.895 3.845 0.050 1
1 532 . 16 1 1 A 52 52 GLY C C 52 173.666 173.861 -0.195 1
1 533 . 16 1 1 A 52 52 GLY HA2 H 52 3.810 3.827 -0.017 1
1 534 . 16 1 1 A 53 53 GLY N N 53 106.657 109.195 -2.538 1
1 535 . 16 1 1 A 53 53 GLY H H 53 7.893 7.899 -0.006 1
1 536 . 16 1 1 A 53 53 GLY CA C 53 45.199 45.481 -0.282 1
1 537 . 16 1 1 A 53 53 GLY HA3 H 53 3.613 4.099 -0.486 1
1 538 . 16 1 1 A 53 53 GLY C C 53 173.414 171.643 1.771 1
1 539 . 16 1 1 A 53 53 GLY HA2 H 53 4.036 4.031 0.005 1
1 540 . 16 1 1 A 54 54 LEU N N 54 124.121 127.259 -3.138 1
1 541 . 16 1 1 A 54 54 LEU H H 54 8.241 9.005 -0.764 1
1 542 . 16 1 1 A 54 54 LEU CA C 54 54.528 53.566 0.962 1
1 543 . 16 1 1 A 54 54 LEU HA H 54 5.056 5.386 -0.330 1
1 544 . 16 1 1 A 54 54 LEU CB C 54 44.325 45.584 -1.259 1
1 556 . 16 1 1 A 54 54 LEU C C 54 176.080 174.115 1.965 1
1 558 . 16 1 1 A 55 55 ASP N N 55 126.024 126.114 -0.090 1
1 559 . 16 1 1 A 55 55 ASP H H 55 8.981 9.099 -0.118 1
1 560 . 16 1 1 A 55 55 ASP CA C 55 54.095 52.821 1.274 1
1 561 . 16 1 1 A 55 55 ASP HA H 55 4.879 5.398 -0.519 1
1 562 . 16 1 1 A 55 55 ASP CB C 55 44.582 43.524 1.058 1
1 564 . 16 1 1 A 55 55 ASP C C 55 173.601 174.549 -0.948 1
1 566 . 16 1 1 A 56 56 LEU N N 56 125.098 127.350 -2.252 1
1 567 . 16 1 1 A 56 56 LEU H H 56 8.300 9.131 -0.831 1
1 568 . 16 1 1 A 56 56 LEU CA C 56 53.221 53.397 -0.176 1
1 569 . 16 1 1 A 56 56 LEU HA H 56 5.422 5.370 0.052 1
1 570 . 16 1 1 A 56 56 LEU CB C 56 46.028 46.691 -0.663 1
1 582 . 16 1 1 A 56 56 LEU C C 56 175.700 174.570 1.130 1
1 584 . 16 1 1 A 57 57 ALA N N 57 125.664 125.632 0.032 1
1 585 . 16 1 1 A 57 57 ALA H H 57 8.840 8.352 0.488 1
1 586 . 16 1 1 A 57 57 ALA CA C 57 51.851 52.133 -0.282 1
1 587 . 16 1 1 A 57 57 ALA HA H 57 4.600 4.888 -0.288 1
1 588 . 16 1 1 A 57 57 ALA CB C 57 22.862 21.768 1.094 1
1 592 . 16 1 1 A 57 57 ALA C C 57 174.504 175.673 -1.169 1
1 593 . 16 1 1 A 58 58 ILE N N 58 119.429 123.241 -3.812 1
1 594 . 16 1 1 A 58 58 ILE H H 58 8.617 8.751 -0.134 1
1 595 . 16 1 1 A 58 58 ILE CA C 58 60.143 59.652 0.491 1
1 596 . 16 1 1 A 58 58 ILE HA H 58 5.272 5.023 0.249 1
1 597 . 16 1 1 A 58 58 ILE CB C 58 41.068 40.016 1.052 1
1 609 . 16 1 1 A 58 58 ILE C C 58 175.328 175.067 0.261 1
1 611 . 16 1 1 A 59 59 GLU N N 59 128.665 123.812 4.853 1
1 612 . 16 1 1 A 59 59 GLU H H 59 9.315 8.871 0.444 1
1 613 . 16 1 1 A 59 59 GLU CA C 59 54.166 54.765 -0.599 1
1 614 . 16 1 1 A 59 59 GLU HA H 59 4.920 5.180 -0.260 1
1 615 . 16 1 1 A 59 59 GLU CB C 59 32.698 33.789 -1.091 1
1 619 . 16 1 1 A 59 59 GLU C C 59 175.108 175.857 -0.749 1
1 622 . 16 1 1 A 60 60 GLY N N 60 110.929 109.092 1.837 1
1 623 . 16 1 1 A 60 60 GLY H H 60 8.427 8.406 0.021 1
1 624 . 16 1 1 A 60 60 GLY CA C 60 45.608 45.199 0.409 1
1 625 . 16 1 1 A 60 60 GLY HA3 H 60 3.927 4.102 -0.175 1
1 626 . 16 1 1 A 60 60 GLY C C 60 171.379 174.364 -2.985 1
1 627 . 16 1 1 A 60 60 GLY HA2 H 60 3.531 3.951 -0.420 1
1 628 . 16 1 1 A 61 61 PRO CA C 61 64.103 64.297 -0.194 1
1 629 . 16 1 1 A 61 61 PRO HA H 61 4.270 4.373 -0.103 1
1 630 . 16 1 1 A 61 61 PRO CB C 61 32.206 32.044 0.162 1
1 636 . 16 1 1 A 61 61 PRO C C 61 176.075 176.174 -0.099 1
1 640 . 16 1 1 A 62 62 SER N N 62 108.474 114.268 -5.794 1
1 641 . 16 1 1 A 62 62 SER H H 62 7.099 7.788 -0.689 1
1 642 . 16 1 1 A 62 62 SER CA C 62 56.398 57.148 -0.750 1
1 643 . 16 1 1 A 62 62 SER HA H 62 4.655 4.933 -0.278 1
1 644 . 16 1 1 A 62 62 SER CB C 62 67.457 66.222 1.235 1
1 646 . 16 1 1 A 62 62 SER C C 62 172.805 172.936 -0.131 1
1 648 . 16 1 1 A 63 63 LYS N N 63 122.679 123.130 -0.451 1
1 649 . 16 1 1 A 63 63 LYS H H 63 8.653 8.776 -0.123 1
1 650 . 16 1 1 A 63 63 LYS CA C 63 55.822 54.847 0.975 1
1 651 . 16 1 1 A 63 63 LYS HA H 63 4.449 4.883 -0.434 1
1 652 . 16 1 1 A 63 63 LYS CB C 63 31.384 34.206 -2.822 1
1 660 . 16 1 1 A 63 63 LYS C C 63 175.601 174.708 0.893 1
1 665 . 16 1 1 A 64 64 ALA N N 64 130.710 129.273 1.437 1
1 666 . 16 1 1 A 64 64 ALA H H 64 8.690 8.832 -0.142 1
1 667 . 16 1 1 A 64 64 ALA CA C 64 51.425 50.544 0.881 1
1 668 . 16 1 1 A 64 64 ALA HA H 64 4.578 5.242 -0.664 1
1 669 . 16 1 1 A 64 64 ALA CB C 64 19.803 21.029 -1.226 1
1 673 . 16 1 1 A 64 64 ALA C C 64 176.395 177.232 -0.837 1
1 674 . 16 1 1 A 65 65 GLU N N 65 123.534 120.090 3.444 1
1 675 . 16 1 1 A 65 65 GLU H H 65 8.397 8.469 -0.072 1
1 676 . 16 1 1 A 65 65 GLU CA C 65 56.854 55.141 1.713 1
1 677 . 16 1 1 A 65 65 GLU HA H 65 4.278 4.550 -0.272 1
1 678 . 16 1 1 A 65 65 GLU CB C 65 30.346 30.837 -0.491 1
1 682 . 16 1 1 A 65 65 GLU C C 65 176.381 175.678 0.703 1
1 685 . 16 1 1 A 66 66 ILE N N 66 124.380 120.724 3.656 1
1 686 . 16 1 1 A 66 66 ILE H H 66 8.541 8.554 -0.013 1
1 687 . 16 1 1 A 66 66 ILE CA C 66 60.568 60.525 0.043 1
1 688 . 16 1 1 A 66 66 ILE HA H 66 4.865 4.863 0.002 1
1 689 . 16 1 1 A 66 66 ILE CB C 66 41.804 41.029 0.775 1
1 701 . 16 1 1 A 66 66 ILE C C 66 175.421 174.842 0.579 1
1 703 . 16 1 1 A 67 67 SER N N 67 122.057 125.422 -3.365 1
1 704 . 16 1 1 A 67 67 SER H H 67 9.035 9.027 0.008 1
1 705 . 16 1 1 A 67 67 SER CA C 67 56.908 57.054 -0.146 1
1 706 . 16 1 1 A 67 67 SER HA H 67 4.729 4.867 -0.138 1
1 707 . 16 1 1 A 67 67 SER CB C 67 64.980 63.280 1.700 1
1 709 . 16 1 1 A 67 67 SER C C 67 172.294 173.237 -0.943 1
1 711 . 16 1 1 A 68 68 CYS N N 68 124.699 120.736 3.963 1
1 712 . 16 1 1 A 68 68 CYS H H 68 8.732 7.992 0.740 1
1 713 . 16 1 1 A 68 68 CYS CA C 68 57.310 59.651 -2.341 1
1 714 . 16 1 1 A 68 68 CYS HA H 68 5.038 4.489 0.549 1
1 715 . 16 1 1 A 68 68 CYS CB C 68 28.380 28.127 0.253 1
1 717 . 16 1 1 A 68 68 CYS C C 68 173.135 174.769 -1.634 1
1 719 . 16 1 1 A 69 69 ILE N N 69 128.680 123.501 5.179 1
1 720 . 16 1 1 A 69 69 ILE H H 69 8.757 8.902 -0.145 1
1 721 . 16 1 1 A 69 69 ILE CA C 69 59.153 60.084 -0.931 1
1 722 . 16 1 1 A 69 69 ILE HA H 69 4.350 4.588 -0.238 1
1 723 . 16 1 1 A 69 69 ILE CB C 69 40.750 41.661 -0.911 1
1 735 . 16 1 1 A 69 69 ILE C C 69 174.363 173.962 0.401 1
1 737 . 16 1 1 A 70 70 ASP N N 70 126.290 127.888 -1.598 1
1 738 . 16 1 1 A 70 70 ASP H H 70 8.596 8.855 -0.259 1
1 739 . 16 1 1 A 70 70 ASP CA C 70 53.671 52.685 0.986 1
1 740 . 16 1 1 A 70 70 ASP HA H 70 4.892 5.254 -0.362 1
1 741 . 16 1 1 A 70 70 ASP CB C 70 41.069 42.850 -1.781 1
1 743 . 16 1 1 A 70 70 ASP C C 70 176.812 175.738 1.074 1
1 745 . 16 1 1 A 71 71 ASN N N 71 125.163 123.775 1.388 1
1 746 . 16 1 1 A 71 71 ASN H H 71 8.745 8.709 0.036 1
1 747 . 16 1 1 A 71 71 ASN CA C 71 54.626 50.893 3.733 1
1 748 . 16 1 1 A 71 71 ASN HA H 71 4.647 5.122 -0.475 1
1 749 . 16 1 1 A 71 71 ASN CB C 71 38.688 39.867 -1.179 1
1 754 . 16 1 1 A 71 71 ASN C C 71 175.657 176.120 -0.463 1
1 756 . 16 1 1 A 72 72 LYS N N 72 114.425 117.709 -3.284 1
1 757 . 16 1 1 A 72 72 LYS H H 72 9.407 8.505 0.902 1
1 758 . 16 1 1 A 72 72 LYS CA C 72 57.535 56.905 0.630 1
1 759 . 16 1 1 A 72 72 LYS HA H 72 4.028 4.633 -0.605 1
1 760 . 16 1 1 A 72 72 LYS CB C 72 28.393 32.910 -4.517 1
1 768 . 16 1 1 A 72 72 LYS C C 72 175.123 177.240 -2.117 1
1 773 . 16 1 1 A 73 73 ASP N N 73 117.581 117.875 -0.294 1
1 774 . 16 1 1 A 73 73 ASP H H 73 7.881 7.875 0.006 1
1 775 . 16 1 1 A 73 73 ASP CA C 73 52.274 54.175 -1.901 1
1 776 . 16 1 1 A 73 73 ASP HA H 73 4.769 4.616 0.153 1
1 777 . 16 1 1 A 73 73 ASP CB C 73 41.210 41.287 -0.077 1
1 779 . 16 1 1 A 73 73 ASP C C 73 177.197 176.223 0.974 1
1 781 . 16 1 1 A 74 74 GLY N N 74 109.385 106.198 3.187 1
1 782 . 16 1 1 A 74 74 GLY H H 74 8.781 8.141 0.640 1
1 783 . 16 1 1 A 74 74 GLY CA C 74 45.179 45.020 0.159 1
1 784 . 16 1 1 A 74 74 GLY HA3 H 74 3.673 4.009 -0.336 1
1 785 . 16 1 1 A 74 74 GLY C C 74 173.671 173.954 -0.283 1
1 786 . 16 1 1 A 74 74 GLY HA2 H 74 4.469 4.009 0.460 1
1 787 . 16 1 1 A 75 75 THR N N 75 110.220 110.621 -0.401 1
1 788 . 16 1 1 A 75 75 THR H H 75 8.179 8.085 0.094 1
1 789 . 16 1 1 A 75 75 THR CA C 75 59.843 59.375 0.468 1
1 790 . 16 1 1 A 75 75 THR HA H 75 5.678 4.940 0.738 1
1 791 . 16 1 1 A 75 75 THR CB C 75 73.810 71.867 1.943 1
1 797 . 16 1 1 A 75 75 THR C C 75 173.912 173.058 0.854 1
1 798 . 16 1 1 A 76 76 CYS N N 76 117.252 120.097 -2.845 1
1 799 . 16 1 1 A 76 76 CYS H H 76 9.295 9.292 0.003 1
1 800 . 16 1 1 A 76 76 CYS CA C 76 56.716 57.808 -1.092 1
1 801 . 16 1 1 A 76 76 CYS HA H 76 5.517 5.207 0.310 1
1 802 . 16 1 1 A 76 76 CYS CB C 76 31.176 30.110 1.066 1
1 804 . 16 1 1 A 76 76 CYS C C 76 174.083 173.367 0.716 1
1 806 . 16 1 1 A 77 77 THR N N 77 121.477 122.113 -0.636 1
1 807 . 16 1 1 A 77 77 THR H H 77 9.137 8.393 0.744 1
1 808 . 16 1 1 A 77 77 THR CA C 77 62.565 62.217 0.348 1
1 809 . 16 1 1 A 77 77 THR HA H 77 4.592 4.844 -0.252 1
1 810 . 16 1 1 A 77 77 THR CB C 77 70.447 70.479 -0.032 1
1 816 . 16 1 1 A 77 77 THR C C 77 173.469 173.623 -0.154 1
1 817 . 16 1 1 A 78 78 VAL N N 78 131.586 125.123 6.463 1
1 818 . 16 1 1 A 78 78 VAL H H 78 9.099 7.959 1.140 1
1 819 . 16 1 1 A 78 78 VAL CA C 78 60.604 60.731 -0.127 1
1 820 . 16 1 1 A 78 78 VAL HA H 78 4.672 4.563 0.109 1
1 821 . 16 1 1 A 78 78 VAL CB C 78 32.061 33.777 -1.716 1
1 831 . 16 1 1 A 78 78 VAL C C 78 174.618 174.655 -0.037 1
1 832 . 16 1 1 A 79 79 THR N N 79 120.071 122.750 -2.679 1
1 833 . 16 1 1 A 79 79 THR H H 79 8.782 8.717 0.065 1
1 834 . 16 1 1 A 79 79 THR CA C 79 59.685 62.319 -2.634 1
1 835 . 16 1 1 A 79 79 THR HA H 79 5.424 4.908 0.516 1
1 836 . 16 1 1 A 79 79 THR CB C 79 71.374 70.317 1.057 1
1 842 . 16 1 1 A 79 79 THR C C 79 173.250 173.377 -0.127 1
1 843 . 16 1 1 A 80 80 TYR N N 80 120.212 122.475 -2.263 1
1 844 . 16 1 1 A 80 80 TYR H H 80 9.132 8.198 0.934 1
1 845 . 16 1 1 A 80 80 TYR CA C 80 55.554 55.922 -0.368 1
1 846 . 16 1 1 A 80 80 TYR HA H 80 5.686 5.568 0.118 1
1 847 . 16 1 1 A 80 80 TYR CB C 80 42.143 42.279 -0.136 1
1 857 . 16 1 1 A 80 80 TYR C C 80 172.856 172.572 0.284 1
1 859 . 16 1 1 A 81 81 LEU N N 81 121.355 123.228 -1.873 1
1 860 . 16 1 1 A 81 81 LEU H H 81 7.729 8.956 -1.227 1
1 861 . 16 1 1 A 81 81 LEU CA C 81 50.912 51.255 -0.343 1
1 862 . 16 1 1 A 81 81 LEU HA H 81 4.991 4.636 0.355 1
1 863 . 16 1 1 A 81 81 LEU CB C 81 43.636 45.079 -1.443 1
1 875 . 16 1 1 A 81 81 LEU C C 81 172.982 175.110 -2.128 1
1 877 . 16 1 1 A 82 82 PRO CA C 82 61.629 62.670 -1.041 1
1 878 . 16 1 1 A 82 82 PRO HA H 82 4.587 4.799 -0.212 1
1 879 . 16 1 1 A 82 82 PRO CB C 82 32.091 32.928 -0.837 1
1 885 . 16 1 1 A 82 82 PRO C C 82 177.683 177.020 0.663 1
1 889 . 16 1 1 A 83 83 THR N N 83 112.637 113.675 -1.038 1
1 890 . 16 1 1 A 83 83 THR H H 83 8.438 8.656 -0.218 1
1 891 . 16 1 1 A 83 83 THR CA C 83 62.207 62.677 -0.470 1
1 892 . 16 1 1 A 83 83 THR HA H 83 4.305 4.500 -0.195 1
1 893 . 16 1 1 A 83 83 THR CB C 83 69.155 69.780 -0.625 1
1 899 . 16 1 1 A 83 83 THR C C 83 173.582 174.497 -0.915 1
1 900 . 16 1 1 A 84 84 LEU N N 84 118.186 120.113 -1.927 1
1 901 . 16 1 1 A 84 84 LEU H H 84 6.839 7.678 -0.839 1
1 902 . 16 1 1 A 84 84 LEU CA C 84 51.513 51.691 -0.178 1
1 903 . 16 1 1 A 84 84 LEU HA H 84 4.976 4.915 0.061 1
1 904 . 16 1 1 A 84 84 LEU CB C 84 45.838 45.938 -0.100 1
1 916 . 16 1 1 A 84 84 LEU C C 84 175.119 174.330 0.789 1
1 918 . 16 1 1 A 85 85 PRO CA C 85 62.660 63.133 -0.473 1
1 919 . 16 1 1 A 85 85 PRO HA H 85 4.347 4.883 -0.536 1
1 920 . 16 1 1 A 85 85 PRO CB C 85 32.801 31.606 1.195 1
1 926 . 16 1 1 A 85 85 PRO C C 85 174.117 176.295 -2.178 1
1 930 . 16 1 1 A 86 86 GLY N N 86 106.704 108.908 -2.204 1
1 931 . 16 1 1 A 86 86 GLY H H 86 9.065 7.988 1.077 1
1 932 . 16 1 1 A 86 86 GLY CA C 86 44.520 45.616 -1.096 1
1 933 . 16 1 1 A 86 86 GLY HA3 H 86 3.838 4.118 -0.280 1
1 934 . 16 1 1 A 86 86 GLY C C 86 171.468 172.706 -1.238 1
1 935 . 16 1 1 A 86 86 GLY HA2 H 86 4.408 4.014 0.394 1
1 936 . 16 1 1 A 87 87 ASP N N 87 120.573 119.550 1.023 1
1 937 . 16 1 1 A 87 87 ASP H H 87 8.275 8.284 -0.009 1
1 938 . 16 1 1 A 87 87 ASP CA C 87 53.500 53.465 0.035 1
1 939 . 16 1 1 A 87 87 ASP HA H 87 5.498 4.759 0.739 1
1 940 . 16 1 1 A 87 87 ASP CB C 87 40.877 39.974 0.903 1
1 942 . 16 1 1 A 87 87 ASP C C 87 176.069 175.367 0.702 1
1 944 . 16 1 1 A 88 88 TYR N N 88 124.115 125.194 -1.079 1
1 945 . 16 1 1 A 88 88 TYR H H 88 9.510 8.388 1.122 1
1 946 . 16 1 1 A 88 88 TYR CA C 88 56.667 57.656 -0.989 1
1 947 . 16 1 1 A 88 88 TYR HA H 88 4.983 4.942 0.041 1
1 948 . 16 1 1 A 88 88 TYR CB C 88 39.633 39.044 0.589 1
1 958 . 16 1 1 A 88 88 TYR C C 88 174.533 175.291 -0.758 1
1 960 . 16 1 1 A 89 89 SER N N 89 118.331 121.130 -2.799 1
1 961 . 16 1 1 A 89 89 SER H H 89 9.200 9.296 -0.096 1
1 962 . 16 1 1 A 89 89 SER CA C 89 56.737 58.265 -1.528 1
1 963 . 16 1 1 A 89 89 SER HA H 89 5.346 4.717 0.629 1
1 964 . 16 1 1 A 89 89 SER CB C 89 64.421 62.853 1.568 1
1 966 . 16 1 1 A 89 89 SER C C 89 173.462 173.798 -0.336 1
1 968 . 16 1 1 A 90 90 ILE N N 90 127.805 127.041 0.764 1
1 969 . 16 1 1 A 90 90 ILE H H 90 9.536 8.489 1.047 1
1 970 . 16 1 1 A 90 90 ILE CA C 90 61.209 61.295 -0.086 1
1 971 . 16 1 1 A 90 90 ILE HA H 90 4.505 4.391 0.114 1
1 972 . 16 1 1 A 90 90 ILE CB C 90 39.225 37.815 1.410 1
1 984 . 16 1 1 A 90 90 ILE C C 90 174.259 175.450 -1.191 1
1 986 . 16 1 1 A 91 91 LEU N N 91 129.968 128.151 1.817 1
1 987 . 16 1 1 A 91 91 LEU H H 91 9.354 8.919 0.435 1
1 988 . 16 1 1 A 91 91 LEU CA C 91 55.510 53.394 2.116 1
1 989 . 16 1 1 A 91 91 LEU HA H 91 4.774 5.329 -0.555 1
1 990 . 16 1 1 A 91 91 LEU CB C 91 42.674 44.103 -1.429 1
1 1002 . 16 1 1 A 91 91 LEU C C 91 175.517 175.777 -0.260 1
1 1004 . 16 1 1 A 92 92 VAL N N 92 124.859 124.418 0.441 1
1 1005 . 16 1 1 A 92 92 VAL H H 92 9.431 9.081 0.350 1
1 1006 . 16 1 1 A 92 92 VAL CA C 92 61.488 61.292 0.196 1
1 1007 . 16 1 1 A 92 92 VAL HA H 92 4.626 5.136 -0.510 1
1 1008 . 16 1 1 A 92 92 VAL CB C 92 33.437 34.856 -1.419 1
1 1018 . 16 1 1 A 92 92 VAL C C 92 173.589 174.021 -0.432 1
1 1019 . 16 1 1 A 93 93 LYS N N 93 123.909 129.619 -5.710 1
1 1020 . 16 1 1 A 93 93 LYS H H 93 8.660 9.344 -0.684 1
1 1021 . 16 1 1 A 93 93 LYS CA C 93 53.953 54.322 -0.369 1
1 1022 . 16 1 1 A 93 93 LYS HA H 93 5.017 5.030 -0.013 1
1 1023 . 16 1 1 A 93 93 LYS CB C 93 36.475 35.901 0.574 1
1 1031 . 16 1 1 A 93 93 LYS C C 93 174.746 173.671 1.075 1
1 1036 . 16 1 1 A 94 94 TYR N N 94 120.499 127.260 -6.761 1
1 1037 . 16 1 1 A 94 94 TYR H H 94 8.821 9.170 -0.349 1
1 1038 . 16 1 1 A 94 94 TYR CA C 94 56.438 57.676 -1.238 1
1 1039 . 16 1 1 A 94 94 TYR HA H 94 5.161 4.892 0.269 1
1 1040 . 16 1 1 A 94 94 TYR CB C 94 41.931 41.369 0.562 1
1 1050 . 16 1 1 A 94 94 TYR C C 94 176.635 175.152 1.483 1
1 1052 . 16 1 1 A 95 95 ASN N N 95 128.155 125.688 2.467 1
1 1053 . 16 1 1 A 95 95 ASN H H 95 8.872 9.400 -0.528 1
1 1054 . 16 1 1 A 95 95 ASN CA C 95 54.360 54.504 -0.144 1
1 1055 . 16 1 1 A 95 95 ASN HA H 95 4.215 4.251 -0.036 1
1 1056 . 16 1 1 A 95 95 ASN CB C 95 36.735 36.593 0.142 1
1 1061 . 16 1 1 A 95 95 ASN C C 95 174.592 174.142 0.450 1
1 1063 . 16 1 1 A 96 96 ASP N N 96 110.440 109.871 0.569 1
1 1064 . 16 1 1 A 96 96 ASP H H 96 9.304 8.508 0.796 1
1 1065 . 16 1 1 A 96 96 ASP CA C 96 55.920 55.550 0.370 1
1 1066 . 16 1 1 A 96 96 ASP HA H 96 4.030 4.143 -0.113 1
1 1067 . 16 1 1 A 96 96 ASP CB C 96 40.704 39.003 1.701 1
1 1069 . 16 1 1 A 96 96 ASP C C 96 174.657 174.409 0.248 1
1 1071 . 16 1 1 A 97 97 LYS N N 97 118.806 117.316 1.490 1
1 1072 . 16 1 1 A 97 97 LYS H H 97 7.482 7.579 -0.097 1
1 1073 . 16 1 1 A 97 97 LYS CA C 97 54.378 54.957 -0.579 1
1 1074 . 16 1 1 A 97 97 LYS HA H 97 4.715 4.753 -0.038 1
1 1075 . 16 1 1 A 97 97 LYS CB C 97 35.127 35.210 -0.083 1
1 1083 . 16 1 1 A 97 97 LYS C C 97 176.499 175.752 0.747 1
1 1088 . 16 1 1 A 98 98 HIS N N 98 124.063 123.406 0.657 1
1 1089 . 16 1 1 A 98 98 HIS H H 98 8.795 8.696 0.099 1
1 1090 . 16 1 1 A 98 98 HIS CA C 98 58.870 56.976 1.894 1
1 1091 . 16 1 1 A 98 98 HIS HA H 98 4.496 4.618 -0.122 1
1 1092 . 16 1 1 A 98 98 HIS CB C 98 32.178 30.521 1.657 1
1 1098 . 16 1 1 A 98 98 HIS C C 98 177.720 175.718 2.002 1
1 1100 . 16 1 1 A 99 99 ILE N N 99 120.049 118.903 1.146 1
1 1101 . 16 1 1 A 99 99 ILE H H 99 8.380 8.024 0.356 1
1 1102 . 16 1 1 A 99 99 ILE CA C 99 60.674 59.308 1.366 1
1 1103 . 16 1 1 A 99 99 ILE HA H 99 4.696 4.578 0.118 1
1 1104 . 16 1 1 A 99 99 ILE CB C 99 35.539 38.204 -2.665 1
1 1116 . 16 1 1 A 99 99 ILE C C 99 173.419 174.482 -1.063 1
1 1118 . 16 1 1 A 100 100 PRO CA C 100 65.343 63.536 1.807 1
1 1119 . 16 1 1 A 100 100 PRO HA H 100 4.255 4.309 -0.054 1
1 1120 . 16 1 1 A 100 100 PRO CB C 100 31.128 31.189 -0.061 1
1 1126 . 16 1 1 A 100 100 PRO C C 100 176.734 177.383 -0.649 1
1 1130 . 16 1 1 A 101 101 GLY N N 101 113.906 113.192 0.714 1
1 1131 . 16 1 1 A 101 101 GLY H H 101 8.167 8.724 -0.557 1
1 1132 . 16 1 1 A 101 101 GLY CA C 101 44.668 45.023 -0.355 1
1 1133 . 16 1 1 A 101 101 GLY HA3 H 101 3.120 3.982 -0.862 1
1 1134 . 16 1 1 A 101 101 GLY C C 101 171.985 174.444 -2.459 1
1 1135 . 16 1 1 A 101 101 GLY HA2 H 101 4.140 3.927 0.213 1
1 1136 . 16 1 1 A 102 102 SER N N 102 112.418 116.747 -4.329 1
1 1137 . 16 1 1 A 102 102 SER H H 102 7.641 7.281 0.360 1
1 1138 . 16 1 1 A 102 102 SER CA C 102 54.770 56.116 -1.346 1
1 1139 . 16 1 1 A 102 102 SER HA H 102 4.107 3.883 0.224 1
1 1140 . 16 1 1 A 102 102 SER CB C 102 62.454 63.114 -0.660 1
1 1142 . 16 1 1 A 102 102 SER C C 102 174.682 172.171 2.511 1
1 1144 . 16 1 1 A 103 103 PRO CA C 103 62.301 62.200 0.101 1
1 1145 . 16 1 1 A 103 103 PRO HA H 103 5.363 4.474 0.889 1
1 1146 . 16 1 1 A 103 103 PRO CB C 103 33.964 32.237 1.727 1
1 1152 . 16 1 1 A 103 103 PRO C C 103 176.438 175.566 0.872 1
1 1156 . 16 1 1 A 104 104 PHE N N 104 126.067 119.982 6.085 1
1 1157 . 16 1 1 A 104 104 PHE H H 104 9.449 8.078 1.371 1
1 1158 . 16 1 1 A 104 104 PHE CA C 104 57.102 57.396 -0.294 1
1 1159 . 16 1 1 A 104 104 PHE HA H 104 4.621 4.934 -0.313 1
1 1160 . 16 1 1 A 104 104 PHE CB C 104 40.656 41.289 -0.633 1
1 1170 . 16 1 1 A 104 104 PHE C C 104 176.313 175.578 0.735 1
1 1172 . 16 1 1 A 105 105 THR N N 105 118.402 116.647 1.755 1
1 1173 . 16 1 1 A 105 105 THR H H 105 8.842 8.955 -0.113 1
1 1174 . 16 1 1 A 105 105 THR CA C 105 62.018 61.885 0.133 1
1 1175 . 16 1 1 A 105 105 THR HA H 105 5.153 4.847 0.306 1
1 1176 . 16 1 1 A 105 105 THR CB C 105 70.095 69.576 0.519 1
1 1182 . 16 1 1 A 105 105 THR C C 105 172.525 173.646 -1.121 1
1 1183 . 16 1 1 A 106 106 ALA N N 106 131.132 130.108 1.024 1
1 1184 . 16 1 1 A 106 106 ALA H H 106 9.192 8.345 0.847 1
1 1185 . 16 1 1 A 106 106 ALA CA C 106 50.187 51.481 -1.294 1
1 1186 . 16 1 1 A 106 106 ALA HA H 106 4.435 4.928 -0.493 1
1 1187 . 16 1 1 A 106 106 ALA CB C 106 21.021 19.662 1.359 1
1 1191 . 16 1 1 A 106 106 ALA C C 106 176.136 176.643 -0.507 1
1 1192 . 16 1 1 A 107 107 LYS N N 107 122.751 124.916 -2.165 1
1 1193 . 16 1 1 A 107 107 LYS H H 107 7.746 8.849 -1.103 1
1 1194 . 16 1 1 A 107 107 LYS CA C 107 55.652 55.728 -0.076 1
1 1195 . 16 1 1 A 107 107 LYS HA H 107 4.797 4.591 0.206 1
1 1196 . 16 1 1 A 107 107 LYS CB C 107 32.606 32.127 0.479 1
1 1204 . 16 1 1 A 107 107 LYS C C 107 174.648 174.841 -0.193 1
1 1209 . 16 1 1 A 108 108 ILE N N 108 127.629 126.992 0.637 1
1 1210 . 16 1 1 A 108 108 ILE H H 108 9.024 8.557 0.467 1
1 1211 . 16 1 1 A 108 108 ILE CA C 108 56.801 60.777 -3.976 1
1 1212 . 16 1 1 A 108 108 ILE HA H 108 4.688 5.160 -0.472 1
1 1213 . 16 1 1 A 108 108 ILE CB C 108 35.101 39.047 -3.946 1
1 1225 . 16 1 1 A 108 108 ILE C C 108 178.159 175.268 2.891 1
1 1227 . 16 1 1 A 109 109 THR N N 109 121.563 116.952 4.611 1
1 1228 . 16 1 1 A 109 109 THR H H 109 8.861 8.629 0.232 1
1 1229 . 16 1 1 A 109 109 THR CA C 109 60.745 59.415 1.330 1
1 1230 . 16 1 1 A 109 109 THR HA H 109 4.778 5.208 -0.430 1
1 1231 . 16 1 1 A 109 109 THR CB C 109 71.067 72.596 -1.529 1
1 1237 . 16 1 1 A 109 109 THR C C 109 173.421 171.737 1.684 1
1 1238 . 16 1 1 A 110 110 ASP N N 110 119.526 122.942 -3.416 1
1 1239 . 16 1 1 A 110 110 ASP H H 110 8.631 8.815 -0.184 1
1 1240 . 16 1 1 A 110 110 ASP CA C 110 53.971 53.396 0.575 1
1 1241 . 16 1 1 A 110 110 ASP HA H 110 4.729 5.249 -0.520 1
1 1242 . 16 1 1 A 110 110 ASP CB C 110 42.087 42.514 -0.427 1
1 1244 . 16 1 1 A 110 110 ASP C C 110 176.124 174.581 1.543 1
1 1246 . 16 1 1 A 111 111 ASP N N 111 122.287 124.926 -2.639 1
1 1247 . 16 1 1 A 111 111 ASP H H 111 8.638 8.674 -0.036 1
1 1248 . 16 1 1 A 111 111 ASP CA C 111 54.042 54.470 -0.428 1
1 1249 . 16 1 1 A 111 111 ASP HA H 111 4.644 4.928 -0.284 1
1 1250 . 16 1 1 A 111 111 ASP CB C 111 41.218 42.831 -1.613 1
1 1252 . 16 1 1 A 111 111 ASP C C 111 176.668 175.673 0.995 1
1 1254 . 16 1 1 A 112 112 SER N N 112 117.157 121.791 -4.634 1
1 1255 . 16 1 1 A 112 112 SER H H 112 8.416 8.726 -0.310 1
1 1256 . 16 1 1 A 112 112 SER CA C 112 59.277 59.784 -0.507 1
1 1257 . 16 1 1 A 112 112 SER HA H 112 4.348 4.568 -0.220 1
1 1258 . 16 1 1 A 112 112 SER CB C 112 63.943 64.703 -0.760 1
1 1260 . 16 1 1 A 112 112 SER C C 112 174.721 174.176 0.545 1
1 1262 . 16 1 1 A 113 113 ARG N N 113 122.178 121.170 1.008 1
1 1263 . 16 1 1 A 113 113 ARG H H 113 8.238 7.745 0.493 1
1 1264 . 16 1 1 A 113 113 ARG CA C 113 56.195 56.067 0.128 1
1 1265 . 16 1 1 A 113 113 ARG HA H 113 4.347 4.292 0.055 1
1 1266 . 16 1 1 A 113 113 ARG CB C 113 30.470 30.860 -0.390 1
1 1271 . 16 1 1 A 113 113 ARG C C 113 176.207 175.832 0.375 1
1 1275 . 16 1 1 A 114 114 ARG N N 114 122.696 124.091 -1.395 1
1 1276 . 16 1 1 A 114 114 ARG H H 114 8.338 8.345 -0.007 1
1 1277 . 16 1 1 A 114 114 ARG CA C 114 56.164 54.638 1.526 1
1 1278 . 16 1 1 A 114 114 ARG HA H 114 4.390 4.952 -0.562 1
1 1279 . 16 1 1 A 114 114 ARG CB C 114 30.679 33.216 -2.537 1
1 1285 . 16 1 1 A 114 114 ARG C C 114 175.468 175.667 -0.199 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 44.699 45.758 -1.059 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.124 4.240 -0.116 1
1 3 . 17 1 1 A 7 7 GLY HA2 H 7 4.124 4.239 -0.115 1
1 4 . 17 1 1 A 8 8 PRO CA C 8 63.321 62.769 0.552 1
1 5 . 17 1 1 A 8 8 PRO HA H 8 4.418 4.724 -0.306 1
1 6 . 17 1 1 A 8 8 PRO CB C 8 32.104 33.480 -1.376 1
1 12 . 17 1 1 A 8 8 PRO C C 8 177.159 176.049 1.110 1
1 16 . 17 1 1 A 9 9 GLU N N 9 120.837 117.483 3.354 1
1 17 . 17 1 1 A 9 9 GLU H H 9 8.612 8.638 -0.026 1
1 18 . 17 1 1 A 9 9 GLU CA C 9 56.642 55.460 1.182 1
1 19 . 17 1 1 A 9 9 GLU HA H 9 4.282 5.064 -0.782 1
1 20 . 17 1 1 A 9 9 GLU CB C 9 30.181 32.967 -2.786 1
1 24 . 17 1 1 A 9 9 GLU C C 9 176.387 174.233 2.154 1
1 27 . 17 1 1 A 10 10 SER N N 10 117.776 115.143 2.633 1
1 28 . 17 1 1 A 10 10 SER H H 10 8.264 8.420 -0.156 1
1 29 . 17 1 1 A 10 10 SER CA C 10 56.382 55.293 1.089 1
1 30 . 17 1 1 A 10 10 SER HA H 10 4.763 5.063 -0.300 1
1 31 . 17 1 1 A 10 10 SER CB C 10 63.575 65.368 -1.793 1
1 33 . 17 1 1 A 10 10 SER C C 10 172.958 172.090 0.868 1
1 35 . 17 1 1 A 11 11 PRO CA C 11 63.404 62.251 1.153 1
1 36 . 17 1 1 A 11 11 PRO HA H 11 4.432 4.575 -0.143 1
1 37 . 17 1 1 A 11 11 PRO CB C 11 31.958 32.521 -0.563 1
1 43 . 17 1 1 A 11 11 PRO C C 11 176.922 176.353 0.569 1
1 47 . 17 1 1 A 12 12 LEU N N 12 121.245 123.189 -1.944 1
1 48 . 17 1 1 A 12 12 LEU H H 12 8.172 8.096 0.076 1
1 49 . 17 1 1 A 12 12 LEU CA C 12 55.521 55.013 0.508 1
1 50 . 17 1 1 A 12 12 LEU HA H 12 4.236 4.219 0.017 1
1 51 . 17 1 1 A 12 12 LEU CB C 12 42.138 42.379 -0.241 1
1 63 . 17 1 1 A 12 12 LEU C C 12 177.236 176.694 0.542 1
1 65 . 17 1 1 A 13 13 GLN N N 13 120.086 121.188 -1.102 1
1 66 . 17 1 1 A 13 13 GLN H H 13 8.098 8.341 -0.243 1
1 67 . 17 1 1 A 13 13 GLN CA C 13 55.785 54.648 1.137 1
1 68 . 17 1 1 A 13 13 GLN HA H 13 4.220 4.437 -0.217 1
1 69 . 17 1 1 A 13 13 GLN CB C 13 29.628 30.835 -1.207 1
1 76 . 17 1 1 A 13 13 GLN C C 13 175.243 175.095 0.148 1
1 79 . 17 1 1 A 14 14 PHE N N 14 120.461 121.186 -0.725 1
1 80 . 17 1 1 A 14 14 PHE H H 14 8.056 8.754 -0.698 1
1 81 . 17 1 1 A 14 14 PHE CA C 14 57.739 57.551 0.188 1
1 82 . 17 1 1 A 14 14 PHE HA H 14 4.545 4.852 -0.307 1
1 83 . 17 1 1 A 14 14 PHE CB C 14 39.825 41.449 -1.624 1
1 95 . 17 1 1 A 14 14 PHE C C 14 175.022 175.317 -0.295 1
1 97 . 17 1 1 A 15 15 TYR N N 15 121.213 120.039 1.174 1
1 98 . 17 1 1 A 15 15 TYR H H 15 8.004 9.200 -1.196 1
1 99 . 17 1 1 A 15 15 TYR CA C 15 57.756 57.574 0.182 1
1 100 . 17 1 1 A 15 15 TYR HA H 15 4.506 4.884 -0.378 1
1 101 . 17 1 1 A 15 15 TYR CB C 15 39.012 38.324 0.688 1
1 111 . 17 1 1 A 15 15 TYR C C 15 175.174 175.356 -0.182 1
1 113 . 17 1 1 A 16 16 VAL N N 16 121.693 125.309 -3.616 1
1 114 . 17 1 1 A 16 16 VAL H H 16 7.900 8.624 -0.724 1
1 115 . 17 1 1 A 16 16 VAL CA C 16 62.248 63.589 -1.341 1
1 116 . 17 1 1 A 16 16 VAL HA H 16 3.932 3.982 -0.050 1
1 117 . 17 1 1 A 16 16 VAL CB C 16 33.023 31.747 1.276 1
1 127 . 17 1 1 A 16 16 VAL C C 16 175.016 175.939 -0.923 1
1 128 . 17 1 1 A 17 17 ASN N N 17 121.488 126.151 -4.663 1
1 129 . 17 1 1 A 17 17 ASN H H 17 8.198 8.715 -0.517 1
1 130 . 17 1 1 A 17 17 ASN CA C 17 52.948 51.609 1.339 1
1 131 . 17 1 1 A 17 17 ASN HA H 17 4.630 5.074 -0.444 1
1 132 . 17 1 1 A 17 17 ASN CB C 17 39.289 39.621 -0.332 1
1 137 . 17 1 1 A 17 17 ASN C C 17 174.167 174.574 -0.407 1
1 139 . 17 1 1 A 18 18 TYR N N 18 122.069 118.689 3.380 1
1 140 . 17 1 1 A 18 18 TYR H H 18 8.117 8.329 -0.212 1
1 141 . 17 1 1 A 18 18 TYR CA C 18 55.970 55.087 0.883 1
1 142 . 17 1 1 A 18 18 TYR HA H 18 4.771 5.577 -0.806 1
1 143 . 17 1 1 A 18 18 TYR CB C 18 38.260 41.475 -3.215 1
1 153 . 17 1 1 A 18 18 TYR C C 18 173.978 173.218 0.760 1
1 155 . 17 1 1 A 19 19 PRO CA C 19 63.378 62.873 0.505 1
1 156 . 17 1 1 A 19 19 PRO HA H 19 4.414 4.616 -0.202 1
1 157 . 17 1 1 A 19 19 PRO CB C 19 32.018 32.654 -0.636 1
1 163 . 17 1 1 A 19 19 PRO C C 19 176.659 175.541 1.118 1
1 167 . 17 1 1 A 20 20 ASN N N 20 118.582 119.234 -0.652 1
1 168 . 17 1 1 A 20 20 ASN H H 20 8.508 8.598 -0.090 1
1 169 . 17 1 1 A 20 20 ASN CA C 20 53.334 52.401 0.933 1
1 170 . 17 1 1 A 20 20 ASN HA H 20 4.756 5.400 -0.644 1
1 171 . 17 1 1 A 20 20 ASN CB C 20 38.964 39.963 -0.999 1
1 176 . 17 1 1 A 20 20 ASN C C 20 175.301 174.414 0.887 1
1 178 . 17 1 1 A 21 21 SER N N 21 115.989 118.426 -2.437 1
1 179 . 17 1 1 A 21 21 SER H H 21 8.360 8.908 -0.548 1
1 180 . 17 1 1 A 21 21 SER CA C 21 58.877 56.415 2.462 1
