data_11060_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11060
_Entry.PDB_ID 2RPB
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 SER HA H 63 4.660 5.098 -0.438 1
1 4 . 1 1 1 A 2 2 SER CB C 63 63.645 65.729 -2.084 1
1 5 . 1 1 1 A 3 3 ASP HA H 64 4.688 4.204 0.484 1
1 8 . 1 1 1 A 3 3 ASP H H 64 8.603 9.071 -0.468 1
1 9 . 1 1 1 A 3 3 ASP CA C 64 54.354 58.018 -3.664 1
1 10 . 1 1 1 A 3 3 ASP CB C 64 40.980 40.679 0.301 1
1 11 . 1 1 1 A 3 3 ASP N N 64 122.069 126.741 -4.672 1
1 12 . 1 1 1 A 4 4 HIS HA H 65 4.735 4.570 0.165 1
1 17 . 1 1 1 A 4 4 HIS H H 65 8.354 7.753 0.601 1
1 18 . 1 1 1 A 4 4 HIS CA C 65 56.220 56.874 -0.654 1
1 19 . 1 1 1 A 4 4 HIS CB C 65 30.570 29.929 0.641 1
1 22 . 1 1 1 A 4 4 HIS N N 65 119.219 116.625 2.594 1
1 29 . 1 1 1 A 5 5 VAL HA H 66 4.183 4.460 -0.277 1
1 31 . 1 1 1 A 5 5 VAL H H 66 8.073 8.909 -0.836 1
1 32 . 1 1 1 A 5 5 VAL CA C 66 62.127 60.367 1.760 1
1 33 . 1 1 1 A 5 5 VAL CB C 66 32.960 31.541 1.419 1
1 36 . 1 1 1 A 5 5 VAL N N 66 121.775 117.408 4.367 1
1 37 . 1 1 1 A 6 6 ASP CA C 67 53.727 53.301 0.426 1
1 38 . 1 1 1 A 6 6 ASP CB C 67 41.472 41.746 -0.274 1
1 39 . 1 1 1 A 6 6 ASP HA H 67 4.771 4.901 -0.130 1
1 42 . 1 1 1 A 6 6 ASP H H 67 8.615 7.628 0.987 1
1 43 . 1 1 1 A 6 6 ASP N N 67 124.725 123.514 1.211 1
1 44 . 1 1 1 A 7 7 LEU CA C 68 54.586 54.139 0.447 1
1 45 . 1 1 1 A 7 7 LEU CB C 68 41.657 41.228 0.429 1
1 49 . 1 1 1 A 7 7 LEU HA H 68 4.556 4.452 0.104 1
1 53 . 1 1 1 A 7 7 LEU H H 68 8.441 9.035 -0.594 1
1 54 . 1 1 1 A 7 7 LEU N N 68 123.747 125.886 -2.139 1
1 61 . 1 1 1 A 8 8 ARG CA C 69 56.247 56.290 -0.043 1
1 62 . 1 1 1 A 8 8 ARG CB C 69 30.828 30.318 0.510 1
1 65 . 1 1 1 A 8 8 ARG HA H 69 4.253 4.192 0.061 1
1 70 . 1 1 1 A 8 8 ARG H H 69 8.209 7.403 0.806 1
1 71 . 1 1 1 A 8 8 ARG N N 69 121.063 119.158 1.905 1
1 73 . 1 1 1 A 9 9 GLU CA C 70 55.691 54.508 1.183 1
1 74 . 1 1 1 A 9 9 GLU CB C 70 31.777 32.832 -1.055 1
1 76 . 1 1 1 A 9 9 GLU HA H 70 4.655 4.826 -0.171 1
1 79 . 1 1 1 A 9 9 GLU H H 70 8.338 8.583 -0.245 1
1 80 . 1 1 1 A 9 9 GLU N N 70 121.677 122.387 -0.710 1
1 82 . 1 1 1 A 10 10 HIS CA C 71 54.619 54.064 0.555 1
1 83 . 1 1 1 A 10 10 HIS CB C 71 32.189 33.263 -1.074 1
1 86 . 1 1 1 A 10 10 HIS HA H 71 4.716 4.889 -0.173 1
1 91 . 1 1 1 A 10 10 HIS H H 71 9.043 8.663 0.380 1
1 92 . 1 1 1 A 10 10 HIS N N 71 125.575 117.962 7.613 1
1 93 . 1 1 1 A 11 11 VAL CA C 72 60.567 59.606 0.961 1
1 94 . 1 1 1 A 11 11 VAL CB C 72 35.380 33.768 1.612 1
1 97 . 1 1 1 A 11 11 VAL HA H 72 4.951 4.466 0.485 1
1 99 . 1 1 1 A 11 11 VAL H H 72 8.218 8.851 -0.633 1
1 100 . 1 1 1 A 11 11 VAL N N 72 117.348 120.805 -3.457 1
1 107 . 1 1 1 A 12 12 ILE CA C 73 59.857 59.999 -0.142 1
1 108 . 1 1 1 A 12 12 ILE CB C 73 41.969 39.967 2.002 1
1 112 . 1 1 1 A 12 12 ILE HA H 73 4.464 4.835 -0.371 1
1 116 . 1 1 1 A 12 12 ILE H H 73 9.272 9.336 -0.064 1
1 117 . 1 1 1 A 12 12 ILE N N 73 126.908 128.900 -1.992 1
1 124 . 1 1 1 A 13 13 ASP CB C 74 41.534 41.882 -0.348 1
1 125 . 1 1 1 A 13 13 ASP HA H 74 4.885 5.045 -0.160 1
1 128 . 1 1 1 A 13 13 ASP H H 74 8.501 8.818 -0.317 1
1 129 . 1 1 1 A 13 13 ASP N N 74 126.253 127.874 -1.621 1
1 130 . 1 1 1 A 14 14 VAL CA C 75 59.550 58.293 1.257 1
1 131 . 1 1 1 A 14 14 VAL CB C 75 32.270 34.340 -2.070 1
1 134 . 1 1 1 A 14 14 VAL HA H 75 4.491 4.747 -0.256 1
1 136 . 1 1 1 A 14 14 VAL H H 75 8.758 8.979 -0.221 1
1 137 . 1 1 1 A 14 14 VAL N N 75 124.997 123.645 1.352 1
1 144 . 1 1 1 A 15 15 PRO CB C 76 30.981 31.646 -0.665 1
1 147 . 1 1 1 A 15 15 PRO HA H 76 4.837 4.718 0.119 1
1 153 . 1 1 1 A 16 16 PRO CB C 77 32.267 33.049 -0.782 1
1 156 . 1 1 1 A 16 16 PRO HA H 77 4.881 4.957 -0.076 1
1 162 . 1 1 1 A 17 17 GLN CA C 78 53.332 55.125 -1.793 1
1 163 . 1 1 1 A 17 17 GLN CB C 78 33.352 32.021 1.331 1
1 165 . 1 1 1 A 17 17 GLN HA H 78 4.768 4.576 0.192 1
1 170 . 1 1 1 A 17 17 GLN H H 78 8.612 8.329 0.283 1
1 171 . 1 1 1 A 17 17 GLN N N 78 119.550 121.301 -1.751 1
1 175 . 1 1 1 A 18 18 GLU CA C 79 55.955 56.437 -0.482 1
1 176 . 1 1 1 A 18 18 GLU CB C 79 30.087 30.129 -0.042 1
1 178 . 1 1 1 A 18 18 GLU HA H 79 5.070 4.848 0.222 1
1 183 . 1 1 1 A 18 18 GLU H H 79 8.626 8.699 -0.073 1
1 184 . 1 1 1 A 18 18 GLU N N 79 123.226 126.777 -3.551 1
1 185 . 1 1 1 A 19 19 VAL CA C 80 60.191 60.832 -0.641 1
1 186 . 1 1 1 A 19 19 VAL CB C 80 34.901 35.152 -0.251 1
1 189 . 1 1 1 A 19 19 VAL HA H 80 4.562 4.654 -0.092 1
1 191 . 1 1 1 A 19 19 VAL H H 80 9.568 8.168 1.400 1
1 192 . 1 1 1 A 19 19 VAL N N 80 123.365 124.916 -1.551 1
1 199 . 1 1 1 A 20 20 ILE CA C 81 60.810 61.510 -0.700 1
1 200 . 1 1 1 A 20 20 ILE CB C 81 39.198 37.193 2.005 1
1 204 . 1 1 1 A 20 20 ILE HA H 81 4.678 4.067 0.611 1
1 208 . 1 1 1 A 20 20 ILE H H 81 8.048 8.763 -0.715 1
1 209 . 1 1 1 A 20 20 ILE N N 81 122.564 128.040 -5.476 1
1 216 . 1 1 1 A 21 21 CYS CB C 82 29.386 28.717 0.669 1
1 217 . 1 1 1 A 21 21 CYS HA H 82 4.932 4.479 0.453 1
1 220 . 1 1 1 A 21 21 CYS H H 82 8.796 8.839 -0.043 1
1 221 . 1 1 1 A 21 21 CYS N N 82 125.960 126.746 -0.786 1
1 222 . 1 1 1 A 22 22 LYS CA C 83 59.330 59.356 -0.026 1
1 223 . 1 1 1 A 22 22 LYS CB C 83 33.478 32.410 1.068 1
1 227 . 1 1 1 A 22 22 LYS HA H 83 4.096 4.035 0.061 1
1 234 . 1 1 1 A 22 22 LYS H H 83 8.735 8.577 0.158 1
1 235 . 1 1 1 A 22 22 LYS N N 83 123.785 124.718 -0.933 1
1 237 . 1 1 1 A 23 23 ASP CA C 84 53.011 53.068 -0.057 1
1 238 . 1 1 1 A 23 23 ASP CB C 84 38.642 40.495 -1.853 1
1 239 . 1 1 1 A 23 23 ASP HA H 84 4.694 4.735 -0.041 1
1 242 . 1 1 1 A 23 23 ASP H H 84 8.667 7.683 0.984 1
1 243 . 1 1 1 A 23 23 ASP N N 84 112.676 117.911 -5.235 1
1 244 . 1 1 1 A 24 24 ASN CA C 85 54.989 54.022 0.967 1
1 245 . 1 1 1 A 24 24 ASN CB C 85 36.698 37.131 -0.433 1
1 246 . 1 1 1 A 24 24 ASN HA H 85 4.321 4.393 -0.072 1
1 251 . 1 1 1 A 24 24 ASN H H 85 8.264 8.107 0.157 1
1 252 . 1 1 1 A 24 24 ASN N N 85 112.321 117.789 -5.468 1
1 254 . 1 1 1 A 25 25 VAL CA C 86 61.920 61.231 0.689 1
1 255 . 1 1 1 A 25 25 VAL CB C 86 33.581 33.269 0.312 1
1 258 . 1 1 1 A 25 25 VAL HA H 86 4.247 4.376 -0.129 1
1 260 . 1 1 1 A 25 25 VAL H H 86 6.817 7.652 -0.835 1
1 261 . 1 1 1 A 25 25 VAL N N 86 117.663 118.885 -1.222 1
1 268 . 1 1 1 A 26 26 VAL CA C 87 62.127 61.944 0.183 1
1 269 . 1 1 1 A 26 26 VAL CB C 87 32.468 32.091 0.377 1
1 272 . 1 1 1 A 26 26 VAL HA H 87 4.710 4.444 0.266 1
1 274 . 1 1 1 A 26 26 VAL H H 87 8.467 8.709 -0.242 1
1 275 . 1 1 1 A 26 26 VAL N N 87 128.149 129.360 -1.211 1
1 282 . 1 1 1 A 27 27 VAL CA C 88 58.409 59.082 -0.673 1
1 283 . 1 1 1 A 27 27 VAL CB C 88 34.991 36.318 -1.327 1
1 286 . 1 1 1 A 27 27 VAL HA H 88 4.995 5.092 -0.097 1
1 288 . 1 1 1 A 27 27 VAL H H 88 8.983 8.887 0.096 1
1 289 . 1 1 1 A 27 27 VAL N N 88 119.421 122.414 -2.993 1
1 296 . 1 1 1 A 28 28 THR CA C 89 62.180 62.070 0.110 1
1 297 . 1 1 1 A 28 28 THR CB C 89 69.351 69.594 -0.243 1
1 299 . 1 1 1 A 28 28 THR HA H 89 5.249 4.873 0.376 1
1 301 . 1 1 1 A 28 28 THR H H 89 8.544 8.211 0.333 1
1 302 . 1 1 1 A 28 28 THR N N 89 118.810 117.177 1.633 1
1 306 . 1 1 1 A 29 29 VAL CA C 90 58.826 60.227 -1.401 1
1 307 . 1 1 1 A 29 29 VAL CB C 90 36.035 33.716 2.319 1
1 310 . 1 1 1 A 29 29 VAL HA H 90 5.527 4.754 0.773 1
1 312 . 1 1 1 A 29 29 VAL H H 90 8.818 8.884 -0.066 1
1 313 . 1 1 1 A 29 29 VAL N N 90 123.670 127.730 -4.060 1
1 320 . 1 1 1 A 30 30 ASP CA C 91 52.821 53.201 -0.380 1
1 321 . 1 1 1 A 30 30 ASP CB C 91 42.960 44.348 -1.388 1
1 322 . 1 1 1 A 30 30 ASP HA H 91 4.785 5.306 -0.521 1
1 325 . 1 1 1 A 30 30 ASP H H 91 8.478 8.736 -0.258 1
1 326 . 1 1 1 A 30 30 ASP N N 91 125.411 125.279 0.132 1
1 327 . 1 1 1 A 31 31 ALA CA C 92 51.718 51.297 0.421 1
1 328 . 1 1 1 A 31 31 ALA CB C 92 22.216 23.711 -1.495 1
1 329 . 1 1 1 A 31 31 ALA HA H 92 5.268 4.892 0.376 1
1 330 . 1 1 1 A 31 31 ALA H H 92 8.075 8.589 -0.514 1
1 331 . 1 1 1 A 31 31 ALA N N 92 116.806 121.254 -4.448 1
1 335 . 1 1 1 A 32 32 VAL CB C 93 34.772 35.353 -0.581 1
1 338 . 1 1 1 A 32 32 VAL HA H 93 4.901 5.038 -0.137 1
1 340 . 1 1 1 A 32 32 VAL H H 93 8.306 8.838 -0.532 1
1 341 . 1 1 1 A 32 32 VAL N N 93 117.482 112.241 5.241 1
1 348 . 1 1 1 A 33 33 VAL CA C 94 61.058 60.987 0.071 1
1 349 . 1 1 1 A 33 33 VAL CB C 94 34.773 35.852 -1.079 1
1 352 . 1 1 1 A 33 33 VAL HA H 94 4.515 5.022 -0.507 1
1 354 . 1 1 1 A 33 33 VAL H H 94 8.873 8.101 0.772 1
1 355 . 1 1 1 A 33 33 VAL N N 94 124.653 121.406 3.247 1
1 362 . 1 1 1 A 34 34 TYR CA C 95 56.333 57.367 -1.034 1
1 363 . 1 1 1 A 34 34 TYR CB C 95 40.336 41.250 -0.914 1
1 366 . 1 1 1 A 34 34 TYR HA H 95 5.834 5.581 0.253 1
1 371 . 1 1 1 A 34 34 TYR H H 95 8.989 8.905 0.084 1
1 372 . 1 1 1 A 34 34 TYR N N 95 126.081 127.099 -1.018 1
1 375 . 1 1 1 A 35 35 TYR CA C 96 55.679 56.452 -0.773 1
1 376 . 1 1 1 A 35 35 TYR CB C 96 42.824 40.730 2.094 1
1 379 . 1 1 1 A 35 35 TYR HA H 96 6.097 5.627 0.470 1
1 384 . 1 1 1 A 35 35 TYR H H 96 9.102 8.614 0.488 1
1 385 . 1 1 1 A 35 35 TYR N N 96 117.188 118.702 -1.514 1
1 388 . 1 1 1 A 36 36 GLN CB C 97 33.643 32.667 0.976 1
1 390 . 1 1 1 A 36 36 GLN HA H 97 4.942 4.904 0.038 1
1 395 . 1 1 1 A 36 36 GLN H H 97 9.441 8.544 0.897 1
1 396 . 1 1 1 A 36 36 GLN N N 97 118.000 118.318 -0.318 1
1 399 . 1 1 1 A 37 37 VAL CA C 98 63.621 63.254 0.367 1
1 400 . 1 1 1 A 37 37 VAL CB C 98 31.380 30.819 0.561 1
1 403 . 1 1 1 A 37 37 VAL HA H 98 4.286 4.089 0.197 1
1 405 . 1 1 1 A 37 37 VAL H H 98 9.692 8.884 0.808 1
1 406 . 1 1 1 A 37 37 VAL N N 98 126.436 123.035 3.401 1
1 413 . 1 1 1 A 38 38 ILE CA C 99 61.011 62.848 -1.837 1
1 414 . 1 1 1 A 38 38 ILE CB C 99 38.943 38.419 0.524 1
1 418 . 1 1 1 A 38 38 ILE HA H 99 4.514 4.161 0.353 1
1 422 . 1 1 1 A 38 38 ILE H H 99 8.540 8.150 0.390 1
1 423 . 1 1 1 A 38 38 ILE N N 99 123.480 124.105 -0.625 1
1 430 . 1 1 1 A 39 39 ASP CA C 100 50.850 50.667 0.183 1
1 431 . 1 1 1 A 39 39 ASP CB C 100 41.979 42.150 -0.171 1
1 432 . 1 1 1 A 39 39 ASP HA H 100 5.326 4.988 0.338 1
1 435 . 1 1 1 A 39 39 ASP H H 100 8.135 7.729 0.406 1
1 436 . 1 1 1 A 39 39 ASP N N 100 119.056 122.825 -3.769 1
1 437 . 1 1 1 A 40 40 PRO CA C 101 64.279 64.996 -0.717 1
1 438 . 1 1 1 A 40 40 PRO CB C 101 32.510 32.068 0.442 1
1 441 . 1 1 1 A 40 40 PRO HA H 101 4.299 4.301 -0.002 1
1 448 . 1 1 1 A 41 41 VAL CA C 102 65.120 65.070 0.050 1
1 449 . 1 1 1 A 41 41 VAL CB C 102 31.406 31.328 0.078 1
1 452 . 1 1 1 A 41 41 VAL HA H 102 3.886 3.874 0.012 1
1 454 . 1 1 1 A 41 41 VAL H H 102 7.936 8.409 -0.473 1
1 455 . 1 1 1 A 41 41 VAL N N 102 118.168 116.122 2.046 1
1 462 . 1 1 1 A 42 42 LYS CA C 103 57.852 56.900 0.952 1
1 463 . 1 1 1 A 42 42 LYS CB C 103 33.597 33.804 -0.207 1
1 467 . 1 1 1 A 42 42 LYS HA H 103 4.242 4.494 -0.252 1
1 472 . 1 1 1 A 42 42 LYS H H 103 7.240 8.237 -0.997 1
1 473 . 1 1 1 A 42 42 LYS N N 103 118.280 120.015 -1.735 1
1 476 . 1 1 1 A 43 43 ALA CA C 104 53.615 51.913 1.702 1
1 477 . 1 1 1 A 43 43 ALA CB C 104 18.578 18.987 -0.409 1
1 478 . 1 1 1 A 43 43 ALA HA H 104 4.632 4.534 0.098 1
1 479 . 1 1 1 A 43 43 ALA H H 104 7.702 7.889 -0.187 1
1 480 . 1 1 1 A 43 43 ALA N N 104 122.122 120.218 1.904 1
1 484 . 1 1 1 A 44 44 VAL CA C 105 62.530 63.060 -0.530 1
1 485 . 1 1 1 A 44 44 VAL CB C 105 31.680 31.026 0.654 1
1 488 . 1 1 1 A 44 44 VAL HA H 105 4.197 3.947 0.250 1
1 490 . 1 1 1 A 44 44 VAL H H 105 7.682 7.884 -0.202 1
1 491 . 1 1 1 A 44 44 VAL N N 105 115.037 118.390 -3.353 1
1 498 . 1 1 1 A 45 45 TYR CA C 106 57.222 57.490 -0.268 1
1 499 . 1 1 1 A 45 45 TYR CB C 106 38.651 37.847 0.804 1
1 502 . 1 1 1 A 45 45 TYR HA H 106 4.652 4.548 0.104 1
1 505 . 1 1 1 A 45 45 TYR H H 106 7.436 7.585 -0.149 1
1 506 . 1 1 1 A 45 45 TYR N N 106 118.804 121.885 -3.081 1
1 510 . 1 1 1 A 46 46 ASN CB C 107 39.028 36.687 2.341 1
1 511 . 1 1 1 A 46 46 ASN HA H 107 4.959 4.204 0.755 1
1 516 . 1 1 1 A 46 46 ASN H H 107 8.614 8.045 0.569 1
1 517 . 1 1 1 A 46 46 ASN N N 107 118.495 113.572 4.923 1
1 519 . 1 1 1 A 47 47 VAL CA C 108 65.178 63.005 2.173 1
1 520 . 1 1 1 A 47 47 VAL CB C 108 32.022 29.575 2.447 1
1 523 . 1 1 1 A 47 47 VAL HA H 108 3.952 3.614 0.338 1
1 525 . 1 1 1 A 47 47 VAL H H 108 8.342 7.871 0.471 1
1 526 . 1 1 1 A 47 47 VAL N N 108 123.377 117.401 5.976 1
1 533 . 1 1 1 A 48 48 SER CA C 109 61.473 60.990 0.483 1
1 534 . 1 1 1 A 48 48 SER CB C 109 62.248 63.747 -1.499 1
1 535 . 1 1 1 A 48 48 SER HA H 109 4.298 4.523 -0.225 1
1 536 . 1 1 1 A 48 48 SER H H 109 8.353 8.046 0.307 1
1 537 . 1 1 1 A 48 48 SER N N 109 116.439 118.407 -1.968 1
1 539 . 1 1 1 A 49 49 ASP CA C 110 56.211 57.098 -0.887 1
1 540 . 1 1 1 A 49 49 ASP CB C 110 40.691 39.995 0.696 1
1 541 . 1 1 1 A 49 49 ASP HA H 110 4.534 4.161 0.373 1
1 542 . 1 1 1 A 49 49 ASP H H 110 7.832 8.402 -0.570 1
1 543 . 1 1 1 A 49 49 ASP N N 110 121.141 121.460 -0.319 1
1 545 . 1 1 1 A 50 50 PHE CA C 111 60.009 61.242 -1.233 1
1 546 . 1 1 1 A 50 50 PHE CB C 111 38.598 39.450 -0.852 1
1 550 . 1 1 1 A 50 50 PHE HA H 111 3.486 4.083 -0.597 1
1 555 . 1 1 1 A 50 50 PHE H H 111 8.044 8.249 -0.205 1
1 557 . 1 1 1 A 50 50 PHE N N 111 122.621 122.466 0.155 1
1 560 . 1 1 1 A 51 51 LEU CA C 112 58.009 58.281 -0.272 1
1 561 . 1 1 1 A 51 51 LEU CB C 112 41.213 41.826 -0.613 1
1 565 . 1 1 1 A 51 51 LEU HA H 112 3.546 3.774 -0.228 1
1 569 . 1 1 1 A 51 51 LEU H H 112 8.046 8.462 -0.416 1
1 570 . 1 1 1 A 51 51 LEU N N 112 119.691 120.710 -1.019 1
1 577 . 1 1 1 A 52 52 MET CA C 113 57.696 58.400 -0.704 1
1 578 . 1 1 1 A 52 52 MET CB C 113 32.289 32.256 0.033 1
1 581 . 1 1 1 A 52 52 MET HA H 113 4.231 4.143 0.088 1
1 586 . 1 1 1 A 52 52 MET H H 113 7.563 8.244 -0.681 1
1 587 . 1 1 1 A 52 52 MET N N 113 115.770 117.028 -1.258 1
1 591 . 1 1 1 A 53 53 ALA CA C 114 54.815 55.145 -0.330 1
1 592 . 1 1 1 A 53 53 ALA CB C 114 18.369 18.617 -0.248 1
1 593 . 1 1 1 A 53 53 ALA HA H 114 4.199 4.017 0.182 1
1 594 . 1 1 1 A 53 53 ALA H H 114 7.878 8.144 -0.266 1
1 595 . 1 1 1 A 53 53 ALA N N 114 121.804 122.450 -0.646 1
1 599 . 1 1 1 A 54 54 ILE CA C 115 63.259 64.957 -1.698 1
1 600 . 1 1 1 A 54 54 ILE CB C 115 36.127 37.582 -1.455 1
1 604 . 1 1 1 A 54 54 ILE HA H 115 3.767 3.578 0.189 1
1 608 . 1 1 1 A 54 54 ILE H H 115 8.202 8.307 -0.105 1
1 609 . 1 1 1 A 54 54 ILE N N 115 118.054 117.960 0.094 1
1 616 . 1 1 1 A 55 55 VAL CA C 116 68.036 67.301 0.735 1
1 617 . 1 1 1 A 55 55 VAL CB C 116 31.463 31.484 -0.021 1
1 620 . 1 1 1 A 55 55 VAL HA H 116 3.509 3.448 0.061 1
1 622 . 1 1 1 A 55 55 VAL H H 116 7.961 7.493 0.468 1
1 623 . 1 1 1 A 55 55 VAL N N 116 121.095 119.812 1.283 1
1 630 . 1 1 1 A 56 56 LYS CA C 117 59.077 59.765 -0.688 1
1 631 . 1 1 1 A 56 56 LYS CB C 117 31.997 32.609 -0.612 1
1 635 . 1 1 1 A 56 56 LYS HA H 117 4.297 3.968 0.329 1
1 638 . 1 1 1 A 56 56 LYS H H 117 8.000 7.742 0.258 1
1 639 . 1 1 1 A 56 56 LYS N N 117 118.806 118.797 0.009 1
1 643 . 1 1 1 A 57 57 LEU CA C 118 57.515 57.949 -0.434 1
1 644 . 1 1 1 A 57 57 LEU CB C 118 42.727 41.769 0.958 1
1 648 . 1 1 1 A 57 57 LEU HA H 118 4.286 3.898 0.388 1
1 652 . 1 1 1 A 57 57 LEU H H 118 8.390 8.470 -0.080 1
1 653 . 1 1 1 A 57 57 LEU N N 118 120.738 120.027 0.711 1
1 660 . 1 1 1 A 58 58 ALA CA C 119 55.695 55.435 0.260 1
1 661 . 1 1 1 A 58 58 ALA CB C 119 17.984 18.489 -0.505 1
1 662 . 1 1 1 A 58 58 ALA HA H 119 4.131 4.002 0.129 1
1 663 . 1 1 1 A 58 58 ALA H H 119 9.213 8.663 0.550 1
1 664 . 1 1 1 A 58 58 ALA N N 119 123.641 119.858 3.783 1
1 668 . 1 1 1 A 59 59 GLN CA C 120 60.234 59.264 0.970 1
1 669 . 1 1 1 A 59 59 GLN CB C 120 28.353 28.175 0.178 1
1 671 . 1 1 1 A 59 59 GLN HA H 120 3.972 3.990 -0.018 1
1 678 . 1 1 1 A 59 59 GLN H H 120 8.649 7.857 0.792 1
1 679 . 1 1 1 A 59 59 GLN N N 120 116.453 117.441 -0.988 1
1 681 . 1 1 1 A 60 60 THR CA C 121 66.360 67.357 -0.997 1
1 682 . 1 1 1 A 60 60 THR CB C 121 68.868 68.611 0.257 1
1 684 . 1 1 1 A 60 60 THR HA H 121 4.076 3.921 0.155 1
1 686 . 1 1 1 A 60 60 THR H H 121 8.566 8.338 0.228 1
1 687 . 1 1 1 A 60 60 THR N N 121 115.479 117.955 -2.476 1
1 691 . 1 1 1 A 61 61 ASN CA C 122 57.397 56.188 1.209 1
1 692 . 1 1 1 A 61 61 ASN CB C 122 39.535 38.438 1.097 1
1 693 . 1 1 1 A 61 61 ASN HA H 122 4.626 4.400 0.226 1
1 698 . 1 1 1 A 61 61 ASN H H 122 8.433 8.304 0.129 1
1 699 . 1 1 1 A 61 61 ASN N N 122 120.652 118.900 1.752 1
1 701 . 1 1 1 A 62 62 LEU CA C 123 58.804 58.387 0.417 1
1 702 . 1 1 1 A 62 62 LEU CB C 123 42.331 41.724 0.607 1
1 706 . 1 1 1 A 62 62 LEU HA H 123 4.068 4.020 0.048 1
1 710 . 1 1 1 A 62 62 LEU H H 123 8.837 8.337 0.500 1
1 711 . 1 1 1 A 62 62 LEU N N 123 121.425 117.380 4.045 1
1 718 . 1 1 1 A 63 63 ARG CA C 124 59.647 59.637 0.010 1
1 719 . 1 1 1 A 63 63 ARG CB C 124 30.112 30.165 -0.053 1
1 722 . 1 1 1 A 63 63 ARG HA H 124 4.030 3.898 0.132 1
1 727 . 1 1 1 A 63 63 ARG H H 124 7.502 7.903 -0.401 1
1 728 . 1 1 1 A 63 63 ARG N N 124 116.156 119.531 -3.375 1
1 730 . 1 1 1 A 64 64 ALA CA C 125 54.793 55.121 -0.328 1
1 731 . 1 1 1 A 64 64 ALA CB C 125 18.471 18.693 -0.222 1
1 732 . 1 1 1 A 64 64 ALA HA H 125 4.260 4.069 0.191 1
1 733 . 1 1 1 A 64 64 ALA H H 125 7.637 7.868 -0.231 1
1 734 . 1 1 1 A 64 64 ALA N N 125 121.808 122.169 -0.361 1
1 738 . 1 1 1 A 65 65 ILE CA C 126 64.917 64.701 0.216 1
1 739 . 1 1 1 A 65 65 ILE CB C 126 39.599 37.807 1.792 1
1 743 . 1 1 1 A 65 65 ILE HA H 126 3.745 3.703 0.042 1
1 747 . 1 1 1 A 65 65 ILE H H 126 8.476 7.468 1.008 1
1 748 . 1 1 1 A 65 65 ILE N N 126 117.948 117.168 0.780 1
1 755 . 1 1 1 A 66 66 ILE CA C 127 64.704 64.729 -0.025 1
1 756 . 1 1 1 A 66 66 ILE CB C 127 37.188 37.636 -0.448 1
1 760 . 1 1 1 A 66 66 ILE HA H 127 3.826 3.726 0.100 1
1 764 . 1 1 1 A 66 66 ILE H H 127 8.130 8.644 -0.514 1
1 765 . 1 1 1 A 66 66 ILE N N 127 118.919 119.336 -0.417 1
1 772 . 1 1 1 A 67 67 GLY CA C 128 46.401 46.883 -0.482 1
1 773 . 1 1 1 A 67 67 GLY HA2 H 128 4.437 3.977 0.460 1
1 774 . 1 1 1 A 67 67 GLY HA3 H 128 3.925 3.977 -0.052 1
1 775 . 1 1 1 A 67 67 GLY H H 128 7.683 7.884 -0.201 1
1 776 . 1 1 1 A 67 67 GLY N N 128 104.485 109.193 -4.708 1
1 777 . 1 1 1 A 68 68 GLU CA C 129 55.446 55.218 0.228 1
1 778 . 1 1 1 A 68 68 GLU CB C 129 30.672 31.380 -0.708 1
1 780 . 1 1 1 A 68 68 GLU HA H 129 4.589 4.915 -0.326 1
1 785 . 1 1 1 A 68 68 GLU H H 129 7.111 8.312 -1.201 1
1 786 . 1 1 1 A 68 68 GLU N N 129 115.084 116.568 -1.484 1
1 787 . 1 1 1 A 69 69 MET CA C 130 55.238 54.685 0.553 1
1 788 . 1 1 1 A 69 69 MET CB C 130 36.559 36.462 0.097 1
1 791 . 1 1 1 A 69 69 MET HA H 130 4.763 4.826 -0.063 1
1 796 . 1 1 1 A 69 69 MET H H 130 8.414 8.539 -0.125 1
1 797 . 1 1 1 A 69 69 MET N N 130 121.732 121.497 0.235 1
1 801 . 1 1 1 A 70 70 GLU CA C 131 56.474 54.504 1.970 1
1 802 . 1 1 1 A 70 70 GLU CB C 131 30.686 32.400 -1.714 1