1 181 . 17 1 1 A 21 21 SER HA H 21 4.481 4.874 -0.393 1
1 182 . 17 1 1 A 21 21 SER CB C 21 63.988 64.821 -0.833 1
1 184 . 17 1 1 A 21 21 SER C C 21 175.006 172.678 2.328 1
1 186 . 17 1 1 A 22 22 GLY N N 22 110.974 110.250 0.724 1
1 187 . 17 1 1 A 22 22 GLY H H 22 8.523 8.289 0.234 1
1 188 . 17 1 1 A 22 22 GLY CA C 22 45.429 45.707 -0.278 1
1 189 . 17 1 1 A 22 22 GLY HA3 H 22 4.074 4.167 -0.093 1
1 190 . 17 1 1 A 22 22 GLY C C 22 173.860 171.585 2.275 1
1 191 . 17 1 1 A 22 22 GLY HA2 H 22 4.074 4.166 -0.092 1
1 192 . 17 1 1 A 23 23 SER N N 23 115.179 115.502 -0.323 1
1 193 . 17 1 1 A 23 23 SER H H 23 8.190 8.562 -0.372 1
1 194 . 17 1 1 A 23 23 SER CA C 23 58.233 57.104 1.129 1
1 195 . 17 1 1 A 23 23 SER HA H 23 4.511 5.275 -0.764 1
1 196 . 17 1 1 A 23 23 SER CB C 23 64.511 66.188 -1.677 1
1 198 . 17 1 1 A 23 23 SER C C 23 173.263 173.421 -0.158 1
1 200 . 17 1 1 A 24 24 VAL N N 24 122.289 121.751 0.538 1
1 201 . 17 1 1 A 24 24 VAL H H 24 7.889 8.621 -0.732 1
1 202 . 17 1 1 A 24 24 VAL CA C 24 61.754 62.697 -0.943 1
1 203 . 17 1 1 A 24 24 VAL HA H 24 4.567 4.284 0.283 1
1 204 . 17 1 1 A 24 24 VAL CB C 24 33.612 31.248 2.364 1
1 214 . 17 1 1 A 24 24 VAL C C 24 174.799 175.348 -0.549 1
1 215 . 17 1 1 A 25 25 SER N N 25 118.995 121.390 -2.395 1
1 216 . 17 1 1 A 25 25 SER H H 25 8.244 8.962 -0.718 1
1 217 . 17 1 1 A 25 25 SER CA C 25 57.102 56.176 0.926 1
1 218 . 17 1 1 A 25 25 SER HA H 25 5.039 5.661 -0.622 1
1 219 . 17 1 1 A 25 25 SER CB C 25 66.338 65.890 0.448 1
1 221 . 17 1 1 A 25 25 SER C C 25 171.718 173.615 -1.897 1
1 223 . 17 1 1 A 26 26 ALA N N 26 121.537 125.733 -4.196 1
1 224 . 17 1 1 A 26 26 ALA H H 26 8.503 9.056 -0.553 1
1 225 . 17 1 1 A 26 26 ALA CA C 26 50.695 50.300 0.395 1
1 226 . 17 1 1 A 26 26 ALA HA H 26 5.637 5.540 0.097 1
1 227 . 17 1 1 A 26 26 ALA CB C 26 23.364 21.725 1.639 1
1 231 . 17 1 1 A 26 26 ALA C C 26 175.355 176.033 -0.678 1
1 232 . 17 1 1 A 27 27 TYR N N 27 116.588 118.166 -1.578 1
1 233 . 17 1 1 A 27 27 TYR H H 27 8.885 8.917 -0.032 1
1 234 . 17 1 1 A 27 27 TYR CA C 27 57.013 55.922 1.091 1
1 235 . 17 1 1 A 27 27 TYR HA H 27 4.742 5.208 -0.466 1
1 236 . 17 1 1 A 27 27 TYR CB C 27 40.325 41.796 -1.471 1
1 246 . 17 1 1 A 27 27 TYR C C 27 172.990 173.855 -0.865 1
1 248 . 17 1 1 A 28 28 GLY N N 28 108.423 106.508 1.915 1
1 249 . 17 1 1 A 28 28 GLY H H 28 8.475 8.494 -0.019 1
1 250 . 17 1 1 A 28 28 GLY CA C 28 44.439 44.454 -0.015 1
1 251 . 17 1 1 A 28 28 GLY HA3 H 28 4.141 4.072 0.069 1
1 252 . 17 1 1 A 28 28 GLY C C 28 173.419 173.987 -0.568 1
1 253 . 17 1 1 A 28 28 GLY HA2 H 28 5.092 4.063 1.029 1
1 254 . 17 1 1 A 29 29 PRO CA C 29 65.537 63.986 1.551 1
1 255 . 17 1 1 A 29 29 PRO HA H 29 4.298 4.321 -0.023 1
1 256 . 17 1 1 A 29 29 PRO CB C 29 31.509 31.822 -0.313 1
1 262 . 17 1 1 A 29 29 PRO C C 29 178.493 177.458 1.035 1
1 266 . 17 1 1 A 30 30 GLY N N 30 102.459 106.695 -4.236 1
1 267 . 17 1 1 A 30 30 GLY H H 30 8.655 8.349 0.306 1
1 268 . 17 1 1 A 30 30 GLY CA C 30 46.245 45.892 0.353 1
1 269 . 17 1 1 A 30 30 GLY HA3 H 30 3.417 4.191 -0.774 1
1 270 . 17 1 1 A 30 30 GLY C C 30 172.945 174.868 -1.923 1
1 271 . 17 1 1 A 30 30 GLY HA2 H 30 4.316 4.110 0.206 1
1 272 . 17 1 1 A 31 31 LEU N N 31 116.436 121.370 -4.934 1
1 273 . 17 1 1 A 31 31 LEU H H 31 7.049 7.433 -0.384 1
1 274 . 17 1 1 A 31 31 LEU CA C 31 55.368 56.718 -1.350 1
1 275 . 17 1 1 A 31 31 LEU HA H 31 3.784 4.049 -0.265 1
1 276 . 17 1 1 A 31 31 LEU CB C 31 42.148 42.389 -0.241 1
1 288 . 17 1 1 A 31 31 LEU C C 31 175.321 178.924 -3.603 1
1 290 . 17 1 1 A 32 32 VAL N N 32 112.078 117.336 -5.258 1
1 291 . 17 1 1 A 32 32 VAL H H 32 7.739 7.021 0.718 1
1 292 . 17 1 1 A 32 32 VAL CA C 32 62.956 64.267 -1.311 1
1 293 . 17 1 1 A 32 32 VAL HA H 32 4.574 3.796 0.778 1
1 294 . 17 1 1 A 32 32 VAL CB C 32 35.415 31.695 3.720 1
1 304 . 17 1 1 A 32 32 VAL C C 32 176.810 175.716 1.094 1
1 305 . 17 1 1 A 33 33 TYR N N 33 121.116 116.283 4.833 1
1 306 . 17 1 1 A 33 33 TYR H H 33 8.638 7.475 1.163 1
1 307 . 17 1 1 A 33 33 TYR CA C 33 56.523 55.967 0.556 1
1 308 . 17 1 1 A 33 33 TYR HA H 33 5.639 5.001 0.638 1
1 309 . 17 1 1 A 33 33 TYR CB C 33 42.165 41.064 1.101 1
1 319 . 17 1 1 A 33 33 TYR C C 33 172.858 173.839 -0.981 1
1 321 . 17 1 1 A 34 34 GLY N N 34 107.313 106.868 0.445 1
1 322 . 17 1 1 A 34 34 GLY H H 34 7.637 8.406 -0.769 1
1 323 . 17 1 1 A 34 34 GLY CA C 34 44.721 45.698 -0.977 1
1 324 . 17 1 1 A 34 34 GLY HA3 H 34 3.793 4.441 -0.648 1
1 325 . 17 1 1 A 34 34 GLY C C 34 170.727 171.846 -1.119 1
1 326 . 17 1 1 A 34 34 GLY HA2 H 34 3.873 4.426 -0.553 1
1 327 . 17 1 1 A 35 35 VAL N N 35 120.853 119.572 1.281 1
1 328 . 17 1 1 A 35 35 VAL H H 35 8.731 8.326 0.405 1
1 329 . 17 1 1 A 35 35 VAL CA C 35 60.627 60.795 -0.168 1
1 330 . 17 1 1 A 35 35 VAL HA H 35 4.589 4.684 -0.095 1
1 331 . 17 1 1 A 35 35 VAL CB C 35 35.374 35.439 -0.065 1
1 341 . 17 1 1 A 35 35 VAL C C 35 174.813 175.194 -0.381 1
1 342 . 17 1 1 A 36 36 ALA N N 36 127.708 130.702 -2.994 1
1 343 . 17 1 1 A 36 36 ALA H H 36 8.482 8.465 0.017 1
1 344 . 17 1 1 A 36 36 ALA CA C 36 53.332 53.231 0.101 1
1 345 . 17 1 1 A 36 36 ALA HA H 36 3.535 4.082 -0.547 1
1 346 . 17 1 1 A 36 36 ALA CB C 36 17.653 18.607 -0.954 1
1 350 . 17 1 1 A 36 36 ALA C C 36 176.968 178.096 -1.128 1
1 351 . 17 1 1 A 37 37 ASN N N 37 111.234 116.389 -5.155 1
1 352 . 17 1 1 A 37 37 ASN H H 37 9.147 9.091 0.056 1
1 353 . 17 1 1 A 37 37 ASN CA C 37 55.728 54.389 1.339 1
1 354 . 17 1 1 A 37 37 ASN HA H 37 3.962 4.238 -0.276 1
1 355 . 17 1 1 A 37 37 ASN CB C 37 37.147 37.267 -0.120 1
1 360 . 17 1 1 A 37 37 ASN C C 37 173.119 173.641 -0.522 1
1 362 . 17 1 1 A 38 38 LYS N N 38 119.100 117.789 1.311 1
1 363 . 17 1 1 A 38 38 LYS H H 38 7.972 7.294 0.678 1
1 364 . 17 1 1 A 38 38 LYS CA C 38 54.306 55.240 -0.934 1
1 365 . 17 1 1 A 38 38 LYS HA H 38 4.606 4.894 -0.288 1
1 366 . 17 1 1 A 38 38 LYS CB C 38 34.799 35.764 -0.965 1
1 374 . 17 1 1 A 38 38 LYS C C 38 175.533 174.502 1.031 1
1 379 . 17 1 1 A 39 39 THR N N 39 114.730 116.326 -1.596 1
1 380 . 17 1 1 A 39 39 THR H H 39 8.158 8.439 -0.281 1
1 381 . 17 1 1 A 39 39 THR CA C 39 63.302 62.176 1.126 1
1 382 . 17 1 1 A 39 39 THR HA H 39 4.138 4.230 -0.092 1
1 383 . 17 1 1 A 39 39 THR CB C 39 69.652 69.602 0.050 1
1 389 . 17 1 1 A 39 39 THR C C 39 174.281 174.113 0.168 1
1 390 . 17 1 1 A 40 40 ALA N N 40 129.891 125.364 4.527 1
1 391 . 17 1 1 A 40 40 ALA H H 40 8.750 8.218 0.532 1
1 392 . 17 1 1 A 40 40 ALA CA C 40 50.399 51.806 -1.407 1
1 393 . 17 1 1 A 40 40 ALA HA H 40 4.702 5.028 -0.326 1
1 394 . 17 1 1 A 40 40 ALA CB C 40 20.495 21.718 -1.223 1
1 398 . 17 1 1 A 40 40 ALA C C 40 176.039 175.369 0.670 1
1 399 . 17 1 1 A 41 41 THR N N 41 112.902 116.725 -3.823 1
1 400 . 17 1 1 A 41 41 THR H H 41 8.536 8.773 -0.237 1
1 401 . 17 1 1 A 41 41 THR CA C 41 59.688 59.881 -0.193 1
1 402 . 17 1 1 A 41 41 THR HA H 41 5.779 5.501 0.278 1
1 403 . 17 1 1 A 41 41 THR CB C 41 72.348 71.739 0.609 1
1 409 . 17 1 1 A 41 41 THR C C 41 173.286 172.896 0.390 1
1 410 . 17 1 1 A 42 42 PHE N N 42 119.525 121.569 -2.044 1
1 411 . 17 1 1 A 42 42 PHE H H 42 8.825 8.314 0.511 1
1 412 . 17 1 1 A 42 42 PHE CA C 42 57.031 54.878 2.153 1
1 413 . 17 1 1 A 42 42 PHE HA H 42 5.013 5.551 -0.538 1
1 414 . 17 1 1 A 42 42 PHE CB C 42 40.155 42.154 -1.999 1
1 426 . 17 1 1 A 42 42 PHE C C 42 171.282 173.355 -2.073 1
1 428 . 17 1 1 A 43 43 THR N N 43 117.427 114.141 3.286 1
1 429 . 17 1 1 A 43 43 THR H H 43 9.210 8.603 0.607 1
1 430 . 17 1 1 A 43 43 THR CA C 43 62.250 60.895 1.355 1
1 431 . 17 1 1 A 43 43 THR HA H 43 4.987 5.201 -0.214 1
1 432 . 17 1 1 A 43 43 THR CB C 43 71.510 71.883 -0.373 1
1 438 . 17 1 1 A 43 43 THR C C 43 173.061 173.360 -0.299 1
1 439 . 17 1 1 A 44 44 ILE N N 44 123.638 124.482 -0.844 1
1 440 . 17 1 1 A 44 44 ILE H H 44 8.859 8.608 0.251 1
1 441 . 17 1 1 A 44 44 ILE CA C 44 59.843 59.523 0.320 1
1 442 . 17 1 1 A 44 44 ILE HA H 44 4.824 5.222 -0.398 1
1 443 . 17 1 1 A 44 44 ILE CB C 44 40.866 42.169 -1.303 1
1 455 . 17 1 1 A 44 44 ILE C C 44 174.707 175.046 -0.339 1
1 457 . 17 1 1 A 45 45 VAL N N 45 128.904 127.252 1.652 1
1 458 . 17 1 1 A 45 45 VAL H H 45 9.299 8.939 0.360 1
1 459 . 17 1 1 A 45 45 VAL CA C 45 62.119 62.282 -0.163 1
1 460 . 17 1 1 A 45 45 VAL HA H 45 4.492 4.277 0.215 1
1 461 . 17 1 1 A 45 45 VAL CB C 45 32.683 30.312 2.371 1
1 471 . 17 1 1 A 45 45 VAL C C 45 175.606 175.215 0.391 1
1 472 . 17 1 1 A 46 46 THR N N 46 117.412 123.461 -6.049 1
1 473 . 17 1 1 A 46 46 THR H H 46 8.434 8.546 -0.112 1
1 474 . 17 1 1 A 46 46 THR CA C 46 60.650 61.105 -0.455 1
1 475 . 17 1 1 A 46 46 THR HA H 46 4.505 4.545 -0.040 1
1 476 . 17 1 1 A 46 46 THR CB C 46 69.432 65.805 3.627 1
1 482 . 17 1 1 A 46 46 THR C C 46 174.882 174.513 0.369 1
1 483 . 17 1 1 A 47 47 GLU N N 47 122.657 123.580 -0.923 1
1 484 . 17 1 1 A 47 47 GLU H H 47 8.052 8.212 -0.160 1
1 485 . 17 1 1 A 47 47 GLU CA C 47 57.419 58.101 -0.682 1
1 486 . 17 1 1 A 47 47 GLU HA H 47 4.231 4.340 -0.109 1
1 487 . 17 1 1 A 47 47 GLU CB C 47 30.281 30.487 -0.206 1
1 491 . 17 1 1 A 47 47 GLU C C 47 175.887 177.336 -1.449 1
1 494 . 17 1 1 A 48 48 ASP N N 48 120.269 116.079 4.190 1
1 495 . 17 1 1 A 48 48 ASP H H 48 8.536 7.887 0.649 1
1 496 . 17 1 1 A 48 48 ASP CA C 48 54.396 53.714 0.682 1
1 497 . 17 1 1 A 48 48 ASP HA H 48 4.638 5.004 -0.366 1
1 498 . 17 1 1 A 48 48 ASP CB C 48 40.979 41.349 -0.370 1
1 500 . 17 1 1 A 48 48 ASP C C 48 175.709 176.150 -0.441 1
1 502 . 17 1 1 A 49 49 ALA N N 49 122.506 121.579 0.927 1
1 503 . 17 1 1 A 49 49 ALA H H 49 8.109 7.897 0.212 1
1 504 . 17 1 1 A 49 49 ALA CA C 49 52.774 53.086 -0.312 1
1 505 . 17 1 1 A 49 49 ALA HA H 49 4.195 4.371 -0.176 1
1 506 . 17 1 1 A 49 49 ALA CB C 49 19.343 21.050 -1.707 1
1 510 . 17 1 1 A 49 49 ALA C C 49 178.316 178.499 -0.183 1
1 511 . 17 1 1 A 50 50 GLY N N 50 107.563 104.993 2.570 1
1 512 . 17 1 1 A 50 50 GLY H H 50 8.269 7.919 0.350 1
1 513 . 17 1 1 A 50 50 GLY CA C 50 45.288 45.281 0.007 1
1 514 . 17 1 1 A 50 50 GLY HA3 H 50 3.993 4.121 -0.128 1
1 515 . 17 1 1 A 50 50 GLY C C 50 174.421 173.509 0.912 1
1 516 . 17 1 1 A 50 50 GLY HA2 H 50 3.993 4.107 -0.114 1
1 517 . 17 1 1 A 51 51 GLU N N 51 121.358 123.763 -2.405 1
1 518 . 17 1 1 A 51 51 GLU H H 51 8.519 8.699 -0.180 1
1 519 . 17 1 1 A 51 51 GLU CA C 51 56.890 55.290 1.600 1
1 520 . 17 1 1 A 51 51 GLU HA H 51 4.309 4.799 -0.490 1
1 521 . 17 1 1 A 51 51 GLU CB C 51 30.204 30.098 0.106 1
1 525 . 17 1 1 A 51 51 GLU C C 51 177.003 175.804 1.199 1
1 528 . 17 1 1 A 52 52 GLY N N 52 109.575 113.988 -4.413 1
1 529 . 17 1 1 A 52 52 GLY H H 52 8.349 8.511 -0.162 1
1 530 . 17 1 1 A 52 52 GLY CA C 52 45.571 45.721 -0.150 1
1 531 . 17 1 1 A 52 52 GLY HA3 H 52 3.895 4.004 -0.109 1
1 532 . 17 1 1 A 52 52 GLY C C 52 173.666 173.221 0.445 1
1 533 . 17 1 1 A 52 52 GLY HA2 H 52 3.810 3.972 -0.162 1
1 534 . 17 1 1 A 53 53 GLY N N 53 106.657 106.485 0.172 1
1 535 . 17 1 1 A 53 53 GLY H H 53 7.893 7.151 0.742 1
1 536 . 17 1 1 A 53 53 GLY CA C 53 45.199 45.035 0.164 1
1 537 . 17 1 1 A 53 53 GLY HA3 H 53 3.613 4.046 -0.433 1
1 538 . 17 1 1 A 53 53 GLY C C 53 173.414 171.480 1.934 1
1 539 . 17 1 1 A 53 53 GLY HA2 H 53 4.036 4.001 0.035 1
1 540 . 17 1 1 A 54 54 LEU N N 54 124.121 126.162 -2.041 1
1 541 . 17 1 1 A 54 54 LEU H H 54 8.241 8.928 -0.687 1
1 542 . 17 1 1 A 54 54 LEU CA C 54 54.528 53.577 0.951 1
1 543 . 17 1 1 A 54 54 LEU HA H 54 5.056 4.983 0.073 1
1 544 . 17 1 1 A 54 54 LEU CB C 54 44.325 44.465 -0.140 1
1 556 . 17 1 1 A 54 54 LEU C C 54 176.080 174.535 1.545 1
1 558 . 17 1 1 A 55 55 ASP N N 55 126.024 126.533 -0.509 1
1 559 . 17 1 1 A 55 55 ASP H H 55 8.981 9.051 -0.070 1
1 560 . 17 1 1 A 55 55 ASP CA C 55 54.095 52.515 1.580 1
1 561 . 17 1 1 A 55 55 ASP HA H 55 4.879 5.392 -0.513 1
1 562 . 17 1 1 A 55 55 ASP CB C 55 44.582 44.414 0.168 1
1 564 . 17 1 1 A 55 55 ASP C C 55 173.601 175.529 -1.928 1
1 566 . 17 1 1 A 56 56 LEU N N 56 125.098 122.266 2.832 1
1 567 . 17 1 1 A 56 56 LEU H H 56 8.300 8.920 -0.620 1
1 568 . 17 1 1 A 56 56 LEU CA C 56 53.221 53.810 -0.589 1
1 569 . 17 1 1 A 56 56 LEU HA H 56 5.422 5.121 0.301 1
1 570 . 17 1 1 A 56 56 LEU CB C 56 46.028 46.399 -0.371 1
1 582 . 17 1 1 A 56 56 LEU C C 56 175.700 175.191 0.509 1
1 584 . 17 1 1 A 57 57 ALA N N 57 125.664 123.627 2.037 1
1 585 . 17 1 1 A 57 57 ALA H H 57 8.840 8.491 0.349 1
1 586 . 17 1 1 A 57 57 ALA CA C 57 51.851 51.807 0.044 1
1 587 . 17 1 1 A 57 57 ALA HA H 57 4.600 5.006 -0.406 1
1 588 . 17 1 1 A 57 57 ALA CB C 57 22.862 22.110 0.752 1
1 592 . 17 1 1 A 57 57 ALA C C 57 174.504 175.917 -1.413 1
1 593 . 17 1 1 A 58 58 ILE N N 58 119.429 123.753 -4.324 1
1 594 . 17 1 1 A 58 58 ILE H H 58 8.617 8.924 -0.307 1
1 595 . 17 1 1 A 58 58 ILE CA C 58 60.143 59.512 0.631 1
1 596 . 17 1 1 A 58 58 ILE HA H 58 5.272 5.019 0.253 1
1 597 . 17 1 1 A 58 58 ILE CB C 58 41.068 40.910 0.158 1
1 609 . 17 1 1 A 58 58 ILE C C 58 175.328 175.028 0.300 1
1 611 . 17 1 1 A 59 59 GLU N N 59 128.665 122.345 6.320 1
1 612 . 17 1 1 A 59 59 GLU H H 59 9.315 8.592 0.723 1
1 613 . 17 1 1 A 59 59 GLU CA C 59 54.166 55.132 -0.966 1
1 614 . 17 1 1 A 59 59 GLU HA H 59 4.920 5.095 -0.175 1
1 615 . 17 1 1 A 59 59 GLU CB C 59 32.698 33.034 -0.336 1
1 619 . 17 1 1 A 59 59 GLU C C 59 175.108 175.333 -0.225 1
1 622 . 17 1 1 A 60 60 GLY N N 60 110.929 108.571 2.358 1
1 623 . 17 1 1 A 60 60 GLY H H 60 8.427 8.398 0.029 1
1 624 . 17 1 1 A 60 60 GLY CA C 60 45.608 44.563 1.045 1
1 625 . 17 1 1 A 60 60 GLY HA3 H 60 3.927 4.169 -0.242 1
1 626 . 17 1 1 A 60 60 GLY C C 60 171.379 173.962 -2.583 1
1 627 . 17 1 1 A 60 60 GLY HA2 H 60 3.531 4.076 -0.545 1
1 628 . 17 1 1 A 61 61 PRO CA C 61 64.103 63.935 0.168 1
1 629 . 17 1 1 A 61 61 PRO HA H 61 4.270 4.440 -0.170 1
1 630 . 17 1 1 A 61 61 PRO CB C 61 32.206 31.887 0.319 1
1 636 . 17 1 1 A 61 61 PRO C C 61 176.075 175.919 0.156 1
1 640 . 17 1 1 A 62 62 SER N N 62 108.474 112.068 -3.594 1
1 641 . 17 1 1 A 62 62 SER H H 62 7.099 7.536 -0.437 1
1 642 . 17 1 1 A 62 62 SER CA C 62 56.398 57.217 -0.819 1
1 643 . 17 1 1 A 62 62 SER HA H 62 4.655 4.710 -0.055 1
1 644 . 17 1 1 A 62 62 SER CB C 62 67.457 65.523 1.934 1
1 646 . 17 1 1 A 62 62 SER C C 62 172.805 172.180 0.625 1
1 648 . 17 1 1 A 63 63 LYS N N 63 122.679 124.997 -2.318 1
1 649 . 17 1 1 A 63 63 LYS H H 63 8.653 8.403 0.250 1
1 650 . 17 1 1 A 63 63 LYS CA C 63 55.822 56.041 -0.219 1
1 651 . 17 1 1 A 63 63 LYS HA H 63 4.449 4.674 -0.225 1
1 652 . 17 1 1 A 63 63 LYS CB C 63 31.384 33.557 -2.173 1
1 660 . 17 1 1 A 63 63 LYS C C 63 175.601 175.558 0.043 1
1 665 . 17 1 1 A 64 64 ALA N N 64 130.710 129.130 1.580 1
1 666 . 17 1 1 A 64 64 ALA H H 64 8.690 8.928 -0.238 1
1 667 . 17 1 1 A 64 64 ALA CA C 64 51.425 50.209 1.216 1
1 668 . 17 1 1 A 64 64 ALA HA H 64 4.578 5.158 -0.580 1
1 669 . 17 1 1 A 64 64 ALA CB C 64 19.803 22.672 -2.869 1
1 673 . 17 1 1 A 64 64 ALA C C 64 176.395 176.158 0.237 1
1 674 . 17 1 1 A 65 65 GLU N N 65 123.534 120.867 2.667 1
1 675 . 17 1 1 A 65 65 GLU H H 65 8.397 8.679 -0.282 1
1 676 . 17 1 1 A 65 65 GLU CA C 65 56.854 56.974 -0.120 1
1 677 . 17 1 1 A 65 65 GLU HA H 65 4.278 4.546 -0.268 1
1 678 . 17 1 1 A 65 65 GLU CB C 65 30.346 30.947 -0.601 1
1 682 . 17 1 1 A 65 65 GLU C C 65 176.381 175.909 0.472 1
1 685 . 17 1 1 A 66 66 ILE N N 66 124.380 120.822 3.558 1
1 686 . 17 1 1 A 66 66 ILE H H 66 8.541 8.454 0.087 1
1 687 . 17 1 1 A 66 66 ILE CA C 66 60.568 59.974 0.594 1
1 688 . 17 1 1 A 66 66 ILE HA H 66 4.865 4.982 -0.117 1
1 689 . 17 1 1 A 66 66 ILE CB C 66 41.804 41.947 -0.143 1
1 701 . 17 1 1 A 66 66 ILE C C 66 175.421 174.930 0.491 1
1 703 . 17 1 1 A 67 67 SER N N 67 122.057 124.320 -2.263 1
1 704 . 17 1 1 A 67 67 SER H H 67 9.035 8.669 0.366 1
1 705 . 17 1 1 A 67 67 SER CA C 67 56.908 57.768 -0.860 1
1 706 . 17 1 1 A 67 67 SER HA H 67 4.729 5.202 -0.473 1
1 707 . 17 1 1 A 67 67 SER CB C 67 64.980 65.430 -0.450 1
1 709 . 17 1 1 A 67 67 SER C C 67 172.294 173.126 -0.832 1
1 711 . 17 1 1 A 68 68 CYS N N 68 124.699 125.021 -0.322 1
1 712 . 17 1 1 A 68 68 CYS H H 68 8.732 8.911 -0.179 1
1 713 . 17 1 1 A 68 68 CYS CA C 68 57.310 57.216 0.094 1
1 714 . 17 1 1 A 68 68 CYS HA H 68 5.038 5.192 -0.154 1
1 715 . 17 1 1 A 68 68 CYS CB C 68 28.380 29.084 -0.704 1
1 717 . 17 1 1 A 68 68 CYS C C 68 173.135 173.574 -0.439 1
1 719 . 17 1 1 A 69 69 ILE N N 69 128.680 126.111 2.569 1
1 720 . 17 1 1 A 69 69 ILE H H 69 8.757 9.165 -0.408 1
1 721 . 17 1 1 A 69 69 ILE CA C 69 59.153 60.264 -1.111 1
1 722 . 17 1 1 A 69 69 ILE HA H 69 4.350 4.659 -0.309 1
1 723 . 17 1 1 A 69 69 ILE CB C 69 40.750 40.010 0.740 1
1 735 . 17 1 1 A 69 69 ILE C C 69 174.363 175.184 -0.821 1
1 737 . 17 1 1 A 70 70 ASP N N 70 126.290 129.313 -3.023 1
1 738 . 17 1 1 A 70 70 ASP H H 70 8.596 8.922 -0.326 1
1 739 . 17 1 1 A 70 70 ASP CA C 70 53.671 54.008 -0.337 1
1 740 . 17 1 1 A 70 70 ASP HA H 70 4.892 4.681 0.211 1
1 741 . 17 1 1 A 70 70 ASP CB C 70 41.069 41.804 -0.735 1
1 743 . 17 1 1 A 70 70 ASP C C 70 176.812 175.943 0.869 1
1 745 . 17 1 1 A 71 71 ASN N N 71 125.163 121.840 3.323 1
1 746 . 17 1 1 A 71 71 ASN H H 71 8.745 8.156 0.589 1
1 747 . 17 1 1 A 71 71 ASN CA C 71 54.626 52.077 2.549 1
1 748 . 17 1 1 A 71 71 ASN HA H 71 4.647 5.047 -0.400 1
1 749 . 17 1 1 A 71 71 ASN CB C 71 38.688 41.952 -3.264 1
1 754 . 17 1 1 A 71 71 ASN C C 71 175.657 175.853 -0.196 1
1 756 . 17 1 1 A 72 72 LYS N N 72 114.425 119.993 -5.568 1
1 757 . 17 1 1 A 72 72 LYS H H 72 9.407 8.749 0.658 1
1 758 . 17 1 1 A 72 72 LYS CA C 72 57.535 58.052 -0.517 1
1 759 . 17 1 1 A 72 72 LYS HA H 72 4.028 4.299 -0.271 1
1 760 . 17 1 1 A 72 72 LYS CB C 72 28.393 32.763 -4.370 1
1 768 . 17 1 1 A 72 72 LYS C C 72 175.123 176.427 -1.304 1
1 773 . 17 1 1 A 73 73 ASP N N 73 117.581 117.735 -0.154 1
1 774 . 17 1 1 A 73 73 ASP H H 73 7.881 7.967 -0.086 1
1 775 . 17 1 1 A 73 73 ASP CA C 73 52.274 54.379 -2.105 1
1 776 . 17 1 1 A 73 73 ASP HA H 73 4.769 4.696 0.073 1
1 777 . 17 1 1 A 73 73 ASP CB C 73 41.210 42.157 -0.947 1
1 779 . 17 1 1 A 73 73 ASP C C 73 177.197 176.140 1.057 1
1 781 . 17 1 1 A 74 74 GLY N N 74 109.385 105.862 3.523 1
1 782 . 17 1 1 A 74 74 GLY H H 74 8.781 7.857 0.924 1
1 783 . 17 1 1 A 74 74 GLY CA C 74 45.179 45.021 0.158 1
1 784 . 17 1 1 A 74 74 GLY HA3 H 74 3.673 4.083 -0.410 1
1 785 . 17 1 1 A 74 74 GLY C C 74 173.671 174.087 -0.416 1
1 786 . 17 1 1 A 74 74 GLY HA2 H 74 4.469 4.082 0.387 1
1 787 . 17 1 1 A 75 75 THR N N 75 110.220 110.697 -0.477 1
1 788 . 17 1 1 A 75 75 THR H H 75 8.179 7.664 0.515 1
1 789 . 17 1 1 A 75 75 THR CA C 75 59.843 59.789 0.054 1
1 790 . 17 1 1 A 75 75 THR HA H 75 5.678 5.012 0.666 1
1 791 . 17 1 1 A 75 75 THR CB C 75 73.810 71.784 2.026 1
1 797 . 17 1 1 A 75 75 THR C C 75 173.912 173.341 0.571 1
1 798 . 17 1 1 A 76 76 CYS N N 76 117.252 119.309 -2.057 1
1 799 . 17 1 1 A 76 76 CYS H H 76 9.295 8.675 0.620 1
1 800 . 17 1 1 A 76 76 CYS CA C 76 56.716 58.193 -1.477 1
1 801 . 17 1 1 A 76 76 CYS HA H 76 5.517 5.142 0.375 1
1 802 . 17 1 1 A 76 76 CYS CB C 76 31.176 30.710 0.466 1
1 804 . 17 1 1 A 76 76 CYS C C 76 174.083 172.972 1.111 1
1 806 . 17 1 1 A 77 77 THR N N 77 121.477 121.619 -0.142 1
1 807 . 17 1 1 A 77 77 THR H H 77 9.137 8.595 0.542 1
1 808 . 17 1 1 A 77 77 THR CA C 77 62.565 61.596 0.969 1
1 809 . 17 1 1 A 77 77 THR HA H 77 4.592 4.842 -0.250 1
1 810 . 17 1 1 A 77 77 THR CB C 77 70.447 69.521 0.926 1
1 816 . 17 1 1 A 77 77 THR C C 77 173.469 173.720 -0.251 1
1 817 . 17 1 1 A 78 78 VAL N N 78 131.586 127.881 3.705 1
1 818 . 17 1 1 A 78 78 VAL H H 78 9.099 8.282 0.817 1
1 819 . 17 1 1 A 78 78 VAL CA C 78 60.604 60.439 0.165 1
1 820 . 17 1 1 A 78 78 VAL HA H 78 4.672 4.773 -0.101 1
1 821 . 17 1 1 A 78 78 VAL CB C 78 32.061 32.259 -0.198 1
1 831 . 17 1 1 A 78 78 VAL C C 78 174.618 174.738 -0.120 1
1 832 . 17 1 1 A 79 79 THR N N 79 120.071 122.967 -2.896 1
1 833 . 17 1 1 A 79 79 THR H H 79 8.782 8.634 0.148 1
1 834 . 17 1 1 A 79 79 THR CA C 79 59.685 62.390 -2.705 1
1 835 . 17 1 1 A 79 79 THR HA H 79 5.424 5.103 0.321 1
1 836 . 17 1 1 A 79 79 THR CB C 79 71.374 70.742 0.632 1
1 842 . 17 1 1 A 79 79 THR C C 79 173.250 173.663 -0.413 1
1 843 . 17 1 1 A 80 80 TYR N N 80 120.212 121.508 -1.296 1
1 844 . 17 1 1 A 80 80 TYR H H 80 9.132 8.985 0.147 1
1 845 . 17 1 1 A 80 80 TYR CA C 80 55.554 55.729 -0.175 1
1 846 . 17 1 1 A 80 80 TYR HA H 80 5.686 5.621 0.065 1
1 847 . 17 1 1 A 80 80 TYR CB C 80 42.143 42.427 -0.284 1
1 857 . 17 1 1 A 80 80 TYR C C 80 172.856 172.483 0.373 1
1 859 . 17 1 1 A 81 81 LEU N N 81 121.355 123.544 -2.189 1
1 860 . 17 1 1 A 81 81 LEU H H 81 7.729 9.133 -1.404 1
1 861 . 17 1 1 A 81 81 LEU CA C 81 50.912 50.989 -0.077 1
1 862 . 17 1 1 A 81 81 LEU HA H 81 4.991 4.698 0.293 1
1 863 . 17 1 1 A 81 81 LEU CB C 81 43.636 44.843 -1.207 1
1 875 . 17 1 1 A 81 81 LEU C C 81 172.982 175.008 -2.026 1
1 877 . 17 1 1 A 82 82 PRO CA C 82 61.629 62.619 -0.990 1
1 878 . 17 1 1 A 82 82 PRO HA H 82 4.587 4.744 -0.157 1
1 879 . 17 1 1 A 82 82 PRO CB C 82 32.091 32.796 -0.705 1
1 885 . 17 1 1 A 82 82 PRO C C 82 177.683 176.987 0.696 1
1 889 . 17 1 1 A 83 83 THR N N 83 112.637 113.810 -1.173 1
1 890 . 17 1 1 A 83 83 THR H H 83 8.438 8.593 -0.155 1
1 891 . 17 1 1 A 83 83 THR CA C 83 62.207 62.806 -0.599 1
1 892 . 17 1 1 A 83 83 THR HA H 83 4.305 4.452 -0.147 1
1 893 . 17 1 1 A 83 83 THR CB C 83 69.155 69.842 -0.687 1
1 899 . 17 1 1 A 83 83 THR C C 83 173.582 174.449 -0.867 1
1 900 . 17 1 1 A 84 84 LEU N N 84 118.186 119.952 -1.766 1
1 901 . 17 1 1 A 84 84 LEU H H 84 6.839 7.649 -0.810 1
1 902 . 17 1 1 A 84 84 LEU CA C 84 51.513 51.556 -0.043 1
1 903 . 17 1 1 A 84 84 LEU HA H 84 4.976 4.910 0.066 1
1 904 . 17 1 1 A 84 84 LEU CB C 84 45.838 45.545 0.293 1
1 916 . 17 1 1 A 84 84 LEU C C 84 175.119 174.394 0.725 1
1 918 . 17 1 1 A 85 85 PRO CA C 85 62.660 63.374 -0.714 1
1 919 . 17 1 1 A 85 85 PRO HA H 85 4.347 4.859 -0.512 1
1 920 . 17 1 1 A 85 85 PRO CB C 85 32.801 31.643 1.158 1
1 926 . 17 1 1 A 85 85 PRO C C 85 174.117 176.226 -2.109 1
1 930 . 17 1 1 A 86 86 GLY N N 86 106.704 108.392 -1.688 1
1 931 . 17 1 1 A 86 86 GLY H H 86 9.065 8.036 1.029 1
1 932 . 17 1 1 A 86 86 GLY CA C 86 44.520 45.548 -1.028 1
1 933 . 17 1 1 A 86 86 GLY HA3 H 86 3.838 4.096 -0.258 1
1 934 . 17 1 1 A 86 86 GLY C C 86 171.468 172.726 -1.258 1
1 935 . 17 1 1 A 86 86 GLY HA2 H 86 4.408 3.997 0.411 1
1 936 . 17 1 1 A 87 87 ASP N N 87 120.573 119.865 0.708 1
1 937 . 17 1 1 A 87 87 ASP H H 87 8.275 8.362 -0.087 1
1 938 . 17 1 1 A 87 87 ASP CA C 87 53.500 54.258 -0.758 1
1 939 . 17 1 1 A 87 87 ASP HA H 87 5.498 4.651 0.847 1
1 940 . 17 1 1 A 87 87 ASP CB C 87 40.877 40.693 0.184 1
1 942 . 17 1 1 A 87 87 ASP C C 87 176.069 175.448 0.621 1
1 944 . 17 1 1 A 88 88 TYR N N 88 124.115 124.784 -0.669 1
1 945 . 17 1 1 A 88 88 TYR H H 88 9.510 8.935 0.575 1
1 946 . 17 1 1 A 88 88 TYR CA C 88 56.667 57.478 -0.811 1
1 947 . 17 1 1 A 88 88 TYR HA H 88 4.983 5.055 -0.072 1
1 948 . 17 1 1 A 88 88 TYR CB C 88 39.633 39.581 0.052 1
1 958 . 17 1 1 A 88 88 TYR C C 88 174.533 175.252 -0.719 1
1 960 . 17 1 1 A 89 89 SER N N 89 118.331 121.169 -2.838 1
1 961 . 17 1 1 A 89 89 SER H H 89 9.200 9.083 0.117 1
1 962 . 17 1 1 A 89 89 SER CA C 89 56.737 58.286 -1.549 1
1 963 . 17 1 1 A 89 89 SER HA H 89 5.346 4.754 0.592 1
1 964 . 17 1 1 A 89 89 SER CB C 89 64.421 62.949 1.472 1
1 966 . 17 1 1 A 89 89 SER C C 89 173.462 173.787 -0.325 1
1 968 . 17 1 1 A 90 90 ILE N N 90 127.805 127.106 0.699 1
1 969 . 17 1 1 A 90 90 ILE H H 90 9.536 8.533 1.003 1
1 970 . 17 1 1 A 90 90 ILE CA C 90 61.209 61.483 -0.274 1
1 971 . 17 1 1 A 90 90 ILE HA H 90 4.505 4.385 0.120 1
1 972 . 17 1 1 A 90 90 ILE CB C 90 39.225 37.698 1.527 1
1 984 . 17 1 1 A 90 90 ILE C C 90 174.259 175.528 -1.269 1
1 986 . 17 1 1 A 91 91 LEU N N 91 129.968 128.507 1.461 1
1 987 . 17 1 1 A 91 91 LEU H H 91 9.354 9.132 0.222 1
1 988 . 17 1 1 A 91 91 LEU CA C 91 55.510 53.946 1.564 1
1 989 . 17 1 1 A 91 91 LEU HA H 91 4.774 5.105 -0.331 1
1 990 . 17 1 1 A 91 91 LEU CB C 91 42.674 43.598 -0.924 1
1 1002 . 17 1 1 A 91 91 LEU C C 91 175.517 175.424 0.093 1
1 1004 . 17 1 1 A 92 92 VAL N N 92 124.859 126.226 -1.367 1
1 1005 . 17 1 1 A 92 92 VAL H H 92 9.431 9.317 0.114 1
1 1006 . 17 1 1 A 92 92 VAL CA C 92 61.488 60.923 0.565 1
1 1007 . 17 1 1 A 92 92 VAL HA H 92 4.626 4.896 -0.270 1
1 1008 . 17 1 1 A 92 92 VAL CB C 92 33.437 34.354 -0.917 1
1 1018 . 17 1 1 A 92 92 VAL C C 92 173.589 174.871 -1.282 1
1 1019 . 17 1 1 A 93 93 LYS N N 93 123.909 125.689 -1.780 1
1 1020 . 17 1 1 A 93 93 LYS H H 93 8.660 8.780 -0.120 1
1 1021 . 17 1 1 A 93 93 LYS CA C 93 53.953 54.203 -0.250 1
1 1022 . 17 1 1 A 93 93 LYS HA H 93 5.017 4.808 0.209 1
1 1023 . 17 1 1 A 93 93 LYS CB C 93 36.475 36.167 0.308 1
1 1031 . 17 1 1 A 93 93 LYS C C 93 174.746 174.507 0.239 1
1 1036 . 17 1 1 A 94 94 TYR N N 94 120.499 123.315 -2.816 1
1 1037 . 17 1 1 A 94 94 TYR H H 94 8.821 9.182 -0.361 1
1 1038 . 17 1 1 A 94 94 TYR CA C 94 56.438 57.565 -1.127 1
1 1039 . 17 1 1 A 94 94 TYR HA H 94 5.161 4.950 0.211 1
1 1040 . 17 1 1 A 94 94 TYR CB C 94 41.931 41.527 0.404 1
1 1050 . 17 1 1 A 94 94 TYR C C 94 176.635 174.973 1.662 1
1 1052 . 17 1 1 A 95 95 ASN N N 95 128.155 126.083 2.072 1
1 1053 . 17 1 1 A 95 95 ASN H H 95 8.872 9.105 -0.233 1
1 1054 . 17 1 1 A 95 95 ASN CA C 95 54.360 54.621 -0.261 1
1 1055 . 17 1 1 A 95 95 ASN HA H 95 4.215 4.314 -0.099 1
1 1056 . 17 1 1 A 95 95 ASN CB C 95 36.735 36.914 -0.179 1
1 1061 . 17 1 1 A 95 95 ASN C C 95 174.592 174.185 0.407 1
1 1063 . 17 1 1 A 96 96 ASP N N 96 110.440 109.850 0.590 1
1 1064 . 17 1 1 A 96 96 ASP H H 96 9.304 8.518 0.786 1
1 1065 . 17 1 1 A 96 96 ASP CA C 96 55.920 55.640 0.280 1
1 1066 . 17 1 1 A 96 96 ASP HA H 96 4.030 4.190 -0.160 1
1 1067 . 17 1 1 A 96 96 ASP CB C 96 40.704 39.341 1.363 1
1 1069 . 17 1 1 A 96 96 ASP C C 96 174.657 174.571 0.086 1
1 1071 . 17 1 1 A 97 97 LYS N N 97 118.806 117.484 1.322 1
1 1072 . 17 1 1 A 97 97 LYS H H 97 7.482 7.651 -0.169 1
1 1073 . 17 1 1 A 97 97 LYS CA C 97 54.378 54.939 -0.561 1
1 1074 . 17 1 1 A 97 97 LYS HA H 97 4.715 4.797 -0.082 1
1 1075 . 17 1 1 A 97 97 LYS CB C 97 35.127 34.926 0.201 1
1 1083 . 17 1 1 A 97 97 LYS C C 97 176.499 175.785 0.714 1
1 1088 . 17 1 1 A 98 98 HIS N N 98 124.063 123.462 0.601 1
1 1089 . 17 1 1 A 98 98 HIS H H 98 8.795 8.741 0.054 1
1 1090 . 17 1 1 A 98 98 HIS CA C 98 58.870 56.871 1.999 1
1 1091 . 17 1 1 A 98 98 HIS HA H 98 4.496 4.680 -0.184 1
1 1092 . 17 1 1 A 98 98 HIS CB C 98 32.178 30.414 1.764 1
1 1098 . 17 1 1 A 98 98 HIS C C 98 177.720 175.763 1.957 1
1 1100 . 17 1 1 A 99 99 ILE N N 99 120.049 117.997 2.052 1
1 1101 . 17 1 1 A 99 99 ILE H H 99 8.380 8.576 -0.196 1
1 1102 . 17 1 1 A 99 99 ILE CA C 99 60.674 58.753 1.921 1
1 1103 . 17 1 1 A 99 99 ILE HA H 99 4.696 4.648 0.048 1
1 1104 . 17 1 1 A 99 99 ILE CB C 99 35.539 38.704 -3.165 1
1 1116 . 17 1 1 A 99 99 ILE C C 99 173.419 174.266 -0.847 1
1 1118 . 17 1 1 A 100 100 PRO CA C 100 65.343 63.783 1.560 1
1 1119 . 17 1 1 A 100 100 PRO HA H 100 4.255 4.295 -0.040 1
1 1120 . 17 1 1 A 100 100 PRO CB C 100 31.128 31.290 -0.162 1
1 1126 . 17 1 1 A 100 100 PRO C C 100 176.734 177.441 -0.707 1
1 1130 . 17 1 1 A 101 101 GLY N N 101 113.906 113.270 0.636 1
1 1131 . 17 1 1 A 101 101 GLY H H 101 8.167 8.881 -0.714 1
1 1132 . 17 1 1 A 101 101 GLY CA C 101 44.668 44.975 -0.307 1
1 1133 . 17 1 1 A 101 101 GLY HA3 H 101 3.120 3.975 -0.855 1
1 1134 . 17 1 1 A 101 101 GLY C C 101 171.985 174.359 -2.374 1
1 1135 . 17 1 1 A 101 101 GLY HA2 H 101 4.140 3.898 0.242 1
1 1136 . 17 1 1 A 102 102 SER N N 102 112.418 115.308 -2.890 1
1 1137 . 17 1 1 A 102 102 SER H H 102 7.641 7.423 0.218 1
1 1138 . 17 1 1 A 102 102 SER CA C 102 54.770 56.347 -1.577 1
1 1139 . 17 1 1 A 102 102 SER HA H 102 4.107 3.286 0.821 1
1 1140 . 17 1 1 A 102 102 SER CB C 102 62.454 63.810 -1.356 1
1 1142 . 17 1 1 A 102 102 SER C C 102 174.682 173.615 1.067 1
1 1144 . 17 1 1 A 103 103 PRO CA C 103 62.301 62.084 0.217 1
1 1145 . 17 1 1 A 103 103 PRO HA H 103 5.363 4.433 0.930 1
1 1146 . 17 1 1 A 103 103 PRO CB C 103 33.964 32.746 1.218 1
1 1152 . 17 1 1 A 103 103 PRO C C 103 176.438 174.757 1.681 1
1 1156 . 17 1 1 A 104 104 PHE N N 104 126.067 119.627 6.440 1
1 1157 . 17 1 1 A 104 104 PHE H H 104 9.449 8.080 1.369 1
1 1158 . 17 1 1 A 104 104 PHE CA C 104 57.102 56.721 0.381 1
1 1159 . 17 1 1 A 104 104 PHE HA H 104 4.621 5.049 -0.428 1
1 1160 . 17 1 1 A 104 104 PHE CB C 104 40.656 43.178 -2.522 1
1 1170 . 17 1 1 A 104 104 PHE C C 104 176.313 175.056 1.257 1
1 1172 . 17 1 1 A 105 105 THR N N 105 118.402 116.708 1.694 1
1 1173 . 17 1 1 A 105 105 THR H H 105 8.842 8.944 -0.102 1
1 1174 . 17 1 1 A 105 105 THR CA C 105 62.018 61.480 0.538 1
1 1175 . 17 1 1 A 105 105 THR HA H 105 5.153 4.985 0.168 1
1 1176 . 17 1 1 A 105 105 THR CB C 105 70.095 70.260 -0.165 1
1 1182 . 17 1 1 A 105 105 THR C C 105 172.525 173.114 -0.589 1
1 1183 . 17 1 1 A 106 106 ALA N N 106 131.132 129.517 1.615 1
1 1184 . 17 1 1 A 106 106 ALA H H 106 9.192 8.880 0.312 1
1 1185 . 17 1 1 A 106 106 ALA CA C 106 50.187 50.630 -0.443 1
1 1186 . 17 1 1 A 106 106 ALA HA H 106 4.435 4.969 -0.534 1
1 1187 . 17 1 1 A 106 106 ALA CB C 106 21.021 20.223 0.798 1
1 1191 . 17 1 1 A 106 106 ALA C C 106 176.136 176.498 -0.362 1
1 1192 . 17 1 1 A 107 107 LYS N N 107 122.751 123.465 -0.714 1
1 1193 . 17 1 1 A 107 107 LYS H H 107 7.746 8.344 -0.598 1
1 1194 . 17 1 1 A 107 107 LYS CA C 107 55.652 56.367 -0.715 1
1 1195 . 17 1 1 A 107 107 LYS HA H 107 4.797 4.589 0.208 1
1 1196 . 17 1 1 A 107 107 LYS CB C 107 32.606 32.570 0.036 1
1 1204 . 17 1 1 A 107 107 LYS C C 107 174.648 175.656 -1.008 1
1 1209 . 17 1 1 A 108 108 ILE N N 108 127.629 125.964 1.665 1
1 1210 . 17 1 1 A 108 108 ILE H H 108 9.024 9.076 -0.052 1
1 1211 . 17 1 1 A 108 108 ILE CA C 108 56.801 60.300 -3.499 1
1 1212 . 17 1 1 A 108 108 ILE HA H 108 4.688 5.256 -0.568 1
1 1213 . 17 1 1 A 108 108 ILE CB C 108 35.101 40.263 -5.162 1
1 1225 . 17 1 1 A 108 108 ILE C C 108 178.159 175.415 2.744 1
1 1227 . 17 1 1 A 109 109 THR N N 109 121.563 116.639 4.924 1
1 1228 . 17 1 1 A 109 109 THR H H 109 8.861 8.758 0.103 1
1 1229 . 17 1 1 A 109 109 THR CA C 109 60.745 60.002 0.743 1
1 1230 . 17 1 1 A 109 109 THR HA H 109 4.778 5.012 -0.234 1
1 1231 . 17 1 1 A 109 109 THR CB C 109 71.067 71.614 -0.547 1
1 1237 . 17 1 1 A 109 109 THR C C 109 173.421 172.638 0.783 1
1 1238 . 17 1 1 A 110 110 ASP N N 110 119.526 119.738 -0.212 1
1 1239 . 17 1 1 A 110 110 ASP H H 110 8.631 8.809 -0.178 1
1 1240 . 17 1 1 A 110 110 ASP CA C 110 53.971 52.188 1.783 1
1 1241 . 17 1 1 A 110 110 ASP HA H 110 4.729 5.441 -0.712 1
1 1242 . 17 1 1 A 110 110 ASP CB C 110 42.087 42.809 -0.722 1
1 1244 . 17 1 1 A 110 110 ASP C C 110 176.124 174.779 1.345 1
1 1246 . 17 1 1 A 111 111 ASP N N 111 122.287 122.411 -0.124 1
1 1247 . 17 1 1 A 111 111 ASP H H 111 8.638 8.919 -0.281 1
1 1248 . 17 1 1 A 111 111 ASP CA C 111 54.042 53.568 0.474 1
1 1249 . 17 1 1 A 111 111 ASP HA H 111 4.644 5.000 -0.356 1
1 1250 . 17 1 1 A 111 111 ASP CB C 111 41.218 39.933 1.285 1
1 1252 . 17 1 1 A 111 111 ASP C C 111 176.668 174.394 2.274 1
1 1254 . 17 1 1 A 112 112 SER N N 112 117.157 120.818 -3.661 1
1 1255 . 17 1 1 A 112 112 SER H H 112 8.416 8.439 -0.023 1
1 1256 . 17 1 1 A 112 112 SER CA C 112 59.277 57.358 1.919 1
1 1257 . 17 1 1 A 112 112 SER HA H 112 4.348 4.707 -0.359 1
1 1258 . 17 1 1 A 112 112 SER CB C 112 63.943 62.534 1.409 1
1 1260 . 17 1 1 A 112 112 SER C C 112 174.721 173.130 1.591 1
1 1262 . 17 1 1 A 113 113 ARG N N 113 122.178 123.257 -1.079 1
1 1263 . 17 1 1 A 113 113 ARG H H 113 8.238 7.821 0.417 1
1 1264 . 17 1 1 A 113 113 ARG CA C 113 56.195 54.195 2.000 1
1 1265 . 17 1 1 A 113 113 ARG HA H 113 4.347 4.786 -0.439 1
1 1266 . 17 1 1 A 113 113 ARG CB C 113 30.470 33.097 -2.627 1
1 1271 . 17 1 1 A 113 113 ARG C C 113 176.207 176.858 -0.651 1
1 1275 . 17 1 1 A 114 114 ARG N N 114 122.696 118.400 4.296 1
1 1276 . 17 1 1 A 114 114 ARG H H 114 8.338 9.011 -0.673 1
1 1277 . 17 1 1 A 114 114 ARG CA C 114 56.164 58.819 -2.655 1
1 1278 . 17 1 1 A 114 114 ARG HA H 114 4.390 4.121 0.269 1
1 1279 . 17 1 1 A 114 114 ARG CB C 114 30.679 29.936 0.743 1
1 1285 . 17 1 1 A 114 114 ARG C C 114 175.468 176.061 -0.593 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 44.699 46.607 -1.908 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.124 4.369 -0.245 1
1 3 . 18 1 1 A 7 7 GLY HA2 H 7 4.124 4.369 -0.245 1
1 4 . 18 1 1 A 8 8 PRO CA C 8 63.321 62.847 0.474 1
1 5 . 18 1 1 A 8 8 PRO HA H 8 4.418 4.515 -0.097 1
1 6 . 18 1 1 A 8 8 PRO CB C 8 32.104 31.858 0.246 1
1 12 . 18 1 1 A 8 8 PRO C C 8 177.159 175.979 1.180 1
1 16 . 18 1 1 A 9 9 GLU N N 9 120.837 123.815 -2.978 1
1 17 . 18 1 1 A 9 9 GLU H H 9 8.612 8.621 -0.009 1
1 18 . 18 1 1 A 9 9 GLU CA C 9 56.642 55.806 0.836 1
1 19 . 18 1 1 A 9 9 GLU HA H 9 4.282 4.630 -0.348 1
1 20 . 18 1 1 A 9 9 GLU CB C 9 30.181 29.686 0.495 1
1 24 . 18 1 1 A 9 9 GLU C C 9 176.387 175.524 0.863 1
1 27 . 18 1 1 A 10 10 SER N N 10 117.776 121.809 -4.033 1
1 28 . 18 1 1 A 10 10 SER H H 10 8.264 8.575 -0.311 1
1 29 . 18 1 1 A 10 10 SER CA C 10 56.382 57.886 -1.504 1
1 30 . 18 1 1 A 10 10 SER HA H 10 4.763 4.682 0.081 1
1 31 . 18 1 1 A 10 10 SER CB C 10 63.575 62.883 0.692 1
1 33 . 18 1 1 A 10 10 SER C C 10 172.958 172.520 0.438 1
1 35 . 18 1 1 A 11 11 PRO CA C 11 63.404 62.284 1.120 1
1 36 . 18 1 1 A 11 11 PRO HA H 11 4.432 4.623 -0.191 1
1 37 . 18 1 1 A 11 11 PRO CB C 11 31.958 32.939 -0.981 1
1 43 . 18 1 1 A 11 11 PRO C C 11 176.922 176.261 0.661 1
1 47 . 18 1 1 A 12 12 LEU N N 12 121.245 117.256 3.989 1
1 48 . 18 1 1 A 12 12 LEU H H 12 8.172 8.380 -0.208 1
1 49 . 18 1 1 A 12 12 LEU CA C 12 55.521 52.456 3.065 1
1 50 . 18 1 1 A 12 12 LEU HA H 12 4.236 4.958 -0.722 1
1 51 . 18 1 1 A 12 12 LEU CB C 12 42.138 45.362 -3.224 1
1 63 . 18 1 1 A 12 12 LEU C C 12 177.236 176.412 0.824 1
1 65 . 18 1 1 A 13 13 GLN N N 13 120.086 120.286 -0.200 1
1 66 . 18 1 1 A 13 13 GLN H H 13 8.098 8.418 -0.320 1
1 67 . 18 1 1 A 13 13 GLN CA C 13 55.785 56.568 -0.783 1
1 68 . 18 1 1 A 13 13 GLN HA H 13 4.220 4.368 -0.148 1
1 69 . 18 1 1 A 13 13 GLN CB C 13 29.628 28.948 0.680 1
1 76 . 18 1 1 A 13 13 GLN C C 13 175.243 175.601 -0.358 1
1 79 . 18 1 1 A 14 14 PHE N N 14 120.461 119.895 0.566 1
1 80 . 18 1 1 A 14 14 PHE H H 14 8.056 8.853 -0.797 1
1 81 . 18 1 1 A 14 14 PHE CA C 14 57.739 55.544 2.195 1
1 82 . 18 1 1 A 14 14 PHE HA H 14 4.545 5.442 -0.897 1
1 83 . 18 1 1 A 14 14 PHE CB C 14 39.825 40.348 -0.523 1
1 95 . 18 1 1 A 14 14 PHE C C 14 175.022 173.440 1.582 1
1 97 . 18 1 1 A 15 15 TYR N N 15 121.213 126.271 -5.058 1
1 98 . 18 1 1 A 15 15 TYR H H 15 8.004 9.100 -1.096 1
1 99 . 18 1 1 A 15 15 TYR CA C 15 57.756 58.600 -0.844 1
1 100 . 18 1 1 A 15 15 TYR HA H 15 4.506 4.586 -0.080 1
1 101 . 18 1 1 A 15 15 TYR CB C 15 39.012 39.452 -0.440 1
1 111 . 18 1 1 A 15 15 TYR C C 15 175.174 175.205 -0.031 1
1 113 . 18 1 1 A 16 16 VAL N N 16 121.693 118.949 2.744 1
1 114 . 18 1 1 A 16 16 VAL H H 16 7.900 7.435 0.465 1
1 115 . 18 1 1 A 16 16 VAL CA C 16 62.248 59.533 2.715 1
1 116 . 18 1 1 A 16 16 VAL HA H 16 3.932 4.726 -0.794 1
1 117 . 18 1 1 A 16 16 VAL CB C 16 33.023 33.584 -0.561 1
1 127 . 18 1 1 A 16 16 VAL C C 16 175.016 174.843 0.173 1
1 128 . 18 1 1 A 17 17 ASN N N 17 121.488 119.950 1.538 1
1 129 . 18 1 1 A 17 17 ASN H H 17 8.198 8.823 -0.625 1
1 130 . 18 1 1 A 17 17 ASN CA C 17 52.948 51.372 1.576 1
1 131 . 18 1 1 A 17 17 ASN HA H 17 4.630 5.528 -0.898 1
1 132 . 18 1 1 A 17 17 ASN CB C 17 39.289 40.996 -1.707 1
1 137 . 18 1 1 A 17 17 ASN C C 17 174.167 173.428 0.739 1
1 139 . 18 1 1 A 18 18 TYR N N 18 122.069 121.121 0.948 1
1 140 . 18 1 1 A 18 18 TYR H H 18 8.117 8.547 -0.430 1
1 141 . 18 1 1 A 18 18 TYR CA C 18 55.970 55.797 0.173 1
1 142 . 18 1 1 A 18 18 TYR HA H 18 4.771 4.919 -0.148 1
1 143 . 18 1 1 A 18 18 TYR CB C 18 38.260 41.655 -3.395 1
1 153 . 18 1 1 A 18 18 TYR C C 18 173.978 173.221 0.757 1
1 155 . 18 1 1 A 19 19 PRO CA C 19 63.378 62.404 0.974 1
1 156 . 18 1 1 A 19 19 PRO HA H 19 4.414 4.845 -0.431 1
1 157 . 18 1 1 A 19 19 PRO CB C 19 32.018 30.151 1.867 1
1 163 . 18 1 1 A 19 19 PRO C C 19 176.659 176.875 -0.216 1
1 167 . 18 1 1 A 20 20 ASN N N 20 118.582 118.228 0.354 1
1 168 . 18 1 1 A 20 20 ASN H H 20 8.508 8.040 0.468 1
1 169 . 18 1 1 A 20 20 ASN CA C 20 53.334 52.147 1.187 1
1 170 . 18 1 1 A 20 20 ASN HA H 20 4.756 4.956 -0.200 1
1 171 . 18 1 1 A 20 20 ASN CB C 20 38.964 39.622 -0.658 1
1 176 . 18 1 1 A 20 20 ASN C C 20 175.301 175.384 -0.083 1
1 178 . 18 1 1 A 21 21 SER N N 21 115.989 118.421 -2.432 1
1 179 . 18 1 1 A 21 21 SER H H 21 8.360 8.688 -0.328 1
1 180 . 18 1 1 A 21 21 SER CA C 21 58.877 57.520 1.357 1
1 181 . 18 1 1 A 21 21 SER HA H 21 4.481 4.914 -0.433 1
1 182 . 18 1 1 A 21 21 SER CB C 21 63.988 65.071 -1.083 1
1 184 . 18 1 1 A 21 21 SER C C 21 175.006 174.150 0.856 1
1 186 . 18 1 1 A 22 22 GLY N N 22 110.974 109.547 1.427 1
1 187 . 18 1 1 A 22 22 GLY H H 22 8.523 8.647 -0.124 1
1 188 . 18 1 1 A 22 22 GLY CA C 22 45.429 45.522 -0.093 1
1 189 . 18 1 1 A 22 22 GLY HA3 H 22 4.074 4.280 -0.206 1
1 190 . 18 1 1 A 22 22 GLY C C 22 173.860 172.855 1.005 1
1 191 . 18 1 1 A 22 22 GLY HA2 H 22 4.074 4.276 -0.202 1
1 192 . 18 1 1 A 23 23 SER N N 23 115.179 116.872 -1.693 1
1 193 . 18 1 1 A 23 23 SER H H 23 8.190 8.879 -0.689 1
1 194 . 18 1 1 A 23 23 SER CA C 23 58.233 57.429 0.804 1
1 195 . 18 1 1 A 23 23 SER HA H 23 4.511 5.036 -0.525 1
1 196 . 18 1 1 A 23 23 SER CB C 23 64.511 66.167 -1.656 1
1 198 . 18 1 1 A 23 23 SER C C 23 173.263 172.374 0.889 1
1 200 . 18 1 1 A 24 24 VAL N N 24 122.289 120.942 1.347 1
1 201 . 18 1 1 A 24 24 VAL H H 24 7.889 8.612 -0.723 1
1 202 . 18 1 1 A 24 24 VAL CA C 24 61.754 61.075 0.679 1
1 203 . 18 1 1 A 24 24 VAL HA H 24 4.567 4.809 -0.242 1
1 204 . 18 1 1 A 24 24 VAL CB C 24 33.612 33.380 0.232 1
1 214 . 18 1 1 A 24 24 VAL C C 24 174.799 175.055 -0.256 1
1 215 . 18 1 1 A 25 25 SER N N 25 118.995 123.103 -4.108 1
1 216 . 18 1 1 A 25 25 SER H H 25 8.244 8.812 -0.568 1
1 217 . 18 1 1 A 25 25 SER CA C 25 57.102 57.533 -0.431 1
1 218 . 18 1 1 A 25 25 SER HA H 25 5.039 5.164 -0.125 1
1 219 . 18 1 1 A 25 25 SER CB C 25 66.338 66.398 -0.060 1
1 221 . 18 1 1 A 25 25 SER C C 25 171.718 172.678 -0.960 1
1 223 . 18 1 1 A 26 26 ALA N N 26 121.537 126.216 -4.679 1
1 224 . 18 1 1 A 26 26 ALA H H 26 8.503 8.852 -0.349 1
1 225 . 18 1 1 A 26 26 ALA CA C 26 50.695 50.100 0.595 1
1 226 . 18 1 1 A 26 26 ALA HA H 26 5.637 5.283 0.354 1
1 227 . 18 1 1 A 26 26 ALA CB C 26 23.364 21.433 1.931 1
1 231 . 18 1 1 A 26 26 ALA C C 26 175.355 176.063 -0.708 1
1 232 . 18 1 1 A 27 27 TYR N N 27 116.588 118.103 -1.515 1
1 233 . 18 1 1 A 27 27 TYR H H 27 8.885 8.364 0.521 1
1 234 . 18 1 1 A 27 27 TYR CA C 27 57.013 55.488 1.525 1
1 235 . 18 1 1 A 27 27 TYR HA H 27 4.742 5.489 -0.747 1
1 236 . 18 1 1 A 27 27 TYR CB C 27 40.325 41.745 -1.420 1
1 246 . 18 1 1 A 27 27 TYR C C 27 172.990 173.935 -0.945 1
1 248 . 18 1 1 A 28 28 GLY N N 28 108.423 107.296 1.127 1
1 249 . 18 1 1 A 28 28 GLY H H 28 8.475 8.400 0.075 1
1 250 . 18 1 1 A 28 28 GLY CA C 28 44.439 45.389 -0.950 1
1 251 . 18 1 1 A 28 28 GLY HA3 H 28 4.141 4.265 -0.124 1
1 252 . 18 1 1 A 28 28 GLY C C 28 173.419 174.019 -0.600 1
1 253 . 18 1 1 A 28 28 GLY HA2 H 28 5.092 4.248 0.844 1
1 254 . 18 1 1 A 29 29 PRO CA C 29 65.537 63.853 1.684 1
1 255 . 18 1 1 A 29 29 PRO HA H 29 4.298 4.051 0.247 1
1 256 . 18 1 1 A 29 29 PRO CB C 29 31.509 31.684 -0.175 1
1 262 . 18 1 1 A 29 29 PRO C C 29 178.493 177.386 1.107 1
1 266 . 18 1 1 A 30 30 GLY N N 30 102.459 107.217 -4.758 1
1 267 . 18 1 1 A 30 30 GLY H H 30 8.655 8.426 0.229 1
1 268 . 18 1 1 A 30 30 GLY CA C 30 46.245 46.489 -0.244 1
1 269 . 18 1 1 A 30 30 GLY HA3 H 30 3.417 4.103 -0.686 1
1 270 . 18 1 1 A 30 30 GLY C C 30 172.945 175.676 -2.731 1
1 271 . 18 1 1 A 30 30 GLY HA2 H 30 4.316 3.970 0.346 1
1 272 . 18 1 1 A 31 31 LEU N N 31 116.436 123.020 -6.584 1
1 273 . 18 1 1 A 31 31 LEU H H 31 7.049 7.547 -0.498 1
1 274 . 18 1 1 A 31 31 LEU CA C 31 55.368 57.430 -2.062 1
1 275 . 18 1 1 A 31 31 LEU HA H 31 3.784 3.906 -0.122 1
1 276 . 18 1 1 A 31 31 LEU CB C 31 42.148 41.676 0.472 1
1 288 . 18 1 1 A 31 31 LEU C C 31 175.321 178.944 -3.623 1
1 290 . 18 1 1 A 32 32 VAL N N 32 112.078 116.699 -4.621 1
1 291 . 18 1 1 A 32 32 VAL H H 32 7.739 6.974 0.765 1
1 292 . 18 1 1 A 32 32 VAL CA C 32 62.956 65.808 -2.852 1
1 293 . 18 1 1 A 32 32 VAL HA H 32 4.574 3.687 0.887 1
1 294 . 18 1 1 A 32 32 VAL CB C 32 35.415 31.430 3.985 1
1 304 . 18 1 1 A 32 32 VAL C C 32 176.810 175.859 0.951 1
1 305 . 18 1 1 A 33 33 TYR N N 33 121.116 115.739 5.377 1
1 306 . 18 1 1 A 33 33 TYR H H 33 8.638 7.336 1.302 1
1 307 . 18 1 1 A 33 33 TYR CA C 33 56.523 55.973 0.550 1
1 308 . 18 1 1 A 33 33 TYR HA H 33 5.639 5.003 0.636 1
1 309 . 18 1 1 A 33 33 TYR CB C 33 42.165 41.324 0.841 1
1 319 . 18 1 1 A 33 33 TYR C C 33 172.858 173.805 -0.947 1
1 321 . 18 1 1 A 34 34 GLY N N 34 107.313 106.824 0.489 1
1 322 . 18 1 1 A 34 34 GLY H H 34 7.637 8.612 -0.975 1
1 323 . 18 1 1 A 34 34 GLY CA C 34 44.721 45.838 -1.117 1
1 324 . 18 1 1 A 34 34 GLY HA3 H 34 3.793 4.444 -0.651 1
1 325 . 18 1 1 A 34 34 GLY C C 34 170.727 171.565 -0.838 1
1 326 . 18 1 1 A 34 34 GLY HA2 H 34 3.873 4.395 -0.522 1
1 327 . 18 1 1 A 35 35 VAL N N 35 120.853 119.812 1.041 1
1 328 . 18 1 1 A 35 35 VAL H H 35 8.731 8.342 0.389 1
1 329 . 18 1 1 A 35 35 VAL CA C 35 60.627 60.475 0.152 1
1 330 . 18 1 1 A 35 35 VAL HA H 35 4.589 4.768 -0.179 1
1 331 . 18 1 1 A 35 35 VAL CB C 35 35.374 35.346 0.028 1
1 341 . 18 1 1 A 35 35 VAL C C 35 174.813 175.058 -0.245 1
1 342 . 18 1 1 A 36 36 ALA N N 36 127.708 130.687 -2.979 1
1 343 . 18 1 1 A 36 36 ALA H H 36 8.482 8.321 0.161 1
1 344 . 18 1 1 A 36 36 ALA CA C 36 53.332 53.472 -0.140 1
1 345 . 18 1 1 A 36 36 ALA HA H 36 3.535 4.077 -0.542 1
1 346 . 18 1 1 A 36 36 ALA CB C 36 17.653 18.585 -0.932 1
1 350 . 18 1 1 A 36 36 ALA C C 36 176.968 178.144 -1.176 1
1 351 . 18 1 1 A 37 37 ASN N N 37 111.234 116.575 -5.341 1
1 352 . 18 1 1 A 37 37 ASN H H 37 9.147 8.803 0.344 1
1 353 . 18 1 1 A 37 37 ASN CA C 37 55.728 54.245 1.483 1
1 354 . 18 1 1 A 37 37 ASN HA H 37 3.962 4.254 -0.292 1
1 355 . 18 1 1 A 37 37 ASN CB C 37 37.147 37.222 -0.075 1
1 360 . 18 1 1 A 37 37 ASN C C 37 173.119 173.618 -0.499 1
1 362 . 18 1 1 A 38 38 LYS N N 38 119.100 117.963 1.137 1
1 363 . 18 1 1 A 38 38 LYS H H 38 7.972 7.416 0.556 1
1 364 . 18 1 1 A 38 38 LYS CA C 38 54.306 54.985 -0.679 1
1 365 . 18 1 1 A 38 38 LYS HA H 38 4.606 4.905 -0.299 1
1 366 . 18 1 1 A 38 38 LYS CB C 38 34.799 35.718 -0.919 1
1 374 . 18 1 1 A 38 38 LYS C C 38 175.533 174.779 0.754 1
1 379 . 18 1 1 A 39 39 THR N N 39 114.730 116.643 -1.913 1
1 380 . 18 1 1 A 39 39 THR H H 39 8.158 8.460 -0.302 1
1 381 . 18 1 1 A 39 39 THR CA C 39 63.302 62.254 1.048 1
1 382 . 18 1 1 A 39 39 THR HA H 39 4.138 4.168 -0.030 1
1 383 . 18 1 1 A 39 39 THR CB C 39 69.652 69.297 0.355 1
1 389 . 18 1 1 A 39 39 THR C C 39 174.281 174.293 -0.012 1
1 390 . 18 1 1 A 40 40 ALA N N 40 129.891 125.953 3.938 1
1 391 . 18 1 1 A 40 40 ALA H H 40 8.750 8.103 0.647 1
1 392 . 18 1 1 A 40 40 ALA CA C 40 50.399 51.421 -1.022 1
1 393 . 18 1 1 A 40 40 ALA HA H 40 4.702 5.091 -0.389 1
1 394 . 18 1 1 A 40 40 ALA CB C 40 20.495 21.872 -1.377 1
1 398 . 18 1 1 A 40 40 ALA C C 40 176.039 175.350 0.689 1
1 399 . 18 1 1 A 41 41 THR N N 41 112.902 117.090 -4.188 1
1 400 . 18 1 1 A 41 41 THR H H 41 8.536 8.849 -0.313 1
1 401 . 18 1 1 A 41 41 THR CA C 41 59.688 59.818 -0.130 1
1 402 . 18 1 1 A 41 41 THR HA H 41 5.779 5.412 0.367 1
1 403 . 18 1 1 A 41 41 THR CB C 41 72.348 72.188 0.160 1
1 409 . 18 1 1 A 41 41 THR C C 41 173.286 172.837 0.449 1
1 410 . 18 1 1 A 42 42 PHE N N 42 119.525 119.816 -0.291 1
1 411 . 18 1 1 A 42 42 PHE H H 42 8.825 8.305 0.520 1
1 412 . 18 1 1 A 42 42 PHE CA C 42 57.031 55.435 1.596 1
1 413 . 18 1 1 A 42 42 PHE HA H 42 5.013 5.373 -0.360 1
1 414 . 18 1 1 A 42 42 PHE CB C 42 40.155 41.864 -1.709 1
1 426 . 18 1 1 A 42 42 PHE C C 42 171.282 172.622 -1.340 1
1 428 . 18 1 1 A 43 43 THR N N 43 117.427 114.429 2.998 1
1 429 . 18 1 1 A 43 43 THR H H 43 9.210 8.611 0.599 1
1 430 . 18 1 1 A 43 43 THR CA C 43 62.250 60.747 1.503 1
1 431 . 18 1 1 A 43 43 THR HA H 43 4.987 4.983 0.004 1
1 432 . 18 1 1 A 43 43 THR CB C 43 71.510 71.022 0.488 1
1 438 . 18 1 1 A 43 43 THR C C 43 173.061 172.823 0.238 1
1 439 . 18 1 1 A 44 44 ILE N N 44 123.638 125.474 -1.836 1
1 440 . 18 1 1 A 44 44 ILE H H 44 8.859 8.623 0.236 1
1 441 . 18 1 1 A 44 44 ILE CA C 44 59.843 59.805 0.038 1
1 442 . 18 1 1 A 44 44 ILE HA H 44 4.824 4.540 0.284 1
1 443 . 18 1 1 A 44 44 ILE CB C 44 40.866 40.132 0.734 1
1 455 . 18 1 1 A 44 44 ILE C C 44 174.707 175.395 -0.688 1
1 457 . 18 1 1 A 45 45 VAL N N 45 128.904 129.044 -0.140 1
1 458 . 18 1 1 A 45 45 VAL H H 45 9.299 8.397 0.902 1
1 459 . 18 1 1 A 45 45 VAL CA C 45 62.119 63.023 -0.904 1
1 460 . 18 1 1 A 45 45 VAL HA H 45 4.492 4.285 0.207 1
1 461 . 18 1 1 A 45 45 VAL CB C 45 32.683 32.079 0.604 1
1 471 . 18 1 1 A 45 45 VAL C C 45 175.606 175.297 0.309 1
1 472 . 18 1 1 A 46 46 THR N N 46 117.412 120.743 -3.331 1
1 473 . 18 1 1 A 46 46 THR H H 46 8.434 8.874 -0.440 1
1 474 . 18 1 1 A 46 46 THR CA C 46 60.650 59.844 0.806 1
1 475 . 18 1 1 A 46 46 THR HA H 46 4.505 4.959 -0.454 1
1 476 . 18 1 1 A 46 46 THR CB C 46 69.432 69.079 0.353 1
1 482 . 18 1 1 A 46 46 THR C C 46 174.882 172.962 1.920 1
1 483 . 18 1 1 A 47 47 GLU N N 47 122.657 127.544 -4.887 1
1 484 . 18 1 1 A 47 47 GLU H H 47 8.052 8.811 -0.759 1
1 485 . 18 1 1 A 47 47 GLU CA C 47 57.419 55.266 2.153 1
1 486 . 18 1 1 A 47 47 GLU HA H 47 4.231 4.614 -0.383 1
1 487 . 18 1 1 A 47 47 GLU CB C 47 30.281 27.769 2.512 1
1 491 . 18 1 1 A 47 47 GLU C C 47 175.887 176.714 -0.827 1
1 494 . 18 1 1 A 48 48 ASP N N 48 120.269 121.456 -1.187 1
1 495 . 18 1 1 A 48 48 ASP H H 48 8.536 8.379 0.157 1
1 496 . 18 1 1 A 48 48 ASP CA C 48 54.396 55.001 -0.605 1
1 497 . 18 1 1 A 48 48 ASP HA H 48 4.638 4.311 0.327 1
1 498 . 18 1 1 A 48 48 ASP CB C 48 40.979 39.322 1.657 1
1 500 . 18 1 1 A 48 48 ASP C C 48 175.709 176.306 -0.597 1
1 502 . 18 1 1 A 49 49 ALA N N 49 122.506 120.668 1.838 1
1 503 . 18 1 1 A 49 49 ALA H H 49 8.109 8.361 -0.252 1
1 504 . 18 1 1 A 49 49 ALA CA C 49 52.774 51.473 1.301 1
1 505 . 18 1 1 A 49 49 ALA HA H 49 4.195 4.439 -0.244 1
1 506 . 18 1 1 A 49 49 ALA CB C 49 19.343 19.255 0.088 1
1 510 . 18 1 1 A 49 49 ALA C C 49 178.316 177.470 0.846 1
1 511 . 18 1 1 A 50 50 GLY N N 50 107.563 107.199 0.364 1
1 512 . 18 1 1 A 50 50 GLY H H 50 8.269 7.740 0.529 1
1 513 . 18 1 1 A 50 50 GLY CA C 50 45.288 46.199 -0.911 1
1 514 . 18 1 1 A 50 50 GLY HA3 H 50 3.993 3.896 0.097 1
1 515 . 18 1 1 A 50 50 GLY C C 50 174.421 175.095 -0.674 1
1 516 . 18 1 1 A 50 50 GLY HA2 H 50 3.993 3.827 0.166 1
1 517 . 18 1 1 A 51 51 GLU N N 51 121.358 120.047 1.311 1
1 518 . 18 1 1 A 51 51 GLU H H 51 8.519 8.582 -0.063 1
1 519 . 18 1 1 A 51 51 GLU CA C 51 56.890 55.529 1.361 1
1 520 . 18 1 1 A 51 51 GLU HA H 51 4.309 4.346 -0.037 1
1 521 . 18 1 1 A 51 51 GLU CB C 51 30.204 29.386 0.818 1
1 525 . 18 1 1 A 51 51 GLU C C 51 177.003 176.863 0.140 1
1 528 . 18 1 1 A 52 52 GLY N N 52 109.575 108.490 1.085 1
1 529 . 18 1 1 A 52 52 GLY H H 52 8.349 7.949 0.400 1
1 530 . 18 1 1 A 52 52 GLY CA C 52 45.571 46.363 -0.792 1
1 531 . 18 1 1 A 52 52 GLY HA3 H 52 3.895 3.892 0.003 1
1 532 . 18 1 1 A 52 52 GLY C C 52 173.666 173.773 -0.107 1
1 533 . 18 1 1 A 52 52 GLY HA2 H 52 3.810 3.879 -0.069 1
1 534 . 18 1 1 A 53 53 GLY N N 53 106.657 107.250 -0.593 1
1 535 . 18 1 1 A 53 53 GLY H H 53 7.893 7.324 0.569 1
1 536 . 18 1 1 A 53 53 GLY CA C 53 45.199 45.436 -0.237 1
1 537 . 18 1 1 A 53 53 GLY HA3 H 53 3.613 4.109 -0.496 1
1 538 . 18 1 1 A 53 53 GLY C C 53 173.414 173.993 -0.579 1
1 539 . 18 1 1 A 53 53 GLY HA2 H 53 4.036 4.062 -0.026 1
1 540 . 18 1 1 A 54 54 LEU N N 54 124.121 123.451 0.670 1
1 541 . 18 1 1 A 54 54 LEU H H 54 8.241 8.224 0.017 1
1 542 . 18 1 1 A 54 54 LEU CA C 54 54.528 54.277 0.251 1
1 543 . 18 1 1 A 54 54 LEU HA H 54 5.056 5.017 0.039 1
1 544 . 18 1 1 A 54 54 LEU CB C 54 44.325 43.744 0.581 1
1 556 . 18 1 1 A 54 54 LEU C C 54 176.080 174.730 1.350 1
1 558 . 18 1 1 A 55 55 ASP N N 55 126.024 125.972 0.052 1
1 559 . 18 1 1 A 55 55 ASP H H 55 8.981 8.695 0.286 1
1 560 . 18 1 1 A 55 55 ASP CA C 55 54.095 52.867 1.228 1
1 561 . 18 1 1 A 55 55 ASP HA H 55 4.879 5.481 -0.602 1
1 562 . 18 1 1 A 55 55 ASP CB C 55 44.582 44.062 0.520 1
1 564 . 18 1 1 A 55 55 ASP C C 55 173.601 174.737 -1.136 1
1 566 . 18 1 1 A 56 56 LEU N N 56 125.098 124.934 0.164 1
1 567 . 18 1 1 A 56 56 LEU H H 56 8.300 9.132 -0.832 1
1 568 . 18 1 1 A 56 56 LEU CA C 56 53.221 53.542 -0.321 1
1 569 . 18 1 1 A 56 56 LEU HA H 56 5.422 5.271 0.151 1
1 570 . 18 1 1 A 56 56 LEU CB C 56 46.028 44.939 1.089 1
1 582 . 18 1 1 A 56 56 LEU C C 56 175.700 175.392 0.308 1
1 584 . 18 1 1 A 57 57 ALA N N 57 125.664 124.077 1.587 1
1 585 . 18 1 1 A 57 57 ALA H H 57 8.840 8.652 0.188 1
1 586 . 18 1 1 A 57 57 ALA CA C 57 51.851 50.697 1.154 1
1 587 . 18 1 1 A 57 57 ALA HA H 57 4.600 5.204 -0.604 1
1 588 . 18 1 1 A 57 57 ALA CB C 57 22.862 23.743 -0.881 1
1 592 . 18 1 1 A 57 57 ALA C C 57 174.504 175.266 -0.762 1
1 593 . 18 1 1 A 58 58 ILE N N 58 119.429 120.242 -0.813 1
1 594 . 18 1 1 A 58 58 ILE H H 58 8.617 8.718 -0.101 1
1 595 . 18 1 1 A 58 58 ILE CA C 58 60.143 60.147 -0.004 1
1 596 . 18 1 1 A 58 58 ILE HA H 58 5.272 4.937 0.335 1
1 597 . 18 1 1 A 58 58 ILE CB C 58 41.068 41.980 -0.912 1
1 609 . 18 1 1 A 58 58 ILE C C 58 175.328 174.661 0.667 1
1 611 . 18 1 1 A 59 59 GLU N N 59 128.665 124.090 4.575 1
1 612 . 18 1 1 A 59 59 GLU H H 59 9.315 8.641 0.674 1
1 613 . 18 1 1 A 59 59 GLU CA C 59 54.166 54.841 -0.675 1
1 614 . 18 1 1 A 59 59 GLU HA H 59 4.920 5.191 -0.271 1
1 615 . 18 1 1 A 59 59 GLU CB C 59 32.698 33.427 -0.729 1
1 619 . 18 1 1 A 59 59 GLU C C 59 175.108 175.487 -0.379 1
1 622 . 18 1 1 A 60 60 GLY N N 60 110.929 108.748 2.181 1
1 623 . 18 1 1 A 60 60 GLY H H 60 8.427 8.354 0.073 1
1 624 . 18 1 1 A 60 60 GLY CA C 60 45.608 44.885 0.723 1
1 625 . 18 1 1 A 60 60 GLY HA3 H 60 3.927 4.143 -0.216 1
1 626 . 18 1 1 A 60 60 GLY C C 60 171.379 174.086 -2.707 1
1 627 . 18 1 1 A 60 60 GLY HA2 H 60 3.531 4.014 -0.483 1
1 628 . 18 1 1 A 61 61 PRO CA C 61 64.103 63.949 0.154 1
1 629 . 18 1 1 A 61 61 PRO HA H 61 4.270 4.480 -0.210 1
1 630 . 18 1 1 A 61 61 PRO CB C 61 32.206 31.896 0.310 1
1 636 . 18 1 1 A 61 61 PRO C C 61 176.075 175.964 0.111 1
1 640 . 18 1 1 A 62 62 SER N N 62 108.474 112.039 -3.565 1
1 641 . 18 1 1 A 62 62 SER H H 62 7.099 7.539 -0.440 1
1 642 . 18 1 1 A 62 62 SER CA C 62 56.398 57.110 -0.712 1
1 643 . 18 1 1 A 62 62 SER HA H 62 4.655 4.704 -0.049 1
1 644 . 18 1 1 A 62 62 SER CB C 62 67.457 65.644 1.813 1
1 646 . 18 1 1 A 62 62 SER C C 62 172.805 172.404 0.401 1
1 648 . 18 1 1 A 63 63 LYS N N 63 122.679 125.758 -3.079 1
1 649 . 18 1 1 A 63 63 LYS H H 63 8.653 8.430 0.223 1
1 650 . 18 1 1 A 63 63 LYS CA C 63 55.822 56.492 -0.670 1
1 651 . 18 1 1 A 63 63 LYS HA H 63 4.449 4.633 -0.184 1
1 652 . 18 1 1 A 63 63 LYS CB C 63 31.384 33.486 -2.102 1
1 660 . 18 1 1 A 63 63 LYS C C 63 175.601 175.995 -0.394 1
1 665 . 18 1 1 A 64 64 ALA N N 64 130.710 127.971 2.739 1
1 666 . 18 1 1 A 64 64 ALA H H 64 8.690 8.629 0.061 1
1 667 . 18 1 1 A 64 64 ALA CA C 64 51.425 50.079 1.346 1
1 668 . 18 1 1 A 64 64 ALA HA H 64 4.578 5.274 -0.696 1
1 669 . 18 1 1 A 64 64 ALA CB C 64 19.803 23.808 -4.005 1
1 673 . 18 1 1 A 64 64 ALA C C 64 176.395 175.879 0.516 1
1 674 . 18 1 1 A 65 65 GLU N N 65 123.534 119.258 4.276 1
1 675 . 18 1 1 A 65 65 GLU H H 65 8.397 8.604 -0.207 1
1 676 . 18 1 1 A 65 65 GLU CA C 65 56.854 55.282 1.572 1
1 677 . 18 1 1 A 65 65 GLU HA H 65 4.278 4.972 -0.694 1
1 678 . 18 1 1 A 65 65 GLU CB C 65 30.346 32.070 -1.724 1
1 682 . 18 1 1 A 65 65 GLU C C 65 176.381 175.690 0.691 1
1 685 . 18 1 1 A 66 66 ILE N N 66 124.380 120.952 3.428 1
1 686 . 18 1 1 A 66 66 ILE H H 66 8.541 8.540 0.001 1