1 804 . 1 1 1 A 70 70 GLU HA H 131 4.354 4.878 -0.524 1
1 809 . 1 1 1 A 70 70 GLU H H 131 9.395 8.633 0.762 1
1 810 . 1 1 1 A 70 70 GLU N N 131 122.754 119.537 3.217 1
1 811 . 1 1 1 A 71 71 LEU CA C 132 59.955 58.413 1.542 1
1 812 . 1 1 1 A 71 71 LEU CB C 132 40.900 41.918 -1.018 1
1 816 . 1 1 1 A 71 71 LEU HA H 132 4.454 3.964 0.490 1
1 820 . 1 1 1 A 71 71 LEU H H 132 10.320 8.813 1.507 1
1 821 . 1 1 1 A 71 71 LEU N N 132 127.791 128.121 -0.330 1
1 828 . 1 1 1 A 72 72 ASP CA C 133 57.961 56.774 1.187 1
1 829 . 1 1 1 A 72 72 ASP CB C 133 40.031 41.538 -1.507 1
1 830 . 1 1 1 A 72 72 ASP HA H 133 4.452 4.587 -0.135 1
1 831 . 1 1 1 A 72 72 ASP H H 133 9.283 7.915 1.368 1
1 832 . 1 1 1 A 72 72 ASP N N 133 117.573 118.537 -0.964 1
1 834 . 1 1 1 A 73 73 GLU CA C 134 58.070 59.047 -0.977 1
1 835 . 1 1 1 A 73 73 GLU CB C 134 30.329 29.828 0.501 1
1 837 . 1 1 1 A 73 73 GLU HA H 134 4.166 4.171 -0.005 1
1 842 . 1 1 1 A 73 73 GLU H H 134 7.307 8.310 -1.003 1
1 843 . 1 1 1 A 73 73 GLU N N 134 118.947 119.250 -0.303 1
1 844 . 1 1 1 A 74 74 THR CA C 135 67.017 65.627 1.390 1
1 845 . 1 1 1 A 74 74 THR CB C 135 68.224 68.094 0.130 1
1 847 . 1 1 1 A 74 74 THR HA H 135 3.966 4.046 -0.080 1
1 849 . 1 1 1 A 74 74 THR H H 135 8.334 8.435 -0.101 1
1 850 . 1 1 1 A 74 74 THR N N 135 116.702 114.610 2.092 1
1 854 . 1 1 1 A 75 75 LEU CA C 136 57.604 58.199 -0.595 1
1 855 . 1 1 1 A 75 75 LEU CB C 136 41.375 41.311 0.064 1
1 859 . 1 1 1 A 75 75 LEU HA H 136 4.164 4.008 0.156 1
1 863 . 1 1 1 A 75 75 LEU H H 136 8.159 7.684 0.475 1
1 864 . 1 1 1 A 75 75 LEU N N 136 118.009 119.284 -1.275 1
1 871 . 1 1 1 A 76 76 SER CA C 137 58.446 61.362 -2.916 1
1 872 . 1 1 1 A 76 76 SER CB C 137 63.709 62.179 1.530 1
1 873 . 1 1 1 A 76 76 SER HA H 137 4.808 4.123 0.685 1
1 876 . 1 1 1 A 76 76 SER H H 137 7.713 7.796 -0.083 1
1 877 . 1 1 1 A 76 76 SER N N 137 111.428 113.265 -1.837 1
1 878 . 1 1 1 A 77 77 GLY CA C 138 46.311 47.180 -0.869 1
1 879 . 1 1 1 A 77 77 GLY HA2 H 138 4.815 3.941 0.874 1
1 880 . 1 1 1 A 77 77 GLY HA3 H 138 3.860 3.941 -0.081 1
1 881 . 1 1 1 A 77 77 GLY H H 138 7.779 8.673 -0.894 1
1 882 . 1 1 1 A 77 77 GLY N N 138 112.185 108.684 3.501 1
1 883 . 1 1 1 A 78 78 ARG CA C 139 61.186 58.063 3.123 1
1 884 . 1 1 1 A 78 78 ARG CB C 139 29.871 30.242 -0.371 1
1 887 . 1 1 1 A 78 78 ARG HA H 139 3.853 4.202 -0.349 1
1 892 . 1 1 1 A 78 78 ARG H H 139 8.311 8.153 0.158 1
1 893 . 1 1 1 A 78 78 ARG N N 139 121.172 124.698 -3.526 1
1 895 . 1 1 1 A 79 79 ASP CA C 140 57.533 57.244 0.289 1
1 896 . 1 1 1 A 79 79 ASP CB C 140 39.905 40.952 -1.047 1
1 897 . 1 1 1 A 79 79 ASP HA H 140 4.630 4.422 0.208 1
1 900 . 1 1 1 A 79 79 ASP H H 140 8.749 8.105 0.644 1
1 901 . 1 1 1 A 79 79 ASP N N 140 114.843 120.195 -5.352 1
1 902 . 1 1 1 A 80 80 ILE CA C 141 63.732 65.440 -1.708 1
1 903 . 1 1 1 A 80 80 ILE CB C 141 38.239 37.894 0.345 1
1 907 . 1 1 1 A 80 80 ILE HA H 141 4.070 3.629 0.441 1
1 911 . 1 1 1 A 80 80 ILE H H 141 7.565 7.663 -0.098 1
1 912 . 1 1 1 A 80 80 ILE N N 141 121.986 119.312 2.674 1
1 919 . 1 1 1 A 81 81 ILE CA C 142 66.387 65.520 0.867 1
1 920 . 1 1 1 A 81 81 ILE CB C 142 38.194 37.628 0.566 1
1 924 . 1 1 1 A 81 81 ILE HA H 142 3.531 3.463 0.068 1
1 928 . 1 1 1 A 81 81 ILE H H 142 8.309 8.317 -0.008 1
1 929 . 1 1 1 A 81 81 ILE N N 142 121.735 120.534 1.201 1
1 936 . 1 1 1 A 82 82 ASN CA C 143 56.121 56.492 -0.371 1
1 937 . 1 1 1 A 82 82 ASN CB C 143 38.023 38.396 -0.373 1
1 938 . 1 1 1 A 82 82 ASN HA H 143 4.369 4.419 -0.050 1
1 941 . 1 1 1 A 82 82 ASN H H 143 8.919 8.231 0.688 1
1 942 . 1 1 1 A 82 82 ASN N N 143 118.128 118.643 -0.515 1
1 946 . 1 1 1 A 83 83 ALA CA C 144 55.230 55.371 -0.141 1
1 947 . 1 1 1 A 83 83 ALA CB C 144 18.378 18.582 -0.204 1
1 948 . 1 1 1 A 83 83 ALA HA H 144 4.310 4.070 0.240 1
1 949 . 1 1 1 A 83 83 ALA H H 144 7.687 8.163 -0.476 1
1 950 . 1 1 1 A 83 83 ALA N N 144 122.048 122.118 -0.070 1
1 954 . 1 1 1 A 84 84 ARG CA C 145 58.842 59.446 -0.604 1
1 955 . 1 1 1 A 84 84 ARG CB C 145 30.415 30.088 0.327 1
1 958 . 1 1 1 A 84 84 ARG HA H 145 4.297 3.883 0.414 1
1 963 . 1 1 1 A 84 84 ARG H H 145 8.579 8.036 0.543 1
1 964 . 1 1 1 A 84 84 ARG N N 145 119.430 117.902 1.528 1
1 966 . 1 1 1 A 85 85 LEU CA C 146 57.861 57.627 0.234 1
1 967 . 1 1 1 A 85 85 LEU CB C 146 41.584 41.624 -0.040 1
1 971 . 1 1 1 A 85 85 LEU HA H 146 4.054 3.945 0.109 1
1 975 . 1 1 1 A 85 85 LEU H H 146 9.083 7.730 1.353 1
1 976 . 1 1 1 A 85 85 LEU N N 146 119.149 120.690 -1.541 1
1 983 . 1 1 1 A 86 86 ARG CA C 147 60.723 59.790 0.933 1
1 984 . 1 1 1 A 86 86 ARG CB C 147 29.549 29.855 -0.306 1
1 987 . 1 1 1 A 86 86 ARG HA H 147 3.774 4.046 -0.272 1
1 992 . 1 1 1 A 86 86 ARG H H 147 7.971 8.376 -0.405 1
1 993 . 1 1 1 A 86 86 ARG N N 147 118.395 118.802 -0.407 1
1 995 . 1 1 1 A 87 87 GLU CA C 148 59.392 59.118 0.274 1
1 996 . 1 1 1 A 87 87 GLU CB C 148 29.740 29.778 -0.038 1
1 998 . 1 1 1 A 87 87 GLU HA H 148 4.120 4.152 -0.032 1
1 1003 . 1 1 1 A 87 87 GLU H H 148 7.895 8.254 -0.359 1
1 1004 . 1 1 1 A 87 87 GLU N N 148 116.934 118.605 -1.671 1
1 1005 . 1 1 1 A 88 88 GLU CA C 149 58.455 59.230 -0.775 1
1 1006 . 1 1 1 A 88 88 GLU CB C 149 29.306 29.625 -0.319 1
1 1008 . 1 1 1 A 88 88 GLU HA H 149 4.279 3.984 0.295 1
1 1013 . 1 1 1 A 88 88 GLU H H 149 8.228 8.398 -0.170 1
1 1014 . 1 1 1 A 88 88 GLU N N 149 116.458 120.397 -3.939 1
1 1015 . 1 1 1 A 89 89 LEU CA C 150 57.767 56.700 1.067 1
1 1016 . 1 1 1 A 89 89 LEU CB C 150 42.450 41.648 0.802 1
1 1020 . 1 1 1 A 89 89 LEU HA H 150 4.239 4.157 0.082 1
1 1024 . 1 1 1 A 89 89 LEU H H 150 8.401 8.288 0.113 1
1 1025 . 1 1 1 A 89 89 LEU N N 150 117.854 120.045 -2.191 1
1 1032 . 1 1 1 A 90 90 ASP CA C 151 56.503 56.607 -0.104 1
1 1033 . 1 1 1 A 90 90 ASP CB C 151 42.435 41.497 0.938 1
1 1034 . 1 1 1 A 90 90 ASP HA H 151 5.034 4.812 0.222 1
1 1037 . 1 1 1 A 90 90 ASP H H 151 8.524 8.429 0.095 1
1 1038 . 1 1 1 A 90 90 ASP N N 151 118.978 119.465 -0.487 1
1 1039 . 1 1 1 A 91 91 LYS CA C 152 58.455 58.788 -0.333 1
1 1040 . 1 1 1 A 91 91 LYS CB C 152 33.021 32.248 0.773 1
1 1044 . 1 1 1 A 91 91 LYS HA H 152 4.279 4.074 0.205 1
1 1049 . 1 1 1 A 91 91 LYS H H 152 7.348 8.186 -0.838 1
1 1050 . 1 1 1 A 91 91 LYS N N 152 114.172 116.907 -2.735 1
1 1053 . 1 1 1 A 92 92 ILE CA C 153 61.448 61.688 -0.240 1
1 1054 . 1 1 1 A 92 92 ILE CB C 153 39.068 38.157 0.911 1
1 1058 . 1 1 1 A 92 92 ILE HA H 153 4.427 3.902 0.525 1
1 1062 . 1 1 1 A 92 92 ILE H H 153 7.597 7.660 -0.063 1
1 1063 . 1 1 1 A 92 92 ILE N N 153 114.441 119.809 -5.368 1
1 1070 . 1 1 1 A 93 93 THR CA C 154 65.433 64.276 1.157 1
1 1071 . 1 1 1 A 93 93 THR CB C 154 67.799 69.343 -1.544 1
1 1073 . 1 1 1 A 93 93 THR HA H 154 3.879 4.087 -0.208 1
1 1075 . 1 1 1 A 93 93 THR H H 154 8.195 7.560 0.635 1
1 1076 . 1 1 1 A 93 93 THR N N 154 110.253 113.284 -3.031 1
1 1080 . 1 1 1 A 94 94 ASP CA C 155 57.822 57.432 0.390 1
1 1081 . 1 1 1 A 94 94 ASP CB C 155 41.397 41.216 0.181 1
1 1082 . 1 1 1 A 94 94 ASP HA H 155 4.514 4.349 0.165 1
1 1085 . 1 1 1 A 94 94 ASP H H 155 8.474 7.886 0.588 1
1 1086 . 1 1 1 A 94 94 ASP N N 155 124.348 122.651 1.697 1
1 1087 . 1 1 1 A 95 95 ARG CA C 156 57.783 59.040 -1.257 1
1 1088 . 1 1 1 A 95 95 ARG CB C 156 29.386 29.846 -0.460 1
1 1091 . 1 1 1 A 95 95 ARG HA H 156 4.173 4.074 0.099 1
1 1096 . 1 1 1 A 95 95 ARG H H 156 7.680 8.492 -0.812 1
1 1097 . 1 1 1 A 95 95 ARG N N 156 117.839 116.697 1.142 1
1 1099 . 1 1 1 A 96 96 TRP CB C 157 29.856 29.833 0.023 1
1 1105 . 1 1 1 A 96 96 TRP HA H 157 4.943 4.790 0.153 1
1 1112 . 1 1 1 A 96 96 TRP H H 157 7.880 7.786 0.094 1
1 1115 . 1 1 1 A 96 96 TRP N N 157 117.944 119.307 -1.363 1
1 1117 . 1 1 1 A 97 97 GLY CA C 158 46.688 46.995 -0.307 1
1 1118 . 1 1 1 A 97 97 GLY HA2 H 158 4.411 4.016 0.395 1
1 1119 . 1 1 1 A 97 97 GLY HA3 H 158 4.249 4.041 0.208 1
1 1120 . 1 1 1 A 97 97 GLY H H 158 7.972 8.001 -0.029 1
1 1121 . 1 1 1 A 97 97 GLY N N 158 104.253 109.751 -5.498 1
1 1122 . 1 1 1 A 98 98 VAL CA C 159 60.417 58.937 1.480 1
1 1123 . 1 1 1 A 98 98 VAL CB C 159 36.365 35.417 0.948 1
1 1126 . 1 1 1 A 98 98 VAL HA H 159 5.012 5.107 -0.095 1
1 1128 . 1 1 1 A 98 98 VAL H H 159 7.468 7.789 -0.321 1
1 1129 . 1 1 1 A 98 98 VAL N N 159 115.979 119.493 -3.514 1
1 1136 . 1 1 1 A 99 99 LYS CA C 160 53.521 54.519 -0.998 1
1 1137 . 1 1 1 A 99 99 LYS CB C 160 36.083 36.303 -0.220 1
1 1141 . 1 1 1 A 99 99 LYS HA H 160 5.053 5.100 -0.047 1
1 1148 . 1 1 1 A 99 99 LYS H H 160 9.259 8.615 0.644 1
1 1149 . 1 1 1 A 99 99 LYS N N 160 126.977 126.864 0.113 1
1 1151 . 1 1 1 A 100 100 ILE CB C 161 35.185 37.117 -1.932 1
1 1155 . 1 1 1 A 100 100 ILE HA H 161 4.896 4.549 0.347 1
1 1159 . 1 1 1 A 100 100 ILE H H 161 9.310 8.988 0.322 1
1 1160 . 1 1 1 A 100 100 ILE N N 161 127.468 127.160 0.308 1
1 1167 . 1 1 1 A 101 101 THR CA C 162 63.075 65.550 -2.475 1
1 1168 . 1 1 1 A 101 101 THR CB C 162 67.345 68.800 -1.455 1
1 1170 . 1 1 1 A 101 101 THR HA H 162 4.254 4.085 0.169 1
1 1172 . 1 1 1 A 101 101 THR H H 162 8.783 8.069 0.714 1
1 1173 . 1 1 1 A 101 101 THR N N 162 120.609 120.834 -0.225 1
1 1177 . 1 1 1 A 102 102 ARG CA C 163 55.929 54.915 1.014 1
1 1178 . 1 1 1 A 102 102 ARG CB C 163 32.468 32.298 0.170 1
1 1181 . 1 1 1 A 102 102 ARG HA H 163 4.606 4.675 -0.069 1
1 1188 . 1 1 1 A 102 102 ARG H H 163 7.669 7.678 -0.009 1
1 1189 . 1 1 1 A 102 102 ARG N N 163 118.258 118.236 0.022 1
1 1190 . 1 1 1 A 103 103 VAL CB C 164 35.090 36.023 -0.933 1
1 1193 . 1 1 1 A 103 103 VAL HA H 164 4.886 4.996 -0.110 1
1 1195 . 1 1 1 A 103 103 VAL H H 164 8.700 8.571 0.129 1
1 1196 . 1 1 1 A 103 103 VAL N N 164 122.135 114.982 7.153 1
1 1203 . 1 1 1 A 104 104 GLU CA C 165 54.469 54.431 0.038 1
1 1204 . 1 1 1 A 104 104 GLU CB C 165 33.028 34.263 -1.235 1
1 1206 . 1 1 1 A 104 104 GLU HA H 165 4.835 5.106 -0.271 1
1 1209 . 1 1 1 A 104 104 GLU H H 165 9.011 8.729 0.282 1
1 1210 . 1 1 1 A 104 104 GLU N N 165 123.789 122.926 0.863 1
1 1212 . 1 1 1 A 105 105 ILE CA C 166 61.576 59.685 1.891 1
1 1213 . 1 1 1 A 105 105 ILE CB C 166 37.908 40.635 -2.727 1
1 1217 . 1 1 1 A 105 105 ILE HA H 166 4.525 4.878 -0.353 1
1 1219 . 1 1 1 A 105 105 ILE H H 166 9.869 8.902 0.967 1
1 1220 . 1 1 1 A 105 105 ILE N N 166 130.058 123.248 6.810 1
1 1229 . 1 1 1 A 106 106 GLN CA C 167 55.964 54.249 1.715 1
1 1230 . 1 1 1 A 106 106 GLN CB C 167 28.789 30.645 -1.856 1
1 1232 . 1 1 1 A 106 106 GLN HA H 167 4.661 4.681 -0.020 1
1 1239 . 1 1 1 A 106 106 GLN H H 167 8.573 8.370 0.203 1
1 1240 . 1 1 1 A 106 106 GLN N N 167 127.576 125.207 2.369 1
1 1242 . 1 1 1 A 107 107 ARG CA C 168 56.113 57.472 -1.359 1
1 1243 . 1 1 1 A 107 107 ARG CB C 168 32.098 30.939 1.159 1
1 1246 . 1 1 1 A 107 107 ARG HA H 168 4.468 4.222 0.246 1
1 1251 . 1 1 1 A 107 107 ARG H H 168 8.762 8.426 0.336 1
1 1252 . 1 1 1 A 107 107 ARG N N 168 122.725 121.697 1.028 1
1 1254 . 1 1 1 A 108 108 ILE CA C 169 61.618 59.699 1.919 1
1 1255 . 1 1 1 A 108 108 ILE CB C 169 39.583 40.795 -1.212 1
1 1259 . 1 1 1 A 108 108 ILE HA H 169 4.451 4.762 -0.311 1
1 1263 . 1 1 1 A 108 108 ILE H H 169 7.996 8.341 -0.345 1
1 1264 . 1 1 1 A 108 108 ILE N N 169 120.383 123.257 -2.874 1
1 1271 . 1 1 1 A 109 109 ASP CA C 170 51.571 50.227 1.344 1
1 1272 . 1 1 1 A 109 109 ASP CB C 170 42.763 42.119 0.644 1
1 1273 . 1 1 1 A 109 109 ASP HA H 170 5.579 5.146 0.433 1
1 1276 . 1 1 1 A 109 109 ASP H H 170 9.067 8.453 0.614 1
1 1277 . 1 1 1 A 109 109 ASP N N 170 126.604 124.681 1.923 1
1 1278 . 1 1 1 A 110 110 PRO CA C 171 61.302 61.502 -0.200 1
1 1279 . 1 1 1 A 110 110 PRO CB C 171 30.857 31.668 -0.811 1
1 1282 . 1 1 1 A 110 110 PRO HA H 171 5.081 4.716 0.365 1
1 1288 . 1 1 1 A 111 111 PRO CA C 172 63.367 62.744 0.623 1
1 1289 . 1 1 1 A 111 111 PRO CB C 172 32.050 32.426 -0.376 1
1 1292 . 1 1 1 A 111 111 PRO HA H 172 4.568 4.506 0.062 1
1 1298 . 1 1 1 A 112 112 LYS CA C 173 55.951 56.023 -0.072 1
1 1299 . 1 1 1 A 112 112 LYS CB C 173 33.412 32.946 0.466 1
1 1303 . 1 1 1 A 112 112 LYS HA H 173 4.465 4.274 0.191 1
1 1306 . 1 1 1 A 112 112 LYS H H 173 8.533 8.296 0.237 1
1 1307 . 1 1 1 A 112 112 LYS N N 173 122.499 118.645 3.854 1
1 1 . 2 1 1 A 2 2 SER HA H 63 4.660 4.777 -0.117 1
1 4 . 2 1 1 A 2 2 SER CB C 63 63.645 64.624 -0.979 1
1 5 . 2 1 1 A 3 3 ASP HA H 64 4.688 4.754 -0.066 1
1 8 . 2 1 1 A 3 3 ASP H H 64 8.603 8.748 -0.145 1
1 9 . 2 1 1 A 3 3 ASP CA C 64 54.354 55.926 -1.572 1
1 10 . 2 1 1 A 3 3 ASP CB C 64 40.980 42.037 -1.057 1
1 11 . 2 1 1 A 3 3 ASP N N 64 122.069 122.484 -0.415 1
1 12 . 2 1 1 A 4 4 HIS HA H 65 4.735 4.660 0.075 1
1 17 . 2 1 1 A 4 4 HIS H H 65 8.354 7.959 0.395 1
1 18 . 2 1 1 A 4 4 HIS CA C 65 56.220 55.992 0.228 1
1 19 . 2 1 1 A 4 4 HIS CB C 65 30.570 29.860 0.710 1
1 22 . 2 1 1 A 4 4 HIS N N 65 119.219 118.270 0.949 1
1 29 . 2 1 1 A 5 5 VAL HA H 66 4.183 4.564 -0.381 1
1 31 . 2 1 1 A 5 5 VAL H H 66 8.073 8.959 -0.886 1
1 32 . 2 1 1 A 5 5 VAL CA C 66 62.127 61.167 0.960 1
1 33 . 2 1 1 A 5 5 VAL CB C 66 32.960 33.864 -0.904 1
1 36 . 2 1 1 A 5 5 VAL N N 66 121.775 127.986 -6.211 1
1 37 . 2 1 1 A 6 6 ASP CA C 67 53.727 51.987 1.740 1
1 38 . 2 1 1 A 6 6 ASP CB C 67 41.472 44.652 -3.180 1
1 39 . 2 1 1 A 6 6 ASP HA H 67 4.771 5.414 -0.643 1
1 42 . 2 1 1 A 6 6 ASP H H 67 8.615 8.910 -0.295 1
1 43 . 2 1 1 A 6 6 ASP N N 67 124.725 125.847 -1.122 1
1 44 . 2 1 1 A 7 7 LEU CA C 68 54.586 53.998 0.588 1
1 45 . 2 1 1 A 7 7 LEU CB C 68 41.657 41.795 -0.138 1
1 49 . 2 1 1 A 7 7 LEU HA H 68 4.556 4.529 0.027 1
1 53 . 2 1 1 A 7 7 LEU H H 68 8.441 8.588 -0.147 1
1 54 . 2 1 1 A 7 7 LEU N N 68 123.747 123.734 0.013 1
1 61 . 2 1 1 A 8 8 ARG CA C 69 56.247 56.720 -0.473 1
1 62 . 2 1 1 A 8 8 ARG CB C 69 30.828 30.492 0.336 1
1 65 . 2 1 1 A 8 8 ARG HA H 69 4.253 3.999 0.254 1
1 70 . 2 1 1 A 8 8 ARG H H 69 8.209 7.353 0.856 1
1 71 . 2 1 1 A 8 8 ARG N N 69 121.063 120.830 0.233 1
1 73 . 2 1 1 A 9 9 GLU CA C 70 55.691 56.678 -0.987 1
1 74 . 2 1 1 A 9 9 GLU CB C 70 31.777 30.153 1.624 1
1 76 . 2 1 1 A 9 9 GLU HA H 70 4.655 4.097 0.558 1
1 79 . 2 1 1 A 9 9 GLU H H 70 8.338 8.437 -0.099 1
1 80 . 2 1 1 A 9 9 GLU N N 70 121.677 123.376 -1.699 1
1 82 . 2 1 1 A 10 10 HIS CA C 71 54.619 54.084 0.535 1
1 83 . 2 1 1 A 10 10 HIS CB C 71 32.189 31.684 0.505 1
1 86 . 2 1 1 A 10 10 HIS HA H 71 4.716 4.691 0.025 1
1 91 . 2 1 1 A 10 10 HIS H H 71 9.043 8.851 0.192 1
1 92 . 2 1 1 A 10 10 HIS N N 71 125.575 119.001 6.574 1
1 93 . 2 1 1 A 11 11 VAL CA C 72 60.567 60.278 0.289 1
1 94 . 2 1 1 A 11 11 VAL CB C 72 35.380 33.897 1.483 1
1 97 . 2 1 1 A 11 11 VAL HA H 72 4.951 4.631 0.320 1
1 99 . 2 1 1 A 11 11 VAL H H 72 8.218 8.874 -0.656 1
1 100 . 2 1 1 A 11 11 VAL N N 72 117.348 123.366 -6.018 1
1 107 . 2 1 1 A 12 12 ILE CA C 73 59.857 60.214 -0.357 1
1 108 . 2 1 1 A 12 12 ILE CB C 73 41.969 39.260 2.709 1
1 112 . 2 1 1 A 12 12 ILE HA H 73 4.464 4.954 -0.490 1
1 116 . 2 1 1 A 12 12 ILE H H 73 9.272 9.204 0.068 1
1 117 . 2 1 1 A 12 12 ILE N N 73 126.908 130.509 -3.601 1
1 124 . 2 1 1 A 13 13 ASP CB C 74 41.534 41.409 0.125 1
1 125 . 2 1 1 A 13 13 ASP HA H 74 4.885 4.999 -0.114 1
1 128 . 2 1 1 A 13 13 ASP H H 74 8.501 8.959 -0.458 1
1 129 . 2 1 1 A 13 13 ASP N N 74 126.253 128.283 -2.030 1
1 130 . 2 1 1 A 14 14 VAL CA C 75 59.550 59.001 0.549 1
1 131 . 2 1 1 A 14 14 VAL CB C 75 32.270 33.842 -1.572 1
1 134 . 2 1 1 A 14 14 VAL HA H 75 4.491 4.792 -0.301 1
1 136 . 2 1 1 A 14 14 VAL H H 75 8.758 9.030 -0.272 1
1 137 . 2 1 1 A 14 14 VAL N N 75 124.997 124.853 0.144 1
1 144 . 2 1 1 A 15 15 PRO CB C 76 30.981 31.684 -0.703 1
1 147 . 2 1 1 A 15 15 PRO HA H 76 4.837 4.689 0.148 1
1 153 . 2 1 1 A 16 16 PRO CB C 77 32.267 33.169 -0.902 1
1 156 . 2 1 1 A 16 16 PRO HA H 77 4.881 4.948 -0.067 1
1 162 . 2 1 1 A 17 17 GLN CA C 78 53.332 55.032 -1.700 1
1 163 . 2 1 1 A 17 17 GLN CB C 78 33.352 32.193 1.159 1
1 165 . 2 1 1 A 17 17 GLN HA H 78 4.768 4.691 0.077 1
1 170 . 2 1 1 A 17 17 GLN H H 78 8.612 8.601 0.011 1
1 171 . 2 1 1 A 17 17 GLN N N 78 119.550 121.390 -1.840 1
1 175 . 2 1 1 A 18 18 GLU CA C 79 55.955 56.216 -0.261 1
1 176 . 2 1 1 A 18 18 GLU CB C 79 30.087 30.509 -0.422 1
1 178 . 2 1 1 A 18 18 GLU HA H 79 5.070 4.726 0.344 1
1 183 . 2 1 1 A 18 18 GLU H H 79 8.626 8.834 -0.208 1
1 184 . 2 1 1 A 18 18 GLU N N 79 123.226 125.852 -2.626 1
1 185 . 2 1 1 A 19 19 VAL CA C 80 60.191 58.951 1.240 1
1 186 . 2 1 1 A 19 19 VAL CB C 80 34.901 35.520 -0.619 1
1 189 . 2 1 1 A 19 19 VAL HA H 80 4.562 4.854 -0.292 1
1 191 . 2 1 1 A 19 19 VAL H H 80 9.568 8.317 1.251 1
1 192 . 2 1 1 A 19 19 VAL N N 80 123.365 117.744 5.621 1
1 199 . 2 1 1 A 20 20 ILE CA C 81 60.810 60.898 -0.088 1
1 200 . 2 1 1 A 20 20 ILE CB C 81 39.198 37.655 1.543 1
1 204 . 2 1 1 A 20 20 ILE HA H 81 4.678 4.274 0.404 1
1 208 . 2 1 1 A 20 20 ILE H H 81 8.048 8.662 -0.614 1
1 209 . 2 1 1 A 20 20 ILE N N 81 122.564 123.874 -1.310 1
1 216 . 2 1 1 A 21 21 CYS CB C 82 29.386 28.731 0.655 1
1 217 . 2 1 1 A 21 21 CYS HA H 82 4.932 4.461 0.471 1
1 220 . 2 1 1 A 21 21 CYS H H 82 8.796 8.743 0.053 1
1 221 . 2 1 1 A 21 21 CYS N N 82 125.960 126.676 -0.716 1
1 222 . 2 1 1 A 22 22 LYS CA C 83 59.330 58.948 0.382 1
1 223 . 2 1 1 A 22 22 LYS CB C 83 33.478 32.448 1.030 1
1 227 . 2 1 1 A 22 22 LYS HA H 83 4.096 4.032 0.064 1
1 234 . 2 1 1 A 22 22 LYS H H 83 8.735 8.575 0.160 1
1 235 . 2 1 1 A 22 22 LYS N N 83 123.785 125.206 -1.421 1
1 237 . 2 1 1 A 23 23 ASP CA C 84 53.011 53.182 -0.171 1
1 238 . 2 1 1 A 23 23 ASP CB C 84 38.642 40.683 -2.041 1
1 239 . 2 1 1 A 23 23 ASP HA H 84 4.694 4.770 -0.076 1
1 242 . 2 1 1 A 23 23 ASP H H 84 8.667 7.733 0.934 1
1 243 . 2 1 1 A 23 23 ASP N N 84 112.676 117.959 -5.283 1
1 244 . 2 1 1 A 24 24 ASN CA C 85 54.989 54.481 0.508 1
1 245 . 2 1 1 A 24 24 ASN CB C 85 36.698 36.638 0.060 1
1 246 . 2 1 1 A 24 24 ASN HA H 85 4.321 4.276 0.045 1
1 251 . 2 1 1 A 24 24 ASN H H 85 8.264 7.648 0.616 1
1 252 . 2 1 1 A 24 24 ASN N N 85 112.321 114.491 -2.170 1
1 254 . 2 1 1 A 25 25 VAL CA C 86 61.920 61.168 0.752 1
1 255 . 2 1 1 A 25 25 VAL CB C 86 33.581 33.092 0.489 1
1 258 . 2 1 1 A 25 25 VAL HA H 86 4.247 4.425 -0.178 1
1 260 . 2 1 1 A 25 25 VAL H H 86 6.817 7.622 -0.805 1
1 261 . 2 1 1 A 25 25 VAL N N 86 117.663 118.656 -0.993 1
1 268 . 2 1 1 A 26 26 VAL CA C 87 62.127 62.115 0.012 1
1 269 . 2 1 1 A 26 26 VAL CB C 87 32.468 32.038 0.430 1
1 272 . 2 1 1 A 26 26 VAL HA H 87 4.710 4.426 0.284 1
1 274 . 2 1 1 A 26 26 VAL H H 87 8.467 8.713 -0.246 1
1 275 . 2 1 1 A 26 26 VAL N N 87 128.149 129.384 -1.235 1
1 282 . 2 1 1 A 27 27 VAL CA C 88 58.409 59.084 -0.675 1
1 283 . 2 1 1 A 27 27 VAL CB C 88 34.991 35.864 -0.873 1
1 286 . 2 1 1 A 27 27 VAL HA H 88 4.995 4.914 0.081 1
1 288 . 2 1 1 A 27 27 VAL H H 88 8.983 8.357 0.626 1
1 289 . 2 1 1 A 27 27 VAL N N 88 119.421 122.383 -2.962 1
1 296 . 2 1 1 A 28 28 THR CA C 89 62.180 62.566 -0.386 1
1 297 . 2 1 1 A 28 28 THR CB C 89 69.351 69.799 -0.448 1
1 299 . 2 1 1 A 28 28 THR HA H 89 5.249 4.726 0.523 1
1 301 . 2 1 1 A 28 28 THR H H 89 8.544 8.750 -0.206 1
1 302 . 2 1 1 A 28 28 THR N N 89 118.810 119.368 -0.558 1
1 306 . 2 1 1 A 29 29 VAL CA C 90 58.826 59.540 -0.714 1
1 307 . 2 1 1 A 29 29 VAL CB C 90 36.035 35.844 0.191 1
1 310 . 2 1 1 A 29 29 VAL HA H 90 5.527 5.031 0.496 1
1 312 . 2 1 1 A 29 29 VAL H H 90 8.818 8.413 0.405 1
1 313 . 2 1 1 A 29 29 VAL N N 90 123.670 126.067 -2.397 1
1 320 . 2 1 1 A 30 30 ASP CA C 91 52.821 54.000 -1.179 1
1 321 . 2 1 1 A 30 30 ASP CB C 91 42.960 44.773 -1.813 1
1 322 . 2 1 1 A 30 30 ASP HA H 91 4.785 5.233 -0.448 1
1 325 . 2 1 1 A 30 30 ASP H H 91 8.478 8.726 -0.248 1
1 326 . 2 1 1 A 30 30 ASP N N 91 125.411 126.291 -0.880 1
1 327 . 2 1 1 A 31 31 ALA CA C 92 51.718 51.294 0.424 1
1 328 . 2 1 1 A 31 31 ALA CB C 92 22.216 23.368 -1.152 1
1 329 . 2 1 1 A 31 31 ALA HA H 92 5.268 4.968 0.300 1
1 330 . 2 1 1 A 31 31 ALA H H 92 8.075 8.313 -0.238 1
1 331 . 2 1 1 A 31 31 ALA N N 92 116.806 125.451 -8.645 1
1 335 . 2 1 1 A 32 32 VAL CB C 93 34.772 33.672 1.100 1
1 338 . 2 1 1 A 32 32 VAL HA H 93 4.901 4.902 -0.001 1
1 340 . 2 1 1 A 32 32 VAL H H 93 8.306 8.530 -0.224 1
1 341 . 2 1 1 A 32 32 VAL N N 93 117.482 115.926 1.556 1
1 348 . 2 1 1 A 33 33 VAL CA C 94 61.058 61.358 -0.300 1
1 349 . 2 1 1 A 33 33 VAL CB C 94 34.773 34.973 -0.200 1
1 352 . 2 1 1 A 33 33 VAL HA H 94 4.515 4.592 -0.077 1
1 354 . 2 1 1 A 33 33 VAL H H 94 8.873 8.730 0.143 1
1 355 . 2 1 1 A 33 33 VAL N N 94 124.653 121.716 2.937 1
1 362 . 2 1 1 A 34 34 TYR CA C 95 56.333 58.570 -2.237 1
1 363 . 2 1 1 A 34 34 TYR CB C 95 40.336 40.205 0.131 1
1 366 . 2 1 1 A 34 34 TYR HA H 95 5.834 5.341 0.493 1
1 371 . 2 1 1 A 34 34 TYR H H 95 8.989 8.786 0.203 1
1 372 . 2 1 1 A 34 34 TYR N N 95 126.081 126.806 -0.725 1
1 375 . 2 1 1 A 35 35 TYR CA C 96 55.679 56.634 -0.955 1
1 376 . 2 1 1 A 35 35 TYR CB C 96 42.824 41.376 1.448 1
1 379 . 2 1 1 A 35 35 TYR HA H 96 6.097 5.676 0.421 1
1 384 . 2 1 1 A 35 35 TYR H H 96 9.102 8.393 0.709 1
1 385 . 2 1 1 A 35 35 TYR N N 96 117.188 118.839 -1.651 1
1 388 . 2 1 1 A 36 36 GLN CB C 97 33.643 32.367 1.276 1
1 390 . 2 1 1 A 36 36 GLN HA H 97 4.942 4.965 -0.023 1
1 395 . 2 1 1 A 36 36 GLN H H 97 9.441 8.687 0.754 1
1 396 . 2 1 1 A 36 36 GLN N N 97 118.000 119.663 -1.663 1
1 399 . 2 1 1 A 37 37 VAL CA C 98 63.621 63.248 0.373 1
1 400 . 2 1 1 A 37 37 VAL CB C 98 31.380 30.773 0.607 1
1 403 . 2 1 1 A 37 37 VAL HA H 98 4.286 4.079 0.207 1
1 405 . 2 1 1 A 37 37 VAL H H 98 9.692 9.011 0.681 1
1 406 . 2 1 1 A 37 37 VAL N N 98 126.436 123.335 3.101 1
1 413 . 2 1 1 A 38 38 ILE CA C 99 61.011 62.753 -1.742 1
1 414 . 2 1 1 A 38 38 ILE CB C 99 38.943 38.101 0.842 1
1 418 . 2 1 1 A 38 38 ILE HA H 99 4.514 4.096 0.418 1
1 422 . 2 1 1 A 38 38 ILE H H 99 8.540 8.028 0.512 1
1 423 . 2 1 1 A 38 38 ILE N N 99 123.480 124.899 -1.419 1
1 430 . 2 1 1 A 39 39 ASP CA C 100 50.850 50.866 -0.016 1
1 431 . 2 1 1 A 39 39 ASP CB C 100 41.979 42.683 -0.704 1
1 432 . 2 1 1 A 39 39 ASP HA H 100 5.326 5.046 0.280 1
1 435 . 2 1 1 A 39 39 ASP H H 100 8.135 7.616 0.519 1
1 436 . 2 1 1 A 39 39 ASP N N 100 119.056 121.887 -2.831 1
1 437 . 2 1 1 A 40 40 PRO CA C 101 64.279 64.598 -0.319 1
1 438 . 2 1 1 A 40 40 PRO CB C 101 32.510 32.106 0.404 1
1 441 . 2 1 1 A 40 40 PRO HA H 101 4.299 4.279 0.020 1
1 448 . 2 1 1 A 41 41 VAL CA C 102 65.120 66.022 -0.902 1
1 449 . 2 1 1 A 41 41 VAL CB C 102 31.406 31.671 -0.265 1
1 452 . 2 1 1 A 41 41 VAL HA H 102 3.886 3.713 0.173 1
1 454 . 2 1 1 A 41 41 VAL H H 102 7.936 7.317 0.619 1
1 455 . 2 1 1 A 41 41 VAL N N 102 118.168 116.465 1.703 1
1 462 . 2 1 1 A 42 42 LYS CA C 103 57.852 59.383 -1.531 1
1 463 . 2 1 1 A 42 42 LYS CB C 103 33.597 32.329 1.268 1
1 467 . 2 1 1 A 42 42 LYS HA H 103 4.242 4.151 0.091 1
1 472 . 2 1 1 A 42 42 LYS H H 103 7.240 8.063 -0.823 1
1 473 . 2 1 1 A 42 42 LYS N N 103 118.280 119.192 -0.912 1
1 476 . 2 1 1 A 43 43 ALA CA C 104 53.615 51.590 2.025 1
1 477 . 2 1 1 A 43 43 ALA CB C 104 18.578 17.682 0.896 1
1 478 . 2 1 1 A 43 43 ALA HA H 104 4.632 4.322 0.310 1
1 479 . 2 1 1 A 43 43 ALA H H 104 7.702 7.466 0.236 1
1 480 . 2 1 1 A 43 43 ALA N N 104 122.122 120.499 1.623 1
1 484 . 2 1 1 A 44 44 VAL CA C 105 62.530 61.691 0.839 1
1 485 . 2 1 1 A 44 44 VAL CB C 105 31.680 31.977 -0.297 1
1 488 . 2 1 1 A 44 44 VAL HA H 105 4.197 4.265 -0.068 1
1 490 . 2 1 1 A 44 44 VAL H H 105 7.682 7.727 -0.045 1
1 491 . 2 1 1 A 44 44 VAL N N 105 115.037 118.879 -3.842 1
1 498 . 2 1 1 A 45 45 TYR CA C 106 57.222 56.978 0.244 1
1 499 . 2 1 1 A 45 45 TYR CB C 106 38.651 37.845 0.806 1
1 502 . 2 1 1 A 45 45 TYR HA H 106 4.652 4.783 -0.131 1
1 505 . 2 1 1 A 45 45 TYR H H 106 7.436 7.434 0.002 1
1 506 . 2 1 1 A 45 45 TYR N N 106 118.804 120.340 -1.536 1
1 510 . 2 1 1 A 46 46 ASN CB C 107 39.028 37.043 1.985 1
1 511 . 2 1 1 A 46 46 ASN HA H 107 4.959 4.368 0.591 1
1 516 . 2 1 1 A 46 46 ASN H H 107 8.614 8.065 0.549 1
1 517 . 2 1 1 A 46 46 ASN N N 107 118.495 113.525 4.970 1
1 519 . 2 1 1 A 47 47 VAL CA C 108 65.178 63.037 2.141 1
1 520 . 2 1 1 A 47 47 VAL CB C 108 32.022 29.499 2.523 1
1 523 . 2 1 1 A 47 47 VAL HA H 108 3.952 3.658 0.294 1
1 525 . 2 1 1 A 47 47 VAL H H 108 8.342 8.065 0.277 1
1 526 . 2 1 1 A 47 47 VAL N N 108 123.377 118.011 5.366 1
1 533 . 2 1 1 A 48 48 SER CA C 109 61.473 61.658 -0.185 1
1 534 . 2 1 1 A 48 48 SER CB C 109 62.248 64.005 -1.757 1
1 535 . 2 1 1 A 48 48 SER HA H 109 4.298 4.438 -0.140 1
1 536 . 2 1 1 A 48 48 SER H H 109 8.353 7.959 0.394 1
1 537 . 2 1 1 A 48 48 SER N N 109 116.439 116.271 0.168 1
1 539 . 2 1 1 A 49 49 ASP CA C 110 56.211 57.200 -0.989 1
1 540 . 2 1 1 A 49 49 ASP CB C 110 40.691 40.272 0.419 1
1 541 . 2 1 1 A 49 49 ASP HA H 110 4.534 4.177 0.357 1
1 542 . 2 1 1 A 49 49 ASP H H 110 7.832 8.261 -0.429 1
1 543 . 2 1 1 A 49 49 ASP N N 110 121.141 122.132 -0.991 1
1 545 . 2 1 1 A 50 50 PHE CA C 111 60.009 61.123 -1.114 1
1 546 . 2 1 1 A 50 50 PHE CB C 111 38.598 39.562 -0.964 1
1 550 . 2 1 1 A 50 50 PHE HA H 111 3.486 3.972 -0.486 1
1 555 . 2 1 1 A 50 50 PHE H H 111 8.044 8.214 -0.170 1
1 557 . 2 1 1 A 50 50 PHE N N 111 122.621 121.465 1.156 1
1 560 . 2 1 1 A 51 51 LEU CA C 112 58.009 58.057 -0.048 1
1 561 . 2 1 1 A 51 51 LEU CB C 112 41.213 41.665 -0.452 1
1 565 . 2 1 1 A 51 51 LEU HA H 112 3.546 3.629 -0.083 1
1 569 . 2 1 1 A 51 51 LEU H H 112 8.046 8.314 -0.268 1
1 570 . 2 1 1 A 51 51 LEU N N 112 119.691 120.419 -0.728 1
1 577 . 2 1 1 A 52 52 MET CA C 113 57.696 57.511 0.185 1
1 578 . 2 1 1 A 52 52 MET CB C 113 32.289 31.507 0.782 1
1 581 . 2 1 1 A 52 52 MET HA H 113 4.231 4.186 0.045 1
1 586 . 2 1 1 A 52 52 MET H H 113 7.563 8.337 -0.774 1
1 587 . 2 1 1 A 52 52 MET N N 113 115.770 116.972 -1.202 1
1 591 . 2 1 1 A 53 53 ALA CA C 114 54.815 54.254 0.561 1
1 592 . 2 1 1 A 53 53 ALA CB C 114 18.369 19.393 -1.024 1
1 593 . 2 1 1 A 53 53 ALA HA H 114 4.199 4.330 -0.131 1
1 594 . 2 1 1 A 53 53 ALA H H 114 7.878 7.529 0.349 1
1 595 . 2 1 1 A 53 53 ALA N N 114 121.804 122.730 -0.926 1
1 599 . 2 1 1 A 54 54 ILE CA C 115 63.259 64.837 -1.578 1
1 600 . 2 1 1 A 54 54 ILE CB C 115 36.127 37.604 -1.477 1
1 604 . 2 1 1 A 54 54 ILE HA H 115 3.767 3.586 0.181 1
1 608 . 2 1 1 A 54 54 ILE H H 115 8.202 8.160 0.042 1
1 609 . 2 1 1 A 54 54 ILE N N 115 118.054 118.132 -0.078 1
1 616 . 2 1 1 A 55 55 VAL CA C 116 68.036 65.225 2.811 1
1 617 . 2 1 1 A 55 55 VAL CB C 116 31.463 31.356 0.107 1
1 620 . 2 1 1 A 55 55 VAL HA H 116 3.509 3.885 -0.376 1
1 622 . 2 1 1 A 55 55 VAL H H 116 7.961 7.315 0.646 1
1 623 . 2 1 1 A 55 55 VAL N N 116 121.095 116.309 4.786 1
1 630 . 2 1 1 A 56 56 LYS CA C 117 59.077 57.203 1.874 1
1 631 . 2 1 1 A 56 56 LYS CB C 117 31.997 32.459 -0.462 1
1 635 . 2 1 1 A 56 56 LYS HA H 117 4.297 4.205 0.092 1
1 638 . 2 1 1 A 56 56 LYS H H 117 8.000 8.093 -0.093 1
1 639 . 2 1 1 A 56 56 LYS N N 117 118.806 120.764 -1.958 1
1 643 . 2 1 1 A 57 57 LEU CA C 118 57.515 57.182 0.333 1
1 644 . 2 1 1 A 57 57 LEU CB C 118 42.727 41.656 1.071 1
1 648 . 2 1 1 A 57 57 LEU HA H 118 4.286 4.187 0.099 1
1 652 . 2 1 1 A 57 57 LEU H H 118 8.390 7.829 0.561 1
1 653 . 2 1 1 A 57 57 LEU N N 118 120.738 118.191 2.547 1
1 660 . 2 1 1 A 58 58 ALA CA C 119 55.695 55.203 0.492 1
1 661 . 2 1 1 A 58 58 ALA CB C 119 17.984 17.762 0.222 1
1 662 . 2 1 1 A 58 58 ALA HA H 119 4.131 4.030 0.101 1
1 663 . 2 1 1 A 58 58 ALA H H 119 9.213 8.126 1.087 1
1 664 . 2 1 1 A 58 58 ALA N N 119 123.641 122.346 1.295 1
1 668 . 2 1 1 A 59 59 GLN CA C 120 60.234 59.022 1.212 1
1 669 . 2 1 1 A 59 59 GLN CB C 120 28.353 28.196 0.157 1
1 671 . 2 1 1 A 59 59 GLN HA H 120 3.972 4.028 -0.056 1
1 678 . 2 1 1 A 59 59 GLN H H 120 8.649 8.041 0.608 1
1 679 . 2 1 1 A 59 59 GLN N N 120 116.453 118.195 -1.742 1
1 681 . 2 1 1 A 60 60 THR CA C 121 66.360 66.439 -0.079 1
1 682 . 2 1 1 A 60 60 THR CB C 121 68.868 69.152 -0.284 1
1 684 . 2 1 1 A 60 60 THR HA H 121 4.076 4.006 0.070 1
1 686 . 2 1 1 A 60 60 THR H H 121 8.566 7.723 0.843 1
1 687 . 2 1 1 A 60 60 THR N N 121 115.479 116.728 -1.249 1
1 691 . 2 1 1 A 61 61 ASN CA C 122 57.397 56.174 1.223 1
1 692 . 2 1 1 A 61 61 ASN CB C 122 39.535 38.366 1.169 1
1 693 . 2 1 1 A 61 61 ASN HA H 122 4.626 4.354 0.272 1
1 698 . 2 1 1 A 61 61 ASN H H 122 8.433 8.258 0.175 1
1 699 . 2 1 1 A 61 61 ASN N N 122 120.652 118.962 1.690 1
1 701 . 2 1 1 A 62 62 LEU CA C 123 58.804 58.364 0.440 1
1 702 . 2 1 1 A 62 62 LEU CB C 123 42.331 41.731 0.600 1
1 706 . 2 1 1 A 62 62 LEU HA H 123 4.068 4.007 0.061 1
1 710 . 2 1 1 A 62 62 LEU H H 123 8.837 8.484 0.353 1
1 711 . 2 1 1 A 62 62 LEU N N 123 121.425 117.415 4.010 1
1 718 . 2 1 1 A 63 63 ARG CA C 124 59.647 59.625 0.022 1
1 719 . 2 1 1 A 63 63 ARG CB C 124 30.112 30.138 -0.026 1
1 722 . 2 1 1 A 63 63 ARG HA H 124 4.030 3.896 0.134 1
1 727 . 2 1 1 A 63 63 ARG H H 124 7.502 8.187 -0.685 1
1 728 . 2 1 1 A 63 63 ARG N N 124 116.156 119.673 -3.517 1
1 730 . 2 1 1 A 64 64 ALA CA C 125 54.793 55.133 -0.340 1
1 731 . 2 1 1 A 64 64 ALA CB C 125 18.471 18.936 -0.465 1
1 732 . 2 1 1 A 64 64 ALA HA H 125 4.260 4.060 0.200 1
1 733 . 2 1 1 A 64 64 ALA H H 125 7.637 7.801 -0.164 1
1 734 . 2 1 1 A 64 64 ALA N N 125 121.808 122.220 -0.412 1
1 738 . 2 1 1 A 65 65 ILE CA C 126 64.917 64.920 -0.003 1
1 739 . 2 1 1 A 65 65 ILE CB C 126 39.599 37.793 1.806 1
1 743 . 2 1 1 A 65 65 ILE HA H 126 3.745 3.708 0.037 1
1 747 . 2 1 1 A 65 65 ILE H H 126 8.476 7.464 1.012 1
1 748 . 2 1 1 A 65 65 ILE N N 126 117.948 117.089 0.859 1
1 755 . 2 1 1 A 66 66 ILE CA C 127 64.704 64.859 -0.155 1
1 756 . 2 1 1 A 66 66 ILE CB C 127 37.188 37.864 -0.676 1
1 760 . 2 1 1 A 66 66 ILE HA H 127 3.826 3.731 0.095 1
1 764 . 2 1 1 A 66 66 ILE H H 127 8.130 8.541 -0.411 1
1 765 . 2 1 1 A 66 66 ILE N N 127 118.919 119.258 -0.339 1
1 772 . 2 1 1 A 67 67 GLY CA C 128 46.401 46.889 -0.488 1
1 773 . 2 1 1 A 67 67 GLY HA2 H 128 4.437 3.963 0.474 1
1 774 . 2 1 1 A 67 67 GLY HA3 H 128 3.925 3.963 -0.038 1
1 775 . 2 1 1 A 67 67 GLY H H 128 7.683 7.932 -0.249 1
1 776 . 2 1 1 A 67 67 GLY N N 128 104.485 109.168 -4.683 1
1 777 . 2 1 1 A 68 68 GLU CA C 129 55.446 55.139 0.307 1
1 778 . 2 1 1 A 68 68 GLU CB C 129 30.672 31.485 -0.813 1
1 780 . 2 1 1 A 68 68 GLU HA H 129 4.589 4.936 -0.347 1
1 785 . 2 1 1 A 68 68 GLU H H 129 7.111 8.105 -0.994 1
1 786 . 2 1 1 A 68 68 GLU N N 129 115.084 116.404 -1.320 1
1 787 . 2 1 1 A 69 69 MET CA C 130 55.238 54.669 0.569 1
1 788 . 2 1 1 A 69 69 MET CB C 130 36.559 36.660 -0.101 1
1 791 . 2 1 1 A 69 69 MET HA H 130 4.763 4.841 -0.078 1
1 796 . 2 1 1 A 69 69 MET H H 130 8.414 8.637 -0.223 1
1 797 . 2 1 1 A 69 69 MET N N 130 121.732 121.440 0.292 1
1 801 . 2 1 1 A 70 70 GLU CA C 131 56.474 54.700 1.774 1
1 802 . 2 1 1 A 70 70 GLU CB C 131 30.686 32.304 -1.618 1
1 804 . 2 1 1 A 70 70 GLU HA H 131 4.354 4.940 -0.586 1
1 809 . 2 1 1 A 70 70 GLU H H 131 9.395 8.631 0.764 1
1 810 . 2 1 1 A 70 70 GLU N N 131 122.754 119.516 3.238 1
1 811 . 2 1 1 A 71 71 LEU CA C 132 59.955 58.180 1.775 1
1 812 . 2 1 1 A 71 71 LEU CB C 132 40.900 42.127 -1.227 1
1 816 . 2 1 1 A 71 71 LEU HA H 132 4.454 3.967 0.487 1
1 820 . 2 1 1 A 71 71 LEU H H 132 10.320 8.808 1.512 1
1 821 . 2 1 1 A 71 71 LEU N N 132 127.791 128.600 -0.809 1
1 828 . 2 1 1 A 72 72 ASP CA C 133 57.961 56.431 1.530 1
1 829 . 2 1 1 A 72 72 ASP CB C 133 40.031 40.977 -0.946 1
1 830 . 2 1 1 A 72 72 ASP HA H 133 4.452 4.434 0.018 1
1 831 . 2 1 1 A 72 72 ASP H H 133 9.283 7.929 1.354 1
1 832 . 2 1 1 A 72 72 ASP N N 133 117.573 118.982 -1.409 1
1 834 . 2 1 1 A 73 73 GLU CA C 134 58.070 59.386 -1.316 1
1 835 . 2 1 1 A 73 73 GLU CB C 134 30.329 29.740 0.589 1
1 837 . 2 1 1 A 73 73 GLU HA H 134 4.166 4.018 0.148 1
1 842 . 2 1 1 A 73 73 GLU H H 134 7.307 8.007 -0.700 1
1 843 . 2 1 1 A 73 73 GLU N N 134 118.947 120.707 -1.760 1
1 844 . 2 1 1 A 74 74 THR CA C 135 67.017 66.024 0.993 1
1 845 . 2 1 1 A 74 74 THR CB C 135 68.224 68.487 -0.263 1
1 847 . 2 1 1 A 74 74 THR HA H 135 3.966 4.070 -0.104 1
1 849 . 2 1 1 A 74 74 THR H H 135 8.334 8.586 -0.252 1
1 850 . 2 1 1 A 74 74 THR N N 135 116.702 114.283 2.419 1
1 854 . 2 1 1 A 75 75 LEU CA C 136 57.604 57.361 0.243 1
1 855 . 2 1 1 A 75 75 LEU CB C 136 41.375 42.630 -1.255 1
1 859 . 2 1 1 A 75 75 LEU HA H 136 4.164 4.125 0.039 1
1 863 . 2 1 1 A 75 75 LEU H H 136 8.159 7.496 0.663 1
1 864 . 2 1 1 A 75 75 LEU N N 136 118.009 122.821 -4.812 1
1 871 . 2 1 1 A 76 76 SER CA C 137 58.446 57.049 1.397 1
1 872 . 2 1 1 A 76 76 SER CB C 137 63.709 62.435 1.274 1
1 873 . 2 1 1 A 76 76 SER HA H 137 4.808 4.735 0.073 1
1 876 . 2 1 1 A 76 76 SER H H 137 7.713 7.855 -0.142 1
1 877 . 2 1 1 A 76 76 SER N N 137 111.428 112.426 -0.998 1
1 878 . 2 1 1 A 77 77 GLY CA C 138 46.311 45.632 0.679 1
1 879 . 2 1 1 A 77 77 GLY HA2 H 138 4.815 4.137 0.678 1
1 880 . 2 1 1 A 77 77 GLY HA3 H 138 3.860 4.138 -0.278 1
1 881 . 2 1 1 A 77 77 GLY H H 138 7.779 7.851 -0.072 1
1 882 . 2 1 1 A 77 77 GLY N N 138 112.185 113.027 -0.842 1
1 883 . 2 1 1 A 78 78 ARG CA C 139 61.186 59.364 1.822 1
1 884 . 2 1 1 A 78 78 ARG CB C 139 29.871 29.950 -0.079 1
1 887 . 2 1 1 A 78 78 ARG HA H 139 3.853 4.022 -0.169 1
1 892 . 2 1 1 A 78 78 ARG H H 139 8.311 7.978 0.333 1
1 893 . 2 1 1 A 78 78 ARG N N 139 121.172 120.371 0.801 1
1 895 . 2 1 1 A 79 79 ASP CA C 140 57.533 56.579 0.954 1
1 896 . 2 1 1 A 79 79 ASP CB C 140 39.905 41.355 -1.450 1
1 897 . 2 1 1 A 79 79 ASP HA H 140 4.630 4.402 0.228 1
1 900 . 2 1 1 A 79 79 ASP H H 140 8.749 8.165 0.584 1
1 901 . 2 1 1 A 79 79 ASP N N 140 114.843 119.561 -4.718 1
1 902 . 2 1 1 A 80 80 ILE CA C 141 63.732 62.858 0.874 1
1 903 . 2 1 1 A 80 80 ILE CB C 141 38.239 38.128 0.111 1
1 907 . 2 1 1 A 80 80 ILE HA H 141 4.070 4.066 0.004 1
1 911 . 2 1 1 A 80 80 ILE H H 141 7.565 7.219 0.346 1
1 912 . 2 1 1 A 80 80 ILE N N 141 121.986 116.071 5.915 1
1 919 . 2 1 1 A 81 81 ILE CA C 142 66.387 64.166 2.221 1
1 920 . 2 1 1 A 81 81 ILE CB C 142 38.194 36.766 1.428 1
1 924 . 2 1 1 A 81 81 ILE HA H 142 3.531 3.822 -0.291 1
1 928 . 2 1 1 A 81 81 ILE H H 142 8.309 7.761 0.548 1
1 929 . 2 1 1 A 81 81 ILE N N 142 121.735 123.003 -1.268 1
1 936 . 2 1 1 A 82 82 ASN CA C 143 56.121 55.592 0.529 1
1 937 . 2 1 1 A 82 82 ASN CB C 143 38.023 37.791 0.232 1
1 938 . 2 1 1 A 82 82 ASN HA H 143 4.369 4.446 -0.077 1
1 941 . 2 1 1 A 82 82 ASN H H 143 8.919 8.832 0.087 1
1 942 . 2 1 1 A 82 82 ASN N N 143 118.128 118.384 -0.256 1
1 946 . 2 1 1 A 83 83 ALA CA C 144 55.230 55.076 0.154 1
1 947 . 2 1 1 A 83 83 ALA CB C 144 18.378 17.864 0.514 1
1 948 . 2 1 1 A 83 83 ALA HA H 144 4.310 3.992 0.318 1
1 949 . 2 1 1 A 83 83 ALA H H 144 7.687 8.238 -0.551 1
1 950 . 2 1 1 A 83 83 ALA N N 144 122.048 122.288 -0.240 1
1 954 . 2 1 1 A 84 84 ARG CA C 145 58.842 59.514 -0.672 1
1 955 . 2 1 1 A 84 84 ARG CB C 145 30.415 30.409 0.006 1
1 958 . 2 1 1 A 84 84 ARG HA H 145 4.297 4.052 0.245 1
1 963 . 2 1 1 A 84 84 ARG H H 145 8.579 7.235 1.344 1
1 964 . 2 1 1 A 84 84 ARG N N 145 119.430 118.127 1.303 1
1 966 . 2 1 1 A 85 85 LEU CA C 146 57.861 57.844 0.017 1
1 967 . 2 1 1 A 85 85 LEU CB C 146 41.584 41.340 0.244 1
1 971 . 2 1 1 A 85 85 LEU HA H 146 4.054 3.993 0.061 1
1 975 . 2 1 1 A 85 85 LEU H H 146 9.083 8.010 1.073 1
1 976 . 2 1 1 A 85 85 LEU N N 146 119.149 119.819 -0.670 1
1 983 . 2 1 1 A 86 86 ARG CA C 147 60.723 59.498 1.225 1
1 984 . 2 1 1 A 86 86 ARG CB C 147 29.549 30.117 -0.568 1
1 987 . 2 1 1 A 86 86 ARG HA H 147 3.774 3.977 -0.203 1
1 992 . 2 1 1 A 86 86 ARG H H 147 7.971 7.969 0.002 1
1 993 . 2 1 1 A 86 86 ARG N N 147 118.395 120.865 -2.470 1
1 995 . 2 1 1 A 87 87 GLU CA C 148 59.392 58.034 1.358 1
1 996 . 2 1 1 A 87 87 GLU CB C 148 29.740 28.357 1.383 1
1 998 . 2 1 1 A 87 87 GLU HA H 148 4.120 4.123 -0.003 1
1 1003 . 2 1 1 A 87 87 GLU H H 148 7.895 8.018 -0.123 1
1 1004 . 2 1 1 A 87 87 GLU N N 148 116.934 116.433 0.501 1
1 1005 . 2 1 1 A 88 88 GLU CA C 149 58.455 58.057 0.398 1
1 1006 . 2 1 1 A 88 88 GLU CB C 149 29.306 30.210 -0.904 1
1 1008 . 2 1 1 A 88 88 GLU HA H 149 4.279 4.326 -0.047 1
1 1013 . 2 1 1 A 88 88 GLU H H 149 8.228 7.776 0.452 1
1 1014 . 2 1 1 A 88 88 GLU N N 149 116.458 119.004 -2.546 1
1 1015 . 2 1 1 A 89 89 LEU CA C 150 57.767 54.637 3.130 1
1 1016 . 2 1 1 A 89 89 LEU CB C 150 42.450 42.369 0.081 1
1 1020 . 2 1 1 A 89 89 LEU HA H 150 4.239 4.358 -0.119 1
1 1024 . 2 1 1 A 89 89 LEU H H 150 8.401 7.626 0.775 1
1 1025 . 2 1 1 A 89 89 LEU N N 150 117.854 117.869 -0.015 1
1 1032 . 2 1 1 A 90 90 ASP CA C 151 56.503 55.645 0.858 1
1 1033 . 2 1 1 A 90 90 ASP CB C 151 42.435 41.079 1.356 1
1 1034 . 2 1 1 A 90 90 ASP HA H 151 5.034 4.531 0.503 1
1 1037 . 2 1 1 A 90 90 ASP H H 151 8.524 7.595 0.929 1
1 1038 . 2 1 1 A 90 90 ASP N N 151 118.978 118.985 -0.007 1
1 1039 . 2 1 1 A 91 91 LYS CA C 152 58.455 57.978 0.477 1
1 1040 . 2 1 1 A 91 91 LYS CB C 152 33.021 33.348 -0.327 1
1 1044 . 2 1 1 A 91 91 LYS HA H 152 4.279 4.207 0.072 1
1 1049 . 2 1 1 A 91 91 LYS H H 152 7.348 7.861 -0.513 1
1 1050 . 2 1 1 A 91 91 LYS N N 152 114.172 116.226 -2.054 1
1 1053 . 2 1 1 A 92 92 ILE CA C 153 61.448 60.704 0.744 1
1 1054 . 2 1 1 A 92 92 ILE CB C 153 39.068 37.201 1.867 1
1 1058 . 2 1 1 A 92 92 ILE HA H 153 4.427 3.878 0.549 1
1 1062 . 2 1 1 A 92 92 ILE H H 153 7.597 7.832 -0.235 1
1 1063 . 2 1 1 A 92 92 ILE N N 153 114.441 119.113 -4.672 1
1 1070 . 2 1 1 A 93 93 THR CA C 154 65.433 61.779 3.654 1