1 687 . 18 1 1 A 66 66 ILE CA C 66 60.568 60.285 0.283 1
1 688 . 18 1 1 A 66 66 ILE HA H 66 4.865 4.942 -0.077 1
1 689 . 18 1 1 A 66 66 ILE CB C 66 41.804 41.980 -0.176 1
1 701 . 18 1 1 A 66 66 ILE C C 66 175.421 174.798 0.623 1
1 703 . 18 1 1 A 67 67 SER N N 67 122.057 125.081 -3.024 1
1 704 . 18 1 1 A 67 67 SER H H 67 9.035 8.899 0.136 1
1 705 . 18 1 1 A 67 67 SER CA C 67 56.908 57.801 -0.893 1
1 706 . 18 1 1 A 67 67 SER HA H 67 4.729 5.078 -0.349 1
1 707 . 18 1 1 A 67 67 SER CB C 67 64.980 64.256 0.724 1
1 709 . 18 1 1 A 67 67 SER C C 67 172.294 173.290 -0.996 1
1 711 . 18 1 1 A 68 68 CYS N N 68 124.699 125.317 -0.618 1
1 712 . 18 1 1 A 68 68 CYS H H 68 8.732 8.944 -0.212 1
1 713 . 18 1 1 A 68 68 CYS CA C 68 57.310 57.382 -0.072 1
1 714 . 18 1 1 A 68 68 CYS HA H 68 5.038 5.226 -0.188 1
1 715 . 18 1 1 A 68 68 CYS CB C 68 28.380 29.371 -0.991 1
1 717 . 18 1 1 A 68 68 CYS C C 68 173.135 173.654 -0.519 1
1 719 . 18 1 1 A 69 69 ILE N N 69 128.680 124.574 4.106 1
1 720 . 18 1 1 A 69 69 ILE H H 69 8.757 8.642 0.115 1
1 721 . 18 1 1 A 69 69 ILE CA C 69 59.153 60.142 -0.989 1
1 722 . 18 1 1 A 69 69 ILE HA H 69 4.350 4.487 -0.137 1
1 723 . 18 1 1 A 69 69 ILE CB C 69 40.750 41.940 -1.190 1
1 735 . 18 1 1 A 69 69 ILE C C 69 174.363 174.174 0.189 1
1 737 . 18 1 1 A 70 70 ASP N N 70 126.290 128.697 -2.407 1
1 738 . 18 1 1 A 70 70 ASP H H 70 8.596 8.912 -0.316 1
1 739 . 18 1 1 A 70 70 ASP CA C 70 53.671 53.871 -0.200 1
1 740 . 18 1 1 A 70 70 ASP HA H 70 4.892 4.719 0.173 1
1 741 . 18 1 1 A 70 70 ASP CB C 70 41.069 41.831 -0.762 1
1 743 . 18 1 1 A 70 70 ASP C C 70 176.812 175.999 0.813 1
1 745 . 18 1 1 A 71 71 ASN N N 71 125.163 122.002 3.161 1
1 746 . 18 1 1 A 71 71 ASN H H 71 8.745 8.604 0.141 1
1 747 . 18 1 1 A 71 71 ASN CA C 71 54.626 51.846 2.780 1
1 748 . 18 1 1 A 71 71 ASN HA H 71 4.647 5.063 -0.416 1
1 749 . 18 1 1 A 71 71 ASN CB C 71 38.688 40.755 -2.067 1
1 754 . 18 1 1 A 71 71 ASN C C 71 175.657 176.614 -0.957 1
1 756 . 18 1 1 A 72 72 LYS N N 72 114.425 123.023 -8.598 1
1 757 . 18 1 1 A 72 72 LYS H H 72 9.407 8.935 0.472 1
1 758 . 18 1 1 A 72 72 LYS CA C 72 57.535 58.271 -0.736 1
1 759 . 18 1 1 A 72 72 LYS HA H 72 4.028 4.065 -0.037 1
1 760 . 18 1 1 A 72 72 LYS CB C 72 28.393 31.896 -3.503 1
1 768 . 18 1 1 A 72 72 LYS C C 72 175.123 178.066 -2.943 1
1 773 . 18 1 1 A 73 73 ASP N N 73 117.581 115.870 1.711 1
1 774 . 18 1 1 A 73 73 ASP H H 73 7.881 7.878 0.003 1
1 775 . 18 1 1 A 73 73 ASP CA C 73 52.274 54.266 -1.992 1
1 776 . 18 1 1 A 73 73 ASP HA H 73 4.769 4.603 0.166 1
1 777 . 18 1 1 A 73 73 ASP CB C 73 41.210 41.261 -0.051 1
1 779 . 18 1 1 A 73 73 ASP C C 73 177.197 176.241 0.956 1
1 781 . 18 1 1 A 74 74 GLY N N 74 109.385 105.785 3.600 1
1 782 . 18 1 1 A 74 74 GLY H H 74 8.781 7.892 0.889 1
1 783 . 18 1 1 A 74 74 GLY CA C 74 45.179 44.917 0.262 1
1 784 . 18 1 1 A 74 74 GLY HA3 H 74 3.673 4.085 -0.412 1
1 785 . 18 1 1 A 74 74 GLY C C 74 173.671 174.364 -0.693 1
1 786 . 18 1 1 A 74 74 GLY HA2 H 74 4.469 4.081 0.388 1
1 787 . 18 1 1 A 75 75 THR N N 75 110.220 112.186 -1.966 1
1 788 . 18 1 1 A 75 75 THR H H 75 8.179 7.753 0.426 1
1 789 . 18 1 1 A 75 75 THR CA C 75 59.843 60.535 -0.692 1
1 790 . 18 1 1 A 75 75 THR HA H 75 5.678 4.809 0.869 1
1 791 . 18 1 1 A 75 75 THR CB C 75 73.810 71.195 2.615 1
1 797 . 18 1 1 A 75 75 THR C C 75 173.912 173.472 0.440 1
1 798 . 18 1 1 A 76 76 CYS N N 76 117.252 120.199 -2.947 1
1 799 . 18 1 1 A 76 76 CYS H H 76 9.295 8.985 0.310 1
1 800 . 18 1 1 A 76 76 CYS CA C 76 56.716 56.995 -0.279 1
1 801 . 18 1 1 A 76 76 CYS HA H 76 5.517 5.274 0.243 1
1 802 . 18 1 1 A 76 76 CYS CB C 76 31.176 29.504 1.672 1
1 804 . 18 1 1 A 76 76 CYS C C 76 174.083 173.127 0.956 1
1 806 . 18 1 1 A 77 77 THR N N 77 121.477 119.912 1.565 1
1 807 . 18 1 1 A 77 77 THR H H 77 9.137 9.274 -0.137 1
1 808 . 18 1 1 A 77 77 THR CA C 77 62.565 61.846 0.719 1
1 809 . 18 1 1 A 77 77 THR HA H 77 4.592 4.602 -0.010 1
1 810 . 18 1 1 A 77 77 THR CB C 77 70.447 69.044 1.403 1
1 816 . 18 1 1 A 77 77 THR C C 77 173.469 173.467 0.002 1
1 817 . 18 1 1 A 78 78 VAL N N 78 131.586 127.561 4.025 1
1 818 . 18 1 1 A 78 78 VAL H H 78 9.099 8.087 1.012 1
1 819 . 18 1 1 A 78 78 VAL CA C 78 60.604 61.306 -0.702 1
1 820 . 18 1 1 A 78 78 VAL HA H 78 4.672 4.748 -0.076 1
1 821 . 18 1 1 A 78 78 VAL CB C 78 32.061 31.622 0.439 1
1 831 . 18 1 1 A 78 78 VAL C C 78 174.618 174.965 -0.347 1
1 832 . 18 1 1 A 79 79 THR N N 79 120.071 123.562 -3.491 1
1 833 . 18 1 1 A 79 79 THR H H 79 8.782 8.587 0.195 1
1 834 . 18 1 1 A 79 79 THR CA C 79 59.685 62.196 -2.511 1
1 835 . 18 1 1 A 79 79 THR HA H 79 5.424 5.079 0.345 1
1 836 . 18 1 1 A 79 79 THR CB C 79 71.374 70.532 0.842 1
1 842 . 18 1 1 A 79 79 THR C C 79 173.250 173.561 -0.311 1
1 843 . 18 1 1 A 80 80 TYR N N 80 120.212 121.378 -1.166 1
1 844 . 18 1 1 A 80 80 TYR H H 80 9.132 8.459 0.673 1
1 845 . 18 1 1 A 80 80 TYR CA C 80 55.554 56.009 -0.455 1
1 846 . 18 1 1 A 80 80 TYR HA H 80 5.686 5.526 0.160 1
1 847 . 18 1 1 A 80 80 TYR CB C 80 42.143 41.533 0.610 1
1 857 . 18 1 1 A 80 80 TYR C C 80 172.856 172.615 0.241 1
1 859 . 18 1 1 A 81 81 LEU N N 81 121.355 122.685 -1.330 1
1 860 . 18 1 1 A 81 81 LEU H H 81 7.729 8.743 -1.014 1
1 861 . 18 1 1 A 81 81 LEU CA C 81 50.912 50.937 -0.025 1
1 862 . 18 1 1 A 81 81 LEU HA H 81 4.991 4.458 0.533 1
1 863 . 18 1 1 A 81 81 LEU CB C 81 43.636 45.482 -1.846 1
1 875 . 18 1 1 A 81 81 LEU C C 81 172.982 174.833 -1.851 1
1 877 . 18 1 1 A 82 82 PRO CA C 82 61.629 62.597 -0.968 1
1 878 . 18 1 1 A 82 82 PRO HA H 82 4.587 4.717 -0.130 1
1 879 . 18 1 1 A 82 82 PRO CB C 82 32.091 32.686 -0.595 1
1 885 . 18 1 1 A 82 82 PRO C C 82 177.683 176.952 0.731 1
1 889 . 18 1 1 A 83 83 THR N N 83 112.637 113.786 -1.149 1
1 890 . 18 1 1 A 83 83 THR H H 83 8.438 8.486 -0.048 1
1 891 . 18 1 1 A 83 83 THR CA C 83 62.207 63.231 -1.024 1
1 892 . 18 1 1 A 83 83 THR HA H 83 4.305 4.444 -0.139 1
1 893 . 18 1 1 A 83 83 THR CB C 83 69.155 69.800 -0.645 1
1 899 . 18 1 1 A 83 83 THR C C 83 173.582 174.591 -1.009 1
1 900 . 18 1 1 A 84 84 LEU N N 84 118.186 119.511 -1.325 1
1 901 . 18 1 1 A 84 84 LEU H H 84 6.839 7.635 -0.796 1
1 902 . 18 1 1 A 84 84 LEU CA C 84 51.513 51.508 0.005 1
1 903 . 18 1 1 A 84 84 LEU HA H 84 4.976 4.921 0.055 1
1 904 . 18 1 1 A 84 84 LEU CB C 84 45.838 45.598 0.240 1
1 916 . 18 1 1 A 84 84 LEU C C 84 175.119 174.408 0.711 1
1 918 . 18 1 1 A 85 85 PRO CA C 85 62.660 63.270 -0.610 1
1 919 . 18 1 1 A 85 85 PRO HA H 85 4.347 4.864 -0.517 1
1 920 . 18 1 1 A 85 85 PRO CB C 85 32.801 31.596 1.205 1
1 926 . 18 1 1 A 85 85 PRO C C 85 174.117 176.257 -2.140 1
1 930 . 18 1 1 A 86 86 GLY N N 86 106.704 108.678 -1.974 1
1 931 . 18 1 1 A 86 86 GLY H H 86 9.065 8.070 0.995 1
1 932 . 18 1 1 A 86 86 GLY CA C 86 44.520 45.574 -1.054 1
1 933 . 18 1 1 A 86 86 GLY HA3 H 86 3.838 4.095 -0.257 1
1 934 . 18 1 1 A 86 86 GLY C C 86 171.468 171.529 -0.061 1
1 935 . 18 1 1 A 86 86 GLY HA2 H 86 4.408 4.004 0.404 1
1 936 . 18 1 1 A 87 87 ASP N N 87 120.573 120.856 -0.283 1
1 937 . 18 1 1 A 87 87 ASP H H 87 8.275 8.629 -0.354 1
1 938 . 18 1 1 A 87 87 ASP CA C 87 53.500 55.315 -1.815 1
1 939 . 18 1 1 A 87 87 ASP HA H 87 5.498 4.525 0.973 1
1 940 . 18 1 1 A 87 87 ASP CB C 87 40.877 40.650 0.227 1
1 942 . 18 1 1 A 87 87 ASP C C 87 176.069 175.788 0.281 1
1 944 . 18 1 1 A 88 88 TYR N N 88 124.115 123.416 0.699 1
1 945 . 18 1 1 A 88 88 TYR H H 88 9.510 8.988 0.522 1
1 946 . 18 1 1 A 88 88 TYR CA C 88 56.667 56.978 -0.311 1
1 947 . 18 1 1 A 88 88 TYR HA H 88 4.983 5.193 -0.210 1
1 948 . 18 1 1 A 88 88 TYR CB C 88 39.633 40.359 -0.726 1
1 958 . 18 1 1 A 88 88 TYR C C 88 174.533 175.309 -0.776 1
1 960 . 18 1 1 A 89 89 SER N N 89 118.331 120.778 -2.447 1
1 961 . 18 1 1 A 89 89 SER H H 89 9.200 8.882 0.318 1
1 962 . 18 1 1 A 89 89 SER CA C 89 56.737 58.140 -1.403 1
1 963 . 18 1 1 A 89 89 SER HA H 89 5.346 4.877 0.469 1
1 964 . 18 1 1 A 89 89 SER CB C 89 64.421 63.009 1.412 1
1 966 . 18 1 1 A 89 89 SER C C 89 173.462 173.633 -0.171 1
1 968 . 18 1 1 A 90 90 ILE N N 90 127.805 127.068 0.737 1
1 969 . 18 1 1 A 90 90 ILE H H 90 9.536 8.463 1.073 1
1 970 . 18 1 1 A 90 90 ILE CA C 90 61.209 61.526 -0.317 1
1 971 . 18 1 1 A 90 90 ILE HA H 90 4.505 4.444 0.061 1
1 972 . 18 1 1 A 90 90 ILE CB C 90 39.225 37.806 1.419 1
1 984 . 18 1 1 A 90 90 ILE C C 90 174.259 175.484 -1.225 1
1 986 . 18 1 1 A 91 91 LEU N N 91 129.968 127.940 2.028 1
1 987 . 18 1 1 A 91 91 LEU H H 91 9.354 9.096 0.258 1
1 988 . 18 1 1 A 91 91 LEU CA C 91 55.510 54.011 1.499 1
1 989 . 18 1 1 A 91 91 LEU HA H 91 4.774 5.095 -0.321 1
1 990 . 18 1 1 A 91 91 LEU CB C 91 42.674 43.624 -0.950 1
1 1002 . 18 1 1 A 91 91 LEU C C 91 175.517 175.512 0.005 1
1 1004 . 18 1 1 A 92 92 VAL N N 92 124.859 126.254 -1.395 1
1 1005 . 18 1 1 A 92 92 VAL H H 92 9.431 8.835 0.596 1
1 1006 . 18 1 1 A 92 92 VAL CA C 92 61.488 60.800 0.688 1
1 1007 . 18 1 1 A 92 92 VAL HA H 92 4.626 5.152 -0.526 1
1 1008 . 18 1 1 A 92 92 VAL CB C 92 33.437 34.738 -1.301 1
1 1018 . 18 1 1 A 92 92 VAL C C 92 173.589 174.889 -1.300 1
1 1019 . 18 1 1 A 93 93 LYS N N 93 123.909 125.938 -2.029 1
1 1020 . 18 1 1 A 93 93 LYS H H 93 8.660 8.908 -0.248 1
1 1021 . 18 1 1 A 93 93 LYS CA C 93 53.953 54.225 -0.272 1
1 1022 . 18 1 1 A 93 93 LYS HA H 93 5.017 4.895 0.122 1
1 1023 . 18 1 1 A 93 93 LYS CB C 93 36.475 35.927 0.548 1
1 1031 . 18 1 1 A 93 93 LYS C C 93 174.746 174.602 0.144 1
1 1036 . 18 1 1 A 94 94 TYR N N 94 120.499 122.729 -2.230 1
1 1037 . 18 1 1 A 94 94 TYR H H 94 8.821 9.345 -0.524 1
1 1038 . 18 1 1 A 94 94 TYR CA C 94 56.438 57.617 -1.179 1
1 1039 . 18 1 1 A 94 94 TYR HA H 94 5.161 4.853 0.308 1
1 1040 . 18 1 1 A 94 94 TYR CB C 94 41.931 41.142 0.789 1
1 1050 . 18 1 1 A 94 94 TYR C C 94 176.635 174.992 1.643 1
1 1052 . 18 1 1 A 95 95 ASN N N 95 128.155 125.775 2.380 1
1 1053 . 18 1 1 A 95 95 ASN H H 95 8.872 9.326 -0.454 1
1 1054 . 18 1 1 A 95 95 ASN CA C 95 54.360 53.997 0.363 1
1 1055 . 18 1 1 A 95 95 ASN HA H 95 4.215 4.291 -0.076 1
1 1056 . 18 1 1 A 95 95 ASN CB C 95 36.735 37.013 -0.278 1
1 1061 . 18 1 1 A 95 95 ASN C C 95 174.592 174.091 0.501 1
1 1063 . 18 1 1 A 96 96 ASP N N 96 110.440 116.982 -6.542 1
1 1064 . 18 1 1 A 96 96 ASP H H 96 9.304 8.498 0.806 1
1 1065 . 18 1 1 A 96 96 ASP CA C 96 55.920 55.367 0.553 1
1 1066 . 18 1 1 A 96 96 ASP HA H 96 4.030 4.234 -0.204 1
1 1067 . 18 1 1 A 96 96 ASP CB C 96 40.704 40.069 0.635 1
1 1069 . 18 1 1 A 96 96 ASP C C 96 174.657 174.627 0.030 1
1 1071 . 18 1 1 A 97 97 LYS N N 97 118.806 117.894 0.912 1
1 1072 . 18 1 1 A 97 97 LYS H H 97 7.482 7.515 -0.033 1
1 1073 . 18 1 1 A 97 97 LYS CA C 97 54.378 54.855 -0.477 1
1 1074 . 18 1 1 A 97 97 LYS HA H 97 4.715 4.773 -0.058 1
1 1075 . 18 1 1 A 97 97 LYS CB C 97 35.127 35.076 0.051 1
1 1083 . 18 1 1 A 97 97 LYS C C 97 176.499 175.294 1.205 1
1 1088 . 18 1 1 A 98 98 HIS N N 98 124.063 122.540 1.523 1
1 1089 . 18 1 1 A 98 98 HIS H H 98 8.795 9.071 -0.276 1
1 1090 . 18 1 1 A 98 98 HIS CA C 98 58.870 55.911 2.959 1
1 1091 . 18 1 1 A 98 98 HIS HA H 98 4.496 4.885 -0.389 1
1 1092 . 18 1 1 A 98 98 HIS CB C 98 32.178 29.916 2.262 1
1 1098 . 18 1 1 A 98 98 HIS C C 98 177.720 175.231 2.489 1
1 1100 . 18 1 1 A 99 99 ILE N N 99 120.049 122.521 -2.472 1
1 1101 . 18 1 1 A 99 99 ILE H H 99 8.380 8.500 -0.120 1
1 1102 . 18 1 1 A 99 99 ILE CA C 99 60.674 60.137 0.537 1
1 1103 . 18 1 1 A 99 99 ILE HA H 99 4.696 4.273 0.423 1
1 1104 . 18 1 1 A 99 99 ILE CB C 99 35.539 37.856 -2.317 1
1 1116 . 18 1 1 A 99 99 ILE C C 99 173.419 175.476 -2.057 1
1 1118 . 18 1 1 A 100 100 PRO CA C 100 65.343 63.695 1.648 1
1 1119 . 18 1 1 A 100 100 PRO HA H 100 4.255 4.319 -0.064 1
1 1120 . 18 1 1 A 100 100 PRO CB C 100 31.128 31.217 -0.089 1
1 1126 . 18 1 1 A 100 100 PRO C C 100 176.734 177.499 -0.765 1
1 1130 . 18 1 1 A 101 101 GLY N N 101 113.906 113.212 0.694 1
1 1131 . 18 1 1 A 101 101 GLY H H 101 8.167 8.750 -0.583 1
1 1132 . 18 1 1 A 101 101 GLY CA C 101 44.668 44.707 -0.039 1
1 1133 . 18 1 1 A 101 101 GLY HA3 H 101 3.120 3.892 -0.772 1
1 1134 . 18 1 1 A 101 101 GLY C C 101 171.985 173.615 -1.630 1
1 1135 . 18 1 1 A 101 101 GLY HA2 H 101 4.140 3.830 0.310 1
1 1136 . 18 1 1 A 102 102 SER N N 102 112.418 116.259 -3.841 1
1 1137 . 18 1 1 A 102 102 SER H H 102 7.641 7.155 0.486 1
1 1138 . 18 1 1 A 102 102 SER CA C 102 54.770 54.496 0.274 1
1 1139 . 18 1 1 A 102 102 SER HA H 102 4.107 3.962 0.145 1
1 1140 . 18 1 1 A 102 102 SER CB C 102 62.454 64.480 -2.026 1
1 1142 . 18 1 1 A 102 102 SER C C 102 174.682 172.527 2.155 1
1 1144 . 18 1 1 A 103 103 PRO CA C 103 62.301 62.178 0.123 1
1 1145 . 18 1 1 A 103 103 PRO HA H 103 5.363 4.809 0.554 1
1 1146 . 18 1 1 A 103 103 PRO CB C 103 33.964 32.735 1.229 1
1 1152 . 18 1 1 A 103 103 PRO C C 103 176.438 174.791 1.647 1
1 1156 . 18 1 1 A 104 104 PHE N N 104 126.067 119.501 6.566 1
1 1157 . 18 1 1 A 104 104 PHE H H 104 9.449 8.140 1.309 1
1 1158 . 18 1 1 A 104 104 PHE CA C 104 57.102 56.467 0.635 1
1 1159 . 18 1 1 A 104 104 PHE HA H 104 4.621 5.105 -0.484 1
1 1160 . 18 1 1 A 104 104 PHE CB C 104 40.656 42.524 -1.868 1
1 1170 . 18 1 1 A 104 104 PHE C C 104 176.313 174.688 1.625 1
1 1172 . 18 1 1 A 105 105 THR N N 105 118.402 117.687 0.715 1
1 1173 . 18 1 1 A 105 105 THR H H 105 8.842 8.946 -0.104 1
1 1174 . 18 1 1 A 105 105 THR CA C 105 62.018 61.801 0.217 1
1 1175 . 18 1 1 A 105 105 THR HA H 105 5.153 4.852 0.301 1
1 1176 . 18 1 1 A 105 105 THR CB C 105 70.095 69.059 1.036 1
1 1182 . 18 1 1 A 105 105 THR C C 105 172.525 173.487 -0.962 1
1 1183 . 18 1 1 A 106 106 ALA N N 106 131.132 130.296 0.836 1
1 1184 . 18 1 1 A 106 106 ALA H H 106 9.192 8.412 0.780 1
1 1185 . 18 1 1 A 106 106 ALA CA C 106 50.187 51.421 -1.234 1
1 1186 . 18 1 1 A 106 106 ALA HA H 106 4.435 4.984 -0.549 1
1 1187 . 18 1 1 A 106 106 ALA CB C 106 21.021 19.327 1.694 1
1 1191 . 18 1 1 A 106 106 ALA C C 106 176.136 176.526 -0.390 1
1 1192 . 18 1 1 A 107 107 LYS N N 107 122.751 125.468 -2.717 1
1 1193 . 18 1 1 A 107 107 LYS H H 107 7.746 8.605 -0.859 1
1 1194 . 18 1 1 A 107 107 LYS CA C 107 55.652 56.087 -0.435 1
1 1195 . 18 1 1 A 107 107 LYS HA H 107 4.797 4.644 0.153 1
1 1196 . 18 1 1 A 107 107 LYS CB C 107 32.606 32.614 -0.008 1
1 1204 . 18 1 1 A 107 107 LYS C C 107 174.648 174.881 -0.233 1
1 1209 . 18 1 1 A 108 108 ILE N N 108 127.629 127.736 -0.107 1
1 1210 . 18 1 1 A 108 108 ILE H H 108 9.024 8.409 0.615 1
1 1211 . 18 1 1 A 108 108 ILE CA C 108 56.801 60.651 -3.850 1
1 1212 . 18 1 1 A 108 108 ILE HA H 108 4.688 5.369 -0.681 1
1 1213 . 18 1 1 A 108 108 ILE CB C 108 35.101 39.655 -4.554 1
1 1225 . 18 1 1 A 108 108 ILE C C 108 178.159 175.388 2.771 1
1 1227 . 18 1 1 A 109 109 THR N N 109 121.563 121.154 0.409 1
1 1228 . 18 1 1 A 109 109 THR H H 109 8.861 8.585 0.276 1
1 1229 . 18 1 1 A 109 109 THR CA C 109 60.745 59.345 1.400 1
1 1230 . 18 1 1 A 109 109 THR HA H 109 4.778 5.068 -0.290 1
1 1231 . 18 1 1 A 109 109 THR CB C 109 71.067 71.836 -0.769 1
1 1237 . 18 1 1 A 109 109 THR C C 109 173.421 172.652 0.769 1
1 1238 . 18 1 1 A 110 110 ASP N N 110 119.526 123.521 -3.995 1
1 1239 . 18 1 1 A 110 110 ASP H H 110 8.631 8.814 -0.183 1
1 1240 . 18 1 1 A 110 110 ASP CA C 110 53.971 52.375 1.596 1
1 1241 . 18 1 1 A 110 110 ASP HA H 110 4.729 5.484 -0.755 1
1 1242 . 18 1 1 A 110 110 ASP CB C 110 42.087 42.436 -0.349 1
1 1244 . 18 1 1 A 110 110 ASP C C 110 176.124 175.243 0.881 1
1 1246 . 18 1 1 A 111 111 ASP N N 111 122.287 123.457 -1.170 1
1 1247 . 18 1 1 A 111 111 ASP H H 111 8.638 8.822 -0.184 1
1 1248 . 18 1 1 A 111 111 ASP CA C 111 54.042 55.767 -1.725 1
1 1249 . 18 1 1 A 111 111 ASP HA H 111 4.644 4.773 -0.129 1
1 1250 . 18 1 1 A 111 111 ASP CB C 111 41.218 42.945 -1.727 1
1 1252 . 18 1 1 A 111 111 ASP C C 111 176.668 176.507 0.161 1
1 1254 . 18 1 1 A 112 112 SER N N 112 117.157 114.139 3.018 1
1 1255 . 18 1 1 A 112 112 SER H H 112 8.416 7.894 0.522 1
1 1256 . 18 1 1 A 112 112 SER CA C 112 59.277 57.354 1.923 1
1 1257 . 18 1 1 A 112 112 SER HA H 112 4.348 4.440 -0.092 1
1 1258 . 18 1 1 A 112 112 SER CB C 112 63.943 61.398 2.545 1
1 1260 . 18 1 1 A 112 112 SER C C 112 174.721 173.155 1.566 1
1 1262 . 18 1 1 A 113 113 ARG N N 113 122.178 119.445 2.733 1
1 1263 . 18 1 1 A 113 113 ARG H H 113 8.238 8.105 0.133 1
1 1264 . 18 1 1 A 113 113 ARG CA C 113 56.195 55.650 0.545 1
1 1265 . 18 1 1 A 113 113 ARG HA H 113 4.347 4.640 -0.293 1
1 1266 . 18 1 1 A 113 113 ARG CB C 113 30.470 32.089 -1.619 1
1 1271 . 18 1 1 A 113 113 ARG C C 113 176.207 174.977 1.230 1
1 1275 . 18 1 1 A 114 114 ARG N N 114 122.696 119.753 2.943 1
1 1276 . 18 1 1 A 114 114 ARG H H 114 8.338 8.544 -0.206 1
1 1277 . 18 1 1 A 114 114 ARG CA C 114 56.164 55.448 0.716 1
1 1278 . 18 1 1 A 114 114 ARG HA H 114 4.390 4.919 -0.529 1
1 1279 . 18 1 1 A 114 114 ARG CB C 114 30.679 33.732 -3.053 1
1 1285 . 18 1 1 A 114 114 ARG C C 114 175.468 174.452 1.016 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 44.699 45.350 -0.651 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.124 4.080 0.044 1
1 3 . 19 1 1 A 7 7 GLY HA2 H 7 4.124 4.080 0.044 1
1 4 . 19 1 1 A 8 8 PRO CA C 8 63.321 62.844 0.477 1
1 5 . 19 1 1 A 8 8 PRO HA H 8 4.418 4.683 -0.265 1
1 6 . 19 1 1 A 8 8 PRO CB C 8 32.104 31.829 0.275 1
1 12 . 19 1 1 A 8 8 PRO C C 8 177.159 175.212 1.947 1
1 16 . 19 1 1 A 9 9 GLU N N 9 120.837 123.654 -2.817 1
1 17 . 19 1 1 A 9 9 GLU H H 9 8.612 9.030 -0.418 1
1 18 . 19 1 1 A 9 9 GLU CA C 9 56.642 55.922 0.720 1
1 19 . 19 1 1 A 9 9 GLU HA H 9 4.282 4.812 -0.530 1
1 20 . 19 1 1 A 9 9 GLU CB C 9 30.181 33.719 -3.538 1
1 24 . 19 1 1 A 9 9 GLU C C 9 176.387 174.658 1.729 1
1 27 . 19 1 1 A 10 10 SER N N 10 117.776 117.789 -0.013 1
1 28 . 19 1 1 A 10 10 SER H H 10 8.264 8.693 -0.429 1
1 29 . 19 1 1 A 10 10 SER CA C 10 56.382 55.098 1.284 1
1 30 . 19 1 1 A 10 10 SER HA H 10 4.763 5.235 -0.472 1
1 31 . 19 1 1 A 10 10 SER CB C 10 63.575 65.453 -1.878 1
1 33 . 19 1 1 A 10 10 SER C C 10 172.958 172.047 0.911 1
1 35 . 19 1 1 A 11 11 PRO CA C 11 63.404 62.891 0.513 1
1 36 . 19 1 1 A 11 11 PRO HA H 11 4.432 4.720 -0.288 1
1 37 . 19 1 1 A 11 11 PRO CB C 11 31.958 31.862 0.096 1
1 43 . 19 1 1 A 11 11 PRO C C 11 176.922 176.472 0.450 1
1 47 . 19 1 1 A 12 12 LEU N N 12 121.245 117.475 3.770 1
1 48 . 19 1 1 A 12 12 LEU H H 12 8.172 8.336 -0.164 1
1 49 . 19 1 1 A 12 12 LEU CA C 12 55.521 52.331 3.190 1
1 50 . 19 1 1 A 12 12 LEU HA H 12 4.236 5.304 -1.068 1
1 51 . 19 1 1 A 12 12 LEU CB C 12 42.138 46.059 -3.921 1
1 63 . 19 1 1 A 12 12 LEU C C 12 177.236 175.359 1.877 1
1 65 . 19 1 1 A 13 13 GLN N N 13 120.086 117.892 2.194 1
1 66 . 19 1 1 A 13 13 GLN H H 13 8.098 9.021 -0.923 1
1 67 . 19 1 1 A 13 13 GLN CA C 13 55.785 53.978 1.807 1
1 68 . 19 1 1 A 13 13 GLN HA H 13 4.220 4.919 -0.699 1
1 69 . 19 1 1 A 13 13 GLN CB C 13 29.628 31.511 -1.883 1
1 76 . 19 1 1 A 13 13 GLN C C 13 175.243 173.931 1.312 1
1 79 . 19 1 1 A 14 14 PHE N N 14 120.461 117.898 2.563 1
1 80 . 19 1 1 A 14 14 PHE H H 14 8.056 7.868 0.188 1
1 81 . 19 1 1 A 14 14 PHE CA C 14 57.739 56.162 1.577 1
1 82 . 19 1 1 A 14 14 PHE HA H 14 4.545 5.191 -0.646 1
1 83 . 19 1 1 A 14 14 PHE CB C 14 39.825 40.485 -0.660 1
1 95 . 19 1 1 A 14 14 PHE C C 14 175.022 173.807 1.215 1
1 97 . 19 1 1 A 15 15 TYR N N 15 121.213 126.217 -5.004 1
1 98 . 19 1 1 A 15 15 TYR H H 15 8.004 9.074 -1.070 1
1 99 . 19 1 1 A 15 15 TYR CA C 15 57.756 58.411 -0.655 1
1 100 . 19 1 1 A 15 15 TYR HA H 15 4.506 4.813 -0.307 1
1 101 . 19 1 1 A 15 15 TYR CB C 15 39.012 39.439 -0.427 1
1 111 . 19 1 1 A 15 15 TYR C C 15 175.174 175.089 0.085 1
1 113 . 19 1 1 A 16 16 VAL N N 16 121.693 122.135 -0.442 1
1 114 . 19 1 1 A 16 16 VAL H H 16 7.900 8.724 -0.824 1
1 115 . 19 1 1 A 16 16 VAL CA C 16 62.248 59.572 2.676 1
1 116 . 19 1 1 A 16 16 VAL HA H 16 3.932 4.897 -0.965 1
1 117 . 19 1 1 A 16 16 VAL CB C 16 33.023 35.227 -2.204 1
1 127 . 19 1 1 A 16 16 VAL C C 16 175.016 174.408 0.608 1
1 128 . 19 1 1 A 17 17 ASN N N 17 121.488 121.232 0.256 1
1 129 . 19 1 1 A 17 17 ASN H H 17 8.198 8.712 -0.514 1
1 130 . 19 1 1 A 17 17 ASN CA C 17 52.948 51.929 1.019 1
1 131 . 19 1 1 A 17 17 ASN HA H 17 4.630 4.965 -0.335 1
1 132 . 19 1 1 A 17 17 ASN CB C 17 39.289 42.944 -3.655 1
1 137 . 19 1 1 A 17 17 ASN C C 17 174.167 173.526 0.641 1
1 139 . 19 1 1 A 18 18 TYR N N 18 122.069 119.132 2.937 1
1 140 . 19 1 1 A 18 18 TYR H H 18 8.117 8.192 -0.075 1
1 141 . 19 1 1 A 18 18 TYR CA C 18 55.970 55.535 0.435 1
1 142 . 19 1 1 A 18 18 TYR HA H 18 4.771 5.153 -0.382 1
1 143 . 19 1 1 A 18 18 TYR CB C 18 38.260 40.616 -2.356 1
1 153 . 19 1 1 A 18 18 TYR C C 18 173.978 175.325 -1.347 1
1 155 . 19 1 1 A 19 19 PRO CA C 19 63.378 64.438 -1.060 1
1 156 . 19 1 1 A 19 19 PRO HA H 19 4.414 4.452 -0.038 1
1 157 . 19 1 1 A 19 19 PRO CB C 19 32.018 32.264 -0.246 1
1 163 . 19 1 1 A 19 19 PRO C C 19 176.659 176.402 0.257 1
1 167 . 19 1 1 A 20 20 ASN N N 20 118.582 116.976 1.606 1
1 168 . 19 1 1 A 20 20 ASN H H 20 8.508 7.846 0.662 1
1 169 . 19 1 1 A 20 20 ASN CA C 20 53.334 51.723 1.611 1
1 170 . 19 1 1 A 20 20 ASN HA H 20 4.756 5.312 -0.556 1
1 171 . 19 1 1 A 20 20 ASN CB C 20 38.964 43.011 -4.047 1
1 176 . 19 1 1 A 20 20 ASN C C 20 175.301 175.438 -0.137 1
1 178 . 19 1 1 A 21 21 SER N N 21 115.989 116.861 -0.872 1
1 179 . 19 1 1 A 21 21 SER H H 21 8.360 9.129 -0.769 1
1 180 . 19 1 1 A 21 21 SER CA C 21 58.877 59.601 -0.724 1
1 181 . 19 1 1 A 21 21 SER HA H 21 4.481 4.356 0.125 1
1 182 . 19 1 1 A 21 21 SER CB C 21 63.988 64.187 -0.199 1
1 184 . 19 1 1 A 21 21 SER C C 21 175.006 174.392 0.614 1
1 186 . 19 1 1 A 22 22 GLY N N 22 110.974 107.160 3.814 1
1 187 . 19 1 1 A 22 22 GLY H H 22 8.523 7.461 1.062 1
1 188 . 19 1 1 A 22 22 GLY CA C 22 45.429 45.332 0.097 1
1 189 . 19 1 1 A 22 22 GLY HA3 H 22 4.074 3.983 0.091 1
1 190 . 19 1 1 A 22 22 GLY C C 22 173.860 171.210 2.650 1
1 191 . 19 1 1 A 22 22 GLY HA2 H 22 4.074 3.966 0.108 1
1 192 . 19 1 1 A 23 23 SER N N 23 115.179 114.545 0.634 1
1 193 . 19 1 1 A 23 23 SER H H 23 8.190 8.480 -0.290 1
1 194 . 19 1 1 A 23 23 SER CA C 23 58.233 57.071 1.162 1
1 195 . 19 1 1 A 23 23 SER HA H 23 4.511 5.315 -0.804 1
1 196 . 19 1 1 A 23 23 SER CB C 23 64.511 66.451 -1.940 1
1 198 . 19 1 1 A 23 23 SER C C 23 173.263 173.438 -0.175 1
1 200 . 19 1 1 A 24 24 VAL N N 24 122.289 121.691 0.598 1
1 201 . 19 1 1 A 24 24 VAL H H 24 7.889 8.565 -0.676 1
1 202 . 19 1 1 A 24 24 VAL CA C 24 61.754 62.471 -0.717 1
1 203 . 19 1 1 A 24 24 VAL HA H 24 4.567 4.483 0.084 1
1 204 . 19 1 1 A 24 24 VAL CB C 24 33.612 31.090 2.522 1
1 214 . 19 1 1 A 24 24 VAL C C 24 174.799 175.321 -0.522 1
1 215 . 19 1 1 A 25 25 SER N N 25 118.995 122.724 -3.729 1
1 216 . 19 1 1 A 25 25 SER H H 25 8.244 9.328 -1.084 1
1 217 . 19 1 1 A 25 25 SER CA C 25 57.102 56.079 1.023 1
1 218 . 19 1 1 A 25 25 SER HA H 25 5.039 5.280 -0.241 1
1 219 . 19 1 1 A 25 25 SER CB C 25 66.338 66.602 -0.264 1
1 221 . 19 1 1 A 25 25 SER C C 25 171.718 173.076 -1.358 1
1 223 . 19 1 1 A 26 26 ALA N N 26 121.537 124.961 -3.424 1
1 224 . 19 1 1 A 26 26 ALA H H 26 8.503 8.934 -0.431 1
1 225 . 19 1 1 A 26 26 ALA CA C 26 50.695 50.750 -0.055 1
1 226 . 19 1 1 A 26 26 ALA HA H 26 5.637 5.257 0.380 1
1 227 . 19 1 1 A 26 26 ALA CB C 26 23.364 21.910 1.454 1
1 231 . 19 1 1 A 26 26 ALA C C 26 175.355 175.780 -0.425 1
1 232 . 19 1 1 A 27 27 TYR N N 27 116.588 118.244 -1.656 1
1 233 . 19 1 1 A 27 27 TYR H H 27 8.885 9.069 -0.184 1
1 234 . 19 1 1 A 27 27 TYR CA C 27 57.013 55.798 1.215 1
1 235 . 19 1 1 A 27 27 TYR HA H 27 4.742 5.248 -0.506 1
1 236 . 19 1 1 A 27 27 TYR CB C 27 40.325 41.404 -1.079 1
1 246 . 19 1 1 A 27 27 TYR C C 27 172.990 173.859 -0.869 1
1 248 . 19 1 1 A 28 28 GLY N N 28 108.423 106.735 1.688 1
1 249 . 19 1 1 A 28 28 GLY H H 28 8.475 8.432 0.043 1
1 250 . 19 1 1 A 28 28 GLY CA C 28 44.439 44.545 -0.106 1
1 251 . 19 1 1 A 28 28 GLY HA3 H 28 4.141 4.075 0.066 1
1 252 . 19 1 1 A 28 28 GLY C C 28 173.419 173.991 -0.572 1
1 253 . 19 1 1 A 28 28 GLY HA2 H 28 5.092 4.067 1.025 1
1 254 . 19 1 1 A 29 29 PRO CA C 29 65.537 63.823 1.714 1
1 255 . 19 1 1 A 29 29 PRO HA H 29 4.298 4.127 0.171 1
1 256 . 19 1 1 A 29 29 PRO CB C 29 31.509 31.718 -0.209 1
1 262 . 19 1 1 A 29 29 PRO C C 29 178.493 177.309 1.184 1
1 266 . 19 1 1 A 30 30 GLY N N 30 102.459 106.597 -4.138 1
1 267 . 19 1 1 A 30 30 GLY H H 30 8.655 8.253 0.402 1
1 268 . 19 1 1 A 30 30 GLY CA C 30 46.245 45.679 0.566 1
1 269 . 19 1 1 A 30 30 GLY HA3 H 30 3.417 3.990 -0.573 1
1 270 . 19 1 1 A 30 30 GLY C C 30 172.945 174.836 -1.891 1
1 271 . 19 1 1 A 30 30 GLY HA2 H 30 4.316 3.953 0.363 1
1 272 . 19 1 1 A 31 31 LEU N N 31 116.436 121.425 -4.989 1
1 273 . 19 1 1 A 31 31 LEU H H 31 7.049 7.427 -0.378 1
1 274 . 19 1 1 A 31 31 LEU CA C 31 55.368 56.976 -1.608 1
1 275 . 19 1 1 A 31 31 LEU HA H 31 3.784 4.053 -0.269 1
1 276 . 19 1 1 A 31 31 LEU CB C 31 42.148 42.173 -0.025 1
1 288 . 19 1 1 A 31 31 LEU C C 31 175.321 178.734 -3.413 1
1 290 . 19 1 1 A 32 32 VAL N N 32 112.078 116.895 -4.817 1
1 291 . 19 1 1 A 32 32 VAL H H 32 7.739 7.007 0.732 1
1 292 . 19 1 1 A 32 32 VAL CA C 32 62.956 65.437 -2.481 1
1 293 . 19 1 1 A 32 32 VAL HA H 32 4.574 3.683 0.891 1
1 294 . 19 1 1 A 32 32 VAL CB C 32 35.415 31.471 3.944 1
1 304 . 19 1 1 A 32 32 VAL C C 32 176.810 175.735 1.075 1
1 305 . 19 1 1 A 33 33 TYR N N 33 121.116 115.678 5.438 1
1 306 . 19 1 1 A 33 33 TYR H H 33 8.638 7.360 1.278 1
1 307 . 19 1 1 A 33 33 TYR CA C 33 56.523 55.925 0.598 1
1 308 . 19 1 1 A 33 33 TYR HA H 33 5.639 4.967 0.672 1
1 309 . 19 1 1 A 33 33 TYR CB C 33 42.165 40.867 1.298 1
1 319 . 19 1 1 A 33 33 TYR C C 33 172.858 173.834 -0.976 1
1 321 . 19 1 1 A 34 34 GLY N N 34 107.313 106.953 0.360 1
1 322 . 19 1 1 A 34 34 GLY H H 34 7.637 8.204 -0.567 1
1 323 . 19 1 1 A 34 34 GLY CA C 34 44.721 45.847 -1.126 1
1 324 . 19 1 1 A 34 34 GLY HA3 H 34 3.793 4.461 -0.668 1
1 325 . 19 1 1 A 34 34 GLY C C 34 170.727 171.845 -1.118 1
1 326 . 19 1 1 A 34 34 GLY HA2 H 34 3.873 4.423 -0.550 1
1 327 . 19 1 1 A 35 35 VAL N N 35 120.853 119.712 1.141 1