1 1071 . 2 1 1 A 93 93 THR CB C 154 67.799 70.489 -2.690 1
1 1073 . 2 1 1 A 93 93 THR HA H 154 3.879 4.418 -0.539 1
1 1075 . 2 1 1 A 93 93 THR H H 154 8.195 7.402 0.793 1
1 1076 . 2 1 1 A 93 93 THR N N 154 110.253 112.445 -2.192 1
1 1080 . 2 1 1 A 94 94 ASP CA C 155 57.822 56.749 1.073 1
1 1081 . 2 1 1 A 94 94 ASP CB C 155 41.397 41.564 -0.167 1
1 1082 . 2 1 1 A 94 94 ASP HA H 155 4.514 4.478 0.036 1
1 1085 . 2 1 1 A 94 94 ASP H H 155 8.474 8.060 0.414 1
1 1086 . 2 1 1 A 94 94 ASP N N 155 124.348 121.599 2.749 1
1 1087 . 2 1 1 A 95 95 ARG CA C 156 57.783 57.634 0.149 1
1 1088 . 2 1 1 A 95 95 ARG CB C 156 29.386 30.323 -0.937 1
1 1091 . 2 1 1 A 95 95 ARG HA H 156 4.173 4.258 -0.085 1
1 1096 . 2 1 1 A 95 95 ARG H H 156 7.680 8.046 -0.366 1
1 1097 . 2 1 1 A 95 95 ARG N N 156 117.839 116.969 0.870 1
1 1099 . 2 1 1 A 96 96 TRP CB C 157 29.856 29.929 -0.073 1
1 1105 . 2 1 1 A 96 96 TRP HA H 157 4.943 4.813 0.130 1
1 1112 . 2 1 1 A 96 96 TRP H H 157 7.880 7.693 0.187 1
1 1115 . 2 1 1 A 96 96 TRP N N 157 117.944 118.940 -0.996 1
1 1117 . 2 1 1 A 97 97 GLY CA C 158 46.688 46.363 0.325 1
1 1118 . 2 1 1 A 97 97 GLY HA2 H 158 4.411 4.024 0.387 1
1 1119 . 2 1 1 A 97 97 GLY HA3 H 158 4.249 4.041 0.208 1
1 1120 . 2 1 1 A 97 97 GLY H H 158 7.972 8.048 -0.076 1
1 1121 . 2 1 1 A 97 97 GLY N N 158 104.253 109.386 -5.133 1
1 1122 . 2 1 1 A 98 98 VAL CA C 159 60.417 59.130 1.287 1
1 1123 . 2 1 1 A 98 98 VAL CB C 159 36.365 35.656 0.709 1
1 1126 . 2 1 1 A 98 98 VAL HA H 159 5.012 4.950 0.062 1
1 1128 . 2 1 1 A 98 98 VAL H H 159 7.468 8.202 -0.734 1
1 1129 . 2 1 1 A 98 98 VAL N N 159 115.979 119.960 -3.981 1
1 1136 . 2 1 1 A 99 99 LYS CA C 160 53.521 54.391 -0.870 1
1 1137 . 2 1 1 A 99 99 LYS CB C 160 36.083 36.342 -0.259 1
1 1141 . 2 1 1 A 99 99 LYS HA H 160 5.053 5.101 -0.048 1
1 1148 . 2 1 1 A 99 99 LYS H H 160 9.259 8.616 0.643 1
1 1149 . 2 1 1 A 99 99 LYS N N 160 126.977 124.129 2.848 1
1 1151 . 2 1 1 A 100 100 ILE CB C 161 35.185 37.154 -1.969 1
1 1155 . 2 1 1 A 100 100 ILE HA H 161 4.896 4.440 0.456 1
1 1159 . 2 1 1 A 100 100 ILE H H 161 9.310 9.033 0.277 1
1 1160 . 2 1 1 A 100 100 ILE N N 161 127.468 123.968 3.500 1
1 1167 . 2 1 1 A 101 101 THR CA C 162 63.075 65.495 -2.420 1
1 1168 . 2 1 1 A 101 101 THR CB C 162 67.345 68.996 -1.651 1
1 1170 . 2 1 1 A 101 101 THR HA H 162 4.254 4.088 0.166 1
1 1172 . 2 1 1 A 101 101 THR H H 162 8.783 8.473 0.310 1
1 1173 . 2 1 1 A 101 101 THR N N 162 120.609 120.691 -0.082 1
1 1177 . 2 1 1 A 102 102 ARG CA C 163 55.929 54.919 1.010 1
1 1178 . 2 1 1 A 102 102 ARG CB C 163 32.468 32.115 0.353 1
1 1181 . 2 1 1 A 102 102 ARG HA H 163 4.606 4.644 -0.038 1
1 1188 . 2 1 1 A 102 102 ARG H H 163 7.669 7.674 -0.005 1
1 1189 . 2 1 1 A 102 102 ARG N N 163 118.258 118.234 0.024 1
1 1190 . 2 1 1 A 103 103 VAL CB C 164 35.090 35.500 -0.410 1
1 1193 . 2 1 1 A 103 103 VAL HA H 164 4.886 4.739 0.147 1
1 1195 . 2 1 1 A 103 103 VAL H H 164 8.700 8.348 0.352 1
1 1196 . 2 1 1 A 103 103 VAL N N 164 122.135 119.391 2.744 1
1 1203 . 2 1 1 A 104 104 GLU CA C 165 54.469 54.409 0.060 1
1 1204 . 2 1 1 A 104 104 GLU CB C 165 33.028 33.276 -0.248 1
1 1206 . 2 1 1 A 104 104 GLU HA H 165 4.835 5.037 -0.202 1
1 1209 . 2 1 1 A 104 104 GLU H H 165 9.011 8.722 0.289 1
1 1210 . 2 1 1 A 104 104 GLU N N 165 123.789 125.555 -1.766 1
1 1212 . 2 1 1 A 105 105 ILE CA C 166 61.576 59.991 1.585 1
1 1213 . 2 1 1 A 105 105 ILE CB C 166 37.908 40.114 -2.206 1
1 1217 . 2 1 1 A 105 105 ILE HA H 166 4.525 4.678 -0.153 1
1 1219 . 2 1 1 A 105 105 ILE H H 166 9.869 8.881 0.988 1
1 1220 . 2 1 1 A 105 105 ILE N N 166 130.058 124.365 5.693 1
1 1229 . 2 1 1 A 106 106 GLN CA C 167 55.964 54.428 1.536 1
1 1230 . 2 1 1 A 106 106 GLN CB C 167 28.789 30.237 -1.448 1
1 1232 . 2 1 1 A 106 106 GLN HA H 167 4.661 4.593 0.068 1
1 1239 . 2 1 1 A 106 106 GLN H H 167 8.573 8.309 0.264 1
1 1240 . 2 1 1 A 106 106 GLN N N 167 127.576 125.997 1.579 1
1 1242 . 2 1 1 A 107 107 ARG CA C 168 56.113 56.845 -0.732 1
1 1243 . 2 1 1 A 107 107 ARG CB C 168 32.098 30.847 1.251 1
1 1246 . 2 1 1 A 107 107 ARG HA H 168 4.468 4.313 0.155 1
1 1251 . 2 1 1 A 107 107 ARG H H 168 8.762 8.167 0.595 1
1 1252 . 2 1 1 A 107 107 ARG N N 168 122.725 121.959 0.766 1
1 1254 . 2 1 1 A 108 108 ILE CA C 169 61.618 59.888 1.730 1
1 1255 . 2 1 1 A 108 108 ILE CB C 169 39.583 40.522 -0.939 1
1 1259 . 2 1 1 A 108 108 ILE HA H 169 4.451 4.564 -0.113 1
1 1263 . 2 1 1 A 108 108 ILE H H 169 7.996 8.485 -0.489 1
1 1264 . 2 1 1 A 108 108 ILE N N 169 120.383 125.266 -4.883 1
1 1271 . 2 1 1 A 109 109 ASP CA C 170 51.571 50.549 1.022 1
1 1272 . 2 1 1 A 109 109 ASP CB C 170 42.763 41.288 1.475 1
1 1273 . 2 1 1 A 109 109 ASP HA H 170 5.579 5.156 0.423 1
1 1276 . 2 1 1 A 109 109 ASP H H 170 9.067 8.451 0.616 1
1 1277 . 2 1 1 A 109 109 ASP N N 170 126.604 126.202 0.402 1
1 1278 . 2 1 1 A 110 110 PRO CA C 171 61.302 61.491 -0.189 1
1 1279 . 2 1 1 A 110 110 PRO CB C 171 30.857 31.668 -0.811 1
1 1282 . 2 1 1 A 110 110 PRO HA H 171 5.081 4.721 0.360 1
1 1288 . 2 1 1 A 111 111 PRO CA C 172 63.367 62.521 0.846 1
1 1289 . 2 1 1 A 111 111 PRO CB C 172 32.050 31.855 0.195 1
1 1292 . 2 1 1 A 111 111 PRO HA H 172 4.568 4.577 -0.009 1
1 1298 . 2 1 1 A 112 112 LYS CA C 173 55.951 59.765 -3.814 1
1 1299 . 2 1 1 A 112 112 LYS CB C 173 33.412 32.749 0.663 1
1 1303 . 2 1 1 A 112 112 LYS HA H 173 4.465 3.955 0.510 1
1 1306 . 2 1 1 A 112 112 LYS H H 173 8.533 8.750 -0.217 1
1 1307 . 2 1 1 A 112 112 LYS N N 173 122.499 123.268 -0.769 1
1 1 . 3 1 1 A 2 2 SER HA H 63 4.660 4.348 0.312 1
1 4 . 3 1 1 A 2 2 SER CB C 63 63.645 64.222 -0.577 1
1 5 . 3 1 1 A 3 3 ASP HA H 64 4.688 4.691 -0.003 1
1 8 . 3 1 1 A 3 3 ASP H H 64 8.603 8.879 -0.276 1
1 9 . 3 1 1 A 3 3 ASP CA C 64 54.354 55.764 -1.410 1
1 10 . 3 1 1 A 3 3 ASP CB C 64 40.980 42.213 -1.233 1
1 11 . 3 1 1 A 3 3 ASP N N 64 122.069 123.127 -1.058 1
1 12 . 3 1 1 A 4 4 HIS HA H 65 4.735 5.032 -0.297 1
1 17 . 3 1 1 A 4 4 HIS H H 65 8.354 7.921 0.433 1
1 18 . 3 1 1 A 4 4 HIS CA C 65 56.220 53.911 2.309 1
1 19 . 3 1 1 A 4 4 HIS CB C 65 30.570 31.531 -0.961 1
1 22 . 3 1 1 A 4 4 HIS N N 65 119.219 113.302 5.917 1
1 29 . 3 1 1 A 5 5 VAL HA H 66 4.183 4.764 -0.581 1
1 31 . 3 1 1 A 5 5 VAL H H 66 8.073 8.933 -0.860 1
1 32 . 3 1 1 A 5 5 VAL CA C 66 62.127 59.761 2.366 1
1 33 . 3 1 1 A 5 5 VAL CB C 66 32.960 35.966 -3.006 1
1 36 . 3 1 1 A 5 5 VAL N N 66 121.775 119.337 2.438 1
1 37 . 3 1 1 A 6 6 ASP CA C 67 53.727 52.678 1.049 1
1 38 . 3 1 1 A 6 6 ASP CB C 67 41.472 44.788 -3.316 1
1 39 . 3 1 1 A 6 6 ASP HA H 67 4.771 5.298 -0.527 1
1 42 . 3 1 1 A 6 6 ASP H H 67 8.615 8.957 -0.342 1
1 43 . 3 1 1 A 6 6 ASP N N 67 124.725 124.895 -0.170 1
1 44 . 3 1 1 A 7 7 LEU CA C 68 54.586 54.071 0.515 1
1 45 . 3 1 1 A 7 7 LEU CB C 68 41.657 41.677 -0.020 1
1 49 . 3 1 1 A 7 7 LEU HA H 68 4.556 4.557 -0.001 1
1 53 . 3 1 1 A 7 7 LEU H H 68 8.441 8.732 -0.291 1
1 54 . 3 1 1 A 7 7 LEU N N 68 123.747 123.291 0.456 1
1 61 . 3 1 1 A 8 8 ARG CA C 69 56.247 57.155 -0.908 1
1 62 . 3 1 1 A 8 8 ARG CB C 69 30.828 30.523 0.305 1
1 65 . 3 1 1 A 8 8 ARG HA H 69 4.253 4.046 0.207 1
1 70 . 3 1 1 A 8 8 ARG H H 69 8.209 7.422 0.787 1
1 71 . 3 1 1 A 8 8 ARG N N 69 121.063 121.207 -0.144 1
1 73 . 3 1 1 A 9 9 GLU CA C 70 55.691 55.043 0.648 1
1 74 . 3 1 1 A 9 9 GLU CB C 70 31.777 31.518 0.259 1
1 76 . 3 1 1 A 9 9 GLU HA H 70 4.655 4.445 0.210 1
1 79 . 3 1 1 A 9 9 GLU H H 70 8.338 8.561 -0.223 1
1 80 . 3 1 1 A 9 9 GLU N N 70 121.677 123.119 -1.442 1
1 82 . 3 1 1 A 10 10 HIS CA C 71 54.619 53.997 0.622 1
1 83 . 3 1 1 A 10 10 HIS CB C 71 32.189 31.256 0.933 1
1 86 . 3 1 1 A 10 10 HIS HA H 71 4.716 4.801 -0.085 1
1 91 . 3 1 1 A 10 10 HIS H H 71 9.043 8.796 0.247 1
1 92 . 3 1 1 A 10 10 HIS N N 71 125.575 121.023 4.552 1
1 93 . 3 1 1 A 11 11 VAL CA C 72 60.567 60.267 0.300 1
1 94 . 3 1 1 A 11 11 VAL CB C 72 35.380 33.817 1.563 1
1 97 . 3 1 1 A 11 11 VAL HA H 72 4.951 4.618 0.333 1
1 99 . 3 1 1 A 11 11 VAL H H 72 8.218 8.721 -0.503 1
1 100 . 3 1 1 A 11 11 VAL N N 72 117.348 123.652 -6.304 1
1 107 . 3 1 1 A 12 12 ILE CA C 73 59.857 59.877 -0.020 1
1 108 . 3 1 1 A 12 12 ILE CB C 73 41.969 38.945 3.024 1
1 112 . 3 1 1 A 12 12 ILE HA H 73 4.464 4.891 -0.427 1
1 116 . 3 1 1 A 12 12 ILE H H 73 9.272 9.132 0.140 1
1 117 . 3 1 1 A 12 12 ILE N N 73 126.908 129.727 -2.819 1
1 124 . 3 1 1 A 13 13 ASP CB C 74 41.534 41.269 0.265 1
1 125 . 3 1 1 A 13 13 ASP HA H 74 4.885 5.021 -0.136 1
1 128 . 3 1 1 A 13 13 ASP H H 74 8.501 8.867 -0.366 1
1 129 . 3 1 1 A 13 13 ASP N N 74 126.253 129.012 -2.759 1
1 130 . 3 1 1 A 14 14 VAL CA C 75 59.550 58.549 1.001 1
1 131 . 3 1 1 A 14 14 VAL CB C 75 32.270 33.173 -0.903 1
1 134 . 3 1 1 A 14 14 VAL HA H 75 4.491 4.560 -0.069 1
1 136 . 3 1 1 A 14 14 VAL H H 75 8.758 8.713 0.045 1
1 137 . 3 1 1 A 14 14 VAL N N 75 124.997 125.506 -0.509 1
1 144 . 3 1 1 A 15 15 PRO CB C 76 30.981 31.745 -0.764 1
1 147 . 3 1 1 A 15 15 PRO HA H 76 4.837 4.680 0.157 1
1 153 . 3 1 1 A 16 16 PRO CB C 77 32.267 32.801 -0.534 1
1 156 . 3 1 1 A 16 16 PRO HA H 77 4.881 4.925 -0.044 1
1 162 . 3 1 1 A 17 17 GLN CA C 78 53.332 54.927 -1.595 1
1 163 . 3 1 1 A 17 17 GLN CB C 78 33.352 32.251 1.101 1
1 165 . 3 1 1 A 17 17 GLN HA H 78 4.768 4.659 0.109 1
1 170 . 3 1 1 A 17 17 GLN H H 78 8.612 8.342 0.270 1
1 171 . 3 1 1 A 17 17 GLN N N 78 119.550 122.131 -2.581 1
1 175 . 3 1 1 A 18 18 GLU CA C 79 55.955 56.506 -0.551 1
1 176 . 3 1 1 A 18 18 GLU CB C 79 30.087 30.202 -0.115 1
1 178 . 3 1 1 A 18 18 GLU HA H 79 5.070 4.821 0.249 1
1 183 . 3 1 1 A 18 18 GLU H H 79 8.626 8.742 -0.116 1
1 184 . 3 1 1 A 18 18 GLU N N 79 123.226 127.048 -3.822 1
1 185 . 3 1 1 A 19 19 VAL CA C 80 60.191 60.692 -0.501 1
1 186 . 3 1 1 A 19 19 VAL CB C 80 34.901 34.669 0.232 1
1 189 . 3 1 1 A 19 19 VAL HA H 80 4.562 4.624 -0.062 1
1 191 . 3 1 1 A 19 19 VAL H H 80 9.568 8.298 1.270 1
1 192 . 3 1 1 A 19 19 VAL N N 80 123.365 124.922 -1.557 1
1 199 . 3 1 1 A 20 20 ILE CA C 81 60.810 61.832 -1.022 1
1 200 . 3 1 1 A 20 20 ILE CB C 81 39.198 37.276 1.922 1
1 204 . 3 1 1 A 20 20 ILE HA H 81 4.678 4.005 0.673 1
1 208 . 3 1 1 A 20 20 ILE H H 81 8.048 8.706 -0.658 1
1 209 . 3 1 1 A 20 20 ILE N N 81 122.564 128.350 -5.786 1
1 216 . 3 1 1 A 21 21 CYS CB C 82 29.386 28.856 0.530 1
1 217 . 3 1 1 A 21 21 CYS HA H 82 4.932 4.493 0.439 1
1 220 . 3 1 1 A 21 21 CYS H H 82 8.796 9.183 -0.387 1
1 221 . 3 1 1 A 21 21 CYS N N 82 125.960 126.912 -0.952 1
1 222 . 3 1 1 A 22 22 LYS CA C 83 59.330 58.943 0.387 1
1 223 . 3 1 1 A 22 22 LYS CB C 83 33.478 32.521 0.957 1
1 227 . 3 1 1 A 22 22 LYS HA H 83 4.096 4.040 0.056 1
1 234 . 3 1 1 A 22 22 LYS H H 83 8.735 8.624 0.111 1
1 235 . 3 1 1 A 22 22 LYS N N 83 123.785 124.937 -1.152 1
1 237 . 3 1 1 A 23 23 ASP CA C 84 53.011 53.957 -0.946 1
1 238 . 3 1 1 A 23 23 ASP CB C 84 38.642 40.792 -2.150 1
1 239 . 3 1 1 A 23 23 ASP HA H 84 4.694 4.748 -0.054 1
1 242 . 3 1 1 A 23 23 ASP H H 84 8.667 7.902 0.765 1
1 243 . 3 1 1 A 23 23 ASP N N 84 112.676 116.357 -3.681 1
1 244 . 3 1 1 A 24 24 ASN CA C 85 54.989 54.661 0.328 1
1 245 . 3 1 1 A 24 24 ASN CB C 85 36.698 36.741 -0.043 1
1 246 . 3 1 1 A 24 24 ASN HA H 85 4.321 4.265 0.056 1
1 251 . 3 1 1 A 24 24 ASN H H 85 8.264 7.681 0.583 1
1 252 . 3 1 1 A 24 24 ASN N N 85 112.321 114.115 -1.794 1
1 254 . 3 1 1 A 25 25 VAL CA C 86 61.920 61.327 0.593 1
1 255 . 3 1 1 A 25 25 VAL CB C 86 33.581 33.392 0.189 1
1 258 . 3 1 1 A 25 25 VAL HA H 86 4.247 4.372 -0.125 1
1 260 . 3 1 1 A 25 25 VAL H H 86 6.817 7.635 -0.818 1
1 261 . 3 1 1 A 25 25 VAL N N 86 117.663 118.652 -0.989 1
1 268 . 3 1 1 A 26 26 VAL CA C 87 62.127 61.674 0.453 1
1 269 . 3 1 1 A 26 26 VAL CB C 87 32.468 32.373 0.095 1
1 272 . 3 1 1 A 26 26 VAL HA H 87 4.710 4.570 0.140 1
1 274 . 3 1 1 A 26 26 VAL H H 87 8.467 8.804 -0.337 1
1 275 . 3 1 1 A 26 26 VAL N N 87 128.149 129.161 -1.012 1
1 282 . 3 1 1 A 27 27 VAL CA C 88 58.409 58.994 -0.585 1
1 283 . 3 1 1 A 27 27 VAL CB C 88 34.991 35.624 -0.633 1
1 286 . 3 1 1 A 27 27 VAL HA H 88 4.995 5.019 -0.024 1
1 288 . 3 1 1 A 27 27 VAL H H 88 8.983 8.839 0.144 1
1 289 . 3 1 1 A 27 27 VAL N N 88 119.421 122.932 -3.511 1
1 296 . 3 1 1 A 28 28 THR CA C 89 62.180 62.390 -0.210 1
1 297 . 3 1 1 A 28 28 THR CB C 89 69.351 69.299 0.052 1
1 299 . 3 1 1 A 28 28 THR HA H 89 5.249 4.837 0.412 1
1 301 . 3 1 1 A 28 28 THR H H 89 8.544 8.682 -0.138 1
1 302 . 3 1 1 A 28 28 THR N N 89 118.810 119.324 -0.514 1
1 306 . 3 1 1 A 29 29 VAL CA C 90 58.826 59.719 -0.893 1
1 307 . 3 1 1 A 29 29 VAL CB C 90 36.035 35.349 0.686 1
1 310 . 3 1 1 A 29 29 VAL HA H 90 5.527 4.985 0.542 1
1 312 . 3 1 1 A 29 29 VAL H H 90 8.818 8.973 -0.155 1
1 313 . 3 1 1 A 29 29 VAL N N 90 123.670 127.725 -4.055 1
1 320 . 3 1 1 A 30 30 ASP CA C 91 52.821 54.125 -1.304 1
1 321 . 3 1 1 A 30 30 ASP CB C 91 42.960 45.129 -2.169 1
1 322 . 3 1 1 A 30 30 ASP HA H 91 4.785 5.253 -0.468 1
1 325 . 3 1 1 A 30 30 ASP H H 91 8.478 8.744 -0.266 1
1 326 . 3 1 1 A 30 30 ASP N N 91 125.411 126.324 -0.913 1
1 327 . 3 1 1 A 31 31 ALA CA C 92 51.718 51.368 0.350 1
1 328 . 3 1 1 A 31 31 ALA CB C 92 22.216 23.418 -1.202 1
1 329 . 3 1 1 A 31 31 ALA HA H 92 5.268 4.981 0.287 1
1 330 . 3 1 1 A 31 31 ALA H H 92 8.075 8.258 -0.183 1
1 331 . 3 1 1 A 31 31 ALA N N 92 116.806 124.764 -7.958 1
1 335 . 3 1 1 A 32 32 VAL CB C 93 34.772 33.894 0.878 1
1 338 . 3 1 1 A 32 32 VAL HA H 93 4.901 5.027 -0.126 1
1 340 . 3 1 1 A 32 32 VAL H H 93 8.306 8.710 -0.404 1
1 341 . 3 1 1 A 32 32 VAL N N 93 117.482 115.824 1.658 1
1 348 . 3 1 1 A 33 33 VAL CA C 94 61.058 61.235 -0.177 1
1 349 . 3 1 1 A 33 33 VAL CB C 94 34.773 35.176 -0.403 1
1 352 . 3 1 1 A 33 33 VAL HA H 94 4.515 4.583 -0.068 1
1 354 . 3 1 1 A 33 33 VAL H H 94 8.873 8.579 0.294 1
1 355 . 3 1 1 A 33 33 VAL N N 94 124.653 121.443 3.210 1
1 362 . 3 1 1 A 34 34 TYR CA C 95 56.333 58.409 -2.076 1
1 363 . 3 1 1 A 34 34 TYR CB C 95 40.336 40.245 0.091 1
1 366 . 3 1 1 A 34 34 TYR HA H 95 5.834 5.351 0.483 1
1 371 . 3 1 1 A 34 34 TYR H H 95 8.989 8.716 0.273 1
1 372 . 3 1 1 A 34 34 TYR N N 95 126.081 126.827 -0.746 1
1 375 . 3 1 1 A 35 35 TYR CA C 96 55.679 56.560 -0.881 1
1 376 . 3 1 1 A 35 35 TYR CB C 96 42.824 41.160 1.664 1
1 379 . 3 1 1 A 35 35 TYR HA H 96 6.097 5.527 0.570 1
1 384 . 3 1 1 A 35 35 TYR H H 96 9.102 8.210 0.892 1
1 385 . 3 1 1 A 35 35 TYR N N 96 117.188 118.564 -1.376 1
1 388 . 3 1 1 A 36 36 GLN CB C 97 33.643 32.123 1.520 1
1 390 . 3 1 1 A 36 36 GLN HA H 97 4.942 4.976 -0.034 1
1 395 . 3 1 1 A 36 36 GLN H H 97 9.441 8.506 0.935 1
1 396 . 3 1 1 A 36 36 GLN N N 97 118.000 119.525 -1.525 1
1 399 . 3 1 1 A 37 37 VAL CA C 98 63.621 63.362 0.259 1
1 400 . 3 1 1 A 37 37 VAL CB C 98 31.380 30.902 0.478 1
1 403 . 3 1 1 A 37 37 VAL HA H 98 4.286 4.053 0.233 1
1 405 . 3 1 1 A 37 37 VAL H H 98 9.692 9.002 0.690 1
1 406 . 3 1 1 A 37 37 VAL N N 98 126.436 124.052 2.384 1
1 413 . 3 1 1 A 38 38 ILE CA C 99 61.011 62.460 -1.449 1
1 414 . 3 1 1 A 38 38 ILE CB C 99 38.943 38.005 0.938 1
1 418 . 3 1 1 A 38 38 ILE HA H 99 4.514 4.104 0.410 1
1 422 . 3 1 1 A 38 38 ILE H H 99 8.540 8.180 0.360 1
1 423 . 3 1 1 A 38 38 ILE N N 99 123.480 123.576 -0.096 1
1 430 . 3 1 1 A 39 39 ASP CA C 100 50.850 51.139 -0.289 1
1 431 . 3 1 1 A 39 39 ASP CB C 100 41.979 42.564 -0.585 1
1 432 . 3 1 1 A 39 39 ASP HA H 100 5.326 4.938 0.388 1
1 435 . 3 1 1 A 39 39 ASP H H 100 8.135 7.337 0.798 1
1 436 . 3 1 1 A 39 39 ASP N N 100 119.056 121.762 -2.706 1
1 437 . 3 1 1 A 40 40 PRO CA C 101 64.279 65.625 -1.346 1
1 438 . 3 1 1 A 40 40 PRO CB C 101 32.510 31.928 0.582 1
1 441 . 3 1 1 A 40 40 PRO HA H 101 4.299 4.253 0.046 1
1 448 . 3 1 1 A 41 41 VAL CA C 102 65.120 65.253 -0.133 1
1 449 . 3 1 1 A 41 41 VAL CB C 102 31.406 31.619 -0.213 1
1 452 . 3 1 1 A 41 41 VAL HA H 102 3.886 3.803 0.083 1
1 454 . 3 1 1 A 41 41 VAL H H 102 7.936 7.838 0.098 1
1 455 . 3 1 1 A 41 41 VAL N N 102 118.168 117.119 1.049 1
1 462 . 3 1 1 A 42 42 LYS CA C 103 57.852 59.491 -1.639 1
1 463 . 3 1 1 A 42 42 LYS CB C 103 33.597 32.382 1.215 1
1 467 . 3 1 1 A 42 42 LYS HA H 103 4.242 4.138 0.104 1
1 472 . 3 1 1 A 42 42 LYS H H 103 7.240 8.108 -0.868 1
1 473 . 3 1 1 A 42 42 LYS N N 103 118.280 121.981 -3.701 1
1 476 . 3 1 1 A 43 43 ALA CA C 104 53.615 51.259 2.356 1
1 477 . 3 1 1 A 43 43 ALA CB C 104 18.578 17.323 1.255 1
1 478 . 3 1 1 A 43 43 ALA HA H 104 4.632 4.395 0.237 1
1 479 . 3 1 1 A 43 43 ALA H H 104 7.702 7.812 -0.110 1
1 480 . 3 1 1 A 43 43 ALA N N 104 122.122 120.401 1.721 1
1 484 . 3 1 1 A 44 44 VAL CA C 105 62.530 63.619 -1.089 1
1 485 . 3 1 1 A 44 44 VAL CB C 105 31.680 32.130 -0.450 1
1 488 . 3 1 1 A 44 44 VAL HA H 105 4.197 4.131 0.066 1
1 490 . 3 1 1 A 44 44 VAL H H 105 7.682 7.841 -0.159 1
1 491 . 3 1 1 A 44 44 VAL N N 105 115.037 119.770 -4.733 1
1 498 . 3 1 1 A 45 45 TYR CA C 106 57.222 57.722 -0.500 1
1 499 . 3 1 1 A 45 45 TYR CB C 106 38.651 37.913 0.738 1
1 502 . 3 1 1 A 45 45 TYR HA H 106 4.652 4.562 0.090 1
1 505 . 3 1 1 A 45 45 TYR H H 106 7.436 7.560 -0.124 1
1 506 . 3 1 1 A 45 45 TYR N N 106 118.804 119.635 -0.831 1
1 510 . 3 1 1 A 46 46 ASN CB C 107 39.028 36.741 2.287 1
1 511 . 3 1 1 A 46 46 ASN HA H 107 4.959 4.334 0.625 1
1 516 . 3 1 1 A 46 46 ASN H H 107 8.614 8.075 0.539 1
1 517 . 3 1 1 A 46 46 ASN N N 107 118.495 113.804 4.691 1
1 519 . 3 1 1 A 47 47 VAL CA C 108 65.178 63.189 1.989 1
1 520 . 3 1 1 A 47 47 VAL CB C 108 32.022 29.891 2.131 1
1 523 . 3 1 1 A 47 47 VAL HA H 108 3.952 3.430 0.522 1
1 525 . 3 1 1 A 47 47 VAL H H 108 8.342 7.705 0.637 1
1 526 . 3 1 1 A 47 47 VAL N N 108 123.377 110.349 13.028 1
1 533 . 3 1 1 A 48 48 SER CA C 109 61.473 61.523 -0.050 1
1 534 . 3 1 1 A 48 48 SER CB C 109 62.248 63.753 -1.505 1
1 535 . 3 1 1 A 48 48 SER HA H 109 4.298 4.450 -0.152 1
1 536 . 3 1 1 A 48 48 SER H H 109 8.353 7.985 0.368 1
1 537 . 3 1 1 A 48 48 SER N N 109 116.439 114.619 1.820 1
1 539 . 3 1 1 A 49 49 ASP CA C 110 56.211 57.267 -1.056 1
1 540 . 3 1 1 A 49 49 ASP CB C 110 40.691 40.529 0.162 1
1 541 . 3 1 1 A 49 49 ASP HA H 110 4.534 4.276 0.258 1
1 542 . 3 1 1 A 49 49 ASP H H 110 7.832 8.289 -0.457 1
1 543 . 3 1 1 A 49 49 ASP N N 110 121.141 122.581 -1.440 1
1 545 . 3 1 1 A 50 50 PHE CA C 111 60.009 61.468 -1.459 1
1 546 . 3 1 1 A 50 50 PHE CB C 111 38.598 39.500 -0.902 1
1 550 . 3 1 1 A 50 50 PHE HA H 111 3.486 3.992 -0.506 1
1 555 . 3 1 1 A 50 50 PHE H H 111 8.044 8.301 -0.257 1
1 557 . 3 1 1 A 50 50 PHE N N 111 122.621 121.294 1.327 1
1 560 . 3 1 1 A 51 51 LEU CA C 112 58.009 58.219 -0.210 1
1 561 . 3 1 1 A 51 51 LEU CB C 112 41.213 42.130 -0.917 1
1 565 . 3 1 1 A 51 51 LEU HA H 112 3.546 3.775 -0.229 1
1 569 . 3 1 1 A 51 51 LEU H H 112 8.046 8.555 -0.509 1
1 570 . 3 1 1 A 51 51 LEU N N 112 119.691 120.075 -0.384 1
1 577 . 3 1 1 A 52 52 MET CA C 113 57.696 58.418 -0.722 1
1 578 . 3 1 1 A 52 52 MET CB C 113 32.289 32.312 -0.023 1
1 581 . 3 1 1 A 52 52 MET HA H 113 4.231 4.140 0.091 1
1 586 . 3 1 1 A 52 52 MET H H 113 7.563 7.983 -0.420 1
1 587 . 3 1 1 A 52 52 MET N N 113 115.770 116.570 -0.800 1
1 591 . 3 1 1 A 53 53 ALA CA C 114 54.815 55.110 -0.295 1
1 592 . 3 1 1 A 53 53 ALA CB C 114 18.369 18.411 -0.042 1
1 593 . 3 1 1 A 53 53 ALA HA H 114 4.199 4.077 0.122 1
1 594 . 3 1 1 A 53 53 ALA H H 114 7.878 8.444 -0.566 1
1 595 . 3 1 1 A 53 53 ALA N N 114 121.804 122.605 -0.801 1
1 599 . 3 1 1 A 54 54 ILE CA C 115 63.259 64.487 -1.228 1
1 600 . 3 1 1 A 54 54 ILE CB C 115 36.127 37.311 -1.184 1
1 604 . 3 1 1 A 54 54 ILE HA H 115 3.767 3.602 0.165 1
1 608 . 3 1 1 A 54 54 ILE H H 115 8.202 7.664 0.538 1
1 609 . 3 1 1 A 54 54 ILE N N 115 118.054 119.216 -1.162 1
1 616 . 3 1 1 A 55 55 VAL CA C 116 68.036 65.549 2.487 1
1 617 . 3 1 1 A 55 55 VAL CB C 116 31.463 31.373 0.090 1
1 620 . 3 1 1 A 55 55 VAL HA H 116 3.509 3.748 -0.239 1
1 622 . 3 1 1 A 55 55 VAL H H 116 7.961 7.622 0.339 1
1 623 . 3 1 1 A 55 55 VAL N N 116 121.095 116.706 4.389 1
1 630 . 3 1 1 A 56 56 LYS CA C 117 59.077 58.905 0.172 1
1 631 . 3 1 1 A 56 56 LYS CB C 117 31.997 32.576 -0.579 1
1 635 . 3 1 1 A 56 56 LYS HA H 117 4.297 4.127 0.170 1
1 638 . 3 1 1 A 56 56 LYS H H 117 8.000 7.935 0.065 1
1 639 . 3 1 1 A 56 56 LYS N N 117 118.806 122.460 -3.654 1
1 643 . 3 1 1 A 57 57 LEU CA C 118 57.515 58.087 -0.572 1
1 644 . 3 1 1 A 57 57 LEU CB C 118 42.727 41.560 1.167 1
1 648 . 3 1 1 A 57 57 LEU HA H 118 4.286 3.973 0.313 1
1 652 . 3 1 1 A 57 57 LEU H H 118 8.390 8.380 0.010 1
1 653 . 3 1 1 A 57 57 LEU N N 118 120.738 120.350 0.388 1
1 660 . 3 1 1 A 58 58 ALA CA C 119 55.695 55.615 0.080 1
1 661 . 3 1 1 A 58 58 ALA CB C 119 17.984 18.393 -0.409 1
1 662 . 3 1 1 A 58 58 ALA HA H 119 4.131 4.013 0.118 1
1 663 . 3 1 1 A 58 58 ALA H H 119 9.213 8.295 0.918 1
1 664 . 3 1 1 A 58 58 ALA N N 119 123.641 120.270 3.371 1
1 668 . 3 1 1 A 59 59 GLN CA C 120 60.234 59.000 1.234 1
1 669 . 3 1 1 A 59 59 GLN CB C 120 28.353 28.248 0.105 1
1 671 . 3 1 1 A 59 59 GLN HA H 120 3.972 4.038 -0.066 1
1 678 . 3 1 1 A 59 59 GLN H H 120 8.649 8.094 0.555 1
1 679 . 3 1 1 A 59 59 GLN N N 120 116.453 117.389 -0.936 1
1 681 . 3 1 1 A 60 60 THR CA C 121 66.360 65.997 0.363 1
1 682 . 3 1 1 A 60 60 THR CB C 121 68.868 69.143 -0.275 1
1 684 . 3 1 1 A 60 60 THR HA H 121 4.076 4.025 0.051 1
1 686 . 3 1 1 A 60 60 THR H H 121 8.566 7.716 0.850 1
1 687 . 3 1 1 A 60 60 THR N N 121 115.479 115.532 -0.053 1
1 691 . 3 1 1 A 61 61 ASN CA C 122 57.397 56.379 1.018 1
1 692 . 3 1 1 A 61 61 ASN CB C 122 39.535 38.017 1.518 1
1 693 . 3 1 1 A 61 61 ASN HA H 122 4.626 4.337 0.289 1
1 698 . 3 1 1 A 61 61 ASN H H 122 8.433 8.193 0.240 1
1 699 . 3 1 1 A 61 61 ASN N N 122 120.652 118.474 2.178 1
1 701 . 3 1 1 A 62 62 LEU CA C 123 58.804 58.226 0.578 1
1 702 . 3 1 1 A 62 62 LEU CB C 123 42.331 41.635 0.696 1
1 706 . 3 1 1 A 62 62 LEU HA H 123 4.068 3.957 0.111 1
1 710 . 3 1 1 A 62 62 LEU H H 123 8.837 8.403 0.434 1
1 711 . 3 1 1 A 62 62 LEU N N 123 121.425 117.863 3.562 1
1 718 . 3 1 1 A 63 63 ARG CA C 124 59.647 59.497 0.150 1
1 719 . 3 1 1 A 63 63 ARG CB C 124 30.112 30.184 -0.072 1
1 722 . 3 1 1 A 63 63 ARG HA H 124 4.030 3.958 0.072 1
1 727 . 3 1 1 A 63 63 ARG H H 124 7.502 8.180 -0.678 1
1 728 . 3 1 1 A 63 63 ARG N N 124 116.156 119.669 -3.513 1
1 730 . 3 1 1 A 64 64 ALA CA C 125 54.793 55.073 -0.280 1
1 731 . 3 1 1 A 64 64 ALA CB C 125 18.471 18.994 -0.523 1
1 732 . 3 1 1 A 64 64 ALA HA H 125 4.260 4.030 0.230 1
1 733 . 3 1 1 A 64 64 ALA H H 125 7.637 7.939 -0.302 1
1 734 . 3 1 1 A 64 64 ALA N N 125 121.808 121.864 -0.056 1
1 738 . 3 1 1 A 65 65 ILE CA C 126 64.917 64.864 0.053 1
1 739 . 3 1 1 A 65 65 ILE CB C 126 39.599 37.782 1.817 1
1 743 . 3 1 1 A 65 65 ILE HA H 126 3.745 3.722 0.023 1
1 747 . 3 1 1 A 65 65 ILE H H 126 8.476 7.440 1.036 1
1 748 . 3 1 1 A 65 65 ILE N N 126 117.948 117.081 0.867 1
1 755 . 3 1 1 A 66 66 ILE CA C 127 64.704 64.729 -0.025 1
1 756 . 3 1 1 A 66 66 ILE CB C 127 37.188 37.643 -0.455 1
1 760 . 3 1 1 A 66 66 ILE HA H 127 3.826 3.746 0.080 1
1 764 . 3 1 1 A 66 66 ILE H H 127 8.130 8.194 -0.064 1
1 765 . 3 1 1 A 66 66 ILE N N 127 118.919 119.657 -0.738 1
1 772 . 3 1 1 A 67 67 GLY CA C 128 46.401 46.793 -0.392 1
1 773 . 3 1 1 A 67 67 GLY HA2 H 128 4.437 3.983 0.454 1
1 774 . 3 1 1 A 67 67 GLY HA3 H 128 3.925 3.984 -0.059 1
1 775 . 3 1 1 A 67 67 GLY H H 128 7.683 7.646 0.037 1
1 776 . 3 1 1 A 67 67 GLY N N 128 104.485 109.285 -4.800 1
1 777 . 3 1 1 A 68 68 GLU CA C 129 55.446 55.218 0.228 1
1 778 . 3 1 1 A 68 68 GLU CB C 129 30.672 31.393 -0.721 1
1 780 . 3 1 1 A 68 68 GLU HA H 129 4.589 4.883 -0.294 1
1 785 . 3 1 1 A 68 68 GLU H H 129 7.111 8.330 -1.219 1
1 786 . 3 1 1 A 68 68 GLU N N 129 115.084 116.406 -1.322 1
1 787 . 3 1 1 A 69 69 MET CA C 130 55.238 54.595 0.643 1
1 788 . 3 1 1 A 69 69 MET CB C 130 36.559 36.526 0.033 1
1 791 . 3 1 1 A 69 69 MET HA H 130 4.763 4.823 -0.060 1
1 796 . 3 1 1 A 69 69 MET H H 130 8.414 8.607 -0.193 1
1 797 . 3 1 1 A 69 69 MET N N 130 121.732 121.494 0.238 1
1 801 . 3 1 1 A 70 70 GLU CA C 131 56.474 54.589 1.885 1
1 802 . 3 1 1 A 70 70 GLU CB C 131 30.686 32.411 -1.725 1
1 804 . 3 1 1 A 70 70 GLU HA H 131 4.354 4.835 -0.481 1
1 809 . 3 1 1 A 70 70 GLU H H 131 9.395 8.604 0.791 1
1 810 . 3 1 1 A 70 70 GLU N N 131 122.754 119.690 3.064 1
1 811 . 3 1 1 A 71 71 LEU CA C 132 59.955 58.190 1.765 1
1 812 . 3 1 1 A 71 71 LEU CB C 132 40.900 42.042 -1.142 1
1 816 . 3 1 1 A 71 71 LEU HA H 132 4.454 3.966 0.488 1
1 820 . 3 1 1 A 71 71 LEU H H 132 10.320 8.813 1.507 1
1 821 . 3 1 1 A 71 71 LEU N N 132 127.791 128.214 -0.423 1
1 828 . 3 1 1 A 72 72 ASP CA C 133 57.961 56.810 1.151 1
1 829 . 3 1 1 A 72 72 ASP CB C 133 40.031 41.181 -1.150 1
1 830 . 3 1 1 A 72 72 ASP HA H 133 4.452 4.632 -0.180 1
1 831 . 3 1 1 A 72 72 ASP H H 133 9.283 8.377 0.906 1
1 832 . 3 1 1 A 72 72 ASP N N 133 117.573 117.633 -0.060 1
1 834 . 3 1 1 A 73 73 GLU CA C 134 58.070 58.994 -0.924 1
1 835 . 3 1 1 A 73 73 GLU CB C 134 30.329 29.922 0.407 1
1 837 . 3 1 1 A 73 73 GLU HA H 134 4.166 4.104 0.062 1
1 842 . 3 1 1 A 73 73 GLU H H 134 7.307 8.269 -0.962 1
1 843 . 3 1 1 A 73 73 GLU N N 134 118.947 120.155 -1.208 1
1 844 . 3 1 1 A 74 74 THR CA C 135 67.017 65.633 1.384 1
1 845 . 3 1 1 A 74 74 THR CB C 135 68.224 68.045 0.179 1
1 847 . 3 1 1 A 74 74 THR HA H 135 3.966 3.968 -0.002 1
1 849 . 3 1 1 A 74 74 THR H H 135 8.334 8.381 -0.047 1
1 850 . 3 1 1 A 74 74 THR N N 135 116.702 114.689 2.013 1
1 854 . 3 1 1 A 75 75 LEU CA C 136 57.604 57.904 -0.300 1
1 855 . 3 1 1 A 75 75 LEU CB C 136 41.375 41.272 0.103 1
1 859 . 3 1 1 A 75 75 LEU HA H 136 4.164 3.960 0.204 1
1 863 . 3 1 1 A 75 75 LEU H H 136 8.159 7.922 0.237 1
1 864 . 3 1 1 A 75 75 LEU N N 136 118.009 119.555 -1.546 1
1 871 . 3 1 1 A 76 76 SER CA C 137 58.446 62.367 -3.921 1
1 872 . 3 1 1 A 76 76 SER CB C 137 63.709 62.979 0.730 1
1 873 . 3 1 1 A 76 76 SER HA H 137 4.808 4.304 0.504 1
1 876 . 3 1 1 A 76 76 SER H H 137 7.713 7.781 -0.068 1
1 877 . 3 1 1 A 76 76 SER N N 137 111.428 115.107 -3.679 1
1 878 . 3 1 1 A 77 77 GLY CA C 138 46.311 47.159 -0.848 1
1 879 . 3 1 1 A 77 77 GLY HA2 H 138 4.815 3.943 0.872 1
1 880 . 3 1 1 A 77 77 GLY HA3 H 138 3.860 3.944 -0.084 1
1 881 . 3 1 1 A 77 77 GLY H H 138 7.779 8.651 -0.872 1
1 882 . 3 1 1 A 77 77 GLY N N 138 112.185 108.635 3.550 1
1 883 . 3 1 1 A 78 78 ARG CA C 139 61.186 57.688 3.498 1
1 884 . 3 1 1 A 78 78 ARG CB C 139 29.871 30.809 -0.938 1
1 887 . 3 1 1 A 78 78 ARG HA H 139 3.853 4.383 -0.530 1
1 892 . 3 1 1 A 78 78 ARG H H 139 8.311 8.128 0.183 1
1 893 . 3 1 1 A 78 78 ARG N N 139 121.172 124.582 -3.410 1
1 895 . 3 1 1 A 79 79 ASP CA C 140 57.533 56.445 1.088 1
1 896 . 3 1 1 A 79 79 ASP CB C 140 39.905 40.566 -0.661 1
1 897 . 3 1 1 A 79 79 ASP HA H 140 4.630 4.471 0.159 1
1 900 . 3 1 1 A 79 79 ASP H H 140 8.749 7.967 0.782 1
1 901 . 3 1 1 A 79 79 ASP N N 140 114.843 118.704 -3.861 1
1 902 . 3 1 1 A 80 80 ILE CA C 141 63.732 64.111 -0.379 1
1 903 . 3 1 1 A 80 80 ILE CB C 141 38.239 38.098 0.141 1
1 907 . 3 1 1 A 80 80 ILE HA H 141 4.070 3.920 0.150 1
1 911 . 3 1 1 A 80 80 ILE H H 141 7.565 7.395 0.170 1
1 912 . 3 1 1 A 80 80 ILE N N 141 121.986 119.877 2.109 1
1 919 . 3 1 1 A 81 81 ILE CA C 142 66.387 65.050 1.337 1
1 920 . 3 1 1 A 81 81 ILE CB C 142 38.194 37.786 0.408 1
1 924 . 3 1 1 A 81 81 ILE HA H 142 3.531 3.751 -0.220 1
1 928 . 3 1 1 A 81 81 ILE H H 142 8.309 8.050 0.259 1
1 929 . 3 1 1 A 81 81 ILE N N 142 121.735 120.589 1.146 1
1 936 . 3 1 1 A 82 82 ASN CA C 143 56.121 54.885 1.236 1
1 937 . 3 1 1 A 82 82 ASN CB C 143 38.023 38.391 -0.368 1
1 938 . 3 1 1 A 82 82 ASN HA H 143 4.369 4.509 -0.140 1
1 941 . 3 1 1 A 82 82 ASN H H 143 8.919 8.117 0.802 1
1 942 . 3 1 1 A 82 82 ASN N N 143 118.128 117.600 0.528 1
1 946 . 3 1 1 A 83 83 ALA CA C 144 55.230 55.430 -0.200 1
1 947 . 3 1 1 A 83 83 ALA CB C 144 18.378 18.360 0.018 1
1 948 . 3 1 1 A 83 83 ALA HA H 144 4.310 3.956 0.354 1
1 949 . 3 1 1 A 83 83 ALA H H 144 7.687 8.249 -0.562 1
1 950 . 3 1 1 A 83 83 ALA N N 144 122.048 122.265 -0.217 1
1 954 . 3 1 1 A 84 84 ARG CA C 145 58.842 59.344 -0.502 1
1 955 . 3 1 1 A 84 84 ARG CB C 145 30.415 30.027 0.388 1
1 958 . 3 1 1 A 84 84 ARG HA H 145 4.297 3.897 0.400 1
1 963 . 3 1 1 A 84 84 ARG H H 145 8.579 8.002 0.577 1
1 964 . 3 1 1 A 84 84 ARG N N 145 119.430 117.959 1.471 1
1 966 . 3 1 1 A 85 85 LEU CA C 146 57.861 57.641 0.220 1
1 967 . 3 1 1 A 85 85 LEU CB C 146 41.584 41.597 -0.013 1
1 971 . 3 1 1 A 85 85 LEU HA H 146 4.054 3.937 0.117 1
1 975 . 3 1 1 A 85 85 LEU H H 146 9.083 8.165 0.918 1
1 976 . 3 1 1 A 85 85 LEU N N 146 119.149 120.420 -1.271 1
1 983 . 3 1 1 A 86 86 ARG CA C 147 60.723 59.809 0.914 1
1 984 . 3 1 1 A 86 86 ARG CB C 147 29.549 30.036 -0.487 1
1 987 . 3 1 1 A 86 86 ARG HA H 147 3.774 3.967 -0.193 1
1 992 . 3 1 1 A 86 86 ARG H H 147 7.971 7.942 0.029 1
1 993 . 3 1 1 A 86 86 ARG N N 147 118.395 119.111 -0.716 1
1 995 . 3 1 1 A 87 87 GLU CA C 148 59.392 59.193 0.199 1
1 996 . 3 1 1 A 87 87 GLU CB C 148 29.740 29.331 0.409 1
1 998 . 3 1 1 A 87 87 GLU HA H 148 4.120 4.094 0.026 1
1 1003 . 3 1 1 A 87 87 GLU H H 148 7.895 7.994 -0.099 1
1 1004 . 3 1 1 A 87 87 GLU N N 148 116.934 118.462 -1.528 1
1 1005 . 3 1 1 A 88 88 GLU CA C 149 58.455 58.741 -0.286 1
1 1006 . 3 1 1 A 88 88 GLU CB C 149 29.306 29.783 -0.477 1
1 1008 . 3 1 1 A 88 88 GLU HA H 149 4.279 4.170 0.109 1
1 1013 . 3 1 1 A 88 88 GLU H H 149 8.228 8.056 0.172 1
1 1014 . 3 1 1 A 88 88 GLU N N 149 116.458 119.215 -2.757 1
1 1015 . 3 1 1 A 89 89 LEU CA C 150 57.767 54.680 3.087 1
1 1016 . 3 1 1 A 89 89 LEU CB C 150 42.450 42.392 0.058 1
1 1020 . 3 1 1 A 89 89 LEU HA H 150 4.239 4.381 -0.142 1
1 1024 . 3 1 1 A 89 89 LEU H H 150 8.401 8.022 0.379 1
1 1025 . 3 1 1 A 89 89 LEU N N 150 117.854 117.330 0.524 1
1 1032 . 3 1 1 A 90 90 ASP CA C 151 56.503 56.166 0.337 1
1 1033 . 3 1 1 A 90 90 ASP CB C 151 42.435 40.999 1.436 1
1 1034 . 3 1 1 A 90 90 ASP HA H 151 5.034 4.613 0.421 1
1 1037 . 3 1 1 A 90 90 ASP H H 151 8.524 7.975 0.549 1
1 1038 . 3 1 1 A 90 90 ASP N N 151 118.978 119.078 -0.100 1
1 1039 . 3 1 1 A 91 91 LYS CA C 152 58.455 58.924 -0.469 1
1 1040 . 3 1 1 A 91 91 LYS CB C 152 33.021 32.633 0.388 1
1 1044 . 3 1 1 A 91 91 LYS HA H 152 4.279 4.074 0.205 1
1 1049 . 3 1 1 A 91 91 LYS H H 152 7.348 7.544 -0.196 1
1 1050 . 3 1 1 A 91 91 LYS N N 152 114.172 117.511 -3.339 1
1 1053 . 3 1 1 A 92 92 ILE CA C 153 61.448 62.647 -1.199 1
1 1054 . 3 1 1 A 92 92 ILE CB C 153 39.068 37.385 1.683 1
1 1058 . 3 1 1 A 92 92 ILE HA H 153 4.427 3.687 0.740 1
1 1062 . 3 1 1 A 92 92 ILE H H 153 7.597 7.978 -0.381 1
1 1063 . 3 1 1 A 92 92 ILE N N 153 114.441 121.125 -6.684 1
1 1070 . 3 1 1 A 93 93 THR CA C 154 65.433 64.631 0.802 1
1 1071 . 3 1 1 A 93 93 THR CB C 154 67.799 69.147 -1.348 1
1 1073 . 3 1 1 A 93 93 THR HA H 154 3.879 3.990 -0.111 1
1 1075 . 3 1 1 A 93 93 THR H H 154 8.195 7.661 0.534 1
1 1076 . 3 1 1 A 93 93 THR N N 154 110.253 112.611 -2.358 1
1 1080 . 3 1 1 A 94 94 ASP CA C 155 57.822 57.079 0.743 1
1 1081 . 3 1 1 A 94 94 ASP CB C 155 41.397 41.396 0.001 1
1 1082 . 3 1 1 A 94 94 ASP HA H 155 4.514 4.356 0.158 1
1 1085 . 3 1 1 A 94 94 ASP H H 155 8.474 7.750 0.724 1
1 1086 . 3 1 1 A 94 94 ASP N N 155 124.348 122.297 2.051 1
1 1087 . 3 1 1 A 95 95 ARG CA C 156 57.783 58.858 -1.075 1
1 1088 . 3 1 1 A 95 95 ARG CB C 156 29.386 29.861 -0.475 1
1 1091 . 3 1 1 A 95 95 ARG HA H 156 4.173 4.078 0.095 1
1 1096 . 3 1 1 A 95 95 ARG H H 156 7.680 8.594 -0.914 1
1 1097 . 3 1 1 A 95 95 ARG N N 156 117.839 117.000 0.839 1
1 1099 . 3 1 1 A 96 96 TRP CB C 157 29.856 29.846 0.010 1
1 1105 . 3 1 1 A 96 96 TRP HA H 157 4.943 4.765 0.178 1
1 1112 . 3 1 1 A 96 96 TRP H H 157 7.880 7.753 0.127 1
1 1115 . 3 1 1 A 96 96 TRP N N 157 117.944 119.508 -1.564 1
1 1117 . 3 1 1 A 97 97 GLY CA C 158 46.688 46.283 0.405 1
1 1118 . 3 1 1 A 97 97 GLY HA2 H 158 4.411 4.020 0.391 1
1 1119 . 3 1 1 A 97 97 GLY HA3 H 158 4.249 4.044 0.205 1
1 1120 . 3 1 1 A 97 97 GLY H H 158 7.972 8.093 -0.121 1
1 1121 . 3 1 1 A 97 97 GLY N N 158 104.253 109.322 -5.069 1
1 1122 . 3 1 1 A 98 98 VAL CA C 159 60.417 59.254 1.163 1
1 1123 . 3 1 1 A 98 98 VAL CB C 159 36.365 34.867 1.498 1
1 1126 . 3 1 1 A 98 98 VAL HA H 159 5.012 4.673 0.339 1
1 1128 . 3 1 1 A 98 98 VAL H H 159 7.468 7.602 -0.134 1
1 1129 . 3 1 1 A 98 98 VAL N N 159 115.979 120.799 -4.820 1
1 1136 . 3 1 1 A 99 99 LYS CA C 160 53.521 54.491 -0.970 1
1 1137 . 3 1 1 A 99 99 LYS CB C 160 36.083 36.202 -0.119 1
1 1141 . 3 1 1 A 99 99 LYS HA H 160 5.053 5.110 -0.057 1
1 1148 . 3 1 1 A 99 99 LYS H H 160 9.259 8.586 0.673 1
1 1149 . 3 1 1 A 99 99 LYS N N 160 126.977 127.919 -0.942 1
1 1151 . 3 1 1 A 100 100 ILE CB C 161 35.185 37.230 -2.045 1
1 1155 . 3 1 1 A 100 100 ILE HA H 161 4.896 4.417 0.479 1
1 1159 . 3 1 1 A 100 100 ILE H H 161 9.310 9.032 0.278 1
1 1160 . 3 1 1 A 100 100 ILE N N 161 127.468 126.952 0.516 1
1 1167 . 3 1 1 A 101 101 THR CA C 162 63.075 65.632 -2.557 1
1 1168 . 3 1 1 A 101 101 THR CB C 162 67.345 68.729 -1.384 1
1 1170 . 3 1 1 A 101 101 THR HA H 162 4.254 4.173 0.081 1
1 1172 . 3 1 1 A 101 101 THR H H 162 8.783 8.709 0.074 1
1 1173 . 3 1 1 A 101 101 THR N N 162 120.609 120.754 -0.145 1
1 1177 . 3 1 1 A 102 102 ARG CA C 163 55.929 54.647 1.282 1
1 1178 . 3 1 1 A 102 102 ARG CB C 163 32.468 32.599 -0.131 1
1 1181 . 3 1 1 A 102 102 ARG HA H 163 4.606 4.676 -0.070 1
1 1188 . 3 1 1 A 102 102 ARG H H 163 7.669 7.675 -0.006 1
1 1189 . 3 1 1 A 102 102 ARG N N 163 118.258 118.623 -0.365 1
1 1190 . 3 1 1 A 103 103 VAL CB C 164 35.090 35.480 -0.390 1
1 1193 . 3 1 1 A 103 103 VAL HA H 164 4.886 4.837 0.049 1
1 1195 . 3 1 1 A 103 103 VAL H H 164 8.700 8.382 0.318 1
1 1196 . 3 1 1 A 103 103 VAL N N 164 122.135 119.282 2.853 1
1 1203 . 3 1 1 A 104 104 GLU CA C 165 54.469 54.376 0.093 1
1 1204 . 3 1 1 A 104 104 GLU CB C 165 33.028 33.578 -0.550 1
1 1206 . 3 1 1 A 104 104 GLU HA H 165 4.835 5.093 -0.258 1
1 1209 . 3 1 1 A 104 104 GLU H H 165 9.011 8.503 0.508 1
1 1210 . 3 1 1 A 104 104 GLU N N 165 123.789 124.715 -0.926 1
1 1212 . 3 1 1 A 105 105 ILE CA C 166 61.576 59.892 1.684 1
1 1213 . 3 1 1 A 105 105 ILE CB C 166 37.908 40.210 -2.302 1
1 1217 . 3 1 1 A 105 105 ILE HA H 166 4.525 4.743 -0.218 1
1 1219 . 3 1 1 A 105 105 ILE H H 166 9.869 8.776 1.093 1
1 1220 . 3 1 1 A 105 105 ILE N N 166 130.058 124.231 5.827 1
1 1229 . 3 1 1 A 106 106 GLN CA C 167 55.964 54.158 1.806 1
1 1230 . 3 1 1 A 106 106 GLN CB C 167 28.789 30.801 -2.012 1
1 1232 . 3 1 1 A 106 106 GLN HA H 167 4.661 4.665 -0.004 1
1 1239 . 3 1 1 A 106 106 GLN H H 167 8.573 8.528 0.045 1
1 1240 . 3 1 1 A 106 106 GLN N N 167 127.576 125.202 2.374 1
1 1242 . 3 1 1 A 107 107 ARG CA C 168 56.113 56.262 -0.149 1
1 1243 . 3 1 1 A 107 107 ARG CB C 168 32.098 30.415 1.683 1
1 1246 . 3 1 1 A 107 107 ARG HA H 168 4.468 4.140 0.328 1
1 1251 . 3 1 1 A 107 107 ARG H H 168 8.762 8.421 0.341 1
1 1252 . 3 1 1 A 107 107 ARG N N 168 122.725 121.594 1.131 1
1 1254 . 3 1 1 A 108 108 ILE CA C 169 61.618 59.833 1.785 1
1 1255 . 3 1 1 A 108 108 ILE CB C 169 39.583 40.185 -0.602 1
1 1259 . 3 1 1 A 108 108 ILE HA H 169 4.451 4.734 -0.283 1
1 1263 . 3 1 1 A 108 108 ILE H H 169 7.996 8.442 -0.446 1
1 1264 . 3 1 1 A 108 108 ILE N N 169 120.383 123.541 -3.158 1
1 1271 . 3 1 1 A 109 109 ASP CA C 170 51.571 50.107 1.464 1
1 1272 . 3 1 1 A 109 109 ASP CB C 170 42.763 43.300 -0.537 1
1 1273 . 3 1 1 A 109 109 ASP HA H 170 5.579 5.065 0.514 1
1 1276 . 3 1 1 A 109 109 ASP H H 170 9.067 8.499 0.568 1
1 1277 . 3 1 1 A 109 109 ASP N N 170 126.604 124.451 2.153 1
1 1278 . 3 1 1 A 110 110 PRO CA C 171 61.302 61.409 -0.107 1
1 1279 . 3 1 1 A 110 110 PRO CB C 171 30.857 31.347 -0.490 1
1 1282 . 3 1 1 A 110 110 PRO HA H 171 5.081 4.733 0.348 1
1 1288 . 3 1 1 A 111 111 PRO CA C 172 63.367 62.374 0.993 1
1 1289 . 3 1 1 A 111 111 PRO CB C 172 32.050 32.220 -0.170 1
1 1292 . 3 1 1 A 111 111 PRO HA H 172 4.568 4.568 0.000 1
1 1298 . 3 1 1 A 112 112 LYS CA C 173 55.951 55.781 0.170 1
1 1299 . 3 1 1 A 112 112 LYS CB C 173 33.412 33.382 0.030 1
1 1303 . 3 1 1 A 112 112 LYS HA H 173 4.465 4.538 -0.073 1
1 1306 . 3 1 1 A 112 112 LYS H H 173 8.533 8.471 0.062 1
1 1307 . 3 1 1 A 112 112 LYS N N 173 122.499 120.848 1.651 1
1 1 . 4 1 1 A 2 2 SER HA H 63 4.660 4.714 -0.054 1
1 4 . 4 1 1 A 2 2 SER CB C 63 63.645 64.909 -1.264 1
1 5 . 4 1 1 A 3 3 ASP HA H 64 4.688 4.640 0.048 1
1 8 . 4 1 1 A 3 3 ASP H H 64 8.603 8.525 0.078 1
1 9 . 4 1 1 A 3 3 ASP CA C 64 54.354 56.486 -2.132 1
1 10 . 4 1 1 A 3 3 ASP CB C 64 40.980 41.481 -0.501 1
1 11 . 4 1 1 A 3 3 ASP N N 64 122.069 123.565 -1.496 1
1 12 . 4 1 1 A 4 4 HIS HA H 65 4.735 4.642 0.093 1
1 17 . 4 1 1 A 4 4 HIS H H 65 8.354 7.619 0.735 1
1 18 . 4 1 1 A 4 4 HIS CA C 65 56.220 57.239 -1.019 1
1 19 . 4 1 1 A 4 4 HIS CB C 65 30.570 30.717 -0.147 1
1 22 . 4 1 1 A 4 4 HIS N N 65 119.219 117.141 2.078 1
1 29 . 4 1 1 A 5 5 VAL HA H 66 4.183 4.530 -0.347 1
1 31 . 4 1 1 A 5 5 VAL H H 66 8.073 8.780 -0.707 1
1 32 . 4 1 1 A 5 5 VAL CA C 66 62.127 60.853 1.274 1
1 33 . 4 1 1 A 5 5 VAL CB C 66 32.960 35.154 -2.194 1
1 36 . 4 1 1 A 5 5 VAL N N 66 121.775 121.225 0.550 1
1 37 . 4 1 1 A 6 6 ASP CA C 67 53.727 56.406 -2.679 1
1 38 . 4 1 1 A 6 6 ASP CB C 67 41.472 40.549 0.923 1
1 39 . 4 1 1 A 6 6 ASP HA H 67 4.771 4.510 0.261 1