1 328 . 19 1 1 A 35 35 VAL H H 35 8.731 8.425 0.306 1
1 329 . 19 1 1 A 35 35 VAL CA C 35 60.627 60.621 0.006 1
1 330 . 19 1 1 A 35 35 VAL HA H 35 4.589 4.823 -0.234 1
1 331 . 19 1 1 A 35 35 VAL CB C 35 35.374 35.325 0.049 1
1 341 . 19 1 1 A 35 35 VAL C C 35 174.813 174.988 -0.175 1
1 342 . 19 1 1 A 36 36 ALA N N 36 127.708 130.488 -2.780 1
1 343 . 19 1 1 A 36 36 ALA H H 36 8.482 8.594 -0.112 1
1 344 . 19 1 1 A 36 36 ALA CA C 36 53.332 53.126 0.206 1
1 345 . 19 1 1 A 36 36 ALA HA H 36 3.535 4.119 -0.584 1
1 346 . 19 1 1 A 36 36 ALA CB C 36 17.653 18.726 -1.073 1
1 350 . 19 1 1 A 36 36 ALA C C 36 176.968 178.184 -1.216 1
1 351 . 19 1 1 A 37 37 ASN N N 37 111.234 116.278 -5.044 1
1 352 . 19 1 1 A 37 37 ASN H H 37 9.147 8.696 0.451 1
1 353 . 19 1 1 A 37 37 ASN CA C 37 55.728 54.445 1.283 1
1 354 . 19 1 1 A 37 37 ASN HA H 37 3.962 4.307 -0.345 1
1 355 . 19 1 1 A 37 37 ASN CB C 37 37.147 37.455 -0.308 1
1 360 . 19 1 1 A 37 37 ASN C C 37 173.119 173.922 -0.803 1
1 362 . 19 1 1 A 38 38 LYS N N 38 119.100 117.321 1.779 1
1 363 . 19 1 1 A 38 38 LYS H H 38 7.972 7.120 0.852 1
1 364 . 19 1 1 A 38 38 LYS CA C 38 54.306 54.797 -0.491 1
1 365 . 19 1 1 A 38 38 LYS HA H 38 4.606 4.677 -0.071 1
1 366 . 19 1 1 A 38 38 LYS CB C 38 34.799 35.625 -0.826 1
1 374 . 19 1 1 A 38 38 LYS C C 38 175.533 176.032 -0.499 1
1 379 . 19 1 1 A 39 39 THR N N 39 114.730 117.308 -2.578 1
1 380 . 19 1 1 A 39 39 THR H H 39 8.158 8.718 -0.560 1
1 381 . 19 1 1 A 39 39 THR CA C 39 63.302 62.428 0.874 1
1 382 . 19 1 1 A 39 39 THR HA H 39 4.138 4.167 -0.029 1
1 383 . 19 1 1 A 39 39 THR CB C 39 69.652 69.046 0.606 1
1 389 . 19 1 1 A 39 39 THR C C 39 174.281 174.047 0.234 1
1 390 . 19 1 1 A 40 40 ALA N N 40 129.891 127.207 2.684 1
1 391 . 19 1 1 A 40 40 ALA H H 40 8.750 8.067 0.683 1
1 392 . 19 1 1 A 40 40 ALA CA C 40 50.399 50.298 0.101 1
1 393 . 19 1 1 A 40 40 ALA HA H 40 4.702 4.835 -0.133 1
1 394 . 19 1 1 A 40 40 ALA CB C 40 20.495 20.002 0.493 1
1 398 . 19 1 1 A 40 40 ALA C C 40 176.039 176.430 -0.391 1
1 399 . 19 1 1 A 41 41 THR N N 41 112.902 115.581 -2.679 1
1 400 . 19 1 1 A 41 41 THR H H 41 8.536 8.682 -0.146 1
1 401 . 19 1 1 A 41 41 THR CA C 41 59.688 59.802 -0.114 1
1 402 . 19 1 1 A 41 41 THR HA H 41 5.779 5.447 0.332 1
1 403 . 19 1 1 A 41 41 THR CB C 41 72.348 71.283 1.065 1
1 409 . 19 1 1 A 41 41 THR C C 41 173.286 174.359 -1.073 1
1 410 . 19 1 1 A 42 42 PHE N N 42 119.525 117.844 1.681 1
1 411 . 19 1 1 A 42 42 PHE H H 42 8.825 8.315 0.510 1
1 412 . 19 1 1 A 42 42 PHE CA C 42 57.031 55.708 1.323 1
1 413 . 19 1 1 A 42 42 PHE HA H 42 5.013 5.302 -0.289 1
1 414 . 19 1 1 A 42 42 PHE CB C 42 40.155 41.476 -1.321 1
1 426 . 19 1 1 A 42 42 PHE C C 42 171.282 172.033 -0.751 1
1 428 . 19 1 1 A 43 43 THR N N 43 117.427 114.457 2.970 1
1 429 . 19 1 1 A 43 43 THR H H 43 9.210 8.366 0.844 1
1 430 . 19 1 1 A 43 43 THR CA C 43 62.250 61.269 0.981 1
1 431 . 19 1 1 A 43 43 THR HA H 43 4.987 4.861 0.126 1
1 432 . 19 1 1 A 43 43 THR CB C 43 71.510 70.549 0.961 1
1 438 . 19 1 1 A 43 43 THR C C 43 173.061 173.607 -0.546 1
1 439 . 19 1 1 A 44 44 ILE N N 44 123.638 125.261 -1.623 1
1 440 . 19 1 1 A 44 44 ILE H H 44 8.859 8.617 0.242 1
1 441 . 19 1 1 A 44 44 ILE CA C 44 59.843 60.306 -0.463 1
1 442 . 19 1 1 A 44 44 ILE HA H 44 4.824 4.823 0.001 1
1 443 . 19 1 1 A 44 44 ILE CB C 44 40.866 39.866 1.000 1
1 455 . 19 1 1 A 44 44 ILE C C 44 174.707 175.288 -0.581 1
1 457 . 19 1 1 A 45 45 VAL N N 45 128.904 128.685 0.219 1
1 458 . 19 1 1 A 45 45 VAL H H 45 9.299 9.109 0.190 1
1 459 . 19 1 1 A 45 45 VAL CA C 45 62.119 63.285 -1.166 1
1 460 . 19 1 1 A 45 45 VAL HA H 45 4.492 4.040 0.452 1
1 461 . 19 1 1 A 45 45 VAL CB C 45 32.683 31.944 0.739 1
1 471 . 19 1 1 A 45 45 VAL C C 45 175.606 175.992 -0.386 1
1 472 . 19 1 1 A 46 46 THR N N 46 117.412 121.531 -4.119 1
1 473 . 19 1 1 A 46 46 THR H H 46 8.434 8.755 -0.321 1
1 474 . 19 1 1 A 46 46 THR CA C 46 60.650 62.434 -1.784 1
1 475 . 19 1 1 A 46 46 THR HA H 46 4.505 4.313 0.192 1
1 476 . 19 1 1 A 46 46 THR CB C 46 69.432 69.978 -0.546 1
1 482 . 19 1 1 A 46 46 THR C C 46 174.882 174.312 0.570 1
1 483 . 19 1 1 A 47 47 GLU N N 47 122.657 119.723 2.934 1
1 484 . 19 1 1 A 47 47 GLU H H 47 8.052 8.136 -0.084 1
1 485 . 19 1 1 A 47 47 GLU CA C 47 57.419 57.901 -0.482 1
1 486 . 19 1 1 A 47 47 GLU HA H 47 4.231 3.871 0.360 1
1 487 . 19 1 1 A 47 47 GLU CB C 47 30.281 27.899 2.382 1
1 491 . 19 1 1 A 47 47 GLU C C 47 175.887 176.054 -0.167 1
1 494 . 19 1 1 A 48 48 ASP N N 48 120.269 118.754 1.515 1
1 495 . 19 1 1 A 48 48 ASP H H 48 8.536 8.439 0.097 1
1 496 . 19 1 1 A 48 48 ASP CA C 48 54.396 55.072 -0.676 1
1 497 . 19 1 1 A 48 48 ASP HA H 48 4.638 4.389 0.249 1
1 498 . 19 1 1 A 48 48 ASP CB C 48 40.979 39.404 1.575 1
1 500 . 19 1 1 A 48 48 ASP C C 48 175.709 176.533 -0.824 1
1 502 . 19 1 1 A 49 49 ALA N N 49 122.506 120.931 1.575 1
1 503 . 19 1 1 A 49 49 ALA H H 49 8.109 8.135 -0.026 1
1 504 . 19 1 1 A 49 49 ALA CA C 49 52.774 53.698 -0.924 1
1 505 . 19 1 1 A 49 49 ALA HA H 49 4.195 4.136 0.059 1
1 506 . 19 1 1 A 49 49 ALA CB C 49 19.343 19.995 -0.652 1
1 510 . 19 1 1 A 49 49 ALA C C 49 178.316 177.778 0.538 1
1 511 . 19 1 1 A 50 50 GLY N N 50 107.563 104.102 3.461 1
1 512 . 19 1 1 A 50 50 GLY H H 50 8.269 7.665 0.604 1
1 513 . 19 1 1 A 50 50 GLY CA C 50 45.288 44.194 1.094 1
1 514 . 19 1 1 A 50 50 GLY HA3 H 50 3.993 4.206 -0.213 1
1 515 . 19 1 1 A 50 50 GLY C C 50 174.421 171.744 2.677 1
1 516 . 19 1 1 A 50 50 GLY HA2 H 50 3.993 4.175 -0.182 1
1 517 . 19 1 1 A 51 51 GLU N N 51 121.358 117.833 3.525 1
1 518 . 19 1 1 A 51 51 GLU H H 51 8.519 8.523 -0.004 1
1 519 . 19 1 1 A 51 51 GLU CA C 51 56.890 55.013 1.877 1
1 520 . 19 1 1 A 51 51 GLU HA H 51 4.309 5.192 -0.883 1
1 521 . 19 1 1 A 51 51 GLU CB C 51 30.204 32.239 -2.035 1
1 525 . 19 1 1 A 51 51 GLU C C 51 177.003 174.516 2.487 1
1 528 . 19 1 1 A 52 52 GLY N N 52 109.575 109.131 0.444 1
1 529 . 19 1 1 A 52 52 GLY H H 52 8.349 8.414 -0.065 1
1 530 . 19 1 1 A 52 52 GLY CA C 52 45.571 45.897 -0.326 1
1 531 . 19 1 1 A 52 52 GLY HA3 H 52 3.895 3.970 -0.075 1
1 532 . 19 1 1 A 52 52 GLY C C 52 173.666 173.559 0.107 1
1 533 . 19 1 1 A 52 52 GLY HA2 H 52 3.810 3.909 -0.099 1
1 534 . 19 1 1 A 53 53 GLY N N 53 106.657 105.431 1.226 1
1 535 . 19 1 1 A 53 53 GLY H H 53 7.893 7.669 0.224 1
1 536 . 19 1 1 A 53 53 GLY CA C 53 45.199 45.459 -0.260 1
1 537 . 19 1 1 A 53 53 GLY HA3 H 53 3.613 4.150 -0.537 1
1 538 . 19 1 1 A 53 53 GLY C C 53 173.414 172.238 1.176 1
1 539 . 19 1 1 A 53 53 GLY HA2 H 53 4.036 4.127 -0.091 1
1 540 . 19 1 1 A 54 54 LEU N N 54 124.121 127.418 -3.297 1
1 541 . 19 1 1 A 54 54 LEU H H 54 8.241 8.841 -0.600 1
1 542 . 19 1 1 A 54 54 LEU CA C 54 54.528 54.017 0.511 1
1 543 . 19 1 1 A 54 54 LEU HA H 54 5.056 4.872 0.184 1
1 544 . 19 1 1 A 54 54 LEU CB C 54 44.325 43.680 0.645 1
1 556 . 19 1 1 A 54 54 LEU C C 54 176.080 174.956 1.124 1
1 558 . 19 1 1 A 55 55 ASP N N 55 126.024 128.217 -2.193 1
1 559 . 19 1 1 A 55 55 ASP H H 55 8.981 8.674 0.307 1
1 560 . 19 1 1 A 55 55 ASP CA C 55 54.095 53.040 1.055 1
1 561 . 19 1 1 A 55 55 ASP HA H 55 4.879 5.206 -0.327 1
1 562 . 19 1 1 A 55 55 ASP CB C 55 44.582 43.312 1.270 1
1 564 . 19 1 1 A 55 55 ASP C C 55 173.601 174.408 -0.807 1
1 566 . 19 1 1 A 56 56 LEU N N 56 125.098 128.349 -3.251 1
1 567 . 19 1 1 A 56 56 LEU H H 56 8.300 8.995 -0.695 1
1 568 . 19 1 1 A 56 56 LEU CA C 56 53.221 53.677 -0.456 1
1 569 . 19 1 1 A 56 56 LEU HA H 56 5.422 5.238 0.184 1
1 570 . 19 1 1 A 56 56 LEU CB C 56 46.028 45.482 0.546 1
1 582 . 19 1 1 A 56 56 LEU C C 56 175.700 174.937 0.763 1
1 584 . 19 1 1 A 57 57 ALA N N 57 125.664 127.427 -1.763 1
1 585 . 19 1 1 A 57 57 ALA H H 57 8.840 9.352 -0.512 1
1 586 . 19 1 1 A 57 57 ALA CA C 57 51.851 50.881 0.970 1
1 587 . 19 1 1 A 57 57 ALA HA H 57 4.600 5.192 -0.592 1
1 588 . 19 1 1 A 57 57 ALA CB C 57 22.862 22.533 0.329 1
1 592 . 19 1 1 A 57 57 ALA C C 57 174.504 175.937 -1.433 1
1 593 . 19 1 1 A 58 58 ILE N N 58 119.429 122.790 -3.361 1
1 594 . 19 1 1 A 58 58 ILE H H 58 8.617 8.710 -0.093 1
1 595 . 19 1 1 A 58 58 ILE CA C 58 60.143 59.471 0.672 1
1 596 . 19 1 1 A 58 58 ILE HA H 58 5.272 5.046 0.226 1
1 597 . 19 1 1 A 58 58 ILE CB C 58 41.068 40.433 0.635 1
1 609 . 19 1 1 A 58 58 ILE C C 58 175.328 174.951 0.377 1
1 611 . 19 1 1 A 59 59 GLU N N 59 128.665 123.644 5.021 1
1 612 . 19 1 1 A 59 59 GLU H H 59 9.315 9.070 0.245 1
1 613 . 19 1 1 A 59 59 GLU CA C 59 54.166 54.788 -0.622 1
1 614 . 19 1 1 A 59 59 GLU HA H 59 4.920 5.124 -0.204 1
1 615 . 19 1 1 A 59 59 GLU CB C 59 32.698 33.288 -0.590 1
1 619 . 19 1 1 A 59 59 GLU C C 59 175.108 175.490 -0.382 1
1 622 . 19 1 1 A 60 60 GLY N N 60 110.929 108.735 2.194 1
1 623 . 19 1 1 A 60 60 GLY H H 60 8.427 8.319 0.108 1
1 624 . 19 1 1 A 60 60 GLY CA C 60 45.608 44.773 0.835 1
1 625 . 19 1 1 A 60 60 GLY HA3 H 60 3.927 4.136 -0.209 1
1 626 . 19 1 1 A 60 60 GLY C C 60 171.379 174.060 -2.681 1
1 627 . 19 1 1 A 60 60 GLY HA2 H 60 3.531 4.011 -0.480 1
1 628 . 19 1 1 A 61 61 PRO CA C 61 64.103 63.951 0.152 1
1 629 . 19 1 1 A 61 61 PRO HA H 61 4.270 4.434 -0.164 1
1 630 . 19 1 1 A 61 61 PRO CB C 61 32.206 31.806 0.400 1
1 636 . 19 1 1 A 61 61 PRO C C 61 176.075 175.950 0.125 1
1 640 . 19 1 1 A 62 62 SER N N 62 108.474 111.995 -3.521 1
1 641 . 19 1 1 A 62 62 SER H H 62 7.099 7.568 -0.469 1
1 642 . 19 1 1 A 62 62 SER CA C 62 56.398 57.155 -0.757 1
1 643 . 19 1 1 A 62 62 SER HA H 62 4.655 4.669 -0.014 1
1 644 . 19 1 1 A 62 62 SER CB C 62 67.457 65.291 2.166 1
1 646 . 19 1 1 A 62 62 SER C C 62 172.805 172.478 0.327 1
1 648 . 19 1 1 A 63 63 LYS N N 63 122.679 126.065 -3.386 1
1 649 . 19 1 1 A 63 63 LYS H H 63 8.653 8.533 0.120 1
1 650 . 19 1 1 A 63 63 LYS CA C 63 55.822 56.581 -0.759 1
1 651 . 19 1 1 A 63 63 LYS HA H 63 4.449 4.452 -0.003 1
1 652 . 19 1 1 A 63 63 LYS CB C 63 31.384 33.256 -1.872 1
1 660 . 19 1 1 A 63 63 LYS C C 63 175.601 175.465 0.136 1
1 665 . 19 1 1 A 64 64 ALA N N 64 130.710 127.654 3.056 1
1 666 . 19 1 1 A 64 64 ALA H H 64 8.690 8.489 0.201 1
1 667 . 19 1 1 A 64 64 ALA CA C 64 51.425 50.856 0.569 1
1 668 . 19 1 1 A 64 64 ALA HA H 64 4.578 5.148 -0.570 1
1 669 . 19 1 1 A 64 64 ALA CB C 64 19.803 22.813 -3.010 1
1 673 . 19 1 1 A 64 64 ALA C C 64 176.395 176.625 -0.230 1
1 674 . 19 1 1 A 65 65 GLU N N 65 123.534 122.180 1.354 1
1 675 . 19 1 1 A 65 65 GLU H H 65 8.397 8.696 -0.299 1
1 676 . 19 1 1 A 65 65 GLU CA C 65 56.854 56.479 0.375 1
1 677 . 19 1 1 A 65 65 GLU HA H 65 4.278 4.298 -0.020 1
1 678 . 19 1 1 A 65 65 GLU CB C 65 30.346 30.088 0.258 1
1 682 . 19 1 1 A 65 65 GLU C C 65 176.381 176.410 -0.029 1
1 685 . 19 1 1 A 66 66 ILE N N 66 124.380 121.945 2.435 1
1 686 . 19 1 1 A 66 66 ILE H H 66 8.541 8.580 -0.039 1
1 687 . 19 1 1 A 66 66 ILE CA C 66 60.568 60.378 0.190 1
1 688 . 19 1 1 A 66 66 ILE HA H 66 4.865 5.239 -0.374 1
1 689 . 19 1 1 A 66 66 ILE CB C 66 41.804 42.140 -0.336 1
1 701 . 19 1 1 A 66 66 ILE C C 66 175.421 174.435 0.986 1
1 703 . 19 1 1 A 67 67 SER N N 67 122.057 123.140 -1.083 1
1 704 . 19 1 1 A 67 67 SER H H 67 9.035 9.316 -0.281 1
1 705 . 19 1 1 A 67 67 SER CA C 67 56.908 56.849 0.059 1
1 706 . 19 1 1 A 67 67 SER HA H 67 4.729 4.836 -0.107 1
1 707 . 19 1 1 A 67 67 SER CB C 67 64.980 64.000 0.980 1
1 709 . 19 1 1 A 67 67 SER C C 67 172.294 173.142 -0.848 1
1 711 . 19 1 1 A 68 68 CYS N N 68 124.699 125.572 -0.873 1
1 712 . 19 1 1 A 68 68 CYS H H 68 8.732 8.748 -0.016 1
1 713 . 19 1 1 A 68 68 CYS CA C 68 57.310 58.118 -0.808 1
1 714 . 19 1 1 A 68 68 CYS HA H 68 5.038 4.915 0.123 1
1 715 . 19 1 1 A 68 68 CYS CB C 68 28.380 28.884 -0.504 1
1 717 . 19 1 1 A 68 68 CYS C C 68 173.135 174.313 -1.178 1
1 719 . 19 1 1 A 69 69 ILE N N 69 128.680 124.134 4.546 1
1 720 . 19 1 1 A 69 69 ILE H H 69 8.757 8.339 0.418 1
1 721 . 19 1 1 A 69 69 ILE CA C 69 59.153 60.170 -1.017 1
1 722 . 19 1 1 A 69 69 ILE HA H 69 4.350 4.653 -0.303 1
1 723 . 19 1 1 A 69 69 ILE CB C 69 40.750 42.405 -1.655 1
1 735 . 19 1 1 A 69 69 ILE C C 69 174.363 173.583 0.780 1
1 737 . 19 1 1 A 70 70 ASP N N 70 126.290 127.927 -1.637 1
1 738 . 19 1 1 A 70 70 ASP H H 70 8.596 8.890 -0.294 1
1 739 . 19 1 1 A 70 70 ASP CA C 70 53.671 53.673 -0.002 1
1 740 . 19 1 1 A 70 70 ASP HA H 70 4.892 5.109 -0.217 1
1 741 . 19 1 1 A 70 70 ASP CB C 70 41.069 42.810 -1.741 1
1 743 . 19 1 1 A 70 70 ASP C C 70 176.812 175.100 1.712 1
1 745 . 19 1 1 A 71 71 ASN N N 71 125.163 122.928 2.235 1
1 746 . 19 1 1 A 71 71 ASN H H 71 8.745 8.393 0.352 1
1 747 . 19 1 1 A 71 71 ASN CA C 71 54.626 51.796 2.830 1
1 748 . 19 1 1 A 71 71 ASN HA H 71 4.647 5.054 -0.407 1
1 749 . 19 1 1 A 71 71 ASN CB C 71 38.688 41.349 -2.661 1
1 754 . 19 1 1 A 71 71 ASN C C 71 175.657 176.357 -0.700 1
1 756 . 19 1 1 A 72 72 LYS N N 72 114.425 122.739 -8.314 1
1 757 . 19 1 1 A 72 72 LYS H H 72 9.407 8.921 0.486 1
1 758 . 19 1 1 A 72 72 LYS CA C 72 57.535 58.139 -0.604 1
1 759 . 19 1 1 A 72 72 LYS HA H 72 4.028 4.074 -0.046 1
1 760 . 19 1 1 A 72 72 LYS CB C 72 28.393 32.299 -3.906 1
1 768 . 19 1 1 A 72 72 LYS C C 72 175.123 177.567 -2.444 1
1 773 . 19 1 1 A 73 73 ASP N N 73 117.581 116.272 1.309 1
1 774 . 19 1 1 A 73 73 ASP H H 73 7.881 7.931 -0.050 1
1 775 . 19 1 1 A 73 73 ASP CA C 73 52.274 53.977 -1.703 1
1 776 . 19 1 1 A 73 73 ASP HA H 73 4.769 4.707 0.062 1
1 777 . 19 1 1 A 73 73 ASP CB C 73 41.210 40.891 0.319 1
1 779 . 19 1 1 A 73 73 ASP C C 73 177.197 175.408 1.789 1
1 781 . 19 1 1 A 74 74 GLY N N 74 109.385 108.808 0.577 1
1 782 . 19 1 1 A 74 74 GLY H H 74 8.781 7.884 0.897 1
1 783 . 19 1 1 A 74 74 GLY CA C 74 45.179 46.861 -1.682 1
1 784 . 19 1 1 A 74 74 GLY HA3 H 74 3.673 3.881 -0.208 1
1 785 . 19 1 1 A 74 74 GLY C C 74 173.671 173.747 -0.076 1
1 786 . 19 1 1 A 74 74 GLY HA2 H 74 4.469 3.881 0.588 1
1 787 . 19 1 1 A 75 75 THR N N 75 110.220 110.252 -0.032 1
1 788 . 19 1 1 A 75 75 THR H H 75 8.179 7.612 0.567 1
1 789 . 19 1 1 A 75 75 THR CA C 75 59.843 59.449 0.394 1
1 790 . 19 1 1 A 75 75 THR HA H 75 5.678 5.010 0.668 1
1 791 . 19 1 1 A 75 75 THR CB C 75 73.810 71.925 1.885 1
1 797 . 19 1 1 A 75 75 THR C C 75 173.912 172.583 1.329 1
1 798 . 19 1 1 A 76 76 CYS N N 76 117.252 123.585 -6.333 1
1 799 . 19 1 1 A 76 76 CYS H H 76 9.295 8.645 0.650 1
1 800 . 19 1 1 A 76 76 CYS CA C 76 56.716 56.878 -0.162 1
1 801 . 19 1 1 A 76 76 CYS HA H 76 5.517 4.983 0.534 1
1 802 . 19 1 1 A 76 76 CYS CB C 76 31.176 30.515 0.661 1
1 804 . 19 1 1 A 76 76 CYS C C 76 174.083 173.053 1.030 1
1 806 . 19 1 1 A 77 77 THR N N 77 121.477 122.524 -1.047 1
1 807 . 19 1 1 A 77 77 THR H H 77 9.137 9.274 -0.137 1
1 808 . 19 1 1 A 77 77 THR CA C 77 62.565 61.977 0.588 1
1 809 . 19 1 1 A 77 77 THR HA H 77 4.592 4.610 -0.018 1
1 810 . 19 1 1 A 77 77 THR CB C 77 70.447 69.150 1.297 1
1 816 . 19 1 1 A 77 77 THR C C 77 173.469 173.559 -0.090 1
1 817 . 19 1 1 A 78 78 VAL N N 78 131.586 128.201 3.385 1
1 818 . 19 1 1 A 78 78 VAL H H 78 9.099 8.018 1.081 1
1 819 . 19 1 1 A 78 78 VAL CA C 78 60.604 61.236 -0.632 1
1 820 . 19 1 1 A 78 78 VAL HA H 78 4.672 4.671 0.001 1
1 821 . 19 1 1 A 78 78 VAL CB C 78 32.061 32.925 -0.864 1
1 831 . 19 1 1 A 78 78 VAL C C 78 174.618 174.938 -0.320 1
1 832 . 19 1 1 A 79 79 THR N N 79 120.071 120.776 -0.705 1
1 833 . 19 1 1 A 79 79 THR H H 79 8.782 8.574 0.208 1
1 834 . 19 1 1 A 79 79 THR CA C 79 59.685 60.918 -1.233 1
1 835 . 19 1 1 A 79 79 THR HA H 79 5.424 5.218 0.206 1
1 836 . 19 1 1 A 79 79 THR CB C 79 71.374 71.726 -0.352 1
1 842 . 19 1 1 A 79 79 THR C C 79 173.250 173.301 -0.051 1
1 843 . 19 1 1 A 80 80 TYR N N 80 120.212 122.026 -1.814 1
1 844 . 19 1 1 A 80 80 TYR H H 80 9.132 8.807 0.325 1
1 845 . 19 1 1 A 80 80 TYR CA C 80 55.554 56.026 -0.472 1
1 846 . 19 1 1 A 80 80 TYR HA H 80 5.686 5.313 0.373 1
1 847 . 19 1 1 A 80 80 TYR CB C 80 42.143 41.482 0.661 1
1 857 . 19 1 1 A 80 80 TYR C C 80 172.856 172.296 0.560 1
1 859 . 19 1 1 A 81 81 LEU N N 81 121.355 123.184 -1.829 1
1 860 . 19 1 1 A 81 81 LEU H H 81 7.729 9.151 -1.422 1
1 861 . 19 1 1 A 81 81 LEU CA C 81 50.912 51.088 -0.176 1
1 862 . 19 1 1 A 81 81 LEU HA H 81 4.991 4.867 0.124 1
1 863 . 19 1 1 A 81 81 LEU CB C 81 43.636 45.049 -1.413 1
1 875 . 19 1 1 A 81 81 LEU C C 81 172.982 175.356 -2.374 1
1 877 . 19 1 1 A 82 82 PRO CA C 82 61.629 62.609 -0.980 1
1 878 . 19 1 1 A 82 82 PRO HA H 82 4.587 4.857 -0.270 1
1 879 . 19 1 1 A 82 82 PRO CB C 82 32.091 33.405 -1.314 1
1 885 . 19 1 1 A 82 82 PRO C C 82 177.683 177.021 0.662 1
1 889 . 19 1 1 A 83 83 THR N N 83 112.637 113.489 -0.852 1
1 890 . 19 1 1 A 83 83 THR H H 83 8.438 8.846 -0.408 1
1 891 . 19 1 1 A 83 83 THR CA C 83 62.207 62.408 -0.201 1
1 892 . 19 1 1 A 83 83 THR HA H 83 4.305 4.552 -0.247 1
1 893 . 19 1 1 A 83 83 THR CB C 83 69.155 70.243 -1.088 1
1 899 . 19 1 1 A 83 83 THR C C 83 173.582 174.299 -0.717 1
1 900 . 19 1 1 A 84 84 LEU N N 84 118.186 121.163 -2.977 1
1 901 . 19 1 1 A 84 84 LEU H H 84 6.839 7.687 -0.848 1
1 902 . 19 1 1 A 84 84 LEU CA C 84 51.513 51.630 -0.117 1
1 903 . 19 1 1 A 84 84 LEU HA H 84 4.976 4.906 0.070 1
1 904 . 19 1 1 A 84 84 LEU CB C 84 45.838 45.588 0.250 1
1 916 . 19 1 1 A 84 84 LEU C C 84 175.119 174.416 0.703 1
1 918 . 19 1 1 A 85 85 PRO CA C 85 62.660 63.150 -0.490 1
1 919 . 19 1 1 A 85 85 PRO HA H 85 4.347 4.844 -0.497 1
1 920 . 19 1 1 A 85 85 PRO CB C 85 32.801 31.583 1.218 1
1 926 . 19 1 1 A 85 85 PRO C C 85 174.117 176.178 -2.061 1
1 930 . 19 1 1 A 86 86 GLY N N 86 106.704 109.032 -2.328 1
1 931 . 19 1 1 A 86 86 GLY H H 86 9.065 7.959 1.106 1
1 932 . 19 1 1 A 86 86 GLY CA C 86 44.520 45.405 -0.885 1
1 933 . 19 1 1 A 86 86 GLY HA3 H 86 3.838 4.124 -0.286 1
1 934 . 19 1 1 A 86 86 GLY C C 86 171.468 172.569 -1.101 1
1 935 . 19 1 1 A 86 86 GLY HA2 H 86 4.408 4.034 0.374 1
1 936 . 19 1 1 A 87 87 ASP N N 87 120.573 119.507 1.066 1
1 937 . 19 1 1 A 87 87 ASP H H 87 8.275 8.447 -0.172 1
1 938 . 19 1 1 A 87 87 ASP CA C 87 53.500 53.319 0.181 1
1 939 . 19 1 1 A 87 87 ASP HA H 87 5.498 4.977 0.521 1
1 940 . 19 1 1 A 87 87 ASP CB C 87 40.877 40.719 0.158 1
1 942 . 19 1 1 A 87 87 ASP C C 87 176.069 175.369 0.700 1
1 944 . 19 1 1 A 88 88 TYR N N 88 124.115 124.938 -0.823 1
1 945 . 19 1 1 A 88 88 TYR H H 88 9.510 8.554 0.956 1
1 946 . 19 1 1 A 88 88 TYR CA C 88 56.667 58.227 -1.560 1
1 947 . 19 1 1 A 88 88 TYR HA H 88 4.983 4.763 0.220 1
1 948 . 19 1 1 A 88 88 TYR CB C 88 39.633 39.857 -0.224 1
1 958 . 19 1 1 A 88 88 TYR C C 88 174.533 175.317 -0.784 1
1 960 . 19 1 1 A 89 89 SER N N 89 118.331 120.366 -2.035 1
1 961 . 19 1 1 A 89 89 SER H H 89 9.200 9.008 0.192 1
1 962 . 19 1 1 A 89 89 SER CA C 89 56.737 58.125 -1.388 1
1 963 . 19 1 1 A 89 89 SER HA H 89 5.346 4.844 0.502 1
1 964 . 19 1 1 A 89 89 SER CB C 89 64.421 62.879 1.542 1
1 966 . 19 1 1 A 89 89 SER C C 89 173.462 173.413 0.049 1
1 968 . 19 1 1 A 90 90 ILE N N 90 127.805 127.006 0.799 1
1 969 . 19 1 1 A 90 90 ILE H H 90 9.536 8.427 1.109 1
1 970 . 19 1 1 A 90 90 ILE CA C 90 61.209 61.469 -0.260 1
1 971 . 19 1 1 A 90 90 ILE HA H 90 4.505 4.405 0.100 1
1 972 . 19 1 1 A 90 90 ILE CB C 90 39.225 37.789 1.436 1
1 984 . 19 1 1 A 90 90 ILE C C 90 174.259 175.277 -1.018 1
1 986 . 19 1 1 A 91 91 LEU N N 91 129.968 127.357 2.611 1
1 987 . 19 1 1 A 91 91 LEU H H 91 9.354 8.804 0.550 1
1 988 . 19 1 1 A 91 91 LEU CA C 91 55.510 53.430 2.080 1
1 989 . 19 1 1 A 91 91 LEU HA H 91 4.774 5.321 -0.547 1
1 990 . 19 1 1 A 91 91 LEU CB C 91 42.674 44.472 -1.798 1
1 1002 . 19 1 1 A 91 91 LEU C C 91 175.517 175.455 0.062 1
1 1004 . 19 1 1 A 92 92 VAL N N 92 124.859 125.589 -0.730 1
1 1005 . 19 1 1 A 92 92 VAL H H 92 9.431 9.049 0.382 1
1 1006 . 19 1 1 A 92 92 VAL CA C 92 61.488 60.696 0.792 1
1 1007 . 19 1 1 A 92 92 VAL HA H 92 4.626 5.040 -0.414 1
1 1008 . 19 1 1 A 92 92 VAL CB C 92 33.437 34.921 -1.484 1
1 1018 . 19 1 1 A 92 92 VAL C C 92 173.589 174.757 -1.168 1
1 1019 . 19 1 1 A 93 93 LYS N N 93 123.909 125.830 -1.921 1
1 1020 . 19 1 1 A 93 93 LYS H H 93 8.660 9.242 -0.582 1
1 1021 . 19 1 1 A 93 93 LYS CA C 93 53.953 54.183 -0.230 1
1 1022 . 19 1 1 A 93 93 LYS HA H 93 5.017 4.848 0.169 1
1 1023 . 19 1 1 A 93 93 LYS CB C 93 36.475 35.872 0.603 1
1 1031 . 19 1 1 A 93 93 LYS C C 93 174.746 174.505 0.241 1
1 1036 . 19 1 1 A 94 94 TYR N N 94 120.499 123.773 -3.274 1
1 1037 . 19 1 1 A 94 94 TYR H H 94 8.821 9.105 -0.284 1
1 1038 . 19 1 1 A 94 94 TYR CA C 94 56.438 57.623 -1.185 1
1 1039 . 19 1 1 A 94 94 TYR HA H 94 5.161 4.884 0.277 1
1 1040 . 19 1 1 A 94 94 TYR CB C 94 41.931 40.989 0.942 1
1 1050 . 19 1 1 A 94 94 TYR C C 94 176.635 174.910 1.725 1
1 1052 . 19 1 1 A 95 95 ASN N N 95 128.155 126.548 1.607 1
1 1053 . 19 1 1 A 95 95 ASN H H 95 8.872 9.828 -0.956 1
1 1054 . 19 1 1 A 95 95 ASN CA C 95 54.360 54.529 -0.169 1
1 1055 . 19 1 1 A 95 95 ASN HA H 95 4.215 4.274 -0.059 1
1 1056 . 19 1 1 A 95 95 ASN CB C 95 36.735 36.733 0.002 1
1 1061 . 19 1 1 A 95 95 ASN C C 95 174.592 174.180 0.412 1
1 1063 . 19 1 1 A 96 96 ASP N N 96 110.440 109.802 0.638 1
1 1064 . 19 1 1 A 96 96 ASP H H 96 9.304 8.499 0.805 1
1 1065 . 19 1 1 A 96 96 ASP CA C 96 55.920 55.657 0.263 1
1 1066 . 19 1 1 A 96 96 ASP HA H 96 4.030 4.194 -0.164 1
1 1067 . 19 1 1 A 96 96 ASP CB C 96 40.704 39.326 1.378 1
1 1069 . 19 1 1 A 96 96 ASP C C 96 174.657 174.611 0.046 1
1 1071 . 19 1 1 A 97 97 LYS N N 97 118.806 117.946 0.860 1
1 1072 . 19 1 1 A 97 97 LYS H H 97 7.482 7.554 -0.072 1
1 1073 . 19 1 1 A 97 97 LYS CA C 97 54.378 54.870 -0.492 1
1 1074 . 19 1 1 A 97 97 LYS HA H 97 4.715 4.735 -0.020 1
1 1075 . 19 1 1 A 97 97 LYS CB C 97 35.127 34.600 0.527 1
1 1083 . 19 1 1 A 97 97 LYS C C 97 176.499 175.879 0.620 1
1 1088 . 19 1 1 A 98 98 HIS N N 98 124.063 123.517 0.546 1
1 1089 . 19 1 1 A 98 98 HIS H H 98 8.795 8.789 0.006 1
1 1090 . 19 1 1 A 98 98 HIS CA C 98 58.870 56.763 2.107 1
1 1091 . 19 1 1 A 98 98 HIS HA H 98 4.496 4.655 -0.159 1
1 1092 . 19 1 1 A 98 98 HIS CB C 98 32.178 30.240 1.938 1
1 1098 . 19 1 1 A 98 98 HIS C C 98 177.720 175.837 1.883 1
1 1100 . 19 1 1 A 99 99 ILE N N 99 120.049 118.319 1.730 1
1 1101 . 19 1 1 A 99 99 ILE H H 99 8.380 8.429 -0.049 1
1 1102 . 19 1 1 A 99 99 ILE CA C 99 60.674 59.018 1.656 1
1 1103 . 19 1 1 A 99 99 ILE HA H 99 4.696 4.667 0.029 1
1 1104 . 19 1 1 A 99 99 ILE CB C 99 35.539 38.603 -3.064 1
1 1116 . 19 1 1 A 99 99 ILE C C 99 173.419 174.374 -0.955 1
1 1118 . 19 1 1 A 100 100 PRO CA C 100 65.343 63.683 1.660 1
1 1119 . 19 1 1 A 100 100 PRO HA H 100 4.255 4.308 -0.053 1
1 1120 . 19 1 1 A 100 100 PRO CB C 100 31.128 31.290 -0.162 1
1 1126 . 19 1 1 A 100 100 PRO C C 100 176.734 177.446 -0.712 1
1 1130 . 19 1 1 A 101 101 GLY N N 101 113.906 113.271 0.635 1
1 1131 . 19 1 1 A 101 101 GLY H H 101 8.167 8.884 -0.717 1
1 1132 . 19 1 1 A 101 101 GLY CA C 101 44.668 45.040 -0.372 1
1 1133 . 19 1 1 A 101 101 GLY HA3 H 101 3.120 4.000 -0.880 1
1 1134 . 19 1 1 A 101 101 GLY C C 101 171.985 174.356 -2.371 1
1 1135 . 19 1 1 A 101 101 GLY HA2 H 101 4.140 3.925 0.215 1
1 1136 . 19 1 1 A 102 102 SER N N 102 112.418 115.326 -2.908 1
1 1137 . 19 1 1 A 102 102 SER H H 102 7.641 7.427 0.214 1
1 1138 . 19 1 1 A 102 102 SER CA C 102 54.770 56.436 -1.666 1
1 1139 . 19 1 1 A 102 102 SER HA H 102 4.107 3.499 0.608 1
1 1140 . 19 1 1 A 102 102 SER CB C 102 62.454 63.758 -1.304 1
1 1142 . 19 1 1 A 102 102 SER C C 102 174.682 173.758 0.924 1
1 1144 . 19 1 1 A 103 103 PRO CA C 103 62.301 62.171 0.130 1
1 1145 . 19 1 1 A 103 103 PRO HA H 103 5.363 4.500 0.863 1
1 1146 . 19 1 1 A 103 103 PRO CB C 103 33.964 32.701 1.263 1
1 1152 . 19 1 1 A 103 103 PRO C C 103 176.438 174.812 1.626 1
1 1156 . 19 1 1 A 104 104 PHE N N 104 126.067 119.527 6.540 1
1 1157 . 19 1 1 A 104 104 PHE H H 104 9.449 8.094 1.355 1
1 1158 . 19 1 1 A 104 104 PHE CA C 104 57.102 56.694 0.408 1
1 1159 . 19 1 1 A 104 104 PHE HA H 104 4.621 5.171 -0.550 1
1 1160 . 19 1 1 A 104 104 PHE CB C 104 40.656 43.068 -2.412 1
1 1170 . 19 1 1 A 104 104 PHE C C 104 176.313 174.723 1.590 1
1 1172 . 19 1 1 A 105 105 THR N N 105 118.402 117.607 0.795 1
1 1173 . 19 1 1 A 105 105 THR H H 105 8.842 9.035 -0.193 1
1 1174 . 19 1 1 A 105 105 THR CA C 105 62.018 61.502 0.516 1
1 1175 . 19 1 1 A 105 105 THR HA H 105 5.153 5.002 0.151 1
1 1176 . 19 1 1 A 105 105 THR CB C 105 70.095 69.914 0.181 1
1 1182 . 19 1 1 A 105 105 THR C C 105 172.525 172.972 -0.447 1
1 1183 . 19 1 1 A 106 106 ALA N N 106 131.132 129.375 1.757 1
1 1184 . 19 1 1 A 106 106 ALA H H 106 9.192 8.473 0.719 1
1 1185 . 19 1 1 A 106 106 ALA CA C 106 50.187 50.288 -0.101 1
1 1186 . 19 1 1 A 106 106 ALA HA H 106 4.435 5.254 -0.819 1
1 1187 . 19 1 1 A 106 106 ALA CB C 106 21.021 20.879 0.142 1
1 1191 . 19 1 1 A 106 106 ALA C C 106 176.136 176.134 0.002 1
1 1192 . 19 1 1 A 107 107 LYS N N 107 122.751 124.034 -1.283 1
1 1193 . 19 1 1 A 107 107 LYS H H 107 7.746 8.702 -0.956 1
1 1194 . 19 1 1 A 107 107 LYS CA C 107 55.652 56.268 -0.616 1
1 1195 . 19 1 1 A 107 107 LYS HA H 107 4.797 4.594 0.203 1
1 1196 . 19 1 1 A 107 107 LYS CB C 107 32.606 32.362 0.244 1
1 1204 . 19 1 1 A 107 107 LYS C C 107 174.648 175.382 -0.734 1
1 1209 . 19 1 1 A 108 108 ILE N N 108 127.629 125.917 1.712 1
1 1210 . 19 1 1 A 108 108 ILE H H 108 9.024 8.390 0.634 1
1 1211 . 19 1 1 A 108 108 ILE CA C 108 56.801 60.665 -3.864 1
1 1212 . 19 1 1 A 108 108 ILE HA H 108 4.688 5.256 -0.568 1
1 1213 . 19 1 1 A 108 108 ILE CB C 108 35.101 39.753 -4.652 1
1 1225 . 19 1 1 A 108 108 ILE C C 108 178.159 175.934 2.225 1
1 1227 . 19 1 1 A 109 109 THR N N 109 121.563 117.844 3.719 1
1 1228 . 19 1 1 A 109 109 THR H H 109 8.861 8.861 0.000 1
1 1229 . 19 1 1 A 109 109 THR CA C 109 60.745 59.988 0.757 1
1 1230 . 19 1 1 A 109 109 THR HA H 109 4.778 5.150 -0.372 1
1 1231 . 19 1 1 A 109 109 THR CB C 109 71.067 71.084 -0.017 1
1 1237 . 19 1 1 A 109 109 THR C C 109 173.421 172.546 0.875 1
1 1238 . 19 1 1 A 110 110 ASP N N 110 119.526 121.618 -2.092 1
1 1239 . 19 1 1 A 110 110 ASP H H 110 8.631 8.776 -0.145 1
1 1240 . 19 1 1 A 110 110 ASP CA C 110 53.971 52.736 1.235 1
1 1241 . 19 1 1 A 110 110 ASP HA H 110 4.729 5.131 -0.402 1
1 1242 . 19 1 1 A 110 110 ASP CB C 110 42.087 43.078 -0.991 1