1 42 . 4 1 1 A 6 6 ASP H H 67 8.615 8.797 -0.182 1
1 43 . 4 1 1 A 6 6 ASP N N 67 124.725 127.231 -2.506 1
1 44 . 4 1 1 A 7 7 LEU CA C 68 54.586 55.981 -1.395 1
1 45 . 4 1 1 A 7 7 LEU CB C 68 41.657 41.317 0.340 1
1 49 . 4 1 1 A 7 7 LEU HA H 68 4.556 3.929 0.627 1
1 53 . 4 1 1 A 7 7 LEU H H 68 8.441 7.988 0.453 1
1 54 . 4 1 1 A 7 7 LEU N N 68 123.747 119.463 4.284 1
1 61 . 4 1 1 A 8 8 ARG CA C 69 56.247 54.902 1.345 1
1 62 . 4 1 1 A 8 8 ARG CB C 69 30.828 29.589 1.239 1
1 65 . 4 1 1 A 8 8 ARG HA H 69 4.253 4.286 -0.033 1
1 70 . 4 1 1 A 8 8 ARG H H 69 8.209 7.929 0.280 1
1 71 . 4 1 1 A 8 8 ARG N N 69 121.063 118.984 2.079 1
1 73 . 4 1 1 A 9 9 GLU CA C 70 55.691 55.931 -0.240 1
1 74 . 4 1 1 A 9 9 GLU CB C 70 31.777 30.041 1.736 1
1 76 . 4 1 1 A 9 9 GLU HA H 70 4.655 3.920 0.735 1
1 79 . 4 1 1 A 9 9 GLU H H 70 8.338 7.894 0.444 1
1 80 . 4 1 1 A 9 9 GLU N N 70 121.677 124.754 -3.077 1
1 82 . 4 1 1 A 10 10 HIS CA C 71 54.619 54.331 0.288 1
1 83 . 4 1 1 A 10 10 HIS CB C 71 32.189 33.745 -1.556 1
1 86 . 4 1 1 A 10 10 HIS HA H 71 4.716 4.744 -0.028 1
1 91 . 4 1 1 A 10 10 HIS H H 71 9.043 8.545 0.498 1
1 92 . 4 1 1 A 10 10 HIS N N 71 125.575 118.938 6.637 1
1 93 . 4 1 1 A 11 11 VAL CA C 72 60.567 60.082 0.485 1
1 94 . 4 1 1 A 11 11 VAL CB C 72 35.380 33.877 1.503 1
1 97 . 4 1 1 A 11 11 VAL HA H 72 4.951 4.514 0.437 1
1 99 . 4 1 1 A 11 11 VAL H H 72 8.218 8.690 -0.472 1
1 100 . 4 1 1 A 11 11 VAL N N 72 117.348 121.993 -4.645 1
1 107 . 4 1 1 A 12 12 ILE CA C 73 59.857 60.087 -0.230 1
1 108 . 4 1 1 A 12 12 ILE CB C 73 41.969 39.422 2.547 1
1 112 . 4 1 1 A 12 12 ILE HA H 73 4.464 4.963 -0.499 1
1 116 . 4 1 1 A 12 12 ILE H H 73 9.272 9.003 0.269 1
1 117 . 4 1 1 A 12 12 ILE N N 73 126.908 129.409 -2.501 1
1 124 . 4 1 1 A 13 13 ASP CB C 74 41.534 40.819 0.715 1
1 125 . 4 1 1 A 13 13 ASP HA H 74 4.885 4.961 -0.076 1
1 128 . 4 1 1 A 13 13 ASP H H 74 8.501 8.934 -0.433 1
1 129 . 4 1 1 A 13 13 ASP N N 74 126.253 128.414 -2.161 1
1 130 . 4 1 1 A 14 14 VAL CA C 75 59.550 59.822 -0.272 1
1 131 . 4 1 1 A 14 14 VAL CB C 75 32.270 33.736 -1.466 1
1 134 . 4 1 1 A 14 14 VAL HA H 75 4.491 4.612 -0.121 1
1 136 . 4 1 1 A 14 14 VAL H H 75 8.758 8.893 -0.135 1
1 137 . 4 1 1 A 14 14 VAL N N 75 124.997 125.568 -0.571 1
1 144 . 4 1 1 A 15 15 PRO CB C 76 30.981 31.712 -0.731 1
1 147 . 4 1 1 A 15 15 PRO HA H 76 4.837 4.679 0.158 1
1 153 . 4 1 1 A 16 16 PRO CB C 77 32.267 32.712 -0.445 1
1 156 . 4 1 1 A 16 16 PRO HA H 77 4.881 4.772 0.109 1
1 162 . 4 1 1 A 17 17 GLN CA C 78 53.332 55.078 -1.746 1
1 163 . 4 1 1 A 17 17 GLN CB C 78 33.352 32.383 0.969 1
1 165 . 4 1 1 A 17 17 GLN HA H 78 4.768 4.639 0.129 1
1 170 . 4 1 1 A 17 17 GLN H H 78 8.612 8.413 0.199 1
1 171 . 4 1 1 A 17 17 GLN N N 78 119.550 121.732 -2.182 1
1 175 . 4 1 1 A 18 18 GLU CA C 79 55.955 56.234 -0.279 1
1 176 . 4 1 1 A 18 18 GLU CB C 79 30.087 30.581 -0.494 1
1 178 . 4 1 1 A 18 18 GLU HA H 79 5.070 4.733 0.337 1
1 183 . 4 1 1 A 18 18 GLU H H 79 8.626 8.870 -0.244 1
1 184 . 4 1 1 A 18 18 GLU N N 79 123.226 126.405 -3.179 1
1 185 . 4 1 1 A 19 19 VAL CA C 80 60.191 60.697 -0.506 1
1 186 . 4 1 1 A 19 19 VAL CB C 80 34.901 35.101 -0.200 1
1 189 . 4 1 1 A 19 19 VAL HA H 80 4.562 4.636 -0.074 1
1 191 . 4 1 1 A 19 19 VAL H H 80 9.568 8.852 0.716 1
1 192 . 4 1 1 A 19 19 VAL N N 80 123.365 124.573 -1.208 1
1 199 . 4 1 1 A 20 20 ILE CA C 81 60.810 61.646 -0.836 1
1 200 . 4 1 1 A 20 20 ILE CB C 81 39.198 37.081 2.117 1
1 204 . 4 1 1 A 20 20 ILE HA H 81 4.678 4.039 0.639 1
1 208 . 4 1 1 A 20 20 ILE H H 81 8.048 8.695 -0.647 1
1 209 . 4 1 1 A 20 20 ILE N N 81 122.564 128.229 -5.665 1
1 216 . 4 1 1 A 21 21 CYS CB C 82 29.386 28.839 0.547 1
1 217 . 4 1 1 A 21 21 CYS HA H 82 4.932 4.479 0.453 1
1 220 . 4 1 1 A 21 21 CYS H H 82 8.796 8.947 -0.151 1
1 221 . 4 1 1 A 21 21 CYS N N 82 125.960 126.728 -0.768 1
1 222 . 4 1 1 A 22 22 LYS CA C 83 59.330 59.081 0.249 1
1 223 . 4 1 1 A 22 22 LYS CB C 83 33.478 32.320 1.158 1
1 227 . 4 1 1 A 22 22 LYS HA H 83 4.096 4.031 0.065 1
1 234 . 4 1 1 A 22 22 LYS H H 83 8.735 8.500 0.235 1
1 235 . 4 1 1 A 22 22 LYS N N 83 123.785 125.200 -1.415 1
1 237 . 4 1 1 A 23 23 ASP CA C 84 53.011 53.226 -0.215 1
1 238 . 4 1 1 A 23 23 ASP CB C 84 38.642 40.709 -2.067 1
1 239 . 4 1 1 A 23 23 ASP HA H 84 4.694 4.767 -0.073 1
1 242 . 4 1 1 A 23 23 ASP H H 84 8.667 7.735 0.932 1
1 243 . 4 1 1 A 23 23 ASP N N 84 112.676 117.966 -5.290 1
1 244 . 4 1 1 A 24 24 ASN CA C 85 54.989 54.106 0.883 1
1 245 . 4 1 1 A 24 24 ASN CB C 85 36.698 37.144 -0.446 1
1 246 . 4 1 1 A 24 24 ASN HA H 85 4.321 4.385 -0.064 1
1 251 . 4 1 1 A 24 24 ASN H H 85 8.264 7.727 0.537 1
1 252 . 4 1 1 A 24 24 ASN N N 85 112.321 117.617 -5.296 1
1 254 . 4 1 1 A 25 25 VAL CA C 86 61.920 61.217 0.703 1
1 255 . 4 1 1 A 25 25 VAL CB C 86 33.581 33.621 -0.040 1
1 258 . 4 1 1 A 25 25 VAL HA H 86 4.247 4.405 -0.158 1
1 260 . 4 1 1 A 25 25 VAL H H 86 6.817 7.629 -0.812 1
1 261 . 4 1 1 A 25 25 VAL N N 86 117.663 118.667 -1.004 1
1 268 . 4 1 1 A 26 26 VAL CA C 87 62.127 61.815 0.312 1
1 269 . 4 1 1 A 26 26 VAL CB C 87 32.468 32.124 0.344 1
1 272 . 4 1 1 A 26 26 VAL HA H 87 4.710 4.494 0.216 1
1 274 . 4 1 1 A 26 26 VAL H H 87 8.467 8.770 -0.303 1
1 275 . 4 1 1 A 26 26 VAL N N 87 128.149 129.189 -1.040 1
1 282 . 4 1 1 A 27 27 VAL CA C 88 58.409 59.423 -1.014 1
1 283 . 4 1 1 A 27 27 VAL CB C 88 34.991 35.776 -0.785 1
1 286 . 4 1 1 A 27 27 VAL HA H 88 4.995 4.856 0.139 1
1 288 . 4 1 1 A 27 27 VAL H H 88 8.983 8.775 0.208 1
1 289 . 4 1 1 A 27 27 VAL N N 88 119.421 122.834 -3.413 1
1 296 . 4 1 1 A 28 28 THR CA C 89 62.180 62.711 -0.531 1
1 297 . 4 1 1 A 28 28 THR CB C 89 69.351 69.160 0.191 1
1 299 . 4 1 1 A 28 28 THR HA H 89 5.249 4.604 0.645 1
1 301 . 4 1 1 A 28 28 THR H H 89 8.544 8.862 -0.318 1
1 302 . 4 1 1 A 28 28 THR N N 89 118.810 120.284 -1.474 1
1 306 . 4 1 1 A 29 29 VAL CA C 90 58.826 59.817 -0.991 1
1 307 . 4 1 1 A 29 29 VAL CB C 90 36.035 34.485 1.550 1
1 310 . 4 1 1 A 29 29 VAL HA H 90 5.527 5.031 0.496 1
1 312 . 4 1 1 A 29 29 VAL H H 90 8.818 8.455 0.363 1
1 313 . 4 1 1 A 29 29 VAL N N 90 123.670 127.819 -4.149 1
1 320 . 4 1 1 A 30 30 ASP CA C 91 52.821 52.489 0.332 1
1 321 . 4 1 1 A 30 30 ASP CB C 91 42.960 44.902 -1.942 1
1 322 . 4 1 1 A 30 30 ASP HA H 91 4.785 5.621 -0.836 1
1 325 . 4 1 1 A 30 30 ASP H H 91 8.478 9.117 -0.639 1
1 326 . 4 1 1 A 30 30 ASP N N 91 125.411 126.748 -1.337 1
1 327 . 4 1 1 A 31 31 ALA CA C 92 51.718 51.166 0.552 1
1 328 . 4 1 1 A 31 31 ALA CB C 92 22.216 24.030 -1.814 1
1 329 . 4 1 1 A 31 31 ALA HA H 92 5.268 4.893 0.375 1
1 330 . 4 1 1 A 31 31 ALA H H 92 8.075 8.620 -0.545 1
1 331 . 4 1 1 A 31 31 ALA N N 92 116.806 121.247 -4.441 1
1 335 . 4 1 1 A 32 32 VAL CB C 93 34.772 35.264 -0.492 1
1 338 . 4 1 1 A 32 32 VAL HA H 93 4.901 4.998 -0.097 1
1 340 . 4 1 1 A 32 32 VAL H H 93 8.306 9.035 -0.729 1
1 341 . 4 1 1 A 32 32 VAL N N 93 117.482 112.322 5.160 1
1 348 . 4 1 1 A 33 33 VAL CA C 94 61.058 61.117 -0.059 1
1 349 . 4 1 1 A 33 33 VAL CB C 94 34.773 35.088 -0.315 1
1 352 . 4 1 1 A 33 33 VAL HA H 94 4.515 4.837 -0.322 1
1 354 . 4 1 1 A 33 33 VAL H H 94 8.873 8.810 0.063 1
1 355 . 4 1 1 A 33 33 VAL N N 94 124.653 121.584 3.069 1
1 362 . 4 1 1 A 34 34 TYR CA C 95 56.333 58.298 -1.965 1
1 363 . 4 1 1 A 34 34 TYR CB C 95 40.336 40.443 -0.107 1
1 366 . 4 1 1 A 34 34 TYR HA H 95 5.834 5.462 0.372 1
1 371 . 4 1 1 A 34 34 TYR H H 95 8.989 8.796 0.193 1
1 372 . 4 1 1 A 34 34 TYR N N 95 126.081 127.209 -1.128 1
1 375 . 4 1 1 A 35 35 TYR CA C 96 55.679 56.510 -0.831 1
1 376 . 4 1 1 A 35 35 TYR CB C 96 42.824 40.849 1.975 1
1 379 . 4 1 1 A 35 35 TYR HA H 96 6.097 5.552 0.545 1
1 384 . 4 1 1 A 35 35 TYR H H 96 9.102 8.363 0.739 1
1 385 . 4 1 1 A 35 35 TYR N N 96 117.188 118.450 -1.262 1
1 388 . 4 1 1 A 36 36 GLN CB C 97 33.643 32.657 0.986 1
1 390 . 4 1 1 A 36 36 GLN HA H 97 4.942 4.806 0.136 1
1 395 . 4 1 1 A 36 36 GLN H H 97 9.441 8.579 0.862 1
1 396 . 4 1 1 A 36 36 GLN N N 97 118.000 118.506 -0.506 1
1 399 . 4 1 1 A 37 37 VAL CA C 98 63.621 63.011 0.610 1
1 400 . 4 1 1 A 37 37 VAL CB C 98 31.380 30.915 0.465 1
1 403 . 4 1 1 A 37 37 VAL HA H 98 4.286 4.130 0.156 1
1 405 . 4 1 1 A 37 37 VAL H H 98 9.692 8.897 0.795 1
1 406 . 4 1 1 A 37 37 VAL N N 98 126.436 122.943 3.493 1
1 413 . 4 1 1 A 38 38 ILE CA C 99 61.011 62.552 -1.541 1
1 414 . 4 1 1 A 38 38 ILE CB C 99 38.943 38.141 0.802 1
1 418 . 4 1 1 A 38 38 ILE HA H 99 4.514 4.141 0.373 1
1 422 . 4 1 1 A 38 38 ILE H H 99 8.540 8.483 0.057 1
1 423 . 4 1 1 A 38 38 ILE N N 99 123.480 124.074 -0.594 1
1 430 . 4 1 1 A 39 39 ASP CA C 100 50.850 51.129 -0.279 1
1 431 . 4 1 1 A 39 39 ASP CB C 100 41.979 41.918 0.061 1
1 432 . 4 1 1 A 39 39 ASP HA H 100 5.326 4.995 0.331 1
1 435 . 4 1 1 A 39 39 ASP H H 100 8.135 7.471 0.664 1
1 436 . 4 1 1 A 39 39 ASP N N 100 119.056 121.861 -2.805 1
1 437 . 4 1 1 A 40 40 PRO CA C 101 64.279 64.056 0.223 1
1 438 . 4 1 1 A 40 40 PRO CB C 101 32.510 31.788 0.722 1
1 441 . 4 1 1 A 40 40 PRO HA H 101 4.299 4.354 -0.055 1
1 448 . 4 1 1 A 41 41 VAL CA C 102 65.120 65.551 -0.431 1
1 449 . 4 1 1 A 41 41 VAL CB C 102 31.406 31.892 -0.486 1
1 452 . 4 1 1 A 41 41 VAL HA H 102 3.886 3.783 0.103 1
1 454 . 4 1 1 A 41 41 VAL H H 102 7.936 7.315 0.621 1
1 455 . 4 1 1 A 41 41 VAL N N 102 118.168 116.552 1.616 1
1 462 . 4 1 1 A 42 42 LYS CA C 103 57.852 59.251 -1.399 1
1 463 . 4 1 1 A 42 42 LYS CB C 103 33.597 32.355 1.242 1
1 467 . 4 1 1 A 42 42 LYS HA H 103 4.242 4.226 0.016 1
1 472 . 4 1 1 A 42 42 LYS H H 103 7.240 7.844 -0.604 1
1 473 . 4 1 1 A 42 42 LYS N N 103 118.280 119.663 -1.383 1
1 476 . 4 1 1 A 43 43 ALA CA C 104 53.615 51.744 1.871 1
1 477 . 4 1 1 A 43 43 ALA CB C 104 18.578 19.028 -0.450 1
1 478 . 4 1 1 A 43 43 ALA HA H 104 4.632 4.289 0.343 1
1 479 . 4 1 1 A 43 43 ALA H H 104 7.702 7.389 0.313 1
1 480 . 4 1 1 A 43 43 ALA N N 104 122.122 120.177 1.945 1
1 484 . 4 1 1 A 44 44 VAL CA C 105 62.530 61.843 0.687 1
1 485 . 4 1 1 A 44 44 VAL CB C 105 31.680 31.253 0.427 1
1 488 . 4 1 1 A 44 44 VAL HA H 105 4.197 4.217 -0.020 1
1 490 . 4 1 1 A 44 44 VAL H H 105 7.682 7.704 -0.022 1
1 491 . 4 1 1 A 44 44 VAL N N 105 115.037 119.023 -3.986 1
1 498 . 4 1 1 A 45 45 TYR CA C 106 57.222 56.752 0.470 1
1 499 . 4 1 1 A 45 45 TYR CB C 106 38.651 37.905 0.746 1
1 502 . 4 1 1 A 45 45 TYR HA H 106 4.652 4.822 -0.170 1
1 505 . 4 1 1 A 45 45 TYR H H 106 7.436 7.514 -0.078 1
1 506 . 4 1 1 A 45 45 TYR N N 106 118.804 120.638 -1.834 1
1 510 . 4 1 1 A 46 46 ASN CB C 107 39.028 37.039 1.989 1
1 511 . 4 1 1 A 46 46 ASN HA H 107 4.959 4.383 0.576 1
1 516 . 4 1 1 A 46 46 ASN H H 107 8.614 8.117 0.497 1
1 517 . 4 1 1 A 46 46 ASN N N 107 118.495 113.602 4.893 1
1 519 . 4 1 1 A 47 47 VAL CA C 108 65.178 63.174 2.004 1
1 520 . 4 1 1 A 47 47 VAL CB C 108 32.022 30.405 1.617 1
1 523 . 4 1 1 A 47 47 VAL HA H 108 3.952 3.733 0.219 1
1 525 . 4 1 1 A 47 47 VAL H H 108 8.342 7.923 0.419 1
1 526 . 4 1 1 A 47 47 VAL N N 108 123.377 118.128 5.249 1
1 533 . 4 1 1 A 48 48 SER CA C 109 61.473 61.607 -0.134 1
1 534 . 4 1 1 A 48 48 SER CB C 109 62.248 63.718 -1.470 1
1 535 . 4 1 1 A 48 48 SER HA H 109 4.298 4.389 -0.091 1
1 536 . 4 1 1 A 48 48 SER H H 109 8.353 7.892 0.461 1
1 537 . 4 1 1 A 48 48 SER N N 109 116.439 115.800 0.639 1
1 539 . 4 1 1 A 49 49 ASP CA C 110 56.211 57.228 -1.017 1
1 540 . 4 1 1 A 49 49 ASP CB C 110 40.691 40.216 0.475 1
1 541 . 4 1 1 A 49 49 ASP HA H 110 4.534 4.204 0.330 1
1 542 . 4 1 1 A 49 49 ASP H H 110 7.832 8.379 -0.547 1
1 543 . 4 1 1 A 49 49 ASP N N 110 121.141 122.168 -1.027 1
1 545 . 4 1 1 A 50 50 PHE CA C 111 60.009 60.961 -0.952 1
1 546 . 4 1 1 A 50 50 PHE CB C 111 38.598 39.452 -0.854 1
1 550 . 4 1 1 A 50 50 PHE HA H 111 3.486 4.142 -0.656 1
1 555 . 4 1 1 A 50 50 PHE H H 111 8.044 8.255 -0.211 1
1 557 . 4 1 1 A 50 50 PHE N N 111 122.621 122.017 0.604 1
1 560 . 4 1 1 A 51 51 LEU CA C 112 58.009 58.047 -0.038 1
1 561 . 4 1 1 A 51 51 LEU CB C 112 41.213 42.224 -1.011 1
1 565 . 4 1 1 A 51 51 LEU HA H 112 3.546 3.678 -0.132 1
1 569 . 4 1 1 A 51 51 LEU H H 112 8.046 8.365 -0.319 1
1 570 . 4 1 1 A 51 51 LEU N N 112 119.691 120.250 -0.559 1
1 577 . 4 1 1 A 52 52 MET CA C 113 57.696 57.676 0.020 1
1 578 . 4 1 1 A 52 52 MET CB C 113 32.289 32.339 -0.050 1
1 581 . 4 1 1 A 52 52 MET HA H 113 4.231 4.166 0.065 1
1 586 . 4 1 1 A 52 52 MET H H 113 7.563 8.323 -0.760 1
1 587 . 4 1 1 A 52 52 MET N N 113 115.770 117.048 -1.278 1
1 591 . 4 1 1 A 53 53 ALA CA C 114 54.815 54.862 -0.047 1
1 592 . 4 1 1 A 53 53 ALA CB C 114 18.369 18.565 -0.196 1
1 593 . 4 1 1 A 53 53 ALA HA H 114 4.199 4.120 0.079 1
1 594 . 4 1 1 A 53 53 ALA H H 114 7.878 8.256 -0.378 1
1 595 . 4 1 1 A 53 53 ALA N N 114 121.804 122.959 -1.155 1
1 599 . 4 1 1 A 54 54 ILE CA C 115 63.259 64.882 -1.623 1
1 600 . 4 1 1 A 54 54 ILE CB C 115 36.127 37.663 -1.536 1
1 604 . 4 1 1 A 54 54 ILE HA H 115 3.767 3.558 0.209 1
1 608 . 4 1 1 A 54 54 ILE H H 115 8.202 8.148 0.054 1
1 609 . 4 1 1 A 54 54 ILE N N 115 118.054 119.044 -0.990 1
1 616 . 4 1 1 A 55 55 VAL CA C 116 68.036 65.659 2.377 1
1 617 . 4 1 1 A 55 55 VAL CB C 116 31.463 31.375 0.088 1
1 620 . 4 1 1 A 55 55 VAL HA H 116 3.509 3.711 -0.202 1
1 622 . 4 1 1 A 55 55 VAL H H 116 7.961 7.343 0.618 1
1 623 . 4 1 1 A 55 55 VAL N N 116 121.095 116.569 4.526 1
1 630 . 4 1 1 A 56 56 LYS CA C 117 59.077 58.218 0.859 1
1 631 . 4 1 1 A 56 56 LYS CB C 117 31.997 32.209 -0.212 1
1 635 . 4 1 1 A 56 56 LYS HA H 117 4.297 4.213 0.084 1
1 638 . 4 1 1 A 56 56 LYS H H 117 8.000 7.529 0.471 1
1 639 . 4 1 1 A 56 56 LYS N N 117 118.806 122.130 -3.324 1
1 643 . 4 1 1 A 57 57 LEU CA C 118 57.515 56.836 0.679 1
1 644 . 4 1 1 A 57 57 LEU CB C 118 42.727 41.999 0.728 1
1 648 . 4 1 1 A 57 57 LEU HA H 118 4.286 4.206 0.080 1
1 652 . 4 1 1 A 57 57 LEU H H 118 8.390 7.663 0.727 1
1 653 . 4 1 1 A 57 57 LEU N N 118 120.738 117.623 3.115 1
1 660 . 4 1 1 A 58 58 ALA CA C 119 55.695 54.916 0.779 1
1 661 . 4 1 1 A 58 58 ALA CB C 119 17.984 18.158 -0.174 1
1 662 . 4 1 1 A 58 58 ALA HA H 119 4.131 3.979 0.152 1
1 663 . 4 1 1 A 58 58 ALA H H 119 9.213 8.340 0.873 1
1 664 . 4 1 1 A 58 58 ALA N N 119 123.641 122.355 1.286 1
1 668 . 4 1 1 A 59 59 GLN CA C 120 60.234 58.755 1.479 1
1 669 . 4 1 1 A 59 59 GLN CB C 120 28.353 28.517 -0.164 1
1 671 . 4 1 1 A 59 59 GLN HA H 120 3.972 4.037 -0.065 1
1 678 . 4 1 1 A 59 59 GLN H H 120 8.649 7.480 1.169 1
1 679 . 4 1 1 A 59 59 GLN N N 120 116.453 118.196 -1.743 1
1 681 . 4 1 1 A 60 60 THR CA C 121 66.360 66.632 -0.272 1
1 682 . 4 1 1 A 60 60 THR CB C 121 68.868 68.966 -0.098 1
1 684 . 4 1 1 A 60 60 THR HA H 121 4.076 3.939 0.137 1
1 686 . 4 1 1 A 60 60 THR H H 121 8.566 7.369 1.197 1
1 687 . 4 1 1 A 60 60 THR N N 121 115.479 117.032 -1.553 1
1 691 . 4 1 1 A 61 61 ASN CA C 122 57.397 56.223 1.174 1
1 692 . 4 1 1 A 61 61 ASN CB C 122 39.535 38.363 1.172 1
1 693 . 4 1 1 A 61 61 ASN HA H 122 4.626 4.510 0.116 1
1 698 . 4 1 1 A 61 61 ASN H H 122 8.433 7.961 0.472 1
1 699 . 4 1 1 A 61 61 ASN N N 122 120.652 119.807 0.845 1
1 701 . 4 1 1 A 62 62 LEU CA C 123 58.804 58.165 0.639 1
1 702 . 4 1 1 A 62 62 LEU CB C 123 42.331 41.448 0.883 1
1 706 . 4 1 1 A 62 62 LEU HA H 123 4.068 3.953 0.115 1
1 710 . 4 1 1 A 62 62 LEU H H 123 8.837 8.454 0.383 1
1 711 . 4 1 1 A 62 62 LEU N N 123 121.425 117.587 3.838 1
1 718 . 4 1 1 A 63 63 ARG CA C 124 59.647 59.045 0.602 1
1 719 . 4 1 1 A 63 63 ARG CB C 124 30.112 29.784 0.328 1
1 722 . 4 1 1 A 63 63 ARG HA H 124 4.030 4.063 -0.033 1
1 727 . 4 1 1 A 63 63 ARG H H 124 7.502 8.026 -0.524 1
1 728 . 4 1 1 A 63 63 ARG N N 124 116.156 118.958 -2.802 1
1 730 . 4 1 1 A 64 64 ALA CA C 125 54.793 54.844 -0.051 1
1 731 . 4 1 1 A 64 64 ALA CB C 125 18.471 19.000 -0.529 1
1 732 . 4 1 1 A 64 64 ALA HA H 125 4.260 4.119 0.141 1
1 733 . 4 1 1 A 64 64 ALA H H 125 7.637 7.880 -0.243 1
1 734 . 4 1 1 A 64 64 ALA N N 125 121.808 122.415 -0.607 1
1 738 . 4 1 1 A 65 65 ILE CA C 126 64.917 64.650 0.267 1
1 739 . 4 1 1 A 65 65 ILE CB C 126 39.599 37.954 1.645 1
1 743 . 4 1 1 A 65 65 ILE HA H 126 3.745 3.733 0.012 1
1 747 . 4 1 1 A 65 65 ILE H H 126 8.476 7.415 1.061 1
1 748 . 4 1 1 A 65 65 ILE N N 126 117.948 117.425 0.523 1
1 755 . 4 1 1 A 66 66 ILE CA C 127 64.704 64.818 -0.114 1
1 756 . 4 1 1 A 66 66 ILE CB C 127 37.188 37.522 -0.334 1
1 760 . 4 1 1 A 66 66 ILE HA H 127 3.826 3.755 0.071 1
1 764 . 4 1 1 A 66 66 ILE H H 127 8.130 8.362 -0.232 1
1 765 . 4 1 1 A 66 66 ILE N N 127 118.919 119.332 -0.413 1
1 772 . 4 1 1 A 67 67 GLY CA C 128 46.401 46.677 -0.276 1
1 773 . 4 1 1 A 67 67 GLY HA2 H 128 4.437 3.989 0.448 1
1 774 . 4 1 1 A 67 67 GLY HA3 H 128 3.925 3.990 -0.065 1
1 775 . 4 1 1 A 67 67 GLY H H 128 7.683 7.702 -0.019 1
1 776 . 4 1 1 A 67 67 GLY N N 128 104.485 109.227 -4.742 1
1 777 . 4 1 1 A 68 68 GLU CA C 129 55.446 54.967 0.479 1
1 778 . 4 1 1 A 68 68 GLU CB C 129 30.672 31.943 -1.271 1
1 780 . 4 1 1 A 68 68 GLU HA H 129 4.589 4.964 -0.375 1
1 785 . 4 1 1 A 68 68 GLU H H 129 7.111 8.330 -1.219 1
1 786 . 4 1 1 A 68 68 GLU N N 129 115.084 116.528 -1.444 1
1 787 . 4 1 1 A 69 69 MET CA C 130 55.238 54.682 0.556 1
1 788 . 4 1 1 A 69 69 MET CB C 130 36.559 36.461 0.098 1
1 791 . 4 1 1 A 69 69 MET HA H 130 4.763 4.823 -0.060 1
1 796 . 4 1 1 A 69 69 MET H H 130 8.414 8.617 -0.203 1
1 797 . 4 1 1 A 69 69 MET N N 130 121.732 121.207 0.525 1
1 801 . 4 1 1 A 70 70 GLU CA C 131 56.474 54.816 1.658 1
1 802 . 4 1 1 A 70 70 GLU CB C 131 30.686 32.125 -1.439 1
1 804 . 4 1 1 A 70 70 GLU HA H 131 4.354 4.924 -0.570 1
1 809 . 4 1 1 A 70 70 GLU H H 131 9.395 8.631 0.764 1
1 810 . 4 1 1 A 70 70 GLU N N 131 122.754 119.616 3.138 1
1 811 . 4 1 1 A 71 71 LEU CA C 132 59.955 58.472 1.483 1
1 812 . 4 1 1 A 71 71 LEU CB C 132 40.900 41.997 -1.097 1
1 816 . 4 1 1 A 71 71 LEU HA H 132 4.454 3.952 0.502 1
1 820 . 4 1 1 A 71 71 LEU H H 132 10.320 8.869 1.451 1
1 821 . 4 1 1 A 71 71 LEU N N 132 127.791 128.705 -0.914 1
1 828 . 4 1 1 A 72 72 ASP CA C 133 57.961 57.138 0.823 1
1 829 . 4 1 1 A 72 72 ASP CB C 133 40.031 41.378 -1.347 1
1 830 . 4 1 1 A 72 72 ASP HA H 133 4.452 4.352 0.100 1
1 831 . 4 1 1 A 72 72 ASP H H 133 9.283 8.088 1.195 1
1 832 . 4 1 1 A 72 72 ASP N N 133 117.573 118.542 -0.969 1
1 834 . 4 1 1 A 73 73 GLU CA C 134 58.070 59.355 -1.285 1
1 835 . 4 1 1 A 73 73 GLU CB C 134 30.329 29.697 0.632 1
1 837 . 4 1 1 A 73 73 GLU HA H 134 4.166 4.022 0.144 1
1 842 . 4 1 1 A 73 73 GLU H H 134 7.307 7.820 -0.513 1
1 843 . 4 1 1 A 73 73 GLU N N 134 118.947 119.556 -0.609 1
1 844 . 4 1 1 A 74 74 THR CA C 135 67.017 65.818 1.199 1
1 845 . 4 1 1 A 74 74 THR CB C 135 68.224 68.298 -0.074 1
1 847 . 4 1 1 A 74 74 THR HA H 135 3.966 4.128 -0.162 1
1 849 . 4 1 1 A 74 74 THR H H 135 8.334 8.618 -0.284 1
1 850 . 4 1 1 A 74 74 THR N N 135 116.702 114.180 2.522 1
1 854 . 4 1 1 A 75 75 LEU CA C 136 57.604 58.004 -0.400 1
1 855 . 4 1 1 A 75 75 LEU CB C 136 41.375 41.930 -0.555 1
1 859 . 4 1 1 A 75 75 LEU HA H 136 4.164 3.908 0.256 1
1 863 . 4 1 1 A 75 75 LEU H H 136 8.159 8.063 0.096 1
1 864 . 4 1 1 A 75 75 LEU N N 136 118.009 123.422 -5.413 1
1 871 . 4 1 1 A 76 76 SER CA C 137 58.446 62.658 -4.212 1
1 872 . 4 1 1 A 76 76 SER CB C 137 63.709 62.418 1.291 1
1 873 . 4 1 1 A 76 76 SER HA H 137 4.808 4.172 0.636 1
1 876 . 4 1 1 A 76 76 SER H H 137 7.713 8.084 -0.371 1
1 877 . 4 1 1 A 76 76 SER N N 137 111.428 114.645 -3.217 1
1 878 . 4 1 1 A 77 77 GLY CA C 138 46.311 46.843 -0.532 1
1 879 . 4 1 1 A 77 77 GLY HA2 H 138 4.815 3.892 0.923 1
1 880 . 4 1 1 A 77 77 GLY HA3 H 138 3.860 3.892 -0.032 1
1 881 . 4 1 1 A 77 77 GLY H H 138 7.779 8.732 -0.953 1
1 882 . 4 1 1 A 77 77 GLY N N 138 112.185 108.793 3.392 1
1 883 . 4 1 1 A 78 78 ARG CA C 139 61.186 57.987 3.199 1
1 884 . 4 1 1 A 78 78 ARG CB C 139 29.871 30.254 -0.383 1
1 887 . 4 1 1 A 78 78 ARG HA H 139 3.853 4.138 -0.285 1
1 892 . 4 1 1 A 78 78 ARG H H 139 8.311 8.186 0.125 1
1 893 . 4 1 1 A 78 78 ARG N N 139 121.172 122.207 -1.035 1
1 895 . 4 1 1 A 79 79 ASP CA C 140 57.533 56.541 0.992 1
1 896 . 4 1 1 A 79 79 ASP CB C 140 39.905 39.341 0.564 1
1 897 . 4 1 1 A 79 79 ASP HA H 140 4.630 4.378 0.252 1
1 900 . 4 1 1 A 79 79 ASP H H 140 8.749 8.422 0.327 1
1 901 . 4 1 1 A 79 79 ASP N N 140 114.843 116.483 -1.640 1
1 902 . 4 1 1 A 80 80 ILE CA C 141 63.732 64.191 -0.459 1
1 903 . 4 1 1 A 80 80 ILE CB C 141 38.239 38.261 -0.022 1
1 907 . 4 1 1 A 80 80 ILE HA H 141 4.070 3.832 0.238 1
1 911 . 4 1 1 A 80 80 ILE H H 141 7.565 7.618 -0.053 1
1 912 . 4 1 1 A 80 80 ILE N N 141 121.986 120.494 1.492 1
1 919 . 4 1 1 A 81 81 ILE CA C 142 66.387 65.366 1.021 1
1 920 . 4 1 1 A 81 81 ILE CB C 142 38.194 37.813 0.381 1
1 924 . 4 1 1 A 81 81 ILE HA H 142 3.531 3.564 -0.033 1
1 928 . 4 1 1 A 81 81 ILE H H 142 8.309 7.689 0.620 1
1 929 . 4 1 1 A 81 81 ILE N N 142 121.735 120.653 1.082 1
1 936 . 4 1 1 A 82 82 ASN CA C 143 56.121 55.686 0.435 1
1 937 . 4 1 1 A 82 82 ASN CB C 143 38.023 37.400 0.623 1
1 938 . 4 1 1 A 82 82 ASN HA H 143 4.369 4.373 -0.004 1
1 941 . 4 1 1 A 82 82 ASN H H 143 8.919 8.349 0.570 1
1 942 . 4 1 1 A 82 82 ASN N N 143 118.128 118.383 -0.255 1
1 946 . 4 1 1 A 83 83 ALA CA C 144 55.230 55.520 -0.290 1
1 947 . 4 1 1 A 83 83 ALA CB C 144 18.378 18.391 -0.013 1
1 948 . 4 1 1 A 83 83 ALA HA H 144 4.310 4.035 0.275 1
1 949 . 4 1 1 A 83 83 ALA H H 144 7.687 8.223 -0.536 1
1 950 . 4 1 1 A 83 83 ALA N N 144 122.048 122.147 -0.099 1
1 954 . 4 1 1 A 84 84 ARG CA C 145 58.842 59.341 -0.499 1
1 955 . 4 1 1 A 84 84 ARG CB C 145 30.415 30.034 0.381 1
1 958 . 4 1 1 A 84 84 ARG HA H 145 4.297 3.886 0.411 1
1 963 . 4 1 1 A 84 84 ARG H H 145 8.579 8.003 0.576 1
1 964 . 4 1 1 A 84 84 ARG N N 145 119.430 117.848 1.582 1
1 966 . 4 1 1 A 85 85 LEU CA C 146 57.861 57.645 0.216 1
1 967 . 4 1 1 A 85 85 LEU CB C 146 41.584 41.606 -0.022 1
1 971 . 4 1 1 A 85 85 LEU HA H 146 4.054 3.938 0.116 1
1 975 . 4 1 1 A 85 85 LEU H H 146 9.083 7.658 1.425 1
1 976 . 4 1 1 A 85 85 LEU N N 146 119.149 120.357 -1.208 1
1 983 . 4 1 1 A 86 86 ARG CA C 147 60.723 59.729 0.994 1
1 984 . 4 1 1 A 86 86 ARG CB C 147 29.549 29.896 -0.347 1
1 987 . 4 1 1 A 86 86 ARG HA H 147 3.774 3.988 -0.214 1
1 992 . 4 1 1 A 86 86 ARG H H 147 7.971 8.116 -0.145 1
1 993 . 4 1 1 A 86 86 ARG N N 147 118.395 118.768 -0.373 1
1 995 . 4 1 1 A 87 87 GLU CA C 148 59.392 59.382 0.010 1
1 996 . 4 1 1 A 87 87 GLU CB C 148 29.740 29.076 0.664 1
1 998 . 4 1 1 A 87 87 GLU HA H 148 4.120 4.049 0.071 1
1 1003 . 4 1 1 A 87 87 GLU H H 148 7.895 8.283 -0.388 1
1 1004 . 4 1 1 A 87 87 GLU N N 148 116.934 118.736 -1.802 1
1 1005 . 4 1 1 A 88 88 GLU CA C 149 58.455 59.180 -0.725 1
1 1006 . 4 1 1 A 88 88 GLU CB C 149 29.306 29.474 -0.168 1
1 1008 . 4 1 1 A 88 88 GLU HA H 149 4.279 3.984 0.295 1
1 1013 . 4 1 1 A 88 88 GLU H H 149 8.228 8.309 -0.081 1
1 1014 . 4 1 1 A 88 88 GLU N N 149 116.458 117.925 -1.467 1
1 1015 . 4 1 1 A 89 89 LEU CA C 150 57.767 58.050 -0.283 1
1 1016 . 4 1 1 A 89 89 LEU CB C 150 42.450 41.346 1.104 1
1 1020 . 4 1 1 A 89 89 LEU HA H 150 4.239 3.929 0.310 1
1 1024 . 4 1 1 A 89 89 LEU H H 150 8.401 8.310 0.091 1
1 1025 . 4 1 1 A 89 89 LEU N N 150 117.854 120.732 -2.878 1
1 1032 . 4 1 1 A 90 90 ASP CA C 151 56.503 56.598 -0.095 1
1 1033 . 4 1 1 A 90 90 ASP CB C 151 42.435 41.396 1.039 1
1 1034 . 4 1 1 A 90 90 ASP HA H 151 5.034 4.501 0.533 1
1 1037 . 4 1 1 A 90 90 ASP H H 151 8.524 8.253 0.271 1
1 1038 . 4 1 1 A 90 90 ASP N N 151 118.978 119.411 -0.433 1
1 1039 . 4 1 1 A 91 91 LYS CA C 152 58.455 57.379 1.076 1
1 1040 . 4 1 1 A 91 91 LYS CB C 152 33.021 32.870 0.151 1
1 1044 . 4 1 1 A 91 91 LYS HA H 152 4.279 4.233 0.046 1
1 1049 . 4 1 1 A 91 91 LYS H H 152 7.348 7.873 -0.525 1
1 1050 . 4 1 1 A 91 91 LYS N N 152 114.172 116.577 -2.405 1
1 1053 . 4 1 1 A 92 92 ILE CA C 153 61.448 62.478 -1.030 1
1 1054 . 4 1 1 A 92 92 ILE CB C 153 39.068 37.521 1.547 1
1 1058 . 4 1 1 A 92 92 ILE HA H 153 4.427 3.683 0.744 1
1 1062 . 4 1 1 A 92 92 ILE H H 153 7.597 7.611 -0.014 1
1 1063 . 4 1 1 A 92 92 ILE N N 153 114.441 121.290 -6.849 1
1 1070 . 4 1 1 A 93 93 THR CA C 154 65.433 63.974 1.459 1
1 1071 . 4 1 1 A 93 93 THR CB C 154 67.799 69.503 -1.704 1
1 1073 . 4 1 1 A 93 93 THR HA H 154 3.879 4.128 -0.249 1
1 1075 . 4 1 1 A 93 93 THR H H 154 8.195 7.387 0.808 1
1 1076 . 4 1 1 A 93 93 THR N N 154 110.253 112.574 -2.321 1
1 1080 . 4 1 1 A 94 94 ASP CA C 155 57.822 56.651 1.171 1
1 1081 . 4 1 1 A 94 94 ASP CB C 155 41.397 41.332 0.065 1
1 1082 . 4 1 1 A 94 94 ASP HA H 155 4.514 4.467 0.047 1
1 1085 . 4 1 1 A 94 94 ASP H H 155 8.474 7.737 0.737 1
1 1086 . 4 1 1 A 94 94 ASP N N 155 124.348 121.631 2.717 1
1 1087 . 4 1 1 A 95 95 ARG CA C 156 57.783 58.027 -0.244 1
1 1088 . 4 1 1 A 95 95 ARG CB C 156 29.386 30.405 -1.019 1
1 1091 . 4 1 1 A 95 95 ARG HA H 156 4.173 4.228 -0.055 1
1 1096 . 4 1 1 A 95 95 ARG H H 156 7.680 8.056 -0.376 1
1 1097 . 4 1 1 A 95 95 ARG N N 156 117.839 116.992 0.847 1
1 1099 . 4 1 1 A 96 96 TRP CB C 157 29.856 29.841 0.015 1
1 1105 . 4 1 1 A 96 96 TRP HA H 157 4.943 4.782 0.161 1
1 1112 . 4 1 1 A 96 96 TRP H H 157 7.880 7.684 0.196 1
1 1115 . 4 1 1 A 96 96 TRP N N 157 117.944 118.940 -0.996 1
1 1117 . 4 1 1 A 97 97 GLY CA C 158 46.688 46.122 0.566 1
1 1118 . 4 1 1 A 97 97 GLY HA2 H 158 4.411 4.010 0.401 1
1 1119 . 4 1 1 A 97 97 GLY HA3 H 158 4.249 4.030 0.219 1
1 1120 . 4 1 1 A 97 97 GLY H H 158 7.972 8.133 -0.161 1
1 1121 . 4 1 1 A 97 97 GLY N N 158 104.253 109.049 -4.796 1
1 1122 . 4 1 1 A 98 98 VAL CA C 159 60.417 60.912 -0.495 1
1 1123 . 4 1 1 A 98 98 VAL CB C 159 36.365 34.673 1.692 1
1 1126 . 4 1 1 A 98 98 VAL HA H 159 5.012 4.671 0.341 1
1 1128 . 4 1 1 A 98 98 VAL H H 159 7.468 8.016 -0.548 1
1 1129 . 4 1 1 A 98 98 VAL N N 159 115.979 121.971 -5.992 1
1 1136 . 4 1 1 A 99 99 LYS CA C 160 53.521 54.460 -0.939 1
1 1137 . 4 1 1 A 99 99 LYS CB C 160 36.083 36.341 -0.258 1
1 1141 . 4 1 1 A 99 99 LYS HA H 160 5.053 5.286 -0.233 1
1 1148 . 4 1 1 A 99 99 LYS H H 160 9.259 8.729 0.530 1
1 1149 . 4 1 1 A 99 99 LYS N N 160 126.977 126.593 0.384 1
1 1151 . 4 1 1 A 100 100 ILE CB C 161 35.185 37.206 -2.021 1
1 1155 . 4 1 1 A 100 100 ILE HA H 161 4.896 4.379 0.517 1
1 1159 . 4 1 1 A 100 100 ILE H H 161 9.310 9.025 0.285 1
1 1160 . 4 1 1 A 100 100 ILE N N 161 127.468 126.824 0.644 1
1 1167 . 4 1 1 A 101 101 THR CA C 162 63.075 65.500 -2.425 1
1 1168 . 4 1 1 A 101 101 THR CB C 162 67.345 68.502 -1.157 1
1 1170 . 4 1 1 A 101 101 THR HA H 162 4.254 4.041 0.213 1
1 1172 . 4 1 1 A 101 101 THR H H 162 8.783 8.547 0.236 1
1 1173 . 4 1 1 A 101 101 THR N N 162 120.609 120.936 -0.327 1
1 1177 . 4 1 1 A 102 102 ARG CA C 163 55.929 54.280 1.649 1
1 1178 . 4 1 1 A 102 102 ARG CB C 163 32.468 33.389 -0.921 1
1 1181 . 4 1 1 A 102 102 ARG HA H 163 4.606 4.704 -0.098 1
1 1188 . 4 1 1 A 102 102 ARG H H 163 7.669 7.632 0.037 1
1 1189 . 4 1 1 A 102 102 ARG N N 163 118.258 118.702 -0.444 1
1 1190 . 4 1 1 A 103 103 VAL CB C 164 35.090 36.056 -0.966 1
1 1193 . 4 1 1 A 103 103 VAL HA H 164 4.886 4.880 0.006 1
1 1195 . 4 1 1 A 103 103 VAL H H 164 8.700 8.574 0.126 1
1 1196 . 4 1 1 A 103 103 VAL N N 164 122.135 113.871 8.264 1
1 1203 . 4 1 1 A 104 104 GLU CA C 165 54.469 54.408 0.061 1
1 1204 . 4 1 1 A 104 104 GLU CB C 165 33.028 33.863 -0.835 1
1 1206 . 4 1 1 A 104 104 GLU HA H 165 4.835 5.100 -0.265 1
1 1209 . 4 1 1 A 104 104 GLU H H 165 9.011 8.734 0.277 1
1 1210 . 4 1 1 A 104 104 GLU N N 165 123.789 121.759 2.030 1
1 1212 . 4 1 1 A 105 105 ILE CA C 166 61.576 59.876 1.700 1
1 1213 . 4 1 1 A 105 105 ILE CB C 166 37.908 40.184 -2.276 1
1 1217 . 4 1 1 A 105 105 ILE HA H 166 4.525 4.780 -0.255 1
1 1219 . 4 1 1 A 105 105 ILE H H 166 9.869 8.984 0.885 1
1 1220 . 4 1 1 A 105 105 ILE N N 166 130.058 124.117 5.941 1
1 1229 . 4 1 1 A 106 106 GLN CA C 167 55.964 54.341 1.623 1
1 1230 . 4 1 1 A 106 106 GLN CB C 167 28.789 30.451 -1.662 1
1 1232 . 4 1 1 A 106 106 GLN HA H 167 4.661 4.632 0.029 1
1 1239 . 4 1 1 A 106 106 GLN H H 167 8.573 8.252 0.321 1
1 1240 . 4 1 1 A 106 106 GLN N N 167 127.576 125.188 2.388 1
1 1242 . 4 1 1 A 107 107 ARG CA C 168 56.113 57.481 -1.368 1
1 1243 . 4 1 1 A 107 107 ARG CB C 168 32.098 30.875 1.223 1
1 1246 . 4 1 1 A 107 107 ARG HA H 168 4.468 4.276 0.192 1
1 1251 . 4 1 1 A 107 107 ARG H H 168 8.762 8.427 0.335 1
1 1252 . 4 1 1 A 107 107 ARG N N 168 122.725 121.550 1.175 1
1 1254 . 4 1 1 A 108 108 ILE CA C 169 61.618 59.705 1.913 1
1 1255 . 4 1 1 A 108 108 ILE CB C 169 39.583 40.740 -1.157 1
1 1259 . 4 1 1 A 108 108 ILE HA H 169 4.451 4.753 -0.302 1
1 1263 . 4 1 1 A 108 108 ILE H H 169 7.996 8.387 -0.391 1
1 1264 . 4 1 1 A 108 108 ILE N N 169 120.383 122.837 -2.454 1
1 1271 . 4 1 1 A 109 109 ASP CA C 170 51.571 50.380 1.191 1
1 1272 . 4 1 1 A 109 109 ASP CB C 170 42.763 41.700 1.063 1
1 1273 . 4 1 1 A 109 109 ASP HA H 170 5.579 5.159 0.420 1
1 1276 . 4 1 1 A 109 109 ASP H H 170 9.067 8.428 0.639 1
1 1277 . 4 1 1 A 109 109 ASP N N 170 126.604 125.178 1.426 1
1 1278 . 4 1 1 A 110 110 PRO CA C 171 61.302 61.496 -0.194 1
1 1279 . 4 1 1 A 110 110 PRO CB C 171 30.857 31.628 -0.771 1
1 1282 . 4 1 1 A 110 110 PRO HA H 171 5.081 4.718 0.363 1
1 1288 . 4 1 1 A 111 111 PRO CA C 172 63.367 62.686 0.681 1
1 1289 . 4 1 1 A 111 111 PRO CB C 172 32.050 32.020 0.030 1
1 1292 . 4 1 1 A 111 111 PRO HA H 172 4.568 4.542 0.026 1
1 1298 . 4 1 1 A 112 112 LYS CA C 173 55.951 56.608 -0.657 1
1 1299 . 4 1 1 A 112 112 LYS CB C 173 33.412 33.450 -0.038 1
1 1303 . 4 1 1 A 112 112 LYS HA H 173 4.465 4.405 0.060 1
1 1306 . 4 1 1 A 112 112 LYS H H 173 8.533 8.392 0.141 1
1 1307 . 4 1 1 A 112 112 LYS N N 173 122.499 121.271 1.228 1
1 1 . 5 1 1 A 2 2 SER HA H 63 4.660 5.261 -0.601 1
1 4 . 5 1 1 A 2 2 SER CB C 63 63.645 66.784 -3.139 1
1 5 . 5 1 1 A 3 3 ASP HA H 64 4.688 4.889 -0.201 1
1 8 . 5 1 1 A 3 3 ASP H H 64 8.603 8.524 0.079 1
1 9 . 5 1 1 A 3 3 ASP CA C 64 54.354 52.559 1.795 1
1 10 . 5 1 1 A 3 3 ASP CB C 64 40.980 41.337 -0.357 1
1 11 . 5 1 1 A 3 3 ASP N N 64 122.069 122.284 -0.215 1
1 12 . 5 1 1 A 4 4 HIS HA H 65 4.735 4.919 -0.184 1
1 17 . 5 1 1 A 4 4 HIS H H 65 8.354 8.491 -0.137 1
1 18 . 5 1 1 A 4 4 HIS CA C 65 56.220 54.721 1.499 1
1 19 . 5 1 1 A 4 4 HIS CB C 65 30.570 31.149 -0.579 1
1 22 . 5 1 1 A 4 4 HIS N N 65 119.219 116.683 2.536 1
1 29 . 5 1 1 A 5 5 VAL HA H 66 4.183 4.556 -0.373 1
1 31 . 5 1 1 A 5 5 VAL H H 66 8.073 8.518 -0.445 1
1 32 . 5 1 1 A 5 5 VAL CA C 66 62.127 59.818 2.309 1
1 33 . 5 1 1 A 5 5 VAL CB C 66 32.960 35.643 -2.683 1
1 36 . 5 1 1 A 5 5 VAL N N 66 121.775 114.996 6.779 1
1 37 . 5 1 1 A 6 6 ASP CA C 67 53.727 54.795 -1.068 1
1 38 . 5 1 1 A 6 6 ASP CB C 67 41.472 43.511 -2.039 1
1 39 . 5 1 1 A 6 6 ASP HA H 67 4.771 4.774 -0.003 1
1 42 . 5 1 1 A 6 6 ASP H H 67 8.615 8.837 -0.222 1
1 43 . 5 1 1 A 6 6 ASP N N 67 124.725 122.414 2.311 1
1 44 . 5 1 1 A 7 7 LEU CA C 68 54.586 56.038 -1.452 1
1 45 . 5 1 1 A 7 7 LEU CB C 68 41.657 39.727 1.930 1
1 49 . 5 1 1 A 7 7 LEU HA H 68 4.556 3.755 0.801 1
1 53 . 5 1 1 A 7 7 LEU H H 68 8.441 7.936 0.505 1
1 54 . 5 1 1 A 7 7 LEU N N 68 123.747 119.126 4.621 1
1 61 . 5 1 1 A 8 8 ARG CA C 69 56.247 56.131 0.116 1
1 62 . 5 1 1 A 8 8 ARG CB C 69 30.828 30.335 0.493 1
1 65 . 5 1 1 A 8 8 ARG HA H 69 4.253 4.288 -0.035 1
1 70 . 5 1 1 A 8 8 ARG H H 69 8.209 7.613 0.596 1
1 71 . 5 1 1 A 8 8 ARG N N 69 121.063 117.524 3.539 1
1 73 . 5 1 1 A 9 9 GLU CA C 70 55.691 55.488 0.203 1
1 74 . 5 1 1 A 9 9 GLU CB C 70 31.777 31.151 0.626 1
1 76 . 5 1 1 A 9 9 GLU HA H 70 4.655 4.422 0.233 1
1 79 . 5 1 1 A 9 9 GLU H H 70 8.338 8.576 -0.238 1
1 80 . 5 1 1 A 9 9 GLU N N 70 121.677 123.143 -1.466 1
1 82 . 5 1 1 A 10 10 HIS CA C 71 54.619 53.976 0.643 1
1 83 . 5 1 1 A 10 10 HIS CB C 71 32.189 31.738 0.451 1
1 86 . 5 1 1 A 10 10 HIS HA H 71 4.716 4.882 -0.166 1
1 91 . 5 1 1 A 10 10 HIS H H 71 9.043 9.035 0.008 1
1 92 . 5 1 1 A 10 10 HIS N N 71 125.575 120.653 4.922 1
1 93 . 5 1 1 A 11 11 VAL CA C 72 60.567 60.172 0.395 1
1 94 . 5 1 1 A 11 11 VAL CB C 72 35.380 33.721 1.659 1
1 97 . 5 1 1 A 11 11 VAL HA H 72 4.951 4.466 0.485 1
1 99 . 5 1 1 A 11 11 VAL H H 72 8.218 8.723 -0.505 1
1 100 . 5 1 1 A 11 11 VAL N N 72 117.348 123.344 -5.996 1
1 107 . 5 1 1 A 12 12 ILE CA C 73 59.857 59.876 -0.019 1
1 108 . 5 1 1 A 12 12 ILE CB C 73 41.969 38.783 3.186 1
1 112 . 5 1 1 A 12 12 ILE HA H 73 4.464 4.887 -0.423 1
1 116 . 5 1 1 A 12 12 ILE H H 73 9.272 9.169 0.103 1
1 117 . 5 1 1 A 12 12 ILE N N 73 126.908 129.567 -2.659 1
1 124 . 5 1 1 A 13 13 ASP CB C 74 41.534 41.899 -0.365 1
1 125 . 5 1 1 A 13 13 ASP HA H 74 4.885 5.056 -0.171 1
1 128 . 5 1 1 A 13 13 ASP H H 74 8.501 8.882 -0.381 1
1 129 . 5 1 1 A 13 13 ASP N N 74 126.253 128.101 -1.848 1
1 130 . 5 1 1 A 14 14 VAL CA C 75 59.550 58.278 1.272 1
1 131 . 5 1 1 A 14 14 VAL CB C 75 32.270 34.986 -2.716 1
1 134 . 5 1 1 A 14 14 VAL HA H 75 4.491 4.795 -0.304 1
1 136 . 5 1 1 A 14 14 VAL H H 75 8.758 8.993 -0.235 1
1 137 . 5 1 1 A 14 14 VAL N N 75 124.997 123.817 1.180 1
1 144 . 5 1 1 A 15 15 PRO CB C 76 30.981 31.664 -0.683 1
1 147 . 5 1 1 A 15 15 PRO HA H 76 4.837 4.707 0.130 1
1 153 . 5 1 1 A 16 16 PRO CB C 77 32.267 32.841 -0.574 1
1 156 . 5 1 1 A 16 16 PRO HA H 77 4.881 4.789 0.092 1
1 162 . 5 1 1 A 17 17 GLN CA C 78 53.332 53.822 -0.490 1
1 163 . 5 1 1 A 17 17 GLN CB C 78 33.352 32.560 0.792 1
1 165 . 5 1 1 A 17 17 GLN HA H 78 4.768 5.005 -0.237 1
1 170 . 5 1 1 A 17 17 GLN H H 78 8.612 8.229 0.383 1
1 171 . 5 1 1 A 17 17 GLN N N 78 119.550 116.556 2.994 1
1 175 . 5 1 1 A 18 18 GLU CA C 79 55.955 55.425 0.530 1
1 176 . 5 1 1 A 18 18 GLU CB C 79 30.087 30.640 -0.553 1
1 178 . 5 1 1 A 18 18 GLU HA H 79 5.070 5.012 0.058 1
1 183 . 5 1 1 A 18 18 GLU H H 79 8.626 8.617 0.009 1
1 184 . 5 1 1 A 18 18 GLU N N 79 123.226 121.701 1.525 1
1 185 . 5 1 1 A 19 19 VAL CA C 80 60.191 59.002 1.189 1
1 186 . 5 1 1 A 19 19 VAL CB C 80 34.901 35.527 -0.626 1
1 189 . 5 1 1 A 19 19 VAL HA H 80 4.562 4.824 -0.262 1
1 191 . 5 1 1 A 19 19 VAL H H 80 9.568 8.571 0.997 1
1 192 . 5 1 1 A 19 19 VAL N N 80 123.365 117.604 5.761 1
1 199 . 5 1 1 A 20 20 ILE CA C 81 60.810 60.844 -0.034 1
1 200 . 5 1 1 A 20 20 ILE CB C 81 39.198 37.570 1.628 1
1 204 . 5 1 1 A 20 20 ILE HA H 81 4.678 4.310 0.368 1
1 208 . 5 1 1 A 20 20 ILE H H 81 8.048 8.704 -0.656 1
1 209 . 5 1 1 A 20 20 ILE N N 81 122.564 124.395 -1.831 1
1 216 . 5 1 1 A 21 21 CYS CB C 82 29.386 28.742 0.644 1
1 217 . 5 1 1 A 21 21 CYS HA H 82 4.932 4.698 0.234 1
1 220 . 5 1 1 A 21 21 CYS H H 82 8.796 8.837 -0.041 1
1 221 . 5 1 1 A 21 21 CYS N N 82 125.960 126.682 -0.722 1
1 222 . 5 1 1 A 22 22 LYS CA C 83 59.330 59.425 -0.095 1
1 223 . 5 1 1 A 22 22 LYS CB C 83 33.478 32.269 1.209 1
1 227 . 5 1 1 A 22 22 LYS HA H 83 4.096 4.032 0.064 1
1 234 . 5 1 1 A 22 22 LYS H H 83 8.735 8.587 0.148 1
1 235 . 5 1 1 A 22 22 LYS N N 83 123.785 124.726 -0.941 1
1 237 . 5 1 1 A 23 23 ASP CA C 84 53.011 53.943 -0.932 1
1 238 . 5 1 1 A 23 23 ASP CB C 84 38.642 40.835 -2.193 1
1 239 . 5 1 1 A 23 23 ASP HA H 84 4.694 4.751 -0.057 1
1 242 . 5 1 1 A 23 23 ASP H H 84 8.667 7.933 0.734 1
1 243 . 5 1 1 A 23 23 ASP N N 84 112.676 116.475 -3.799 1
1 244 . 5 1 1 A 24 24 ASN CA C 85 54.989 54.041 0.948 1
1 245 . 5 1 1 A 24 24 ASN CB C 85 36.698 37.130 -0.432 1
1 246 . 5 1 1 A 24 24 ASN HA H 85 4.321 4.393 -0.072 1
1 251 . 5 1 1 A 24 24 ASN H H 85 8.264 7.689 0.575 1
1 252 . 5 1 1 A 24 24 ASN N N 85 112.321 116.264 -3.943 1
1 254 . 5 1 1 A 25 25 VAL CA C 86 61.920 61.169 0.751 1
1 255 . 5 1 1 A 25 25 VAL CB C 86 33.581 32.761 0.820 1
1 258 . 5 1 1 A 25 25 VAL HA H 86 4.247 4.363 -0.116 1
1 260 . 5 1 1 A 25 25 VAL H H 86 6.817 7.646 -0.829 1
1 261 . 5 1 1 A 25 25 VAL N N 86 117.663 118.677 -1.014 1
1 268 . 5 1 1 A 26 26 VAL CA C 87 62.127 62.264 -0.137 1
1 269 . 5 1 1 A 26 26 VAL CB C 87 32.468 31.923 0.545 1
1 272 . 5 1 1 A 26 26 VAL HA H 87 4.710 4.396 0.314 1
1 274 . 5 1 1 A 26 26 VAL H H 87 8.467 8.714 -0.247 1
1 275 . 5 1 1 A 26 26 VAL N N 87 128.149 129.387 -1.238 1
1 282 . 5 1 1 A 27 27 VAL CA C 88 58.409 59.115 -0.706 1
1 283 . 5 1 1 A 27 27 VAL CB C 88 34.991 35.953 -0.962 1
1 286 . 5 1 1 A 27 27 VAL HA H 88 4.995 5.002 -0.007 1
1 288 . 5 1 1 A 27 27 VAL H H 88 8.983 8.397 0.586 1
1 289 . 5 1 1 A 27 27 VAL N N 88 119.421 122.429 -3.008 1
1 296 . 5 1 1 A 28 28 THR CA C 89 62.180 62.176 0.004 1
1 297 . 5 1 1 A 28 28 THR CB C 89 69.351 69.816 -0.465 1
1 299 . 5 1 1 A 28 28 THR HA H 89 5.249 5.083 0.166 1
1 301 . 5 1 1 A 28 28 THR H H 89 8.544 8.746 -0.202 1
1 302 . 5 1 1 A 28 28 THR N N 89 118.810 118.832 -0.022 1
1 306 . 5 1 1 A 29 29 VAL CA C 90 58.826 59.679 -0.853 1
1 307 . 5 1 1 A 29 29 VAL CB C 90 36.035 35.380 0.655 1
1 310 . 5 1 1 A 29 29 VAL HA H 90 5.527 5.036 0.491 1
1 312 . 5 1 1 A 29 29 VAL H H 90 8.818 8.773 0.045 1
1 313 . 5 1 1 A 29 29 VAL N N 90 123.670 127.393 -3.723 1
1 320 . 5 1 1 A 30 30 ASP CA C 91 52.821 52.691 0.130 1
1 321 . 5 1 1 A 30 30 ASP CB C 91 42.960 44.609 -1.649 1
1 322 . 5 1 1 A 30 30 ASP HA H 91 4.785 5.497 -0.712 1
1 325 . 5 1 1 A 30 30 ASP H H 91 8.478 8.956 -0.478 1
1 326 . 5 1 1 A 30 30 ASP N N 91 125.411 126.405 -0.994 1
1 327 . 5 1 1 A 31 31 ALA CA C 92 51.718 51.173 0.545 1
1 328 . 5 1 1 A 31 31 ALA CB C 92 22.216 23.557 -1.341 1
1 329 . 5 1 1 A 31 31 ALA HA H 92 5.268 4.955 0.313 1