1 1244 . 19 1 1 A 110 110 ASP C C 110 176.124 174.525 1.599 1
1 1246 . 19 1 1 A 111 111 ASP N N 111 122.287 127.267 -4.980 1
1 1247 . 19 1 1 A 111 111 ASP H H 111 8.638 8.775 -0.137 1
1 1248 . 19 1 1 A 111 111 ASP CA C 111 54.042 52.849 1.193 1
1 1249 . 19 1 1 A 111 111 ASP HA H 111 4.644 4.760 -0.116 1
1 1250 . 19 1 1 A 111 111 ASP CB C 111 41.218 39.488 1.730 1
1 1252 . 19 1 1 A 111 111 ASP C C 111 176.668 176.058 0.610 1
1 1254 . 19 1 1 A 112 112 SER N N 112 117.157 118.269 -1.112 1
1 1255 . 19 1 1 A 112 112 SER H H 112 8.416 7.811 0.605 1
1 1256 . 19 1 1 A 112 112 SER CA C 112 59.277 61.307 -2.030 1
1 1257 . 19 1 1 A 112 112 SER HA H 112 4.348 4.230 0.118 1
1 1258 . 19 1 1 A 112 112 SER CB C 112 63.943 62.967 0.976 1
1 1260 . 19 1 1 A 112 112 SER C C 112 174.721 176.344 -1.623 1
1 1262 . 19 1 1 A 113 113 ARG N N 113 122.178 120.959 1.219 1
1 1263 . 19 1 1 A 113 113 ARG H H 113 8.238 7.673 0.565 1
1 1264 . 19 1 1 A 113 113 ARG CA C 113 56.195 58.530 -2.335 1
1 1265 . 19 1 1 A 113 113 ARG HA H 113 4.347 4.118 0.229 1
1 1266 . 19 1 1 A 113 113 ARG CB C 113 30.470 30.405 0.065 1
1 1271 . 19 1 1 A 113 113 ARG C C 113 176.207 176.055 0.152 1
1 1275 . 19 1 1 A 114 114 ARG N N 114 122.696 118.317 4.379 1
1 1276 . 19 1 1 A 114 114 ARG H H 114 8.338 8.052 0.286 1
1 1277 . 19 1 1 A 114 114 ARG CA C 114 56.164 57.102 -0.938 1
1 1278 . 19 1 1 A 114 114 ARG HA H 114 4.390 4.266 0.124 1
1 1279 . 19 1 1 A 114 114 ARG CB C 114 30.679 29.031 1.648 1
1 1285 . 19 1 1 A 114 114 ARG C C 114 175.468 175.702 -0.234 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 44.699 44.790 -0.091 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.124 4.381 -0.257 1
1 3 . 20 1 1 A 7 7 GLY HA2 H 7 4.124 4.379 -0.255 1
1 4 . 20 1 1 A 8 8 PRO CA C 8 63.321 62.834 0.487 1
1 5 . 20 1 1 A 8 8 PRO HA H 8 4.418 4.655 -0.237 1
1 6 . 20 1 1 A 8 8 PRO CB C 8 32.104 32.175 -0.071 1
1 12 . 20 1 1 A 8 8 PRO C C 8 177.159 175.986 1.173 1
1 16 . 20 1 1 A 9 9 GLU N N 9 120.837 123.772 -2.935 1
1 17 . 20 1 1 A 9 9 GLU H H 9 8.612 8.702 -0.090 1
1 18 . 20 1 1 A 9 9 GLU CA C 9 56.642 55.604 1.038 1
1 19 . 20 1 1 A 9 9 GLU HA H 9 4.282 4.680 -0.398 1
1 20 . 20 1 1 A 9 9 GLU CB C 9 30.181 29.890 0.291 1
1 24 . 20 1 1 A 9 9 GLU C C 9 176.387 175.128 1.259 1
1 27 . 20 1 1 A 10 10 SER N N 10 117.776 119.027 -1.251 1
1 28 . 20 1 1 A 10 10 SER H H 10 8.264 8.862 -0.598 1
1 29 . 20 1 1 A 10 10 SER CA C 10 56.382 55.306 1.076 1
1 30 . 20 1 1 A 10 10 SER HA H 10 4.763 5.072 -0.309 1
1 31 . 20 1 1 A 10 10 SER CB C 10 63.575 65.831 -2.256 1
1 33 . 20 1 1 A 10 10 SER C C 10 172.958 171.636 1.322 1
1 35 . 20 1 1 A 11 11 PRO CA C 11 63.404 62.691 0.713 1
1 36 . 20 1 1 A 11 11 PRO HA H 11 4.432 4.767 -0.335 1
1 37 . 20 1 1 A 11 11 PRO CB C 11 31.958 31.675 0.283 1
1 43 . 20 1 1 A 11 11 PRO C C 11 176.922 176.015 0.907 1
1 47 . 20 1 1 A 12 12 LEU N N 12 121.245 124.812 -3.567 1
1 48 . 20 1 1 A 12 12 LEU H H 12 8.172 8.708 -0.536 1
1 49 . 20 1 1 A 12 12 LEU CA C 12 55.521 53.140 2.381 1
1 50 . 20 1 1 A 12 12 LEU HA H 12 4.236 4.845 -0.609 1
1 51 . 20 1 1 A 12 12 LEU CB C 12 42.138 46.233 -4.095 1
1 63 . 20 1 1 A 12 12 LEU C C 12 177.236 175.715 1.521 1
1 65 . 20 1 1 A 13 13 GLN N N 13 120.086 121.946 -1.860 1
1 66 . 20 1 1 A 13 13 GLN H H 13 8.098 8.357 -0.259 1
1 67 . 20 1 1 A 13 13 GLN CA C 13 55.785 54.792 0.993 1
1 68 . 20 1 1 A 13 13 GLN HA H 13 4.220 4.819 -0.599 1
1 69 . 20 1 1 A 13 13 GLN CB C 13 29.628 29.247 0.381 1
1 76 . 20 1 1 A 13 13 GLN C C 13 175.243 174.587 0.656 1
1 79 . 20 1 1 A 14 14 PHE N N 14 120.461 121.059 -0.598 1
1 80 . 20 1 1 A 14 14 PHE H H 14 8.056 8.648 -0.592 1
1 81 . 20 1 1 A 14 14 PHE CA C 14 57.739 56.531 1.208 1
1 82 . 20 1 1 A 14 14 PHE HA H 14 4.545 4.851 -0.306 1
1 83 . 20 1 1 A 14 14 PHE CB C 14 39.825 43.922 -4.097 1
1 95 . 20 1 1 A 14 14 PHE C C 14 175.022 174.339 0.683 1
1 97 . 20 1 1 A 15 15 TYR N N 15 121.213 119.941 1.272 1
1 98 . 20 1 1 A 15 15 TYR H H 15 8.004 9.081 -1.077 1
1 99 . 20 1 1 A 15 15 TYR CA C 15 57.756 57.431 0.325 1
1 100 . 20 1 1 A 15 15 TYR HA H 15 4.506 4.953 -0.447 1
1 101 . 20 1 1 A 15 15 TYR CB C 15 39.012 38.258 0.754 1
1 111 . 20 1 1 A 15 15 TYR C C 15 175.174 175.652 -0.478 1
1 113 . 20 1 1 A 16 16 VAL N N 16 121.693 118.471 3.222 1
1 114 . 20 1 1 A 16 16 VAL H H 16 7.900 8.763 -0.863 1
1 115 . 20 1 1 A 16 16 VAL CA C 16 62.248 59.434 2.814 1
1 116 . 20 1 1 A 16 16 VAL HA H 16 3.932 4.486 -0.554 1
1 117 . 20 1 1 A 16 16 VAL CB C 16 33.023 34.423 -1.400 1
1 127 . 20 1 1 A 16 16 VAL C C 16 175.016 175.568 -0.552 1
1 128 . 20 1 1 A 17 17 ASN N N 17 121.488 121.768 -0.280 1
1 129 . 20 1 1 A 17 17 ASN H H 17 8.198 8.079 0.119 1
1 130 . 20 1 1 A 17 17 ASN CA C 17 52.948 52.895 0.053 1
1 131 . 20 1 1 A 17 17 ASN HA H 17 4.630 4.911 -0.281 1
1 132 . 20 1 1 A 17 17 ASN CB C 17 39.289 39.107 0.182 1
1 137 . 20 1 1 A 17 17 ASN C C 17 174.167 174.173 -0.006 1
1 139 . 20 1 1 A 18 18 TYR N N 18 122.069 119.836 2.233 1
1 140 . 20 1 1 A 18 18 TYR H H 18 8.117 7.229 0.888 1
1 141 . 20 1 1 A 18 18 TYR CA C 18 55.970 55.989 -0.019 1
1 142 . 20 1 1 A 18 18 TYR HA H 18 4.771 4.914 -0.143 1
1 143 . 20 1 1 A 18 18 TYR CB C 18 38.260 39.149 -0.889 1
1 153 . 20 1 1 A 18 18 TYR C C 18 173.978 173.902 0.076 1
1 155 . 20 1 1 A 19 19 PRO CA C 19 63.378 62.697 0.681 1
1 156 . 20 1 1 A 19 19 PRO HA H 19 4.414 4.698 -0.284 1
1 157 . 20 1 1 A 19 19 PRO CB C 19 32.018 31.726 0.292 1
1 163 . 20 1 1 A 19 19 PRO C C 19 176.659 176.990 -0.331 1
1 167 . 20 1 1 A 20 20 ASN N N 20 118.582 121.716 -3.134 1
1 168 . 20 1 1 A 20 20 ASN H H 20 8.508 8.375 0.133 1
1 169 . 20 1 1 A 20 20 ASN CA C 20 53.334 52.966 0.368 1
1 170 . 20 1 1 A 20 20 ASN HA H 20 4.756 4.952 -0.196 1
1 171 . 20 1 1 A 20 20 ASN CB C 20 38.964 38.886 0.078 1
1 176 . 20 1 1 A 20 20 ASN C C 20 175.301 174.379 0.922 1
1 178 . 20 1 1 A 21 21 SER N N 21 115.989 121.123 -5.134 1
1 179 . 20 1 1 A 21 21 SER H H 21 8.360 9.026 -0.666 1
1 180 . 20 1 1 A 21 21 SER CA C 21 58.877 56.797 2.080 1
1 181 . 20 1 1 A 21 21 SER HA H 21 4.481 4.821 -0.340 1
1 182 . 20 1 1 A 21 21 SER CB C 21 63.988 63.513 0.475 1
1 184 . 20 1 1 A 21 21 SER C C 21 175.006 174.219 0.787 1
1 186 . 20 1 1 A 22 22 GLY N N 22 110.974 113.686 -2.712 1
1 187 . 20 1 1 A 22 22 GLY H H 22 8.523 8.737 -0.214 1
1 188 . 20 1 1 A 22 22 GLY CA C 22 45.429 44.575 0.854 1
1 189 . 20 1 1 A 22 22 GLY HA3 H 22 4.074 4.058 0.016 1
1 190 . 20 1 1 A 22 22 GLY C C 22 173.860 173.696 0.164 1
1 191 . 20 1 1 A 22 22 GLY HA2 H 22 4.074 4.049 0.025 1
1 192 . 20 1 1 A 23 23 SER N N 23 115.179 116.118 -0.939 1
1 193 . 20 1 1 A 23 23 SER H H 23 8.190 8.562 -0.372 1
1 194 . 20 1 1 A 23 23 SER CA C 23 58.233 56.617 1.616 1
1 195 . 20 1 1 A 23 23 SER HA H 23 4.511 5.473 -0.962 1
1 196 . 20 1 1 A 23 23 SER CB C 23 64.511 66.448 -1.937 1
1 198 . 20 1 1 A 23 23 SER C C 23 173.263 172.741 0.522 1
1 200 . 20 1 1 A 24 24 VAL N N 24 122.289 122.726 -0.437 1
1 201 . 20 1 1 A 24 24 VAL H H 24 7.889 8.935 -1.046 1
1 202 . 20 1 1 A 24 24 VAL CA C 24 61.754 60.983 0.771 1
1 203 . 20 1 1 A 24 24 VAL HA H 24 4.567 4.708 -0.141 1
1 204 . 20 1 1 A 24 24 VAL CB C 24 33.612 33.462 0.150 1
1 214 . 20 1 1 A 24 24 VAL C C 24 174.799 175.259 -0.460 1
1 215 . 20 1 1 A 25 25 SER N N 25 118.995 123.057 -4.062 1
1 216 . 20 1 1 A 25 25 SER H H 25 8.244 8.881 -0.637 1
1 217 . 20 1 1 A 25 25 SER CA C 25 57.102 57.387 -0.285 1
1 218 . 20 1 1 A 25 25 SER HA H 25 5.039 5.479 -0.440 1
1 219 . 20 1 1 A 25 25 SER CB C 25 66.338 66.965 -0.627 1
1 221 . 20 1 1 A 25 25 SER C C 25 171.718 172.898 -1.180 1
1 223 . 20 1 1 A 26 26 ALA N N 26 121.537 123.969 -2.432 1
1 224 . 20 1 1 A 26 26 ALA H H 26 8.503 8.845 -0.342 1
1 225 . 20 1 1 A 26 26 ALA CA C 26 50.695 51.010 -0.315 1
1 226 . 20 1 1 A 26 26 ALA HA H 26 5.637 5.159 0.478 1
1 227 . 20 1 1 A 26 26 ALA CB C 26 23.364 22.367 0.997 1
1 231 . 20 1 1 A 26 26 ALA C C 26 175.355 175.581 -0.226 1
1 232 . 20 1 1 A 27 27 TYR N N 27 116.588 117.807 -1.219 1
1 233 . 20 1 1 A 27 27 TYR H H 27 8.885 8.483 0.402 1
1 234 . 20 1 1 A 27 27 TYR CA C 27 57.013 55.589 1.424 1
1 235 . 20 1 1 A 27 27 TYR HA H 27 4.742 5.368 -0.626 1
1 236 . 20 1 1 A 27 27 TYR CB C 27 40.325 41.467 -1.142 1
1 246 . 20 1 1 A 27 27 TYR C C 27 172.990 173.931 -0.941 1
1 248 . 20 1 1 A 28 28 GLY N N 28 108.423 106.912 1.511 1
1 249 . 20 1 1 A 28 28 GLY H H 28 8.475 8.397 0.078 1
1 250 . 20 1 1 A 28 28 GLY CA C 28 44.439 45.388 -0.949 1
1 251 . 20 1 1 A 28 28 GLY HA3 H 28 4.141 4.291 -0.150 1
1 252 . 20 1 1 A 28 28 GLY C C 28 173.419 174.022 -0.603 1
1 253 . 20 1 1 A 28 28 GLY HA2 H 28 5.092 4.273 0.819 1
1 254 . 20 1 1 A 29 29 PRO CA C 29 65.537 64.132 1.405 1
1 255 . 20 1 1 A 29 29 PRO HA H 29 4.298 4.436 -0.138 1
1 256 . 20 1 1 A 29 29 PRO CB C 29 31.509 31.850 -0.341 1
1 262 . 20 1 1 A 29 29 PRO C C 29 178.493 177.701 0.792 1
1 266 . 20 1 1 A 30 30 GLY N N 30 102.459 106.624 -4.165 1
1 267 . 20 1 1 A 30 30 GLY H H 30 8.655 8.432 0.223 1
1 268 . 20 1 1 A 30 30 GLY CA C 30 46.245 45.949 0.296 1
1 269 . 20 1 1 A 30 30 GLY HA3 H 30 3.417 4.114 -0.697 1
1 270 . 20 1 1 A 30 30 GLY C C 30 172.945 175.126 -2.181 1
1 271 . 20 1 1 A 30 30 GLY HA2 H 30 4.316 4.042 0.274 1
1 272 . 20 1 1 A 31 31 LEU N N 31 116.436 121.462 -5.026 1
1 273 . 20 1 1 A 31 31 LEU H H 31 7.049 7.468 -0.419 1
1 274 . 20 1 1 A 31 31 LEU CA C 31 55.368 56.934 -1.566 1
1 275 . 20 1 1 A 31 31 LEU HA H 31 3.784 4.069 -0.285 1
1 276 . 20 1 1 A 31 31 LEU CB C 31 42.148 42.060 0.088 1
1 288 . 20 1 1 A 31 31 LEU C C 31 175.321 178.690 -3.369 1
1 290 . 20 1 1 A 32 32 VAL N N 32 112.078 116.749 -4.671 1
1 291 . 20 1 1 A 32 32 VAL H H 32 7.739 7.015 0.724 1
1 292 . 20 1 1 A 32 32 VAL CA C 32 62.956 65.403 -2.447 1
1 293 . 20 1 1 A 32 32 VAL HA H 32 4.574 3.553 1.021 1
1 294 . 20 1 1 A 32 32 VAL CB C 32 35.415 31.154 4.261 1
1 304 . 20 1 1 A 32 32 VAL C C 32 176.810 175.713 1.097 1
1 305 . 20 1 1 A 33 33 TYR N N 33 121.116 115.662 5.454 1
1 306 . 20 1 1 A 33 33 TYR H H 33 8.638 7.527 1.111 1
1 307 . 20 1 1 A 33 33 TYR CA C 33 56.523 56.013 0.510 1
1 308 . 20 1 1 A 33 33 TYR HA H 33 5.639 4.963 0.676 1
1 309 . 20 1 1 A 33 33 TYR CB C 33 42.165 41.249 0.916 1
1 319 . 20 1 1 A 33 33 TYR C C 33 172.858 173.809 -0.951 1
1 321 . 20 1 1 A 34 34 GLY N N 34 107.313 106.777 0.536 1
1 322 . 20 1 1 A 34 34 GLY H H 34 7.637 8.546 -0.909 1
1 323 . 20 1 1 A 34 34 GLY CA C 34 44.721 45.847 -1.126 1
1 324 . 20 1 1 A 34 34 GLY HA3 H 34 3.793 4.370 -0.577 1
1 325 . 20 1 1 A 34 34 GLY C C 34 170.727 171.524 -0.797 1
1 326 . 20 1 1 A 34 34 GLY HA2 H 34 3.873 4.362 -0.489 1
1 327 . 20 1 1 A 35 35 VAL N N 35 120.853 119.851 1.002 1
1 328 . 20 1 1 A 35 35 VAL H H 35 8.731 8.360 0.371 1
1 329 . 20 1 1 A 35 35 VAL CA C 35 60.627 60.282 0.345 1
1 330 . 20 1 1 A 35 35 VAL HA H 35 4.589 5.049 -0.460 1
1 331 . 20 1 1 A 35 35 VAL CB C 35 35.374 35.679 -0.305 1
1 341 . 20 1 1 A 35 35 VAL C C 35 174.813 174.827 -0.014 1
1 342 . 20 1 1 A 36 36 ALA N N 36 127.708 128.497 -0.789 1
1 343 . 20 1 1 A 36 36 ALA H H 36 8.482 8.579 -0.097 1
1 344 . 20 1 1 A 36 36 ALA CA C 36 53.332 53.008 0.324 1
1 345 . 20 1 1 A 36 36 ALA HA H 36 3.535 4.170 -0.635 1
1 346 . 20 1 1 A 36 36 ALA CB C 36 17.653 18.698 -1.045 1
1 350 . 20 1 1 A 36 36 ALA C C 36 176.968 178.202 -1.234 1
1 351 . 20 1 1 A 37 37 ASN N N 37 111.234 116.765 -5.531 1
1 352 . 20 1 1 A 37 37 ASN H H 37 9.147 8.646 0.501 1
1 353 . 20 1 1 A 37 37 ASN CA C 37 55.728 54.361 1.367 1
1 354 . 20 1 1 A 37 37 ASN HA H 37 3.962 4.354 -0.392 1
1 355 . 20 1 1 A 37 37 ASN CB C 37 37.147 37.155 -0.008 1
1 360 . 20 1 1 A 37 37 ASN C C 37 173.119 173.903 -0.784 1
1 362 . 20 1 1 A 38 38 LYS N N 38 119.100 117.136 1.964 1
1 363 . 20 1 1 A 38 38 LYS H H 38 7.972 7.590 0.382 1
1 364 . 20 1 1 A 38 38 LYS CA C 38 54.306 54.705 -0.399 1
1 365 . 20 1 1 A 38 38 LYS HA H 38 4.606 4.654 -0.048 1
1 366 . 20 1 1 A 38 38 LYS CB C 38 34.799 35.572 -0.773 1
1 374 . 20 1 1 A 38 38 LYS C C 38 175.533 176.080 -0.547 1
1 379 . 20 1 1 A 39 39 THR N N 39 114.730 117.437 -2.707 1
1 380 . 20 1 1 A 39 39 THR H H 39 8.158 8.700 -0.542 1
1 381 . 20 1 1 A 39 39 THR CA C 39 63.302 62.439 0.863 1
1 382 . 20 1 1 A 39 39 THR HA H 39 4.138 4.121 0.017 1
1 383 . 20 1 1 A 39 39 THR CB C 39 69.652 69.285 0.367 1
1 389 . 20 1 1 A 39 39 THR C C 39 174.281 174.331 -0.050 1
1 390 . 20 1 1 A 40 40 ALA N N 40 129.891 125.506 4.385 1
1 391 . 20 1 1 A 40 40 ALA H H 40 8.750 8.290 0.460 1
1 392 . 20 1 1 A 40 40 ALA CA C 40 50.399 51.307 -0.908 1
1 393 . 20 1 1 A 40 40 ALA HA H 40 4.702 5.034 -0.332 1
1 394 . 20 1 1 A 40 40 ALA CB C 40 20.495 21.401 -0.906 1
1 398 . 20 1 1 A 40 40 ALA C C 40 176.039 175.274 0.765 1
1 399 . 20 1 1 A 41 41 THR N N 41 112.902 117.991 -5.089 1
1 400 . 20 1 1 A 41 41 THR H H 41 8.536 8.936 -0.400 1
1 401 . 20 1 1 A 41 41 THR CA C 41 59.688 59.629 0.059 1
1 402 . 20 1 1 A 41 41 THR HA H 41 5.779 5.419 0.360 1
1 403 . 20 1 1 A 41 41 THR CB C 41 72.348 72.283 0.065 1
1 409 . 20 1 1 A 41 41 THR C C 41 173.286 172.754 0.532 1
1 410 . 20 1 1 A 42 42 PHE N N 42 119.525 119.741 -0.216 1
1 411 . 20 1 1 A 42 42 PHE H H 42 8.825 8.347 0.478 1
1 412 . 20 1 1 A 42 42 PHE CA C 42 57.031 55.435 1.596 1
1 413 . 20 1 1 A 42 42 PHE HA H 42 5.013 5.435 -0.422 1
1 414 . 20 1 1 A 42 42 PHE CB C 42 40.155 41.891 -1.736 1
1 426 . 20 1 1 A 42 42 PHE C C 42 171.282 172.501 -1.219 1
1 428 . 20 1 1 A 43 43 THR N N 43 117.427 114.279 3.148 1
1 429 . 20 1 1 A 43 43 THR H H 43 9.210 8.237 0.973 1
1 430 . 20 1 1 A 43 43 THR CA C 43 62.250 60.957 1.293 1
1 431 . 20 1 1 A 43 43 THR HA H 43 4.987 5.080 -0.093 1
1 432 . 20 1 1 A 43 43 THR CB C 43 71.510 70.607 0.903 1
1 438 . 20 1 1 A 43 43 THR C C 43 173.061 173.369 -0.308 1
1 439 . 20 1 1 A 44 44 ILE N N 44 123.638 125.659 -2.021 1
1 440 . 20 1 1 A 44 44 ILE H H 44 8.859 8.995 -0.136 1
1 441 . 20 1 1 A 44 44 ILE CA C 44 59.843 59.568 0.275 1
1 442 . 20 1 1 A 44 44 ILE HA H 44 4.824 4.889 -0.065 1
1 443 . 20 1 1 A 44 44 ILE CB C 44 40.866 40.932 -0.066 1
1 455 . 20 1 1 A 44 44 ILE C C 44 174.707 174.952 -0.245 1
1 457 . 20 1 1 A 45 45 VAL N N 45 128.904 126.976 1.928 1
1 458 . 20 1 1 A 45 45 VAL H H 45 9.299 8.563 0.736 1
1 459 . 20 1 1 A 45 45 VAL CA C 45 62.119 61.855 0.264 1
1 460 . 20 1 1 A 45 45 VAL HA H 45 4.492 4.411 0.081 1
1 461 . 20 1 1 A 45 45 VAL CB C 45 32.683 31.174 1.509 1
1 471 . 20 1 1 A 45 45 VAL C C 45 175.606 175.103 0.503 1
1 472 . 20 1 1 A 46 46 THR N N 46 117.412 124.271 -6.859 1
1 473 . 20 1 1 A 46 46 THR H H 46 8.434 8.945 -0.511 1
1 474 . 20 1 1 A 46 46 THR CA C 46 60.650 61.792 -1.142 1
1 475 . 20 1 1 A 46 46 THR HA H 46 4.505 4.450 0.055 1
1 476 . 20 1 1 A 46 46 THR CB C 46 69.432 66.960 2.472 1
1 482 . 20 1 1 A 46 46 THR C C 46 174.882 173.713 1.169 1
1 483 . 20 1 1 A 47 47 GLU N N 47 122.657 125.756 -3.099 1
1 484 . 20 1 1 A 47 47 GLU H H 47 8.052 8.180 -0.128 1
1 485 . 20 1 1 A 47 47 GLU CA C 47 57.419 55.912 1.507 1
1 486 . 20 1 1 A 47 47 GLU HA H 47 4.231 4.337 -0.106 1
1 487 . 20 1 1 A 47 47 GLU CB C 47 30.281 29.014 1.267 1
1 491 . 20 1 1 A 47 47 GLU C C 47 175.887 177.003 -1.116 1
1 494 . 20 1 1 A 48 48 ASP N N 48 120.269 123.804 -3.535 1
1 495 . 20 1 1 A 48 48 ASP H H 48 8.536 8.496 0.040 1
1 496 . 20 1 1 A 48 48 ASP CA C 48 54.396 55.156 -0.760 1
1 497 . 20 1 1 A 48 48 ASP HA H 48 4.638 4.415 0.223 1
1 498 . 20 1 1 A 48 48 ASP CB C 48 40.979 40.116 0.863 1
1 500 . 20 1 1 A 48 48 ASP C C 48 175.709 176.522 -0.813 1
1 502 . 20 1 1 A 49 49 ALA N N 49 122.506 120.416 2.090 1
1 503 . 20 1 1 A 49 49 ALA H H 49 8.109 8.203 -0.094 1
1 504 . 20 1 1 A 49 49 ALA CA C 49 52.774 53.702 -0.928 1
1 505 . 20 1 1 A 49 49 ALA HA H 49 4.195 4.651 -0.456 1
1 506 . 20 1 1 A 49 49 ALA CB C 49 19.343 19.321 0.022 1
1 510 . 20 1 1 A 49 49 ALA C C 49 178.316 178.426 -0.110 1
1 511 . 20 1 1 A 50 50 GLY N N 50 107.563 105.486 2.077 1
1 512 . 20 1 1 A 50 50 GLY H H 50 8.269 7.951 0.318 1
1 513 . 20 1 1 A 50 50 GLY CA C 50 45.288 44.959 0.329 1
1 514 . 20 1 1 A 50 50 GLY HA3 H 50 3.993 4.012 -0.019 1
1 515 . 20 1 1 A 50 50 GLY C C 50 174.421 173.389 1.032 1
1 516 . 20 1 1 A 50 50 GLY HA2 H 50 3.993 3.996 -0.003 1
1 517 . 20 1 1 A 51 51 GLU N N 51 121.358 120.212 1.146 1
1 518 . 20 1 1 A 51 51 GLU H H 51 8.519 8.544 -0.025 1
1 519 . 20 1 1 A 51 51 GLU CA C 51 56.890 55.619 1.271 1
1 520 . 20 1 1 A 51 51 GLU HA H 51 4.309 4.515 -0.206 1
1 521 . 20 1 1 A 51 51 GLU CB C 51 30.204 28.726 1.478 1
1 525 . 20 1 1 A 51 51 GLU C C 51 177.003 176.361 0.642 1
1 528 . 20 1 1 A 52 52 GLY N N 52 109.575 112.934 -3.359 1
1 529 . 20 1 1 A 52 52 GLY H H 52 8.349 8.546 -0.197 1
1 530 . 20 1 1 A 52 52 GLY CA C 52 45.571 46.203 -0.632 1
1 531 . 20 1 1 A 52 52 GLY HA3 H 52 3.895 4.076 -0.181 1
1 532 . 20 1 1 A 52 52 GLY C C 52 173.666 175.199 -1.533 1
1 533 . 20 1 1 A 52 52 GLY HA2 H 52 3.810 4.071 -0.261 1
1 534 . 20 1 1 A 53 53 GLY N N 53 106.657 105.245 1.412 1
1 535 . 20 1 1 A 53 53 GLY H H 53 7.893 7.548 0.345 1
1 536 . 20 1 1 A 53 53 GLY CA C 53 45.199 45.646 -0.447 1
1 537 . 20 1 1 A 53 53 GLY HA3 H 53 3.613 4.113 -0.500 1
1 538 . 20 1 1 A 53 53 GLY C C 53 173.414 173.615 -0.201 1
1 539 . 20 1 1 A 53 53 GLY HA2 H 53 4.036 4.092 -0.056 1
1 540 . 20 1 1 A 54 54 LEU N N 54 124.121 123.305 0.816 1
1 541 . 20 1 1 A 54 54 LEU H H 54 8.241 8.151 0.090 1
1 542 . 20 1 1 A 54 54 LEU CA C 54 54.528 54.250 0.278 1
1 543 . 20 1 1 A 54 54 LEU HA H 54 5.056 4.789 0.267 1
1 544 . 20 1 1 A 54 54 LEU CB C 54 44.325 44.340 -0.015 1
1 556 . 20 1 1 A 54 54 LEU C C 54 176.080 174.986 1.094 1
1 558 . 20 1 1 A 55 55 ASP N N 55 126.024 127.022 -0.998 1
1 559 . 20 1 1 A 55 55 ASP H H 55 8.981 8.670 0.311 1
1 560 . 20 1 1 A 55 55 ASP CA C 55 54.095 52.762 1.333 1
1 561 . 20 1 1 A 55 55 ASP HA H 55 4.879 5.392 -0.513 1
1 562 . 20 1 1 A 55 55 ASP CB C 55 44.582 44.874 -0.292 1
1 564 . 20 1 1 A 55 55 ASP C C 55 173.601 173.937 -0.336 1
1 566 . 20 1 1 A 56 56 LEU N N 56 125.098 125.462 -0.364 1
1 567 . 20 1 1 A 56 56 LEU H H 56 8.300 8.916 -0.616 1
1 568 . 20 1 1 A 56 56 LEU CA C 56 53.221 54.061 -0.840 1
1 569 . 20 1 1 A 56 56 LEU HA H 56 5.422 5.199 0.223 1
1 570 . 20 1 1 A 56 56 LEU CB C 56 46.028 45.912 0.116 1
1 582 . 20 1 1 A 56 56 LEU C C 56 175.700 174.949 0.751 1
1 584 . 20 1 1 A 57 57 ALA N N 57 125.664 126.587 -0.923 1
1 585 . 20 1 1 A 57 57 ALA H H 57 8.840 8.631 0.209 1
1 586 . 20 1 1 A 57 57 ALA CA C 57 51.851 50.878 0.973 1
1 587 . 20 1 1 A 57 57 ALA HA H 57 4.600 5.040 -0.440 1
1 588 . 20 1 1 A 57 57 ALA CB C 57 22.862 24.172 -1.310 1
1 592 . 20 1 1 A 57 57 ALA C C 57 174.504 175.375 -0.871 1
1 593 . 20 1 1 A 58 58 ILE N N 58 119.429 119.816 -0.387 1
1 594 . 20 1 1 A 58 58 ILE H H 58 8.617 8.611 0.006 1
1 595 . 20 1 1 A 58 58 ILE CA C 58 60.143 60.065 0.078 1
1 596 . 20 1 1 A 58 58 ILE HA H 58 5.272 4.844 0.428 1
1 597 . 20 1 1 A 58 58 ILE CB C 58 41.068 42.415 -1.347 1
1 609 . 20 1 1 A 58 58 ILE C C 58 175.328 174.608 0.720 1
1 611 . 20 1 1 A 59 59 GLU N N 59 128.665 123.319 5.346 1
1 612 . 20 1 1 A 59 59 GLU H H 59 9.315 8.721 0.594 1
1 613 . 20 1 1 A 59 59 GLU CA C 59 54.166 54.975 -0.809 1
1 614 . 20 1 1 A 59 59 GLU HA H 59 4.920 5.083 -0.163 1
1 615 . 20 1 1 A 59 59 GLU CB C 59 32.698 33.233 -0.535 1
1 619 . 20 1 1 A 59 59 GLU C C 59 175.108 175.427 -0.319 1
1 622 . 20 1 1 A 60 60 GLY N N 60 110.929 108.650 2.279 1
1 623 . 20 1 1 A 60 60 GLY H H 60 8.427 8.329 0.098 1
1 624 . 20 1 1 A 60 60 GLY CA C 60 45.608 44.622 0.986 1
1 625 . 20 1 1 A 60 60 GLY HA3 H 60 3.927 4.142 -0.215 1
1 626 . 20 1 1 A 60 60 GLY C C 60 171.379 173.938 -2.559 1
1 627 . 20 1 1 A 60 60 GLY HA2 H 60 3.531 4.020 -0.489 1
1 628 . 20 1 1 A 61 61 PRO CA C 61 64.103 63.897 0.206 1
1 629 . 20 1 1 A 61 61 PRO HA H 61 4.270 4.416 -0.146 1
1 630 . 20 1 1 A 61 61 PRO CB C 61 32.206 31.838 0.368 1
1 636 . 20 1 1 A 61 61 PRO C C 61 176.075 175.972 0.103 1
1 640 . 20 1 1 A 62 62 SER N N 62 108.474 111.615 -3.141 1
1 641 . 20 1 1 A 62 62 SER H H 62 7.099 7.504 -0.405 1
1 642 . 20 1 1 A 62 62 SER CA C 62 56.398 56.553 -0.155 1
1 643 . 20 1 1 A 62 62 SER HA H 62 4.655 4.663 -0.008 1
1 644 . 20 1 1 A 62 62 SER CB C 62 67.457 64.974 2.483 1
1 646 . 20 1 1 A 62 62 SER C C 62 172.805 172.868 -0.063 1
1 648 . 20 1 1 A 63 63 LYS N N 63 122.679 119.686 2.993 1
1 649 . 20 1 1 A 63 63 LYS H H 63 8.653 8.578 0.075 1
1 650 . 20 1 1 A 63 63 LYS CA C 63 55.822 55.490 0.332 1
1 651 . 20 1 1 A 63 63 LYS HA H 63 4.449 5.042 -0.593 1
1 652 . 20 1 1 A 63 63 LYS CB C 63 31.384 34.349 -2.965 1
1 660 . 20 1 1 A 63 63 LYS C C 63 175.601 175.496 0.105 1
1 665 . 20 1 1 A 64 64 ALA N N 64 130.710 121.855 8.855 1
1 666 . 20 1 1 A 64 64 ALA H H 64 8.690 8.415 0.275 1
1 667 . 20 1 1 A 64 64 ALA CA C 64 51.425 51.353 0.072 1
1 668 . 20 1 1 A 64 64 ALA HA H 64 4.578 4.987 -0.409 1
1 669 . 20 1 1 A 64 64 ALA CB C 64 19.803 22.203 -2.400 1
1 673 . 20 1 1 A 64 64 ALA C C 64 176.395 176.737 -0.342 1
1 674 . 20 1 1 A 65 65 GLU N N 65 123.534 122.838 0.696 1
1 675 . 20 1 1 A 65 65 GLU H H 65 8.397 8.690 -0.293 1
1 676 . 20 1 1 A 65 65 GLU CA C 65 56.854 56.566 0.288 1
1 677 . 20 1 1 A 65 65 GLU HA H 65 4.278 4.306 -0.028 1
1 678 . 20 1 1 A 65 65 GLU CB C 65 30.346 30.180 0.166 1
1 682 . 20 1 1 A 65 65 GLU C C 65 176.381 176.359 0.022 1
1 685 . 20 1 1 A 66 66 ILE N N 66 124.380 122.070 2.310 1
1 686 . 20 1 1 A 66 66 ILE H H 66 8.541 8.616 -0.075 1
1 687 . 20 1 1 A 66 66 ILE CA C 66 60.568 60.103 0.465 1
1 688 . 20 1 1 A 66 66 ILE HA H 66 4.865 4.924 -0.059 1
1 689 . 20 1 1 A 66 66 ILE CB C 66 41.804 42.396 -0.592 1
1 701 . 20 1 1 A 66 66 ILE C C 66 175.421 174.955 0.466 1
1 703 . 20 1 1 A 67 67 SER N N 67 122.057 124.582 -2.525 1
1 704 . 20 1 1 A 67 67 SER H H 67 9.035 8.873 0.162 1
1 705 . 20 1 1 A 67 67 SER CA C 67 56.908 57.827 -0.919 1
1 706 . 20 1 1 A 67 67 SER HA H 67 4.729 5.148 -0.419 1
1 707 . 20 1 1 A 67 67 SER CB C 67 64.980 65.046 -0.066 1
1 709 . 20 1 1 A 67 67 SER C C 67 172.294 173.291 -0.997 1
1 711 . 20 1 1 A 68 68 CYS N N 68 124.699 125.409 -0.710 1
1 712 . 20 1 1 A 68 68 CYS H H 68 8.732 8.748 -0.016 1
1 713 . 20 1 1 A 68 68 CYS CA C 68 57.310 57.618 -0.308 1
1 714 . 20 1 1 A 68 68 CYS HA H 68 5.038 5.051 -0.013 1
1 715 . 20 1 1 A 68 68 CYS CB C 68 28.380 29.165 -0.785 1
1 717 . 20 1 1 A 68 68 CYS C C 68 173.135 174.055 -0.920 1
1 719 . 20 1 1 A 69 69 ILE N N 69 128.680 125.488 3.192 1
1 720 . 20 1 1 A 69 69 ILE H H 69 8.757 8.301 0.456 1
1 721 . 20 1 1 A 69 69 ILE CA C 69 59.153 59.641 -0.488 1
1 722 . 20 1 1 A 69 69 ILE HA H 69 4.350 4.664 -0.314 1
1 723 . 20 1 1 A 69 69 ILE CB C 69 40.750 42.103 -1.353 1
1 735 . 20 1 1 A 69 69 ILE C C 69 174.363 174.180 0.183 1
1 737 . 20 1 1 A 70 70 ASP N N 70 126.290 126.677 -0.387 1
1 738 . 20 1 1 A 70 70 ASP H H 70 8.596 8.725 -0.129 1
1 739 . 20 1 1 A 70 70 ASP CA C 70 53.671 54.161 -0.490 1
1 740 . 20 1 1 A 70 70 ASP HA H 70 4.892 4.731 0.161 1
1 741 . 20 1 1 A 70 70 ASP CB C 70 41.069 41.880 -0.811 1
1 743 . 20 1 1 A 70 70 ASP C C 70 176.812 175.827 0.985 1
1 745 . 20 1 1 A 71 71 ASN N N 71 125.163 121.858 3.305 1
1 746 . 20 1 1 A 71 71 ASN H H 71 8.745 8.633 0.112 1
1 747 . 20 1 1 A 71 71 ASN CA C 71 54.626 51.758 2.868 1
1 748 . 20 1 1 A 71 71 ASN HA H 71 4.647 5.114 -0.467 1
1 749 . 20 1 1 A 71 71 ASN CB C 71 38.688 40.965 -2.277 1
1 754 . 20 1 1 A 71 71 ASN C C 71 175.657 175.138 0.519 1
1 756 . 20 1 1 A 72 72 LYS N N 72 114.425 119.562 -5.137 1
1 757 . 20 1 1 A 72 72 LYS H H 72 9.407 8.566 0.841 1
1 758 . 20 1 1 A 72 72 LYS CA C 72 57.535 56.157 1.378 1
1 759 . 20 1 1 A 72 72 LYS HA H 72 4.028 4.461 -0.433 1
1 760 . 20 1 1 A 72 72 LYS CB C 72 28.393 33.123 -4.730 1
1 768 . 20 1 1 A 72 72 LYS C C 72 175.123 176.788 -1.665 1
1 773 . 20 1 1 A 73 73 ASP N N 73 117.581 117.066 0.515 1
1 774 . 20 1 1 A 73 73 ASP H H 73 7.881 7.876 0.005 1
1 775 . 20 1 1 A 73 73 ASP CA C 73 52.274 54.209 -1.935 1
1 776 . 20 1 1 A 73 73 ASP HA H 73 4.769 4.660 0.109 1
1 777 . 20 1 1 A 73 73 ASP CB C 73 41.210 41.749 -0.539 1
1 779 . 20 1 1 A 73 73 ASP C C 73 177.197 176.151 1.046 1
1 781 . 20 1 1 A 74 74 GLY N N 74 109.385 105.798 3.587 1
1 782 . 20 1 1 A 74 74 GLY H H 74 8.781 7.973 0.808 1
1 783 . 20 1 1 A 74 74 GLY CA C 74 45.179 44.952 0.227 1
1 784 . 20 1 1 A 74 74 GLY HA3 H 74 3.673 4.061 -0.388 1
1 785 . 20 1 1 A 74 74 GLY C C 74 173.671 173.859 -0.188 1
1 786 . 20 1 1 A 74 74 GLY HA2 H 74 4.469 4.057 0.412 1
1 787 . 20 1 1 A 75 75 THR N N 75 110.220 110.241 -0.021 1
1 788 . 20 1 1 A 75 75 THR H H 75 8.179 7.634 0.545 1
1 789 . 20 1 1 A 75 75 THR CA C 75 59.843 59.606 0.237 1
1 790 . 20 1 1 A 75 75 THR HA H 75 5.678 5.021 0.657 1
1 791 . 20 1 1 A 75 75 THR CB C 75 73.810 72.476 1.334 1
1 797 . 20 1 1 A 75 75 THR C C 75 173.912 172.870 1.042 1
1 798 . 20 1 1 A 76 76 CYS N N 76 117.252 120.053 -2.801 1
1 799 . 20 1 1 A 76 76 CYS H H 76 9.295 8.612 0.683 1
1 800 . 20 1 1 A 76 76 CYS CA C 76 56.716 57.085 -0.369 1
1 801 . 20 1 1 A 76 76 CYS HA H 76 5.517 5.187 0.330 1
1 802 . 20 1 1 A 76 76 CYS CB C 76 31.176 30.951 0.225 1
1 804 . 20 1 1 A 76 76 CYS C C 76 174.083 173.229 0.854 1
1 806 . 20 1 1 A 77 77 THR N N 77 121.477 121.304 0.173 1
1 807 . 20 1 1 A 77 77 THR H H 77 9.137 8.866 0.271 1
1 808 . 20 1 1 A 77 77 THR CA C 77 62.565 61.653 0.912 1
1 809 . 20 1 1 A 77 77 THR HA H 77 4.592 4.680 -0.088 1
1 810 . 20 1 1 A 77 77 THR CB C 77 70.447 69.448 0.999 1
1 816 . 20 1 1 A 77 77 THR C C 77 173.469 173.347 0.122 1
1 817 . 20 1 1 A 78 78 VAL N N 78 131.586 127.567 4.019 1
1 818 . 20 1 1 A 78 78 VAL H H 78 9.099 8.106 0.993 1
1 819 . 20 1 1 A 78 78 VAL CA C 78 60.604 60.986 -0.382 1
1 820 . 20 1 1 A 78 78 VAL HA H 78 4.672 4.638 0.034 1
1 821 . 20 1 1 A 78 78 VAL CB C 78 32.061 32.034 0.027 1
1 831 . 20 1 1 A 78 78 VAL C C 78 174.618 174.870 -0.252 1
1 832 . 20 1 1 A 79 79 THR N N 79 120.071 123.656 -3.585 1
1 833 . 20 1 1 A 79 79 THR H H 79 8.782 8.585 0.197 1
1 834 . 20 1 1 A 79 79 THR CA C 79 59.685 62.213 -2.528 1
1 835 . 20 1 1 A 79 79 THR HA H 79 5.424 5.048 0.376 1
1 836 . 20 1 1 A 79 79 THR CB C 79 71.374 70.601 0.773 1
1 842 . 20 1 1 A 79 79 THR C C 79 173.250 173.528 -0.278 1
1 843 . 20 1 1 A 80 80 TYR N N 80 120.212 121.381 -1.169 1
1 844 . 20 1 1 A 80 80 TYR H H 80 9.132 8.301 0.831 1
1 845 . 20 1 1 A 80 80 TYR CA C 80 55.554 55.975 -0.421 1
1 846 . 20 1 1 A 80 80 TYR HA H 80 5.686 5.397 0.289 1
1 847 . 20 1 1 A 80 80 TYR CB C 80 42.143 41.377 0.766 1
1 857 . 20 1 1 A 80 80 TYR C C 80 172.856 172.471 0.385 1
1 859 . 20 1 1 A 81 81 LEU N N 81 121.355 123.222 -1.867 1
1 860 . 20 1 1 A 81 81 LEU H H 81 7.729 8.951 -1.222 1
1 861 . 20 1 1 A 81 81 LEU CA C 81 50.912 51.041 -0.129 1
1 862 . 20 1 1 A 81 81 LEU HA H 81 4.991 4.641 0.350 1
1 863 . 20 1 1 A 81 81 LEU CB C 81 43.636 45.286 -1.650 1
1 875 . 20 1 1 A 81 81 LEU C C 81 172.982 175.068 -2.086 1
1 877 . 20 1 1 A 82 82 PRO CA C 82 61.629 62.654 -1.025 1
1 878 . 20 1 1 A 82 82 PRO HA H 82 4.587 4.843 -0.256 1
1 879 . 20 1 1 A 82 82 PRO CB C 82 32.091 33.106 -1.015 1
1 885 . 20 1 1 A 82 82 PRO C C 82 177.683 176.970 0.713 1
1 889 . 20 1 1 A 83 83 THR N N 83 112.637 113.742 -1.105 1
1 890 . 20 1 1 A 83 83 THR H H 83 8.438 8.659 -0.221 1
1 891 . 20 1 1 A 83 83 THR CA C 83 62.207 62.937 -0.730 1
1 892 . 20 1 1 A 83 83 THR HA H 83 4.305 4.496 -0.191 1
1 893 . 20 1 1 A 83 83 THR CB C 83 69.155 70.003 -0.848 1
1 899 . 20 1 1 A 83 83 THR C C 83 173.582 174.461 -0.879 1
1 900 . 20 1 1 A 84 84 LEU N N 84 118.186 119.343 -1.157 1
1 901 . 20 1 1 A 84 84 LEU H H 84 6.839 7.651 -0.812 1
1 902 . 20 1 1 A 84 84 LEU CA C 84 51.513 51.514 -0.001 1
1 903 . 20 1 1 A 84 84 LEU HA H 84 4.976 4.922 0.054 1
1 904 . 20 1 1 A 84 84 LEU CB C 84 45.838 45.728 0.110 1
1 916 . 20 1 1 A 84 84 LEU C C 84 175.119 174.375 0.744 1
1 918 . 20 1 1 A 85 85 PRO CA C 85 62.660 63.425 -0.765 1
1 919 . 20 1 1 A 85 85 PRO HA H 85 4.347 4.771 -0.424 1
1 920 . 20 1 1 A 85 85 PRO CB C 85 32.801 31.842 0.959 1
1 926 . 20 1 1 A 85 85 PRO C C 85 174.117 176.010 -1.893 1
1 930 . 20 1 1 A 86 86 GLY N N 86 106.704 108.067 -1.363 1
1 931 . 20 1 1 A 86 86 GLY H H 86 9.065 8.023 1.042 1
1 932 . 20 1 1 A 86 86 GLY CA C 86 44.520 45.212 -0.692 1
1 933 . 20 1 1 A 86 86 GLY HA3 H 86 3.838 4.141 -0.303 1
1 934 . 20 1 1 A 86 86 GLY C C 86 171.468 172.589 -1.121 1
1 935 . 20 1 1 A 86 86 GLY HA2 H 86 4.408 4.047 0.361 1
1 936 . 20 1 1 A 87 87 ASP N N 87 120.573 119.204 1.369 1
1 937 . 20 1 1 A 87 87 ASP H H 87 8.275 8.473 -0.198 1
1 938 . 20 1 1 A 87 87 ASP CA C 87 53.500 53.369 0.131 1
1 939 . 20 1 1 A 87 87 ASP HA H 87 5.498 5.157 0.341 1
1 940 . 20 1 1 A 87 87 ASP CB C 87 40.877 40.594 0.283 1
1 942 . 20 1 1 A 87 87 ASP C C 87 176.069 175.289 0.780 1
1 944 . 20 1 1 A 88 88 TYR N N 88 124.115 124.782 -0.667 1
1 945 . 20 1 1 A 88 88 TYR H H 88 9.510 9.008 0.502 1
1 946 . 20 1 1 A 88 88 TYR CA C 88 56.667 57.575 -0.908 1
1 947 . 20 1 1 A 88 88 TYR HA H 88 4.983 4.902 0.081 1
1 948 . 20 1 1 A 88 88 TYR CB C 88 39.633 39.614 0.019 1
1 958 . 20 1 1 A 88 88 TYR C C 88 174.533 175.213 -0.680 1
1 960 . 20 1 1 A 89 89 SER N N 89 118.331 120.851 -2.520 1
1 961 . 20 1 1 A 89 89 SER H H 89 9.200 8.743 0.457 1
1 962 . 20 1 1 A 89 89 SER CA C 89 56.737 58.141 -1.404 1
1 963 . 20 1 1 A 89 89 SER HA H 89 5.346 4.843 0.503 1
1 964 . 20 1 1 A 89 89 SER CB C 89 64.421 62.968 1.453 1
1 966 . 20 1 1 A 89 89 SER C C 89 173.462 173.609 -0.147 1
1 968 . 20 1 1 A 90 90 ILE N N 90 127.805 126.818 0.987 1
1 969 . 20 1 1 A 90 90 ILE H H 90 9.536 8.275 1.261 1
1 970 . 20 1 1 A 90 90 ILE CA C 90 61.209 61.525 -0.316 1
1 971 . 20 1 1 A 90 90 ILE HA H 90 4.505 4.437 0.068 1
1 972 . 20 1 1 A 90 90 ILE CB C 90 39.225 37.965 1.260 1
1 984 . 20 1 1 A 90 90 ILE C C 90 174.259 175.386 -1.127 1
1 986 . 20 1 1 A 91 91 LEU N N 91 129.968 127.980 1.988 1
1 987 . 20 1 1 A 91 91 LEU H H 91 9.354 8.610 0.744 1
1 988 . 20 1 1 A 91 91 LEU CA C 91 55.510 53.909 1.601 1
1 989 . 20 1 1 A 91 91 LEU HA H 91 4.774 5.109 -0.335 1
1 990 . 20 1 1 A 91 91 LEU CB C 91 42.674 43.553 -0.879 1
1 1002 . 20 1 1 A 91 91 LEU C C 91 175.517 175.390 0.127 1
1 1004 . 20 1 1 A 92 92 VAL N N 92 124.859 126.331 -1.472 1
1 1005 . 20 1 1 A 92 92 VAL H H 92 9.431 9.217 0.214 1
1 1006 . 20 1 1 A 92 92 VAL CA C 92 61.488 60.905 0.583 1
1 1007 . 20 1 1 A 92 92 VAL HA H 92 4.626 4.939 -0.313 1
1 1008 . 20 1 1 A 92 92 VAL CB C 92 33.437 34.379 -0.942 1
1 1018 . 20 1 1 A 92 92 VAL C C 92 173.589 174.967 -1.378 1
1 1019 . 20 1 1 A 93 93 LYS N N 93 123.909 125.664 -1.755 1
1 1020 . 20 1 1 A 93 93 LYS H H 93 8.660 8.844 -0.184 1
1 1021 . 20 1 1 A 93 93 LYS CA C 93 53.953 54.560 -0.607 1
1 1022 . 20 1 1 A 93 93 LYS HA H 93 5.017 5.012 0.005 1
1 1023 . 20 1 1 A 93 93 LYS CB C 93 36.475 36.669 -0.194 1
1 1031 . 20 1 1 A 93 93 LYS C C 93 174.746 174.417 0.329 1
1 1036 . 20 1 1 A 94 94 TYR N N 94 120.499 124.128 -3.629 1
1 1037 . 20 1 1 A 94 94 TYR H H 94 8.821 9.397 -0.576 1
1 1038 . 20 1 1 A 94 94 TYR CA C 94 56.438 57.608 -1.170 1
1 1039 . 20 1 1 A 94 94 TYR HA H 94 5.161 4.876 0.285 1
1 1040 . 20 1 1 A 94 94 TYR CB C 94 41.931 41.254 0.677 1
1 1050 . 20 1 1 A 94 94 TYR C C 94 176.635 175.108 1.527 1
1 1052 . 20 1 1 A 95 95 ASN N N 95 128.155 125.696 2.459 1
1 1053 . 20 1 1 A 95 95 ASN H H 95 8.872 9.223 -0.351 1
1 1054 . 20 1 1 A 95 95 ASN CA C 95 54.360 53.880 0.480 1
1 1055 . 20 1 1 A 95 95 ASN HA H 95 4.215 4.234 -0.019 1
1 1056 . 20 1 1 A 95 95 ASN CB C 95 36.735 36.776 -0.041 1
1 1061 . 20 1 1 A 95 95 ASN C C 95 174.592 174.039 0.553 1
1 1063 . 20 1 1 A 96 96 ASP N N 96 110.440 116.970 -6.530 1
1 1064 . 20 1 1 A 96 96 ASP H H 96 9.304 8.491 0.813 1
1 1065 . 20 1 1 A 96 96 ASP CA C 96 55.920 55.057 0.863 1
1 1066 . 20 1 1 A 96 96 ASP HA H 96 4.030 4.169 -0.139 1
1 1067 . 20 1 1 A 96 96 ASP CB C 96 40.704 39.636 1.068 1
1 1069 . 20 1 1 A 96 96 ASP C C 96 174.657 174.885 -0.228 1
1 1071 . 20 1 1 A 97 97 LYS N N 97 118.806 118.954 -0.148 1
1 1072 . 20 1 1 A 97 97 LYS H H 97 7.482 7.524 -0.042 1
1 1073 . 20 1 1 A 97 97 LYS CA C 97 54.378 55.665 -1.287 1
1 1074 . 20 1 1 A 97 97 LYS HA H 97 4.715 4.742 -0.027 1
1 1075 . 20 1 1 A 97 97 LYS CB C 97 35.127 35.708 -0.581 1
1 1083 . 20 1 1 A 97 97 LYS C C 97 176.499 174.516 1.983 1
1 1088 . 20 1 1 A 98 98 HIS N N 98 124.063 124.959 -0.896 1
1 1089 . 20 1 1 A 98 98 HIS H H 98 8.795 9.067 -0.272 1
1 1090 . 20 1 1 A 98 98 HIS CA C 98 58.870 56.301 2.569 1
1 1091 . 20 1 1 A 98 98 HIS HA H 98 4.496 4.702 -0.206 1
1 1092 . 20 1 1 A 98 98 HIS CB C 98 32.178 30.413 1.765 1
1 1098 . 20 1 1 A 98 98 HIS C C 98 177.720 175.677 2.043 1
1 1100 . 20 1 1 A 99 99 ILE N N 99 120.049 120.394 -0.345 1
1 1101 . 20 1 1 A 99 99 ILE H H 99 8.380 8.664 -0.284 1
1 1102 . 20 1 1 A 99 99 ILE CA C 99 60.674 59.524 1.150 1
1 1103 . 20 1 1 A 99 99 ILE HA H 99 4.696 4.608 0.088 1
1 1104 . 20 1 1 A 99 99 ILE CB C 99 35.539 38.016 -2.477 1
1 1116 . 20 1 1 A 99 99 ILE C C 99 173.419 174.598 -1.179 1
1 1118 . 20 1 1 A 100 100 PRO CA C 100 65.343 63.556 1.787 1
1 1119 . 20 1 1 A 100 100 PRO HA H 100 4.255 4.334 -0.079 1
1 1120 . 20 1 1 A 100 100 PRO CB C 100 31.128 31.084 0.044 1
1 1126 . 20 1 1 A 100 100 PRO C C 100 176.734 177.458 -0.724 1
1 1130 . 20 1 1 A 101 101 GLY N N 101 113.906 113.320 0.586 1
1 1131 . 20 1 1 A 101 101 GLY H H 101 8.167 8.822 -0.655 1
1 1132 . 20 1 1 A 101 101 GLY CA C 101 44.668 45.144 -0.476 1
1 1133 . 20 1 1 A 101 101 GLY HA3 H 101 3.120 4.062 -0.942 1
1 1134 . 20 1 1 A 101 101 GLY C C 101 171.985 174.591 -2.606 1
1 1135 . 20 1 1 A 101 101 GLY HA2 H 101 4.140 3.991 0.149 1
1 1136 . 20 1 1 A 102 102 SER N N 102 112.418 115.887 -3.469 1
1 1137 . 20 1 1 A 102 102 SER H H 102 7.641 7.506 0.135 1
1 1138 . 20 1 1 A 102 102 SER CA C 102 54.770 56.500 -1.730 1
1 1139 . 20 1 1 A 102 102 SER HA H 102 4.107 3.728 0.379 1
1 1140 . 20 1 1 A 102 102 SER CB C 102 62.454 63.652 -1.198 1
1 1142 . 20 1 1 A 102 102 SER C C 102 174.682 173.780 0.902 1
1 1144 . 20 1 1 A 103 103 PRO CA C 103 62.301 62.076 0.225 1
1 1145 . 20 1 1 A 103 103 PRO HA H 103 5.363 4.347 1.016 1
1 1146 . 20 1 1 A 103 103 PRO CB C 103 33.964 32.624 1.340 1
1 1152 . 20 1 1 A 103 103 PRO C C 103 176.438 175.019 1.419 1
1 1156 . 20 1 1 A 104 104 PHE N N 104 126.067 119.211 6.856 1
1 1157 . 20 1 1 A 104 104 PHE H H 104 9.449 7.971 1.478 1
1 1158 . 20 1 1 A 104 104 PHE CA C 104 57.102 56.358 0.744 1
1 1159 . 20 1 1 A 104 104 PHE HA H 104 4.621 5.166 -0.545 1
1 1160 . 20 1 1 A 104 104 PHE CB C 104 40.656 42.536 -1.880 1
1 1170 . 20 1 1 A 104 104 PHE C C 104 176.313 175.052 1.261 1
1 1172 . 20 1 1 A 105 105 THR N N 105 118.402 116.106 2.296 1
1 1173 . 20 1 1 A 105 105 THR H H 105 8.842 8.950 -0.108 1
1 1174 . 20 1 1 A 105 105 THR CA C 105 62.018 61.610 0.408 1
1 1175 . 20 1 1 A 105 105 THR HA H 105 5.153 4.957 0.196 1
1 1176 . 20 1 1 A 105 105 THR CB C 105 70.095 70.481 -0.386 1
1 1182 . 20 1 1 A 105 105 THR C C 105 172.525 173.512 -0.987 1
1 1183 . 20 1 1 A 106 106 ALA N N 106 131.132 130.272 0.860 1
1 1184 . 20 1 1 A 106 106 ALA H H 106 9.192 9.053 0.139 1
1 1185 . 20 1 1 A 106 106 ALA CA C 106 50.187 50.595 -0.408 1
1 1186 . 20 1 1 A 106 106 ALA HA H 106 4.435 5.220 -0.785 1
1 1187 . 20 1 1 A 106 106 ALA CB C 106 21.021 20.709 0.312 1
1 1191 . 20 1 1 A 106 106 ALA C C 106 176.136 176.417 -0.281 1
1 1192 . 20 1 1 A 107 107 LYS N N 107 122.751 122.685 0.066 1
1 1193 . 20 1 1 A 107 107 LYS H H 107 7.746 8.520 -0.774 1
1 1194 . 20 1 1 A 107 107 LYS CA C 107 55.652 55.523 0.129 1
1 1195 . 20 1 1 A 107 107 LYS HA H 107 4.797 4.660 0.137 1
1 1196 . 20 1 1 A 107 107 LYS CB C 107 32.606 32.146 0.460 1
1 1204 . 20 1 1 A 107 107 LYS C C 107 174.648 175.382 -0.734 1
1 1209 . 20 1 1 A 108 108 ILE N N 108 127.629 125.867 1.762 1
1 1210 . 20 1 1 A 108 108 ILE H H 108 9.024 8.871 0.153 1
1 1211 . 20 1 1 A 108 108 ILE CA C 108 56.801 60.608 -3.807 1
1 1212 . 20 1 1 A 108 108 ILE HA H 108 4.688 5.321 -0.633 1
1 1213 . 20 1 1 A 108 108 ILE CB C 108 35.101 39.567 -4.466 1
1 1225 . 20 1 1 A 108 108 ILE C C 108 178.159 175.266 2.893 1
1 1227 . 20 1 1 A 109 109 THR N N 109 121.563 119.833 1.730 1
1 1228 . 20 1 1 A 109 109 THR H H 109 8.861 8.490 0.371 1
1 1229 . 20 1 1 A 109 109 THR CA C 109 60.745 59.756 0.989 1
1 1230 . 20 1 1 A 109 109 THR HA H 109 4.778 4.967 -0.189 1
1 1231 . 20 1 1 A 109 109 THR CB C 109 71.067 71.167 -0.100 1
1 1237 . 20 1 1 A 109 109 THR C C 109 173.421 171.645 1.776 1
1 1238 . 20 1 1 A 110 110 ASP N N 110 119.526 124.445 -4.919 1
1 1239 . 20 1 1 A 110 110 ASP H H 110 8.631 8.809 -0.178 1
1 1240 . 20 1 1 A 110 110 ASP CA C 110 53.971 52.684 1.287 1
1 1241 . 20 1 1 A 110 110 ASP HA H 110 4.729 5.342 -0.613 1
1 1242 . 20 1 1 A 110 110 ASP CB C 110 42.087 44.587 -2.500 1
1 1244 . 20 1 1 A 110 110 ASP C C 110 176.124 174.821 1.303 1
1 1246 . 20 1 1 A 111 111 ASP N N 111 122.287 127.855 -5.568 1
1 1247 . 20 1 1 A 111 111 ASP H H 111 8.638 8.950 -0.312 1
1 1248 . 20 1 1 A 111 111 ASP CA C 111 54.042 52.694 1.348 1
1 1249 . 20 1 1 A 111 111 ASP HA H 111 4.644 4.973 -0.329 1
1 1250 . 20 1 1 A 111 111 ASP CB C 111 41.218 41.432 -0.214 1
1 1252 . 20 1 1 A 111 111 ASP C C 111 176.668 175.469 1.199 1
1 1254 . 20 1 1 A 112 112 SER N N 112 117.157 117.767 -0.610 1
1 1255 . 20 1 1 A 112 112 SER H H 112 8.416 7.939 0.477 1
1 1256 . 20 1 1 A 112 112 SER CA C 112 59.277 57.547 1.730 1
1 1257 . 20 1 1 A 112 112 SER HA H 112 4.348 4.470 -0.122 1
1 1258 . 20 1 1 A 112 112 SER CB C 112 63.943 61.327 2.616 1
1 1260 . 20 1 1 A 112 112 SER C C 112 174.721 174.072 0.649 1
1 1262 . 20 1 1 A 113 113 ARG N N 113 122.178 125.354 -3.176 1
1 1263 . 20 1 1 A 113 113 ARG H H 113 8.238 7.953 0.285 1
1 1264 . 20 1 1 A 113 113 ARG CA C 113 56.195 56.337 -0.142 1
1 1265 . 20 1 1 A 113 113 ARG HA H 113 4.347 4.421 -0.074 1
1 1266 . 20 1 1 A 113 113 ARG CB C 113 30.470 30.037 0.433 1
1 1271 . 20 1 1 A 113 113 ARG C C 113 176.207 175.261 0.946 1
1 1275 . 20 1 1 A 114 114 ARG N N 114 122.696 125.711 -3.015 1
1 1276 . 20 1 1 A 114 114 ARG H H 114 8.338 7.870 0.468 1
1 1277 . 20 1 1 A 114 114 ARG CA C 114 56.164 55.872 0.292 1
1 1278 . 20 1 1 A 114 114 ARG HA H 114 4.390 4.440 -0.050 1
1 1279 . 20 1 1 A 114 114 ARG CB C 114 30.679 32.518 -1.839 1
1 1285 . 20 1 1 A 114 114 ARG C C 114 175.468 175.246 0.222 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 107 1.223 1
2 1 1 1 "RMS(OBS, PRED)" CA 108 1.158 1
3 1 1 1 "RMS(OBS, PRED)" CB 96 1.483 1
4 1 1 1 "RMS(OBS, PRED)" H 98 0.557 1
5 1 1 1 "RMS(OBS, PRED)" HA 120 0.400 1
6 1 1 1 "RMS(OBS, PRED)" N 98 3.145 1
7 1 2 1 "RMS(OBS, PRED)" C 107 1.151 1
8 1 2 1 "RMS(OBS, PRED)" CA 108 1.104 1
9 1 2 1 "RMS(OBS, PRED)" CB 96 1.438 1
10 1 2 1 "RMS(OBS, PRED)" H 98 0.522 1
11 1 2 1 "RMS(OBS, PRED)" HA 120 0.387 1
12 1 2 1 "RMS(OBS, PRED)" N 98 3.047 1
13 1 3 1 "RMS(OBS, PRED)" C 107 1.184 1
14 1 3 1 "RMS(OBS, PRED)" CA 108 1.251 1
15 1 3 1 "RMS(OBS, PRED)" CB 96 1.421 1
16 1 3 1 "RMS(OBS, PRED)" H 98 0.547 1
17 1 3 1 "RMS(OBS, PRED)" HA 120 0.364 1
18 1 3 1 "RMS(OBS, PRED)" N 98 3.235 1
19 1 4 1 "RMS(OBS, PRED)" C 107 1.162 1
20 1 4 1 "RMS(OBS, PRED)" CA 108 1.158 1
21 1 4 1 "RMS(OBS, PRED)" CB 96 1.455 1
22 1 4 1 "RMS(OBS, PRED)" H 98 0.557 1
23 1 4 1 "RMS(OBS, PRED)" HA 120 0.373 1
24 1 4 1 "RMS(OBS, PRED)" N 98 3.100 1
25 1 5 1 "RMS(OBS, PRED)" C 107 1.112 1
26 1 5 1 "RMS(OBS, PRED)" CA 108 1.108 1
27 1 5 1 "RMS(OBS, PRED)" CB 96 1.491 1
28 1 5 1 "RMS(OBS, PRED)" H 98 0.528 1
29 1 5 1 "RMS(OBS, PRED)" HA 120 0.363 1
30 1 5 1 "RMS(OBS, PRED)" N 98 2.948 1
31 1 6 1 "RMS(OBS, PRED)" C 107 1.197 1
32 1 6 1 "RMS(OBS, PRED)" CA 108 1.193 1
33 1 6 1 "RMS(OBS, PRED)" CB 96 1.524 1
34 1 6 1 "RMS(OBS, PRED)" H 98 0.563 1
35 1 6 1 "RMS(OBS, PRED)" HA 120 0.397 1
36 1 6 1 "RMS(OBS, PRED)" N 98 3.099 1
37 1 7 1 "RMS(OBS, PRED)" C 107 1.196 1
38 1 7 1 "RMS(OBS, PRED)" CA 108 1.173 1
39 1 7 1 "RMS(OBS, PRED)" CB 96 1.545 1
40 1 7 1 "RMS(OBS, PRED)" H 98 0.554 1
41 1 7 1 "RMS(OBS, PRED)" HA 120 0.400 1
42 1 7 1 "RMS(OBS, PRED)" N 98 2.766 1
43 1 8 1 "RMS(OBS, PRED)" C 107 1.149 1
44 1 8 1 "RMS(OBS, PRED)" CA 108 1.163 1
45 1 8 1 "RMS(OBS, PRED)" CB 96 1.407 1
46 1 8 1 "RMS(OBS, PRED)" H 98 0.533 1
47 1 8 1 "RMS(OBS, PRED)" HA 120 0.357 1
48 1 8 1 "RMS(OBS, PRED)" N 98 2.957 1
49 1 9 1 "RMS(OBS, PRED)" C 107 1.144 1
50 1 9 1 "RMS(OBS, PRED)" CA 108 1.191 1
51 1 9 1 "RMS(OBS, PRED)" CB 96 1.477 1
52 1 9 1 "RMS(OBS, PRED)" H 98 0.547 1
53 1 9 1 "RMS(OBS, PRED)" HA 120 0.379 1
54 1 9 1 "RMS(OBS, PRED)" N 98 2.977 1
55 1 10 1 "RMS(OBS, PRED)" C 107 1.125 1
56 1 10 1 "RMS(OBS, PRED)" CA 108 1.194 1
57 1 10 1 "RMS(OBS, PRED)" CB 96 1.493 1
58 1 10 1 "RMS(OBS, PRED)" H 98 0.542 1
59 1 10 1 "RMS(OBS, PRED)" HA 120 0.411 1
60 1 10 1 "RMS(OBS, PRED)" N 98 3.036 1
61 1 11 1 "RMS(OBS, PRED)" C 107 1.185 1
62 1 11 1 "RMS(OBS, PRED)" CA 108 1.222 1
63 1 11 1 "RMS(OBS, PRED)" CB 96 1.431 1
64 1 11 1 "RMS(OBS, PRED)" H 98 0.588 1
65 1 11 1 "RMS(OBS, PRED)" HA 120 0.395 1
66 1 11 1 "RMS(OBS, PRED)" N 98 2.859 1
67 1 12 1 "RMS(OBS, PRED)" C 107 1.156 1
68 1 12 1 "RMS(OBS, PRED)" CA 108 1.141 1
69 1 12 1 "RMS(OBS, PRED)" CB 96 1.364 1
70 1 12 1 "RMS(OBS, PRED)" H 98 0.551 1
71 1 12 1 "RMS(OBS, PRED)" HA 120 0.376 1
72 1 12 1 "RMS(OBS, PRED)" N 98 2.924 1
73 1 13 1 "RMS(OBS, PRED)" C 107 1.176 1
74 1 13 1 "RMS(OBS, PRED)" CA 108 1.283 1
75 1 13 1 "RMS(OBS, PRED)" CB 96 1.548 1
76 1 13 1 "RMS(OBS, PRED)" H 98 0.538 1
77 1 13 1 "RMS(OBS, PRED)" HA 120 0.393 1
78 1 13 1 "RMS(OBS, PRED)" N 98 3.025 1
79 1 14 1 "RMS(OBS, PRED)" C 107 1.198 1
80 1 14 1 "RMS(OBS, PRED)" CA 108 1.189 1
81 1 14 1 "RMS(OBS, PRED)" CB 96 1.607 1
82 1 14 1 "RMS(OBS, PRED)" H 98 0.551 1
83 1 14 1 "RMS(OBS, PRED)" HA 120 0.380 1
84 1 14 1 "RMS(OBS, PRED)" N 98 3.056 1
85 1 15 1 "RMS(OBS, PRED)" C 107 1.195 1
86 1 15 1 "RMS(OBS, PRED)" CA 108 1.131 1
87 1 15 1 "RMS(OBS, PRED)" CB 96 1.509 1
88 1 15 1 "RMS(OBS, PRED)" H 98 0.569 1
89 1 15 1 "RMS(OBS, PRED)" HA 120 0.408 1
90 1 15 1 "RMS(OBS, PRED)" N 98 2.867 1
91 1 16 1 "RMS(OBS, PRED)" C 107 1.221 1
92 1 16 1 "RMS(OBS, PRED)" CA 108 1.225 1
93 1 16 1 "RMS(OBS, PRED)" CB 96 1.525 1
94 1 16 1 "RMS(OBS, PRED)" H 98 0.595 1
95 1 16 1 "RMS(OBS, PRED)" HA 120 0.419 1
96 1 16 1 "RMS(OBS, PRED)" N 98 3.019 1
97 1 17 1 "RMS(OBS, PRED)" C 107 1.166 1
98 1 17 1 "RMS(OBS, PRED)" CA 108 1.125 1
99 1 17 1 "RMS(OBS, PRED)" CB 96 1.531 1
100 1 17 1 "RMS(OBS, PRED)" H 98 0.517 1
101 1 17 1 "RMS(OBS, PRED)" HA 120 0.392 1
102 1 17 1 "RMS(OBS, PRED)" N 98 2.824 1
103 1 18 1 "RMS(OBS, PRED)" C 107 1.121 1
104 1 18 1 "RMS(OBS, PRED)" CA 108 1.248 1
105 1 18 1 "RMS(OBS, PRED)" CB 96 1.523 1
106 1 18 1 "RMS(OBS, PRED)" H 98 0.536 1
107 1 18 1 "RMS(OBS, PRED)" HA 120 0.402 1
108 1 18 1 "RMS(OBS, PRED)" N 98 2.953 1
109 1 19 1 "RMS(OBS, PRED)" C 107 1.187 1
110 1 19 1 "RMS(OBS, PRED)" CA 108 1.171 1
111 1 19 1 "RMS(OBS, PRED)" CB 96 1.642 1
112 1 19 1 "RMS(OBS, PRED)" H 98 0.581 1
113 1 19 1 "RMS(OBS, PRED)" HA 120 0.406 1
114 1 19 1 "RMS(OBS, PRED)" N 98 2.853 1
115 1 20 1 "RMS(OBS, PRED)" C 107 1.073 1
116 1 20 1 "RMS(OBS, PRED)" CA 108 1.134 1
117 1 20 1 "RMS(OBS, PRED)" CB 96 1.500 1
118 1 20 1 "RMS(OBS, PRED)" H 98 0.549 1
119 1 20 1 "RMS(OBS, PRED)" HA 120 0.385 1
120 1 20 1 "RMS(OBS, PRED)" N 98 3.027 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 7 7 GLY CA C 7 44.699 45.578 -0.879 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.124 4.220 -0.096 2
1 3 . 1 1 A 7 7 GLY HA2 H 7 4.124 4.218 -0.094 2
1 4 . 1 1 A 8 8 PRO CA C 8 63.321 62.823 0.498 2
1 5 . 1 1 A 8 8 PRO HA H 8 4.418 4.629 -0.211 2
1 6 . 1 1 A 8 8 PRO CB C 8 32.104 32.365 -0.261 2
1 12 . 1 1 A 8 8 PRO C C 8 177.159 175.915 1.244 2
1 16 . 1 1 A 9 9 GLU N N 9 120.837 120.824 0.013 2
1 17 . 1 1 A 9 9 GLU H H 9 8.612 8.567 0.045 2
1 18 . 1 1 A 9 9 GLU CA C 9 56.642 55.780 0.862 2
1 19 . 1 1 A 9 9 GLU HA H 9 4.282 4.673 -0.391 2
1 20 . 1 1 A 9 9 GLU CB C 9 30.181 31.612 -1.431 2
1 24 . 1 1 A 9 9 GLU C C 9 176.387 175.168 1.218 2
1 27 . 1 1 A 10 10 SER N N 10 117.776 118.599 -0.823 2
1 28 . 1 1 A 10 10 SER H H 10 8.264 8.624 -0.360 2
1 29 . 1 1 A 10 10 SER CA C 10 56.382 55.839 0.543 2
1 30 . 1 1 A 10 10 SER HA H 10 4.763 4.956 -0.193 2
1 31 . 1 1 A 10 10 SER CB C 10 63.575 64.553 -0.978 2
1 33 . 1 1 A 10 10 SER C C 10 172.958 172.355 0.603 2
1 35 . 1 1 A 11 11 PRO CA C 11 63.404 62.563 0.840 2
1 36 . 1 1 A 11 11 PRO HA H 11 4.432 4.664 -0.232 2
1 37 . 1 1 A 11 11 PRO CB C 11 31.958 32.206 -0.248 2
1 43 . 1 1 A 11 11 PRO C C 11 176.922 175.905 1.017 2
1 47 . 1 1 A 12 12 LEU N N 12 121.245 121.450 -0.205 2
1 48 . 1 1 A 12 12 LEU H H 12 8.172 8.433 -0.261 2
1 49 . 1 1 A 12 12 LEU CA C 12 55.521 53.588 1.933 2
1 50 . 1 1 A 12 12 LEU HA H 12 4.236 4.720 -0.484 2
1 51 . 1 1 A 12 12 LEU CB C 12 42.138 44.248 -2.110 2
1 63 . 1 1 A 12 12 LEU C C 12 177.236 175.763 1.473 2
1 65 . 1 1 A 13 13 GLN N N 13 120.086 120.872 -0.786 2
1 66 . 1 1 A 13 13 GLN H H 13 8.098 8.398 -0.300 2
1 67 . 1 1 A 13 13 GLN CA C 13 55.785 55.194 0.591 2
1 68 . 1 1 A 13 13 GLN HA H 13 4.220 4.546 -0.326 2
1 69 . 1 1 A 13 13 GLN CB C 13 29.628 30.280 -0.652 2
1 76 . 1 1 A 13 13 GLN C C 13 175.243 174.752 0.491 2
1 79 . 1 1 A 14 14 PHE N N 14 120.461 121.104 -0.643 2
1 80 . 1 1 A 14 14 PHE H H 14 8.056 8.558 -0.502 2
1 81 . 1 1 A 14 14 PHE CA C 14 57.739 56.769 0.970 2
1 82 . 1 1 A 14 14 PHE HA H 14 4.545 4.944 -0.399 2
1 83 . 1 1 A 14 14 PHE CB C 14 39.825 41.577 -1.752 2
1 95 . 1 1 A 14 14 PHE C C 14 175.022 174.380 0.642 2
1 97 . 1 1 A 15 15 TYR N N 15 121.213 122.275 -1.062 2
1 98 . 1 1 A 15 15 TYR H H 15 8.004 8.819 -0.815 2
1 99 . 1 1 A 15 15 TYR CA C 15 57.756 57.564 0.192 2
1 100 . 1 1 A 15 15 TYR HA H 15 4.506 4.819 -0.313 2
1 101 . 1 1 A 15 15 TYR CB C 15 39.012 39.487 -0.475 2
1 111 . 1 1 A 15 15 TYR C C 15 175.174 174.935 0.239 2
1 113 . 1 1 A 16 16 VAL N N 16 121.693 121.022 0.671 2
1 114 . 1 1 A 16 16 VAL H H 16 7.900 8.499 -0.599 2
1 115 . 1 1 A 16 16 VAL CA C 16 62.248 61.119 1.129 2
1 116 . 1 1 A 16 16 VAL HA H 16 3.932 4.447 -0.515 2
1 117 . 1 1 A 16 16 VAL CB C 16 33.023 33.304 -0.281 2
1 127 . 1 1 A 16 16 VAL C C 16 175.016 174.936 0.080 2
1 128 . 1 1 A 17 17 ASN N N 17 121.488 123.880 -2.392 2
1 129 . 1 1 A 17 17 ASN H H 17 8.198 8.632 -0.434 2
1 130 . 1 1 A 17 17 ASN CA C 17 52.948 52.139 0.809 2
1 131 . 1 1 A 17 17 ASN HA H 17 4.630 5.131 -0.501 2
1 132 . 1 1 A 17 17 ASN CB C 17 39.289 41.028 -1.739 2
1 137 . 1 1 A 17 17 ASN C C 17 174.167 173.658 0.509 2
1 139 . 1 1 A 18 18 TYR N N 18 122.069 120.390 1.679 2
1 140 . 1 1 A 18 18 TYR H H 18 8.117 8.467 -0.350 2
1 141 . 1 1 A 18 18 TYR CA C 18 55.970 55.894 0.076 2
1 142 . 1 1 A 18 18 TYR HA H 18 4.771 4.967 -0.196 2
1 143 . 1 1 A 18 18 TYR CB C 18 38.260 40.702 -2.442 2
1 153 . 1 1 A 18 18 TYR C C 18 173.978 174.195 -0.216 2
1 155 . 1 1 A 19 19 PRO CA C 19 63.378 63.400 -0.022 2
1 156 . 1 1 A 19 19 PRO HA H 19 4.414 4.592 -0.178 2
1 157 . 1 1 A 19 19 PRO CB C 19 32.018 32.329 -0.311 2
1 163 . 1 1 A 19 19 PRO C C 19 176.659 176.410 0.249 2
1 167 . 1 1 A 20 20 ASN N N 20 118.582 118.276 0.306 2
1 168 . 1 1 A 20 20 ASN H H 20 8.508 8.413 0.095 2
1 169 . 1 1 A 20 20 ASN CA C 20 53.334 53.090 0.244 2
1 170 . 1 1 A 20 20 ASN HA H 20 4.756 5.014 -0.258 2
1 171 . 1 1 A 20 20 ASN CB C 20 38.964 40.310 -1.346 2
1 176 . 1 1 A 20 20 ASN C C 20 175.301 174.786 0.515 2
1 178 . 1 1 A 21 21 SER N N 21 115.989 116.752 -0.763 2
1 179 . 1 1 A 21 21 SER H H 21 8.360 8.660 -0.300 2
1 180 . 1 1 A 21 21 SER CA C 21 58.877 57.816 1.060 2
1 181 . 1 1 A 21 21 SER HA H 21 4.481 4.826 -0.345 2
1 182 . 1 1 A 21 21 SER CB C 21 63.988 64.764 -0.776 2
1 184 . 1 1 A 21 21 SER C C 21 175.006 173.866 1.140 2
1 186 . 1 1 A 22 22 GLY N N 22 110.974 110.425 0.549 2
1 187 . 1 1 A 22 22 GLY H H 22 8.523 8.465 0.058 2
1 188 . 1 1 A 22 22 GLY CA C 22 45.429 45.675 -0.246 2
1 189 . 1 1 A 22 22 GLY HA3 H 22 4.074 4.133 -0.059 2
1 190 . 1 1 A 22 22 GLY C C 22 173.860 172.512 1.348 2
1 191 . 1 1 A 22 22 GLY HA2 H 22 4.074 4.127 -0.053 2
1 192 . 1 1 A 23 23 SER N N 23 115.179 116.831 -1.652 2
1 193 . 1 1 A 23 23 SER H H 23 8.190 8.561 -0.371 2
1 194 . 1 1 A 23 23 SER CA C 23 58.233 57.121 1.112 2
1 195 . 1 1 A 23 23 SER HA H 23 4.511 5.144 -0.633 2
1 196 . 1 1 A 23 23 SER CB C 23 64.511 66.375 -1.864 2
1 198 . 1 1 A 23 23 SER C C 23 173.263 172.766 0.497 2
1 200 . 1 1 A 24 24 VAL N N 24 122.289 122.214 0.075 2
1 201 . 1 1 A 24 24 VAL H H 24 7.889 8.593 -0.704 2
1 202 . 1 1 A 24 24 VAL CA C 24 61.754 61.142 0.612 2
1 203 . 1 1 A 24 24 VAL HA H 24 4.567 4.737 -0.170 2
1 204 . 1 1 A 24 24 VAL CB C 24 33.612 33.227 0.385 2
1 214 . 1 1 A 24 24 VAL C C 24 174.799 174.991 -0.192 2
1 215 . 1 1 A 25 25 SER N N 25 118.995 122.984 -3.989 2
1 216 . 1 1 A 25 25 SER H H 25 8.244 8.883 -0.639 2
1 217 . 1 1 A 25 25 SER CA C 25 57.102 57.281 -0.179 2
1 218 . 1 1 A 25 25 SER HA H 25 5.039 5.358 -0.319 2
1 219 . 1 1 A 25 25 SER CB C 25 66.338 66.264 0.074 2
1 221 . 1 1 A 25 25 SER C C 25 171.718 173.101 -1.383 2
1 223 . 1 1 A 26 26 ALA N N 26 121.537 125.931 -4.394 2
1 224 . 1 1 A 26 26 ALA H H 26 8.503 8.951 -0.448 2
1 225 . 1 1 A 26 26 ALA CA C 26 50.695 50.498 0.197 2
1 226 . 1 1 A 26 26 ALA HA H 26 5.637 5.367 0.270 2
1 227 . 1 1 A 26 26 ALA CB C 26 23.364 22.060 1.304 2
1 231 . 1 1 A 26 26 ALA C C 26 175.355 175.816 -0.461 2
1 232 . 1 1 A 27 27 TYR N N 27 116.588 118.058 -1.470 2
1 233 . 1 1 A 27 27 TYR H H 27 8.885 8.619 0.266 2
1 234 . 1 1 A 27 27 TYR CA C 27 57.013 55.691 1.321 2
1 235 . 1 1 A 27 27 TYR HA H 27 4.742 5.258 -0.516 2
1 236 . 1 1 A 27 27 TYR CB C 27 40.325 41.688 -1.363 2
1 246 . 1 1 A 27 27 TYR C C 27 172.990 173.913 -0.923 2
1 248 . 1 1 A 28 28 GLY N N 28 108.423 106.800 1.623 2
1 249 . 1 1 A 28 28 GLY H H 28 8.475 8.421 0.054 2
1 250 . 1 1 A 28 28 GLY CA C 28 44.439 44.951 -0.512 2
1 251 . 1 1 A 28 28 GLY HA3 H 28 4.141 4.201 -0.060 2
1 252 . 1 1 A 28 28 GLY C C 28 173.419 173.990 -0.571 2
1 253 . 1 1 A 28 28 GLY HA2 H 28 5.092 4.179 0.913 2
1 254 . 1 1 A 29 29 PRO CA C 29 65.537 63.882 1.655 2
1 255 . 1 1 A 29 29 PRO HA H 29 4.298 4.178 0.120 2
1 256 . 1 1 A 29 29 PRO CB C 29 31.509 31.718 -0.209 2
1 262 . 1 1 A 29 29 PRO C C 29 178.493 177.356 1.137 2
1 266 . 1 1 A 30 30 GLY N N 30 102.459 106.796 -4.337 2
1 267 . 1 1 A 30 30 GLY H H 30 8.655 8.359 0.296 2
1 268 . 1 1 A 30 30 GLY CA C 30 46.245 46.055 0.190 2
1 269 . 1 1 A 30 30 GLY HA3 H 30 3.417 4.085 -0.668 2
1 270 . 1 1 A 30 30 GLY C C 30 172.945 175.137 -2.192 2
1 271 . 1 1 A 30 30 GLY HA2 H 30 4.316 3.975 0.341 2
1 272 . 1 1 A 31 31 LEU N N 31 116.436 121.682 -5.246 2
1 273 . 1 1 A 31 31 LEU H H 31 7.049 7.470 -0.421 2
1 274 . 1 1 A 31 31 LEU CA C 31 55.368 56.979 -1.611 2
1 275 . 1 1 A 31 31 LEU HA H 31 3.784 4.034 -0.250 2
1 276 . 1 1 A 31 31 LEU CB C 31 42.148 41.926 0.222 2
1 288 . 1 1 A 31 31 LEU C C 31 175.321 178.786 -3.465 2
1 290 . 1 1 A 32 32 VAL N N 32 112.078 117.271 -5.193 2
1 291 . 1 1 A 32 32 VAL H H 32 7.739 6.976 0.763 2
1 292 . 1 1 A 32 32 VAL CA C 32 62.956 64.962 -2.006 2
1 293 . 1 1 A 32 32 VAL HA H 32 4.574 3.675 0.899 2
1 294 . 1 1 A 32 32 VAL CB C 32 35.415 31.626 3.789 2
1 304 . 1 1 A 32 32 VAL C C 32 176.810 175.783 1.027 2
1 305 . 1 1 A 33 33 TYR N N 33 121.116 115.795 5.321 2
1 306 . 1 1 A 33 33 TYR H H 33 8.638 7.355 1.283 2
1 307 . 1 1 A 33 33 TYR CA C 33 56.523 55.966 0.557 2
1 308 . 1 1 A 33 33 TYR HA H 33 5.639 4.967 0.672 2
1 309 . 1 1 A 33 33 TYR CB C 33 42.165 40.898 1.267 2
1 319 . 1 1 A 33 33 TYR C C 33 172.858 173.807 -0.949 2
1 321 . 1 1 A 34 34 GLY N N 34 107.313 106.830 0.483 2
1 322 . 1 1 A 34 34 GLY H H 34 7.637 8.489 -0.852 2
1 323 . 1 1 A 34 34 GLY CA C 34 44.721 45.788 -1.067 2
1 324 . 1 1 A 34 34 GLY HA3 H 34 3.793 4.462 -0.669 2
1 325 . 1 1 A 34 34 GLY C C 34 170.727 171.764 -1.037 2
1 326 . 1 1 A 34 34 GLY HA2 H 34 3.873 4.420 -0.547 2
1 327 . 1 1 A 35 35 VAL N N 35 120.853 119.863 0.990 2
1 328 . 1 1 A 35 35 VAL H H 35 8.731 8.376 0.355 2
1 329 . 1 1 A 35 35 VAL CA C 35 60.627 60.510 0.117 2
1 330 . 1 1 A 35 35 VAL HA H 35 4.589 4.850 -0.261 2
1 331 . 1 1 A 35 35 VAL CB C 35 35.374 35.484 -0.110 2
1 341 . 1 1 A 35 35 VAL C C 35 174.813 175.066 -0.253 2
1 342 . 1 1 A 36 36 ALA N N 36 127.708 129.961 -2.253 2
1 343 . 1 1 A 36 36 ALA H H 36 8.482 8.552 -0.070 2
1 344 . 1 1 A 36 36 ALA CA C 36 53.332 53.336 -0.004 2
1 345 . 1 1 A 36 36 ALA HA H 36 3.535 4.096 -0.561 2
1 346 . 1 1 A 36 36 ALA CB C 36 17.653 18.640 -0.987 2
1 350 . 1 1 A 36 36 ALA C C 36 176.968 178.166 -1.198 2
1 351 . 1 1 A 37 37 ASN N N 37 111.234 116.724 -5.490 2
1 352 . 1 1 A 37 37 ASN H H 37 9.147 8.894 0.253 2
1 353 . 1 1 A 37 37 ASN CA C 37 55.728 54.352 1.376 2
1 354 . 1 1 A 37 37 ASN HA H 37 3.962 4.297 -0.335 2
1 355 . 1 1 A 37 37 ASN CB C 37 37.147 37.164 -0.017 2
1 360 . 1 1 A 37 37 ASN C C 37 173.119 173.794 -0.675 2
1 362 . 1 1 A 38 38 LYS N N 38 119.100 117.537 1.562 2
1 363 . 1 1 A 38 38 LYS H H 38 7.972 7.388 0.584 2
1 364 . 1 1 A 38 38 LYS CA C 38 54.306 54.786 -0.480 2
1 365 . 1 1 A 38 38 LYS HA H 38 4.606 4.786 -0.180 2
1 366 . 1 1 A 38 38 LYS CB C 38 34.799 35.860 -1.061 2
1 374 . 1 1 A 38 38 LYS C C 38 175.533 175.440 0.093 2
1 379 . 1 1 A 39 39 THR N N 39 114.730 115.966 -1.236 2
1 380 . 1 1 A 39 39 THR H H 39 8.158 8.534 -0.376 2
1 381 . 1 1 A 39 39 THR CA C 39 63.302 62.083 1.219 2
1 382 . 1 1 A 39 39 THR HA H 39 4.138 4.249 -0.111 2
1 383 . 1 1 A 39 39 THR CB C 39 69.652 69.500 0.152 2
1 389 . 1 1 A 39 39 THR C C 39 174.281 174.075 0.206 2
1 390 . 1 1 A 40 40 ALA N N 40 129.891 125.343 4.549 2
1 391 . 1 1 A 40 40 ALA H H 40 8.750 8.253 0.497 2
1 392 . 1 1 A 40 40 ALA CA C 40 50.399 51.376 -0.977 2
1 393 . 1 1 A 40 40 ALA HA H 40 4.702 4.958 -0.256 2
1 394 . 1 1 A 40 40 ALA CB C 40 20.495 20.971 -0.476 2
1 398 . 1 1 A 40 40 ALA C C 40 176.039 175.496 0.543 2
1 399 . 1 1 A 41 41 THR N N 41 112.902 117.416 -4.514 2
1 400 . 1 1 A 41 41 THR H H 41 8.536 8.839 -0.303 2
1 401 . 1 1 A 41 41 THR CA C 41 59.688 60.204 -0.516 2
1 402 . 1 1 A 41 41 THR HA H 41 5.779 5.295 0.484 2
1 403 . 1 1 A 41 41 THR CB C 41 72.348 71.619 0.729 2
1 409 . 1 1 A 41 41 THR C C 41 173.286 173.136 0.150 2
1 410 . 1 1 A 42 42 PHE N N 42 119.525 120.210 -0.685 2
1 411 . 1 1 A 42 42 PHE H H 42 8.825 8.210 0.615 2
1 412 . 1 1 A 42 42 PHE CA C 42 57.031 55.339 1.692 2
1 413 . 1 1 A 42 42 PHE HA H 42 5.013 5.451 -0.438 2
1 414 . 1 1 A 42 42 PHE CB C 42 40.155 41.971 -1.816 2
1 426 . 1 1 A 42 42 PHE C C 42 171.282 172.755 -1.473 2
1 428 . 1 1 A 43 43 THR N N 43 117.427 114.600 2.827 2
1 429 . 1 1 A 43 43 THR H H 43 9.210 8.401 0.809 2
1 430 . 1 1 A 43 43 THR CA C 43 62.250 61.085 1.165 2
1 431 . 1 1 A 43 43 THR HA H 43 4.987 4.950 0.037 2
1 432 . 1 1 A 43 43 THR CB C 43 71.510 70.843 0.667 2
1 438 . 1 1 A 43 43 THR C C 43 173.061 173.381 -0.320 2
1 439 . 1 1 A 44 44 ILE N N 44 123.638 125.628 -1.990 2
1 440 . 1 1 A 44 44 ILE H H 44 8.859 8.627 0.233 2
1 441 . 1 1 A 44 44 ILE CA C 44 59.843 59.860 -0.017 2
1 442 . 1 1 A 44 44 ILE HA H 44 4.824 4.762 0.062 2
1 443 . 1 1 A 44 44 ILE CB C 44 40.866 40.914 -0.048 2
1 455 . 1 1 A 44 44 ILE C C 44 174.707 175.161 -0.454 2
1 457 . 1 1 A 45 45 VAL N N 45 128.904 128.096 0.808 2
1 458 . 1 1 A 45 45 VAL H H 45 9.299 8.752 0.547 2
1 459 . 1 1 A 45 45 VAL CA C 45 62.119 62.584 -0.465 2
1 460 . 1 1 A 45 45 VAL HA H 45 4.492 4.302 0.190 2
1 461 . 1 1 A 45 45 VAL CB C 45 32.683 31.399 1.284 2
1 471 . 1 1 A 45 45 VAL C C 45 175.606 175.563 0.043 2
1 472 . 1 1 A 46 46 THR N N 46 117.412 121.070 -3.658 2
1 473 . 1 1 A 46 46 THR H H 46 8.434 8.677 -0.243 2
1 474 . 1 1 A 46 46 THR CA C 46 60.650 61.369 -0.719 2
1 475 . 1 1 A 46 46 THR HA H 46 4.505 4.643 -0.138 2
1 476 . 1 1 A 46 46 THR CB C 46 69.432 68.978 0.454 2
1 482 . 1 1 A 46 46 THR C C 46 174.882 173.809 1.073 2
1 483 . 1 1 A 47 47 GLU N N 47 122.657 124.320 -1.663 2
1 484 . 1 1 A 47 47 GLU H H 47 8.052 8.426 -0.374 2
1 485 . 1 1 A 47 47 GLU CA C 47 57.419 56.618 0.801 2
1 486 . 1 1 A 47 47 GLU HA H 47 4.231 4.466 -0.235 2
1 487 . 1 1 A 47 47 GLU CB C 47 30.281 30.416 -0.135 2
1 491 . 1 1 A 47 47 GLU C C 47 175.887 176.409 -0.522 2
1 494 . 1 1 A 48 48 ASP N N 48 120.269 120.434 -0.165 2
1 495 . 1 1 A 48 48 ASP H H 48 8.536 8.578 -0.042 2
1 496 . 1 1 A 48 48 ASP CA C 48 54.396 54.368 0.028 2
1 497 . 1 1 A 48 48 ASP HA H 48 4.638 4.541 0.097 2
1 498 . 1 1 A 48 48 ASP CB C 48 40.979 40.215 0.764 2
1 500 . 1 1 A 48 48 ASP C C 48 175.709 176.237 -0.528 2
1 502 . 1 1 A 49 49 ALA N N 49 122.506 121.566 0.940 2
1 503 . 1 1 A 49 49 ALA H H 49 8.109 8.040 0.069 2
1 504 . 1 1 A 49 49 ALA CA C 49 52.774 52.723 0.051 2
1 505 . 1 1 A 49 49 ALA HA H 49 4.195 4.311 -0.116 2
1 506 . 1 1 A 49 49 ALA CB C 49 19.343 19.704 -0.361 2
1 510 . 1 1 A 49 49 ALA C C 49 178.316 177.816 0.500 2
1 511 . 1 1 A 50 50 GLY N N 50 107.563 105.495 2.068 2
1 512 . 1 1 A 50 50 GLY H H 50 8.269 7.920 0.349 2
1 513 . 1 1 A 50 50 GLY CA C 50 45.288 45.262 0.026 2
1 514 . 1 1 A 50 50 GLY HA3 H 50 3.993 4.096 -0.103 2
1 515 . 1 1 A 50 50 GLY C C 50 174.421 173.152 1.269 2
1 516 . 1 1 A 50 50 GLY HA2 H 50 3.993 4.064 -0.071 2
1 517 . 1 1 A 51 51 GLU N N 51 121.358 120.464 0.894 2
1 518 . 1 1 A 51 51 GLU H H 51 8.519 8.487 0.032 2
1 519 . 1 1 A 51 51 GLU CA C 51 56.890 55.515 1.375 2
1 520 . 1 1 A 51 51 GLU HA H 51 4.309 4.640 -0.331 2
1 521 . 1 1 A 51 51 GLU CB C 51 30.204 30.058 0.146 2
1 525 . 1 1 A 51 51 GLU C C 51 177.003 176.044 0.959 2
1 528 . 1 1 A 52 52 GLY N N 52 109.575 111.698 -2.123 2
1 529 . 1 1 A 52 52 GLY H H 52 8.349 8.365 -0.016 2
1 530 . 1 1 A 52 52 GLY CA C 52 45.571 46.024 -0.453 2
1 531 . 1 1 A 52 52 GLY HA3 H 52 3.895 4.011 -0.116 2
1 532 . 1 1 A 52 52 GLY C C 52 173.666 174.145 -0.479 2
1 533 . 1 1 A 52 52 GLY HA2 H 52 3.810 3.979 -0.169 2
1 534 . 1 1 A 53 53 GLY N N 53 106.657 106.585 0.072 2
1 535 . 1 1 A 53 53 GLY H H 53 7.893 7.594 0.299 2
1 536 . 1 1 A 53 53 GLY CA C 53 45.199 45.535 -0.336 2
1 537 . 1 1 A 53 53 GLY HA3 H 53 3.613 4.093 -0.480 2
1 538 . 1 1 A 53 53 GLY C C 53 173.414 172.571 0.843 2
1 539 . 1 1 A 53 53 GLY HA2 H 53 4.036 4.054 -0.018 2
1 540 . 1 1 A 54 54 LEU N N 54 124.121 125.351 -1.230 2
1 541 . 1 1 A 54 54 LEU H H 54 8.241 8.584 -0.343 2
1 542 . 1 1 A 54 54 LEU CA C 54 54.528 54.031 0.497 2
1 543 . 1 1 A 54 54 LEU HA H 54 5.056 4.881 0.175 2
1 544 . 1 1 A 54 54 LEU CB C 54 44.325 44.020 0.305 2
1 556 . 1 1 A 54 54 LEU C C 54 176.080 174.556 1.524 2
1 558 . 1 1 A 55 55 ASP N N 55 126.024 126.520 -0.496 2
1 559 . 1 1 A 55 55 ASP H H 55 8.981 8.877 0.104 2
1 560 . 1 1 A 55 55 ASP CA C 55 54.095 52.861 1.234 2
1 561 . 1 1 A 55 55 ASP HA H 55 4.879 5.323 -0.444 2
1 562 . 1 1 A 55 55 ASP CB C 55 44.582 44.073 0.509 2
1 564 . 1 1 A 55 55 ASP C C 55 173.601 174.587 -0.986 2
1 566 . 1 1 A 56 56 LEU N N 56 125.098 124.941 0.157 2
1 567 . 1 1 A 56 56 LEU H H 56 8.300 8.990 -0.690 2
1 568 . 1 1 A 56 56 LEU CA C 56 53.221 53.641 -0.420 2
1 569 . 1 1 A 56 56 LEU HA H 56 5.422 5.212 0.210 2
1 570 . 1 1 A 56 56 LEU CB C 56 46.028 45.660 0.368 2
1 582 . 1 1 A 56 56 LEU C C 56 175.700 175.146 0.554 2
1 584 . 1 1 A 57 57 ALA N N 57 125.664 124.835 0.829 2
1 585 . 1 1 A 57 57 ALA H H 57 8.840 8.621 0.219 2
1 586 . 1 1 A 57 57 ALA CA C 57 51.851 51.421 0.430 2
1 587 . 1 1 A 57 57 ALA HA H 57 4.600 5.054 -0.454 2
1 588 . 1 1 A 57 57 ALA CB C 57 22.862 22.576 0.286 2
1 592 . 1 1 A 57 57 ALA C C 57 174.504 175.709 -1.205 2
1 593 . 1 1 A 58 58 ILE N N 58 119.429 122.090 -2.661 2
1 594 . 1 1 A 58 58 ILE H H 58 8.617 8.743 -0.126 2
1 595 . 1 1 A 58 58 ILE CA C 58 60.143 59.699 0.444 2
1 596 . 1 1 A 58 58 ILE HA H 58 5.272 4.956 0.316 2
1 597 . 1 1 A 58 58 ILE CB C 58 41.068 40.899 0.169 2
1 609 . 1 1 A 58 58 ILE C C 58 175.328 174.943 0.385 2
1 611 . 1 1 A 59 59 GLU N N 59 128.665 123.866 4.799 2
1 612 . 1 1 A 59 59 GLU H H 59 9.315 8.845 0.469 2
1 613 . 1 1 A 59 59 GLU CA C 59 54.166 54.853 -0.687 2
1 614 . 1 1 A 59 59 GLU HA H 59 4.920 5.166 -0.246 2
1 615 . 1 1 A 59 59 GLU CB C 59 32.698 33.299 -0.601 2
1 619 . 1 1 A 59 59 GLU C C 59 175.108 175.663 -0.555 2
1 622 . 1 1 A 60 60 GLY N N 60 110.929 108.839 2.090 2
1 623 . 1 1 A 60 60 GLY H H 60 8.427 8.353 0.074 2
1 624 . 1 1 A 60 60 GLY CA C 60 45.608 44.869 0.739 2
1 625 . 1 1 A 60 60 GLY HA3 H 60 3.927 4.119 -0.192 2
1 626 . 1 1 A 60 60 GLY C C 60 171.379 174.066 -2.687 2
1 627 . 1 1 A 60 60 GLY HA2 H 60 3.531 3.970 -0.439 2
1 628 . 1 1 A 61 61 PRO CA C 61 64.103 63.946 0.157 2
1 629 . 1 1 A 61 61 PRO HA H 61 4.270 4.423 -0.153 2
1 630 . 1 1 A 61 61 PRO CB C 61 32.206 31.909 0.297 2
1 636 . 1 1 A 61 61 PRO C C 61 176.075 176.014 0.061 2
1 640 . 1 1 A 62 62 SER N N 62 108.474 112.225 -3.751 2
1 641 . 1 1 A 62 62 SER H H 62 7.099 7.556 -0.457 2
1 642 . 1 1 A 62 62 SER CA C 62 56.398 57.080 -0.682 2
1 643 . 1 1 A 62 62 SER HA H 62 4.655 4.751 -0.096 2
1 644 . 1 1 A 62 62 SER CB C 62 67.457 65.561 1.896 2
1 646 . 1 1 A 62 62 SER C C 62 172.805 172.482 0.323 2
1 648 . 1 1 A 63 63 LYS N N 63 122.679 124.724 -2.045 2
1 649 . 1 1 A 63 63 LYS H H 63 8.653 8.452 0.201 2
1 650 . 1 1 A 63 63 LYS CA C 63 55.822 56.210 -0.388 2
1 651 . 1 1 A 63 63 LYS HA H 63 4.449 4.640 -0.191 2
1 652 . 1 1 A 63 63 LYS CB C 63 31.384 33.404 -2.019 2
1 660 . 1 1 A 63 63 LYS C C 63 175.601 175.388 0.213 2
1 665 . 1 1 A 64 64 ALA N N 64 130.710 128.542 2.168 2
1 666 . 1 1 A 64 64 ALA H H 64 8.690 8.741 -0.051 2
1 667 . 1 1 A 64 64 ALA CA C 64 51.425 50.524 0.901 2
1 668 . 1 1 A 64 64 ALA HA H 64 4.578 5.166 -0.588 2
1 669 . 1 1 A 64 64 ALA CB C 64 19.803 21.794 -1.990 2
1 673 . 1 1 A 64 64 ALA C C 64 176.395 176.727 -0.332 2
1 674 . 1 1 A 65 65 GLU N N 65 123.534 121.433 2.101 2
1 675 . 1 1 A 65 65 GLU H H 65 8.397 8.652 -0.255 2
1 676 . 1 1 A 65 65 GLU CA C 65 56.854 56.660 0.194 2
1 677 . 1 1 A 65 65 GLU HA H 65 4.278 4.480 -0.202 2
1 678 . 1 1 A 65 65 GLU CB C 65 30.346 30.724 -0.378 2
1 682 . 1 1 A 65 65 GLU C C 65 176.381 176.059 0.322 2
1 685 . 1 1 A 66 66 ILE N N 66 124.380 121.671 2.709 2
1 686 . 1 1 A 66 66 ILE H H 66 8.541 8.558 -0.017 2
1 687 . 1 1 A 66 66 ILE CA C 66 60.568 60.284 0.284 2
1 688 . 1 1 A 66 66 ILE HA H 66 4.865 4.924 -0.059 2
1 689 . 1 1 A 66 66 ILE CB C 66 41.804 41.501 0.303 2
1 701 . 1 1 A 66 66 ILE C C 66 175.421 174.711 0.710 2
1 703 . 1 1 A 67 67 SER N N 67 122.057 123.836 -1.779 2
1 704 . 1 1 A 67 67 SER H H 67 9.035 8.962 0.073 2
1 705 . 1 1 A 67 67 SER CA C 67 56.908 57.258 -0.350 2
1 706 . 1 1 A 67 67 SER HA H 67 4.729 4.976 -0.247 2
1 707 . 1 1 A 67 67 SER CB C 67 64.980 63.958 1.022 2
1 709 . 1 1 A 67 67 SER C C 67 172.294 173.266 -0.972 2
1 711 . 1 1 A 68 68 CYS N N 68 124.699 124.485 0.214 2
1 712 . 1 1 A 68 68 CYS H H 68 8.732 8.608 0.124 2
1 713 . 1 1 A 68 68 CYS CA C 68 57.310 58.574 -1.264 2
1 714 . 1 1 A 68 68 CYS HA H 68 5.038 4.779 0.259 2
1 715 . 1 1 A 68 68 CYS CB C 68 28.380 28.697 -0.317 2
1 717 . 1 1 A 68 68 CYS C C 68 173.135 174.323 -1.188 2
1 719 . 1 1 A 69 69 ILE N N 69 128.680 124.389 4.291 2
1 720 . 1 1 A 69 69 ILE H H 69 8.757 8.618 0.139 2
1 721 . 1 1 A 69 69 ILE CA C 69 59.153 60.114 -0.961 2
1 722 . 1 1 A 69 69 ILE HA H 69 4.350 4.628 -0.278 2
1 723 . 1 1 A 69 69 ILE CB C 69 40.750 41.443 -0.693 2
1 735 . 1 1 A 69 69 ILE C C 69 174.363 173.973 0.390 2
1 737 . 1 1 A 70 70 ASP N N 70 126.290 127.961 -1.671 2
1 738 . 1 1 A 70 70 ASP H H 70 8.596 8.857 -0.261 2
1 739 . 1 1 A 70 70 ASP CA C 70 53.671 53.706 -0.035 2
1 740 . 1 1 A 70 70 ASP HA H 70 4.892 4.960 -0.068 2
1 741 . 1 1 A 70 70 ASP CB C 70 41.069 42.336 -1.267 2
1 743 . 1 1 A 70 70 ASP C C 70 176.812 175.516 1.296 2
1 745 . 1 1 A 71 71 ASN N N 71 125.163 123.103 2.060 2
1 746 . 1 1 A 71 71 ASN H H 71 8.745 8.617 0.128 2
1 747 . 1 1 A 71 71 ASN CA C 71 54.626 52.086 2.540 2
1 748 . 1 1 A 71 71 ASN HA H 71 4.647 5.065 -0.418 2
1 749 . 1 1 A 71 71 ASN CB C 71 38.688 40.957 -2.269 2
1 754 . 1 1 A 71 71 ASN C C 71 175.657 175.605 0.052 2
1 756 . 1 1 A 72 72 LYS N N 72 114.425 120.581 -6.156 2
1 757 . 1 1 A 72 72 LYS H H 72 9.407 8.586 0.821 2
1 758 . 1 1 A 72 72 LYS CA C 72 57.535 57.025 0.510 2
1 759 . 1 1 A 72 72 LYS HA H 72 4.028 4.298 -0.270 2
1 760 . 1 1 A 72 72 LYS CB C 72 28.393 32.010 -3.617 2
1 768 . 1 1 A 72 72 LYS C C 72 175.123 176.892 -1.769 2
1 773 . 1 1 A 73 73 ASP N N 73 117.581 117.785 -0.204 2
1 774 . 1 1 A 73 73 ASP H H 73 7.881 7.985 -0.104 2
1 775 . 1 1 A 73 73 ASP CA C 73 52.274 54.305 -2.031 2
1 776 . 1 1 A 73 73 ASP HA H 73 4.769 4.715 0.054 2
1 777 . 1 1 A 73 73 ASP CB C 73 41.210 41.733 -0.523 2
1 779 . 1 1 A 73 73 ASP C C 73 177.197 176.242 0.955 2
1 781 . 1 1 A 74 74 GLY N N 74 109.385 107.010 2.375 2
1 782 . 1 1 A 74 74 GLY H H 74 8.781 8.000 0.781 2
1 783 . 1 1 A 74 74 GLY CA C 74 45.179 45.582 -0.403 2
1 784 . 1 1 A 74 74 GLY HA3 H 74 3.673 4.010 -0.337 2
1 785 . 1 1 A 74 74 GLY C C 74 173.671 173.816 -0.145 2
1 786 . 1 1 A 74 74 GLY HA2 H 74 4.469 4.007 0.462 2
1 787 . 1 1 A 75 75 THR N N 75 110.220 110.305 -0.085 2
1 788 . 1 1 A 75 75 THR H H 75 8.179 7.730 0.449 2
1 789 . 1 1 A 75 75 THR CA C 75 59.843 59.898 -0.055 2
1 790 . 1 1 A 75 75 THR HA H 75 5.678 4.983 0.695 2
1 791 . 1 1 A 75 75 THR CB C 75 73.810 72.116 1.694 2
1 797 . 1 1 A 75 75 THR C C 75 173.912 172.913 0.999 2
1 798 . 1 1 A 76 76 CYS N N 76 117.252 120.354 -3.102 2
1 799 . 1 1 A 76 76 CYS H H 76 9.295 8.668 0.627 2
1 800 . 1 1 A 76 76 CYS CA C 76 56.716 57.461 -0.745 2
1 801 . 1 1 A 76 76 CYS HA H 76 5.517 5.162 0.355 2
1 802 . 1 1 A 76 76 CYS CB C 76 31.176 30.700 0.476 2
1 804 . 1 1 A 76 76 CYS C C 76 174.083 173.187 0.896 2
1 806 . 1 1 A 77 77 THR N N 77 121.477 120.554 0.923 2
1 807 . 1 1 A 77 77 THR H H 77 9.137 8.708 0.429 2
1 808 . 1 1 A 77 77 THR CA C 77 62.565 61.729 0.836 2
1 809 . 1 1 A 77 77 THR HA H 77 4.592 4.794 -0.202 2
1 810 . 1 1 A 77 77 THR CB C 77 70.447 69.776 0.671 2
1 816 . 1 1 A 77 77 THR C C 77 173.469 173.492 -0.023 2
1 817 . 1 1 A 78 78 VAL N N 78 131.586 127.299 4.287 2
1 818 . 1 1 A 78 78 VAL H H 78 9.099 8.251 0.848 2
1 819 . 1 1 A 78 78 VAL CA C 78 60.604 60.927 -0.323 2
1 820 . 1 1 A 78 78 VAL HA H 78 4.672 4.624 0.048 2
1 821 . 1 1 A 78 78 VAL CB C 78 32.061 32.612 -0.551 2
1 831 . 1 1 A 78 78 VAL C C 78 174.618 174.789 -0.171 2
1 832 . 1 1 A 79 79 THR N N 79 120.071 123.149 -3.078 2
1 833 . 1 1 A 79 79 THR H H 79 8.782 8.692 0.090 2
1 834 . 1 1 A 79 79 THR CA C 79 59.685 62.013 -2.328 2
1 835 . 1 1 A 79 79 THR HA H 79 5.424 5.079 0.345 2
1 836 . 1 1 A 79 79 THR CB C 79 71.374 70.779 0.595 2
1 842 . 1 1 A 79 79 THR C C 79 173.250 173.575 -0.325 2
1 843 . 1 1 A 80 80 TYR N N 80 120.212 121.432 -1.220 2
1 844 . 1 1 A 80 80 TYR H H 80 9.132 8.545 0.587 2
1 845 . 1 1 A 80 80 TYR CA C 80 55.554 55.877 -0.323 2
1 846 . 1 1 A 80 80 TYR HA H 80 5.686 5.471 0.215 2
1 847 . 1 1 A 80 80 TYR CB C 80 42.143 41.845 0.298 2
1 857 . 1 1 A 80 80 TYR C C 80 172.856 172.470 0.386 2
1 859 . 1 1 A 81 81 LEU N N 81 121.355 123.278 -1.923 2
1 860 . 1 1 A 81 81 LEU H H 81 7.729 9.002 -1.273 2
1 861 . 1 1 A 81 81 LEU CA C 81 50.912 51.055 -0.143 2
1 862 . 1 1 A 81 81 LEU HA H 81 4.991 4.696 0.295 2
1 863 . 1 1 A 81 81 LEU CB C 81 43.636 45.130 -1.494 2
1 875 . 1 1 A 81 81 LEU C C 81 172.982 175.126 -2.144 2
1 877 . 1 1 A 82 82 PRO CA C 82 61.629 62.634 -1.005 2
1 878 . 1 1 A 82 82 PRO HA H 82 4.587 4.799 -0.212 2
1 879 . 1 1 A 82 82 PRO CB C 82 32.091 33.125 -1.034 2
1 885 . 1 1 A 82 82 PRO C C 82 177.683 176.769 0.914 2
1 889 . 1 1 A 83 83 THR N N 83 112.637 112.761 -0.124 2
1 890 . 1 1 A 83 83 THR H H 83 8.438 8.577 -0.139 2
1 891 . 1 1 A 83 83 THR CA C 83 62.207 62.584 -0.377 2
1 892 . 1 1 A 83 83 THR HA H 83 4.305 4.519 -0.214 2
1 893 . 1 1 A 83 83 THR CB C 83 69.155 70.112 -0.957 2
1 899 . 1 1 A 83 83 THR C C 83 173.582 174.563 -0.981 2
1 900 . 1 1 A 84 84 LEU N N 84 118.186 120.387 -2.201 2
1 901 . 1 1 A 84 84 LEU H H 84 6.839 7.581 -0.742 2
1 902 . 1 1 A 84 84 LEU CA C 84 51.513 51.529 -0.016 2
1 903 . 1 1 A 84 84 LEU HA H 84 4.976 4.915 0.061 2
1 904 . 1 1 A 84 84 LEU CB C 84 45.838 45.632 0.206 2
1 916 . 1 1 A 84 84 LEU C C 84 175.119 174.406 0.713 2
1 918 . 1 1 A 85 85 PRO CA C 85 62.660 63.331 -0.671 2
1 919 . 1 1 A 85 85 PRO HA H 85 4.347 4.851 -0.504 2
1 920 . 1 1 A 85 85 PRO CB C 85 32.801 31.755 1.046 2
1 926 . 1 1 A 85 85 PRO C C 85 174.117 176.164 -2.047 2
1 930 . 1 1 A 86 86 GLY N N 86 106.704 108.356 -1.652 2
1 931 . 1 1 A 86 86 GLY H H 86 9.065 8.056 1.010 2
1 932 . 1 1 A 86 86 GLY CA C 86 44.520 45.409 -0.889 2
1 933 . 1 1 A 86 86 GLY HA3 H 86 3.838 4.121 -0.283 2
1 934 . 1 1 A 86 86 GLY C C 86 171.468 172.311 -0.843 2
1 935 . 1 1 A 86 86 GLY HA2 H 86 4.408 4.027 0.381 2
1 936 . 1 1 A 87 87 ASP N N 87 120.573 119.990 0.583 2
1 937 . 1 1 A 87 87 ASP H H 87 8.275 8.448 -0.173 2
1 938 . 1 1 A 87 87 ASP CA C 87 53.500 54.196 -0.696 2
1 939 . 1 1 A 87 87 ASP HA H 87 5.498 4.762 0.736 2
1 940 . 1 1 A 87 87 ASP CB C 87 40.877 40.573 0.304 2
1 942 . 1 1 A 87 87 ASP C C 87 176.069 175.411 0.658 2
1 944 . 1 1 A 88 88 TYR N N 88 124.115 124.671 -0.556 2
1 945 . 1 1 A 88 88 TYR H H 88 9.510 8.709 0.801 2
1 946 . 1 1 A 88 88 TYR CA C 88 56.667 57.549 -0.882 2
1 947 . 1 1 A 88 88 TYR HA H 88 4.983 5.038 -0.055 2
1 948 . 1 1 A 88 88 TYR CB C 88 39.633 39.642 -0.009 2
1 958 . 1 1 A 88 88 TYR C C 88 174.533 175.232 -0.699 2
1 960 . 1 1 A 89 89 SER N N 89 118.331 120.722 -2.391 2
1 961 . 1 1 A 89 89 SER H H 89 9.200 8.952 0.248 2
1 962 . 1 1 A 89 89 SER CA C 89 56.737 58.065 -1.328 2
1 963 . 1 1 A 89 89 SER HA H 89 5.346 4.806 0.540 2
1 964 . 1 1 A 89 89 SER CB C 89 64.421 62.986 1.435 2
1 966 . 1 1 A 89 89 SER C C 89 173.462 173.610 -0.148 2
1 968 . 1 1 A 90 90 ILE N N 90 127.805 127.126 0.679 2
1 969 . 1 1 A 90 90 ILE H H 90 9.536 8.540 0.996 2
1 970 . 1 1 A 90 90 ILE CA C 90 61.209 61.446 -0.237 2
1 971 . 1 1 A 90 90 ILE HA H 90 4.505 4.404 0.101 2
1 972 . 1 1 A 90 90 ILE CB C 90 39.225 37.823 1.402 2
1 984 . 1 1 A 90 90 ILE C C 90 174.259 175.411 -1.152 2
1 986 . 1 1 A 91 91 LEU N N 91 129.968 127.707 2.261 2
1 987 . 1 1 A 91 91 LEU H H 91 9.354 8.931 0.423 2
1 988 . 1 1 A 91 91 LEU CA C 91 55.510 53.600 1.910 2
1 989 . 1 1 A 91 91 LEU HA H 91 4.774 5.200 -0.426 2
1 990 . 1 1 A 91 91 LEU CB C 91 42.674 43.979 -1.305 2
1 1002 . 1 1 A 91 91 LEU C C 91 175.517 175.535 -0.018 2
1 1004 . 1 1 A 92 92 VAL N N 92 124.859 125.513 -0.654 2
1 1005 . 1 1 A 92 92 VAL H H 92 9.431 9.084 0.347 2
1 1006 . 1 1 A 92 92 VAL CA C 92 61.488 60.950 0.539 2
1 1007 . 1 1 A 92 92 VAL HA H 92 4.626 4.930 -0.304 2
1 1008 . 1 1 A 92 92 VAL CB C 92 33.437 34.549 -1.112 2
1 1018 . 1 1 A 92 92 VAL C C 92 173.589 174.669 -1.080 2
1 1019 . 1 1 A 93 93 LYS N N 93 123.909 126.445 -2.536 2
1 1020 . 1 1 A 93 93 LYS H H 93 8.660 8.839 -0.179 2
1 1021 . 1 1 A 93 93 LYS CA C 93 53.953 54.256 -0.303 2
1 1022 . 1 1 A 93 93 LYS HA H 93 5.017 4.952 0.065 2
1 1023 . 1 1 A 93 93 LYS CB C 93 36.475 35.881 0.594 2
1 1031 . 1 1 A 93 93 LYS C C 93 174.746 174.556 0.190 2
1 1036 . 1 1 A 94 94 TYR N N 94 120.499 123.652 -3.153 2
1 1037 . 1 1 A 94 94 TYR H H 94 8.821 9.206 -0.385 2
1 1038 . 1 1 A 94 94 TYR CA C 94 56.438 57.534 -1.096 2
1 1039 . 1 1 A 94 94 TYR HA H 94 5.161 4.951 0.210 2
1 1040 . 1 1 A 94 94 TYR CB C 94 41.931 41.459 0.472 2
1 1050 . 1 1 A 94 94 TYR C C 94 176.635 175.062 1.573 2
1 1052 . 1 1 A 95 95 ASN N N 95 128.155 125.817 2.339 2
1 1053 . 1 1 A 95 95 ASN H H 95 8.872 9.286 -0.414 2
1 1054 . 1 1 A 95 95 ASN CA C 95 54.360 54.199 0.161 2
1 1055 . 1 1 A 95 95 ASN HA H 95 4.215 4.312 -0.097 2
1 1056 . 1 1 A 95 95 ASN CB C 95 36.735 36.887 -0.152 2
1 1061 . 1 1 A 95 95 ASN C C 95 174.592 174.179 0.413 2
1 1063 . 1 1 A 96 96 ASP N N 96 110.440 112.767 -2.327 2
1 1064 . 1 1 A 96 96 ASP H H 96 9.304 8.507 0.797 2
1 1065 . 1 1 A 96 96 ASP CA C 96 55.920 55.442 0.478 2
1 1066 . 1 1 A 96 96 ASP HA H 96 4.030 4.189 -0.159 2
1 1067 . 1 1 A 96 96 ASP CB C 96 40.704 39.355 1.349 2
1 1069 . 1 1 A 96 96 ASP C C 96 174.657 174.630 0.028 2
1 1071 . 1 1 A 97 97 LYS N N 97 118.806 116.988 1.818 2
1 1072 . 1 1 A 97 97 LYS H H 97 7.482 7.540 -0.058 2
1 1073 . 1 1 A 97 97 LYS CA C 97 54.378 55.058 -0.680 2
1 1074 . 1 1 A 97 97 LYS HA H 97 4.715 4.773 -0.058 2
1 1075 . 1 1 A 97 97 LYS CB C 97 35.127 35.483 -0.356 2
1 1083 . 1 1 A 97 97 LYS C C 97 176.499 175.304 1.195 2
1 1088 . 1 1 A 98 98 HIS N N 98 124.063 122.842 1.221 2
1 1089 . 1 1 A 98 98 HIS H H 98 8.795 8.842 -0.047 2
1 1090 . 1 1 A 98 98 HIS CA C 98 58.870 56.701 2.169 2
1 1091 . 1 1 A 98 98 HIS HA H 98 4.496 4.699 -0.203 2
1 1092 . 1 1 A 98 98 HIS CB C 98 32.178 30.540 1.638 2
1 1098 . 1 1 A 98 98 HIS C C 98 177.720 175.711 2.009 2
1 1100 . 1 1 A 99 99 ILE N N 99 120.049 120.262 -0.213 2
1 1101 . 1 1 A 99 99 ILE H H 99 8.380 8.256 0.124 2
1 1102 . 1 1 A 99 99 ILE CA C 99 60.674 59.512 1.162 2
1 1103 . 1 1 A 99 99 ILE HA H 99 4.696 4.524 0.172 2
1 1104 . 1 1 A 99 99 ILE CB C 99 35.539 38.116 -2.577 2
1 1116 . 1 1 A 99 99 ILE C C 99 173.419 174.678 -1.259 2
1 1118 . 1 1 A 100 100 PRO CA C 100 65.343 63.594 1.749 2
1 1119 . 1 1 A 100 100 PRO HA H 100 4.255 4.318 -0.063 2
1 1120 . 1 1 A 100 100 PRO CB C 100 31.128 31.124 0.004 2
1 1126 . 1 1 A 100 100 PRO C C 100 176.734 177.437 -0.703 2
1 1130 . 1 1 A 101 101 GLY N N 101 113.906 113.231 0.674 2
1 1131 . 1 1 A 101 101 GLY H H 101 8.167 8.698 -0.531 2
1 1132 . 1 1 A 101 101 GLY CA C 101 44.668 44.969 -0.301 2
1 1133 . 1 1 A 101 101 GLY HA3 H 101 3.120 3.956 -0.836 2
1 1134 . 1 1 A 101 101 GLY C C 101 171.985 174.163 -2.178 2
1 1135 . 1 1 A 101 101 GLY HA2 H 101 4.140 3.904 0.236 2
1 1136 . 1 1 A 102 102 SER N N 102 112.418 116.676 -4.258 2
1 1137 . 1 1 A 102 102 SER H H 102 7.641 7.346 0.295 2
1 1138 . 1 1 A 102 102 SER CA C 102 54.770 55.947 -1.177 2
1 1139 . 1 1 A 102 102 SER HA H 102 4.107 3.949 0.158 2
1 1140 . 1 1 A 102 102 SER CB C 102 62.454 63.676 -1.223 2
1 1142 . 1 1 A 102 102 SER C C 102 174.682 172.518 2.164 2
1 1144 . 1 1 A 103 103 PRO CA C 103 62.301 62.269 0.032 2
1 1145 . 1 1 A 103 103 PRO HA H 103 5.363 4.568 0.795 2
1 1146 . 1 1 A 103 103 PRO CB C 103 33.964 32.378 1.586 2
1 1152 . 1 1 A 103 103 PRO C C 103 176.438 175.738 0.700 2
1 1156 . 1 1 A 104 104 PHE N N 104 126.067 119.952 6.115 2
1 1157 . 1 1 A 104 104 PHE H H 104 9.449 8.158 1.291 2
1 1158 . 1 1 A 104 104 PHE CA C 104 57.102 57.314 -0.212 2
1 1159 . 1 1 A 104 104 PHE HA H 104 4.621 5.008 -0.387 2
1 1160 . 1 1 A 104 104 PHE CB C 104 40.656 41.354 -0.698 2
1 1170 . 1 1 A 104 104 PHE C C 104 176.313 175.486 0.827 2
1 1172 . 1 1 A 105 105 THR N N 105 118.402 116.404 1.998 2
1 1173 . 1 1 A 105 105 THR H H 105 8.842 8.917 -0.075 2
1 1174 . 1 1 A 105 105 THR CA C 105 62.018 61.566 0.452 2
1 1175 . 1 1 A 105 105 THR HA H 105 5.153 5.005 0.148 2
1 1176 . 1 1 A 105 105 THR CB C 105 70.095 70.228 -0.133 2
1 1182 . 1 1 A 105 105 THR C C 105 172.525 173.370 -0.845 2
1 1183 . 1 1 A 106 106 ALA N N 106 131.132 129.789 1.343 2
1 1184 . 1 1 A 106 106 ALA H H 106 9.192 8.666 0.526 2
1 1185 . 1 1 A 106 106 ALA CA C 106 50.187 50.779 -0.592 2
1 1186 . 1 1 A 106 106 ALA HA H 106 4.435 5.155 -0.720 2
1 1187 . 1 1 A 106 106 ALA CB C 106 21.021 20.392 0.629 2
1 1191 . 1 1 A 106 106 ALA C C 106 176.136 176.371 -0.235 2
1 1192 . 1 1 A 107 107 LYS N N 107 122.751 124.350 -1.599 2
1 1193 . 1 1 A 107 107 LYS H H 107 7.746 8.688 -0.942 2
1 1194 . 1 1 A 107 107 LYS CA C 107 55.652 55.794 -0.142 2
1 1195 . 1 1 A 107 107 LYS HA H 107 4.797 4.617 0.180 2
1 1196 . 1 1 A 107 107 LYS CB C 107 32.606 32.137 0.469 2
1 1204 . 1 1 A 107 107 LYS C C 107 174.648 175.110 -0.462 2
1 1209 . 1 1 A 108 108 ILE N N 108 127.629 126.725 0.904 2
1 1210 . 1 1 A 108 108 ILE H H 108 9.024 8.637 0.387 2
1 1211 . 1 1 A 108 108 ILE CA C 108 56.801 60.778 -3.977 2
1 1212 . 1 1 A 108 108 ILE HA H 108 4.688 5.151 -0.463 2
1 1213 . 1 1 A 108 108 ILE CB C 108 35.101 39.270 -4.169 2
1 1225 . 1 1 A 108 108 ILE C C 108 178.159 175.508 2.651 2
1 1227 . 1 1 A 109 109 THR N N 109 121.563 118.667 2.896 2
1 1228 . 1 1 A 109 109 THR H H 109 8.861 8.639 0.222 2
1 1229 . 1 1 A 109 109 THR CA C 109 60.745 59.662 1.083 2
1 1230 . 1 1 A 109 109 THR HA H 109 4.778 5.043 -0.265 2
1 1231 . 1 1 A 109 109 THR CB C 109 71.067 71.505 -0.438 2
1 1237 . 1 1 A 109 109 THR C C 109 173.421 172.508 0.913 2
1 1238 . 1 1 A 110 110 ASP N N 110 119.526 121.948 -2.422 2
1 1239 . 1 1 A 110 110 ASP H H 110 8.631 8.712 -0.081 2
1 1240 . 1 1 A 110 110 ASP CA C 110 53.971 52.798 1.173 2
1 1241 . 1 1 A 110 110 ASP HA H 110 4.729 5.205 -0.476 2
1 1242 . 1 1 A 110 110 ASP CB C 110 42.087 42.814 -0.727 2
1 1244 . 1 1 A 110 110 ASP C C 110 176.124 175.037 1.087 2
1 1246 . 1 1 A 111 111 ASP N N 111 122.287 124.162 -1.874 2
1 1247 . 1 1 A 111 111 ASP H H 111 8.638 8.864 -0.226 2
1 1248 . 1 1 A 111 111 ASP CA C 111 54.042 54.131 -0.089 2
1 1249 . 1 1 A 111 111 ASP HA H 111 4.644 4.818 -0.174 2
1 1250 . 1 1 A 111 111 ASP CB C 111 41.218 41.616 -0.398 2
1 1252 . 1 1 A 111 111 ASP C C 111 176.668 176.077 0.591 2
1 1254 . 1 1 A 112 112 SER N N 112 117.157 116.599 0.558 2
1 1255 . 1 1 A 112 112 SER H H 112 8.416 8.110 0.306 2
1 1256 . 1 1 A 112 112 SER CA C 112 59.277 59.003 0.274 2
1 1257 . 1 1 A 112 112 SER HA H 112 4.348 4.400 -0.052 2
1 1258 . 1 1 A 112 112 SER CB C 112 63.943 62.598 1.345 2
1 1260 . 1 1 A 112 112 SER C C 112 174.721 174.243 0.478 2
1 1262 . 1 1 A 113 113 ARG N N 113 122.178 122.483 -0.305 2
1 1263 . 1 1 A 113 113 ARG H H 113 8.238 7.941 0.297 2
1 1264 . 1 1 A 113 113 ARG CA C 113 56.195 56.357 -0.162 2
1 1265 . 1 1 A 113 113 ARG HA H 113 4.347 4.416 -0.069 2
1 1266 . 1 1 A 113 113 ARG CB C 113 30.470 30.892 -0.422 2
1 1271 . 1 1 A 113 113 ARG C C 113 176.207 175.660 0.547 2
1 1275 . 1 1 A 114 114 ARG N N 114 122.696 122.098 0.598 2
1 1276 . 1 1 A 114 114 ARG H H 114 8.338 8.332 0.006 2
1 1277 . 1 1 A 114 114 ARG CA C 114 56.164 56.071 0.093 2
1 1278 . 1 1 A 114 114 ARG HA H 114 4.390 4.526 -0.136 2
1 1279 . 1 1 A 114 114 ARG CB C 114 30.679 31.415 -0.736 2
1 1285 . 1 1 A 114 114 ARG C C 114 175.468 175.690 -0.222 2
stop_
save_