1 330 . 5 1 1 A 31 31 ALA H H 92 8.075 8.431 -0.356 1
1 331 . 5 1 1 A 31 31 ALA N N 92 116.806 121.674 -4.868 1
1 335 . 5 1 1 A 32 32 VAL CB C 93 34.772 34.250 0.522 1
1 338 . 5 1 1 A 32 32 VAL HA H 93 4.901 5.047 -0.146 1
1 340 . 5 1 1 A 32 32 VAL H H 93 8.306 8.569 -0.263 1
1 341 . 5 1 1 A 32 32 VAL N N 93 117.482 114.851 2.631 1
1 348 . 5 1 1 A 33 33 VAL CA C 94 61.058 61.156 -0.098 1
1 349 . 5 1 1 A 33 33 VAL CB C 94 34.773 35.183 -0.410 1
1 352 . 5 1 1 A 33 33 VAL HA H 94 4.515 4.765 -0.250 1
1 354 . 5 1 1 A 33 33 VAL H H 94 8.873 8.646 0.227 1
1 355 . 5 1 1 A 33 33 VAL N N 94 124.653 121.804 2.849 1
1 362 . 5 1 1 A 34 34 TYR CA C 95 56.333 57.988 -1.655 1
1 363 . 5 1 1 A 34 34 TYR CB C 95 40.336 40.494 -0.158 1
1 366 . 5 1 1 A 34 34 TYR HA H 95 5.834 5.564 0.270 1
1 371 . 5 1 1 A 34 34 TYR H H 95 8.989 8.961 0.028 1
1 372 . 5 1 1 A 34 34 TYR N N 95 126.081 127.222 -1.141 1
1 375 . 5 1 1 A 35 35 TYR CA C 96 55.679 56.614 -0.935 1
1 376 . 5 1 1 A 35 35 TYR CB C 96 42.824 41.192 1.632 1
1 379 . 5 1 1 A 35 35 TYR HA H 96 6.097 5.562 0.535 1
1 384 . 5 1 1 A 35 35 TYR H H 96 9.102 8.394 0.708 1
1 385 . 5 1 1 A 35 35 TYR N N 96 117.188 118.859 -1.671 1
1 388 . 5 1 1 A 36 36 GLN CB C 97 33.643 32.395 1.248 1
1 390 . 5 1 1 A 36 36 GLN HA H 97 4.942 5.129 -0.187 1
1 395 . 5 1 1 A 36 36 GLN H H 97 9.441 8.423 1.018 1
1 396 . 5 1 1 A 36 36 GLN N N 97 118.000 119.629 -1.629 1
1 399 . 5 1 1 A 37 37 VAL CA C 98 63.621 63.300 0.321 1
1 400 . 5 1 1 A 37 37 VAL CB C 98 31.380 30.524 0.856 1
1 403 . 5 1 1 A 37 37 VAL HA H 98 4.286 4.074 0.212 1
1 405 . 5 1 1 A 37 37 VAL H H 98 9.692 8.975 0.717 1
1 406 . 5 1 1 A 37 37 VAL N N 98 126.436 123.385 3.051 1
1 413 . 5 1 1 A 38 38 ILE CA C 99 61.011 63.342 -2.331 1
1 414 . 5 1 1 A 38 38 ILE CB C 99 38.943 38.142 0.801 1
1 418 . 5 1 1 A 38 38 ILE HA H 99 4.514 3.993 0.521 1
1 422 . 5 1 1 A 38 38 ILE H H 99 8.540 8.078 0.462 1
1 423 . 5 1 1 A 38 38 ILE N N 99 123.480 124.746 -1.266 1
1 430 . 5 1 1 A 39 39 ASP CA C 100 50.850 50.802 0.048 1
1 431 . 5 1 1 A 39 39 ASP CB C 100 41.979 41.825 0.154 1
1 432 . 5 1 1 A 39 39 ASP HA H 100 5.326 5.001 0.325 1
1 435 . 5 1 1 A 39 39 ASP H H 100 8.135 7.550 0.585 1
1 436 . 5 1 1 A 39 39 ASP N N 100 119.056 122.507 -3.451 1
1 437 . 5 1 1 A 40 40 PRO CA C 101 64.279 63.980 0.299 1
1 438 . 5 1 1 A 40 40 PRO CB C 101 32.510 31.721 0.789 1
1 441 . 5 1 1 A 40 40 PRO HA H 101 4.299 4.395 -0.096 1
1 448 . 5 1 1 A 41 41 VAL CA C 102 65.120 64.985 0.135 1
1 449 . 5 1 1 A 41 41 VAL CB C 102 31.406 31.870 -0.464 1
1 452 . 5 1 1 A 41 41 VAL HA H 102 3.886 3.846 0.040 1
1 454 . 5 1 1 A 41 41 VAL H H 102 7.936 7.547 0.389 1
1 455 . 5 1 1 A 41 41 VAL N N 102 118.168 116.546 1.622 1
1 462 . 5 1 1 A 42 42 LYS CA C 103 57.852 57.742 0.110 1
1 463 . 5 1 1 A 42 42 LYS CB C 103 33.597 33.114 0.483 1
1 467 . 5 1 1 A 42 42 LYS HA H 103 4.242 4.306 -0.064 1
1 472 . 5 1 1 A 42 42 LYS H H 103 7.240 8.025 -0.785 1
1 473 . 5 1 1 A 42 42 LYS N N 103 118.280 119.449 -1.169 1
1 476 . 5 1 1 A 43 43 ALA CA C 104 53.615 51.745 1.870 1
1 477 . 5 1 1 A 43 43 ALA CB C 104 18.578 19.146 -0.568 1
1 478 . 5 1 1 A 43 43 ALA HA H 104 4.632 4.580 0.052 1
1 479 . 5 1 1 A 43 43 ALA H H 104 7.702 7.456 0.246 1
1 480 . 5 1 1 A 43 43 ALA N N 104 122.122 121.328 0.794 1
1 484 . 5 1 1 A 44 44 VAL CA C 105 62.530 61.815 0.715 1
1 485 . 5 1 1 A 44 44 VAL CB C 105 31.680 30.718 0.962 1
1 488 . 5 1 1 A 44 44 VAL HA H 105 4.197 4.230 -0.033 1
1 490 . 5 1 1 A 44 44 VAL H H 105 7.682 7.568 0.114 1
1 491 . 5 1 1 A 44 44 VAL N N 105 115.037 118.752 -3.715 1
1 498 . 5 1 1 A 45 45 TYR CA C 106 57.222 56.913 0.309 1
1 499 . 5 1 1 A 45 45 TYR CB C 106 38.651 37.642 1.009 1
1 502 . 5 1 1 A 45 45 TYR HA H 106 4.652 4.807 -0.155 1
1 505 . 5 1 1 A 45 45 TYR H H 106 7.436 7.597 -0.161 1
1 506 . 5 1 1 A 45 45 TYR N N 106 118.804 120.981 -2.177 1
1 510 . 5 1 1 A 46 46 ASN CB C 107 39.028 36.788 2.240 1
1 511 . 5 1 1 A 46 46 ASN HA H 107 4.959 4.247 0.712 1
1 516 . 5 1 1 A 46 46 ASN H H 107 8.614 8.090 0.524 1
1 517 . 5 1 1 A 46 46 ASN N N 107 118.495 113.709 4.786 1
1 519 . 5 1 1 A 47 47 VAL CA C 108 65.178 63.000 2.178 1
1 520 . 5 1 1 A 47 47 VAL CB C 108 32.022 29.923 2.099 1
1 523 . 5 1 1 A 47 47 VAL HA H 108 3.952 3.577 0.375 1
1 525 . 5 1 1 A 47 47 VAL H H 108 8.342 7.770 0.572 1
1 526 . 5 1 1 A 47 47 VAL N N 108 123.377 118.117 5.260 1
1 533 . 5 1 1 A 48 48 SER CA C 109 61.473 61.054 0.419 1
1 534 . 5 1 1 A 48 48 SER CB C 109 62.248 63.581 -1.333 1
1 535 . 5 1 1 A 48 48 SER HA H 109 4.298 4.436 -0.138 1
1 536 . 5 1 1 A 48 48 SER H H 109 8.353 7.923 0.430 1
1 537 . 5 1 1 A 48 48 SER N N 109 116.439 117.527 -1.088 1
1 539 . 5 1 1 A 49 49 ASP CA C 110 56.211 56.956 -0.745 1
1 540 . 5 1 1 A 49 49 ASP CB C 110 40.691 40.920 -0.229 1
1 541 . 5 1 1 A 49 49 ASP HA H 110 4.534 4.158 0.376 1
1 542 . 5 1 1 A 49 49 ASP H H 110 7.832 8.423 -0.591 1
1 543 . 5 1 1 A 49 49 ASP N N 110 121.141 121.392 -0.251 1
1 545 . 5 1 1 A 50 50 PHE CA C 111 60.009 61.362 -1.353 1
1 546 . 5 1 1 A 50 50 PHE CB C 111 38.598 39.198 -0.600 1
1 550 . 5 1 1 A 50 50 PHE HA H 111 3.486 4.062 -0.576 1
1 555 . 5 1 1 A 50 50 PHE H H 111 8.044 8.114 -0.070 1
1 557 . 5 1 1 A 50 50 PHE N N 111 122.621 119.843 2.778 1
1 560 . 5 1 1 A 51 51 LEU CA C 112 58.009 58.149 -0.140 1
1 561 . 5 1 1 A 51 51 LEU CB C 112 41.213 41.859 -0.646 1
1 565 . 5 1 1 A 51 51 LEU HA H 112 3.546 3.531 0.015 1
1 569 . 5 1 1 A 51 51 LEU H H 112 8.046 8.227 -0.181 1
1 570 . 5 1 1 A 51 51 LEU N N 112 119.691 120.314 -0.623 1
1 577 . 5 1 1 A 52 52 MET CA C 113 57.696 58.203 -0.507 1
1 578 . 5 1 1 A 52 52 MET CB C 113 32.289 32.124 0.165 1
1 581 . 5 1 1 A 52 52 MET HA H 113 4.231 4.139 0.092 1
1 586 . 5 1 1 A 52 52 MET H H 113 7.563 8.266 -0.703 1
1 587 . 5 1 1 A 52 52 MET N N 113 115.770 117.267 -1.497 1
1 591 . 5 1 1 A 53 53 ALA CA C 114 54.815 55.141 -0.326 1
1 592 . 5 1 1 A 53 53 ALA CB C 114 18.369 18.720 -0.351 1
1 593 . 5 1 1 A 53 53 ALA HA H 114 4.199 4.052 0.147 1
1 594 . 5 1 1 A 53 53 ALA H H 114 7.878 7.883 -0.005 1
1 595 . 5 1 1 A 53 53 ALA N N 114 121.804 122.440 -0.636 1
1 599 . 5 1 1 A 54 54 ILE CA C 115 63.259 64.913 -1.654 1
1 600 . 5 1 1 A 54 54 ILE CB C 115 36.127 37.459 -1.332 1
1 604 . 5 1 1 A 54 54 ILE HA H 115 3.767 3.632 0.135 1
1 608 . 5 1 1 A 54 54 ILE H H 115 8.202 8.317 -0.115 1
1 609 . 5 1 1 A 54 54 ILE N N 115 118.054 117.831 0.223 1
1 616 . 5 1 1 A 55 55 VAL CA C 116 68.036 67.168 0.868 1
1 617 . 5 1 1 A 55 55 VAL CB C 116 31.463 31.620 -0.157 1
1 620 . 5 1 1 A 55 55 VAL HA H 116 3.509 3.533 -0.024 1
1 622 . 5 1 1 A 55 55 VAL H H 116 7.961 7.566 0.395 1
1 623 . 5 1 1 A 55 55 VAL N N 116 121.095 119.873 1.222 1
1 630 . 5 1 1 A 56 56 LYS CA C 117 59.077 59.265 -0.188 1
1 631 . 5 1 1 A 56 56 LYS CB C 117 31.997 32.413 -0.416 1
1 635 . 5 1 1 A 56 56 LYS HA H 117 4.297 4.017 0.280 1
1 638 . 5 1 1 A 56 56 LYS H H 117 8.000 7.639 0.361 1
1 639 . 5 1 1 A 56 56 LYS N N 117 118.806 118.630 0.176 1
1 643 . 5 1 1 A 57 57 LEU CA C 118 57.515 58.149 -0.634 1
1 644 . 5 1 1 A 57 57 LEU CB C 118 42.727 41.537 1.190 1
1 648 . 5 1 1 A 57 57 LEU HA H 118 4.286 3.911 0.375 1
1 652 . 5 1 1 A 57 57 LEU H H 118 8.390 8.632 -0.242 1
1 653 . 5 1 1 A 57 57 LEU N N 118 120.738 120.734 0.004 1
1 660 . 5 1 1 A 58 58 ALA CA C 119 55.695 55.519 0.176 1
1 661 . 5 1 1 A 58 58 ALA CB C 119 17.984 18.662 -0.678 1
1 662 . 5 1 1 A 58 58 ALA HA H 119 4.131 4.061 0.070 1
1 663 . 5 1 1 A 58 58 ALA H H 119 9.213 8.638 0.575 1
1 664 . 5 1 1 A 58 58 ALA N N 119 123.641 120.484 3.157 1
1 668 . 5 1 1 A 59 59 GLN CA C 120 60.234 59.242 0.992 1
1 669 . 5 1 1 A 59 59 GLN CB C 120 28.353 28.363 -0.010 1
1 671 . 5 1 1 A 59 59 GLN HA H 120 3.972 3.935 0.037 1
1 678 . 5 1 1 A 59 59 GLN H H 120 8.649 7.715 0.934 1
1 679 . 5 1 1 A 59 59 GLN N N 120 116.453 117.170 -0.717 1
1 681 . 5 1 1 A 60 60 THR CA C 121 66.360 67.485 -1.125 1
1 682 . 5 1 1 A 60 60 THR CB C 121 68.868 68.352 0.516 1
1 684 . 5 1 1 A 60 60 THR HA H 121 4.076 3.936 0.140 1
1 686 . 5 1 1 A 60 60 THR H H 121 8.566 8.085 0.481 1
1 687 . 5 1 1 A 60 60 THR N N 121 115.479 117.188 -1.709 1
1 691 . 5 1 1 A 61 61 ASN CA C 122 57.397 55.971 1.426 1
1 692 . 5 1 1 A 61 61 ASN CB C 122 39.535 38.368 1.167 1
1 693 . 5 1 1 A 61 61 ASN HA H 122 4.626 4.428 0.198 1
1 698 . 5 1 1 A 61 61 ASN H H 122 8.433 8.369 0.064 1
1 699 . 5 1 1 A 61 61 ASN N N 122 120.652 118.994 1.658 1
1 701 . 5 1 1 A 62 62 LEU CA C 123 58.804 58.248 0.556 1
1 702 . 5 1 1 A 62 62 LEU CB C 123 42.331 41.715 0.616 1
1 706 . 5 1 1 A 62 62 LEU HA H 123 4.068 4.039 0.029 1
1 710 . 5 1 1 A 62 62 LEU H H 123 8.837 8.478 0.359 1
1 711 . 5 1 1 A 62 62 LEU N N 123 121.425 117.245 4.180 1
1 718 . 5 1 1 A 63 63 ARG CA C 124 59.647 59.523 0.124 1
1 719 . 5 1 1 A 63 63 ARG CB C 124 30.112 29.928 0.184 1
1 722 . 5 1 1 A 63 63 ARG HA H 124 4.030 3.996 0.034 1
1 727 . 5 1 1 A 63 63 ARG H H 124 7.502 8.113 -0.611 1
1 728 . 5 1 1 A 63 63 ARG N N 124 116.156 119.275 -3.119 1
1 730 . 5 1 1 A 64 64 ALA CA C 125 54.793 55.092 -0.299 1
1 731 . 5 1 1 A 64 64 ALA CB C 125 18.471 18.516 -0.045 1
1 732 . 5 1 1 A 64 64 ALA HA H 125 4.260 4.074 0.186 1
1 733 . 5 1 1 A 64 64 ALA H H 125 7.637 8.309 -0.672 1
1 734 . 5 1 1 A 64 64 ALA N N 125 121.808 121.430 0.378 1
1 738 . 5 1 1 A 65 65 ILE CA C 126 64.917 64.517 0.400 1
1 739 . 5 1 1 A 65 65 ILE CB C 126 39.599 37.680 1.919 1
1 743 . 5 1 1 A 65 65 ILE HA H 126 3.745 3.834 -0.089 1
1 747 . 5 1 1 A 65 65 ILE H H 126 8.476 7.138 1.338 1
1 748 . 5 1 1 A 65 65 ILE N N 126 117.948 118.431 -0.483 1
1 755 . 5 1 1 A 66 66 ILE CA C 127 64.704 64.813 -0.109 1
1 756 . 5 1 1 A 66 66 ILE CB C 127 37.188 37.678 -0.490 1
1 760 . 5 1 1 A 66 66 ILE HA H 127 3.826 3.739 0.087 1
1 764 . 5 1 1 A 66 66 ILE H H 127 8.130 8.555 -0.425 1
1 765 . 5 1 1 A 66 66 ILE N N 127 118.919 119.515 -0.596 1
1 772 . 5 1 1 A 67 67 GLY CA C 128 46.401 46.880 -0.479 1
1 773 . 5 1 1 A 67 67 GLY HA2 H 128 4.437 3.983 0.454 1
1 774 . 5 1 1 A 67 67 GLY HA3 H 128 3.925 3.983 -0.058 1
1 775 . 5 1 1 A 67 67 GLY H H 128 7.683 7.918 -0.235 1
1 776 . 5 1 1 A 67 67 GLY N N 128 104.485 109.070 -4.585 1
1 777 . 5 1 1 A 68 68 GLU CA C 129 55.446 55.317 0.129 1
1 778 . 5 1 1 A 68 68 GLU CB C 129 30.672 31.275 -0.603 1
1 780 . 5 1 1 A 68 68 GLU HA H 129 4.589 4.853 -0.264 1
1 785 . 5 1 1 A 68 68 GLU H H 129 7.111 7.966 -0.855 1
1 786 . 5 1 1 A 68 68 GLU N N 129 115.084 116.597 -1.513 1
1 787 . 5 1 1 A 69 69 MET CA C 130 55.238 54.790 0.448 1
1 788 . 5 1 1 A 69 69 MET CB C 130 36.559 36.456 0.103 1
1 791 . 5 1 1 A 69 69 MET HA H 130 4.763 4.824 -0.061 1
1 796 . 5 1 1 A 69 69 MET H H 130 8.414 8.582 -0.168 1
1 797 . 5 1 1 A 69 69 MET N N 130 121.732 121.630 0.102 1
1 801 . 5 1 1 A 70 70 GLU CA C 131 56.474 54.575 1.899 1
1 802 . 5 1 1 A 70 70 GLU CB C 131 30.686 32.396 -1.710 1
1 804 . 5 1 1 A 70 70 GLU HA H 131 4.354 4.807 -0.453 1
1 809 . 5 1 1 A 70 70 GLU H H 131 9.395 8.604 0.791 1
1 810 . 5 1 1 A 70 70 GLU N N 131 122.754 119.523 3.231 1
1 811 . 5 1 1 A 71 71 LEU CA C 132 59.955 58.177 1.778 1
1 812 . 5 1 1 A 71 71 LEU CB C 132 40.900 42.135 -1.235 1
1 816 . 5 1 1 A 71 71 LEU HA H 132 4.454 3.979 0.475 1
1 820 . 5 1 1 A 71 71 LEU H H 132 10.320 8.815 1.505 1
1 821 . 5 1 1 A 71 71 LEU N N 132 127.791 128.241 -0.450 1
1 828 . 5 1 1 A 72 72 ASP CA C 133 57.961 57.001 0.960 1
1 829 . 5 1 1 A 72 72 ASP CB C 133 40.031 41.272 -1.241 1
1 830 . 5 1 1 A 72 72 ASP HA H 133 4.452 4.611 -0.159 1
1 831 . 5 1 1 A 72 72 ASP H H 133 9.283 8.240 1.043 1
1 832 . 5 1 1 A 72 72 ASP N N 133 117.573 117.776 -0.203 1
1 834 . 5 1 1 A 73 73 GLU CA C 134 58.070 59.344 -1.274 1
1 835 . 5 1 1 A 73 73 GLU CB C 134 30.329 29.684 0.645 1
1 837 . 5 1 1 A 73 73 GLU HA H 134 4.166 4.010 0.156 1
1 842 . 5 1 1 A 73 73 GLU H H 134 7.307 8.053 -0.746 1
1 843 . 5 1 1 A 73 73 GLU N N 134 118.947 120.184 -1.237 1
1 844 . 5 1 1 A 74 74 THR CA C 135 67.017 65.584 1.433 1
1 845 . 5 1 1 A 74 74 THR CB C 135 68.224 68.396 -0.172 1
1 847 . 5 1 1 A 74 74 THR HA H 135 3.966 4.165 -0.199 1
1 849 . 5 1 1 A 74 74 THR H H 135 8.334 8.580 -0.246 1
1 850 . 5 1 1 A 74 74 THR N N 135 116.702 114.299 2.403 1
1 854 . 5 1 1 A 75 75 LEU CA C 136 57.604 57.934 -0.330 1
1 855 . 5 1 1 A 75 75 LEU CB C 136 41.375 41.573 -0.198 1
1 859 . 5 1 1 A 75 75 LEU HA H 136 4.164 3.992 0.172 1
1 863 . 5 1 1 A 75 75 LEU H H 136 8.159 8.059 0.100 1
1 864 . 5 1 1 A 75 75 LEU N N 136 118.009 120.091 -2.082 1
1 871 . 5 1 1 A 76 76 SER CA C 137 58.446 61.296 -2.850 1
1 872 . 5 1 1 A 76 76 SER CB C 137 63.709 63.339 0.370 1
1 873 . 5 1 1 A 76 76 SER HA H 137 4.808 4.145 0.663 1
1 876 . 5 1 1 A 76 76 SER H H 137 7.713 8.158 -0.445 1
1 877 . 5 1 1 A 76 76 SER N N 137 111.428 114.662 -3.234 1
1 878 . 5 1 1 A 77 77 GLY CA C 138 46.311 47.238 -0.927 1
1 879 . 5 1 1 A 77 77 GLY HA2 H 138 4.815 3.879 0.936 1
1 880 . 5 1 1 A 77 77 GLY HA3 H 138 3.860 3.880 -0.020 1
1 881 . 5 1 1 A 77 77 GLY H H 138 7.779 8.665 -0.886 1
1 882 . 5 1 1 A 77 77 GLY N N 138 112.185 108.553 3.632 1
1 883 . 5 1 1 A 78 78 ARG CA C 139 61.186 57.890 3.296 1
1 884 . 5 1 1 A 78 78 ARG CB C 139 29.871 30.484 -0.613 1
1 887 . 5 1 1 A 78 78 ARG HA H 139 3.853 4.265 -0.412 1
1 892 . 5 1 1 A 78 78 ARG H H 139 8.311 8.657 -0.346 1
1 893 . 5 1 1 A 78 78 ARG N N 139 121.172 124.330 -3.158 1
1 895 . 5 1 1 A 79 79 ASP CA C 140 57.533 57.030 0.503 1
1 896 . 5 1 1 A 79 79 ASP CB C 140 39.905 40.968 -1.063 1
1 897 . 5 1 1 A 79 79 ASP HA H 140 4.630 4.469 0.161 1
1 900 . 5 1 1 A 79 79 ASP H H 140 8.749 7.958 0.791 1
1 901 . 5 1 1 A 79 79 ASP N N 140 114.843 118.941 -4.098 1
1 902 . 5 1 1 A 80 80 ILE CA C 141 63.732 65.081 -1.349 1
1 903 . 5 1 1 A 80 80 ILE CB C 141 38.239 37.898 0.341 1
1 907 . 5 1 1 A 80 80 ILE HA H 141 4.070 3.657 0.413 1
1 911 . 5 1 1 A 80 80 ILE H H 141 7.565 7.752 -0.187 1
1 912 . 5 1 1 A 80 80 ILE N N 141 121.986 120.261 1.725 1
1 919 . 5 1 1 A 81 81 ILE CA C 142 66.387 65.686 0.701 1
1 920 . 5 1 1 A 81 81 ILE CB C 142 38.194 37.893 0.301 1
1 924 . 5 1 1 A 81 81 ILE HA H 142 3.531 3.483 0.048 1
1 928 . 5 1 1 A 81 81 ILE H H 142 8.309 8.301 0.008 1
1 929 . 5 1 1 A 81 81 ILE N N 142 121.735 120.823 0.912 1
1 936 . 5 1 1 A 82 82 ASN CA C 143 56.121 56.581 -0.460 1
1 937 . 5 1 1 A 82 82 ASN CB C 143 38.023 37.950 0.073 1
1 938 . 5 1 1 A 82 82 ASN HA H 143 4.369 4.390 -0.021 1
1 941 . 5 1 1 A 82 82 ASN H H 143 8.919 8.124 0.795 1
1 942 . 5 1 1 A 82 82 ASN N N 143 118.128 118.140 -0.012 1
1 946 . 5 1 1 A 83 83 ALA CA C 144 55.230 55.483 -0.253 1
1 947 . 5 1 1 A 83 83 ALA CB C 144 18.378 18.348 0.030 1
1 948 . 5 1 1 A 83 83 ALA HA H 144 4.310 4.078 0.232 1
1 949 . 5 1 1 A 83 83 ALA H H 144 7.687 7.837 -0.150 1
1 950 . 5 1 1 A 83 83 ALA N N 144 122.048 122.658 -0.610 1
1 954 . 5 1 1 A 84 84 ARG CA C 145 58.842 59.192 -0.350 1
1 955 . 5 1 1 A 84 84 ARG CB C 145 30.415 30.072 0.343 1
1 958 . 5 1 1 A 84 84 ARG HA H 145 4.297 3.927 0.370 1
1 963 . 5 1 1 A 84 84 ARG H H 145 8.579 7.971 0.608 1
1 964 . 5 1 1 A 84 84 ARG N N 145 119.430 117.875 1.555 1
1 966 . 5 1 1 A 85 85 LEU CA C 146 57.861 57.571 0.290 1
1 967 . 5 1 1 A 85 85 LEU CB C 146 41.584 41.926 -0.342 1
1 971 . 5 1 1 A 85 85 LEU HA H 146 4.054 4.101 -0.047 1
1 975 . 5 1 1 A 85 85 LEU H H 146 9.083 7.932 1.151 1
1 976 . 5 1 1 A 85 85 LEU N N 146 119.149 121.305 -2.156 1
1 983 . 5 1 1 A 86 86 ARG CA C 147 60.723 59.785 0.938 1
1 984 . 5 1 1 A 86 86 ARG CB C 147 29.549 29.610 -0.061 1
1 987 . 5 1 1 A 86 86 ARG HA H 147 3.774 3.921 -0.147 1
1 992 . 5 1 1 A 86 86 ARG H H 147 7.971 8.071 -0.100 1
1 993 . 5 1 1 A 86 86 ARG N N 147 118.395 119.182 -0.787 1
1 995 . 5 1 1 A 87 87 GLU CA C 148 59.392 58.143 1.249 1
1 996 . 5 1 1 A 87 87 GLU CB C 148 29.740 28.052 1.688 1
1 998 . 5 1 1 A 87 87 GLU HA H 148 4.120 4.151 -0.031 1
1 1003 . 5 1 1 A 87 87 GLU H H 148 7.895 8.512 -0.617 1
1 1004 . 5 1 1 A 87 87 GLU N N 148 116.934 116.757 0.177 1
1 1005 . 5 1 1 A 88 88 GLU CA C 149 58.455 58.657 -0.202 1
1 1006 . 5 1 1 A 88 88 GLU CB C 149 29.306 30.331 -1.025 1
1 1008 . 5 1 1 A 88 88 GLU HA H 149 4.279 4.272 0.007 1
1 1013 . 5 1 1 A 88 88 GLU H H 149 8.228 8.006 0.222 1
1 1014 . 5 1 1 A 88 88 GLU N N 149 116.458 118.962 -2.504 1
1 1015 . 5 1 1 A 89 89 LEU CA C 150 57.767 55.084 2.683 1
1 1016 . 5 1 1 A 89 89 LEU CB C 150 42.450 42.325 0.125 1
1 1020 . 5 1 1 A 89 89 LEU HA H 150 4.239 4.325 -0.086 1
1 1024 . 5 1 1 A 89 89 LEU H H 150 8.401 7.878 0.523 1
1 1025 . 5 1 1 A 89 89 LEU N N 150 117.854 119.246 -1.392 1
1 1032 . 5 1 1 A 90 90 ASP CA C 151 56.503 56.529 -0.026 1
1 1033 . 5 1 1 A 90 90 ASP CB C 151 42.435 40.745 1.690 1
1 1034 . 5 1 1 A 90 90 ASP HA H 151 5.034 4.513 0.521 1
1 1037 . 5 1 1 A 90 90 ASP H H 151 8.524 7.891 0.633 1
1 1038 . 5 1 1 A 90 90 ASP N N 151 118.978 119.645 -0.667 1
1 1039 . 5 1 1 A 91 91 LYS CA C 152 58.455 58.785 -0.330 1
1 1040 . 5 1 1 A 91 91 LYS CB C 152 33.021 32.558 0.463 1
1 1044 . 5 1 1 A 91 91 LYS HA H 152 4.279 4.063 0.216 1
1 1049 . 5 1 1 A 91 91 LYS H H 152 7.348 8.038 -0.690 1
1 1050 . 5 1 1 A 91 91 LYS N N 152 114.172 117.439 -3.267 1
1 1053 . 5 1 1 A 92 92 ILE CA C 153 61.448 62.618 -1.170 1
1 1054 . 5 1 1 A 92 92 ILE CB C 153 39.068 37.629 1.439 1
1 1058 . 5 1 1 A 92 92 ILE HA H 153 4.427 3.745 0.682 1
1 1062 . 5 1 1 A 92 92 ILE H H 153 7.597 7.976 -0.379 1
1 1063 . 5 1 1 A 92 92 ILE N N 153 114.441 120.440 -5.999 1
1 1070 . 5 1 1 A 93 93 THR CA C 154 65.433 63.913 1.520 1
1 1071 . 5 1 1 A 93 93 THR CB C 154 67.799 69.339 -1.540 1
1 1073 . 5 1 1 A 93 93 THR HA H 154 3.879 3.855 0.024 1
1 1075 . 5 1 1 A 93 93 THR H H 154 8.195 7.254 0.941 1
1 1076 . 5 1 1 A 93 93 THR N N 154 110.253 112.452 -2.199 1
1 1080 . 5 1 1 A 94 94 ASP CA C 155 57.822 57.682 0.140 1
1 1081 . 5 1 1 A 94 94 ASP CB C 155 41.397 41.483 -0.086 1
1 1082 . 5 1 1 A 94 94 ASP HA H 155 4.514 4.348 0.166 1
1 1085 . 5 1 1 A 94 94 ASP H H 155 8.474 7.802 0.672 1
1 1086 . 5 1 1 A 94 94 ASP N N 155 124.348 121.747 2.601 1
1 1087 . 5 1 1 A 95 95 ARG CA C 156 57.783 58.782 -0.999 1
1 1088 . 5 1 1 A 95 95 ARG CB C 156 29.386 30.214 -0.828 1
1 1091 . 5 1 1 A 95 95 ARG HA H 156 4.173 4.098 0.075 1
1 1096 . 5 1 1 A 95 95 ARG H H 156 7.680 8.375 -0.695 1
1 1097 . 5 1 1 A 95 95 ARG N N 156 117.839 116.872 0.967 1
1 1099 . 5 1 1 A 96 96 TRP CB C 157 29.856 29.876 -0.020 1
1 1105 . 5 1 1 A 96 96 TRP HA H 157 4.943 4.778 0.165 1
1 1112 . 5 1 1 A 96 96 TRP H H 157 7.880 7.524 0.356 1
1 1115 . 5 1 1 A 96 96 TRP N N 157 117.944 119.326 -1.382 1
1 1117 . 5 1 1 A 97 97 GLY CA C 158 46.688 46.820 -0.132 1
1 1118 . 5 1 1 A 97 97 GLY HA2 H 158 4.411 4.027 0.384 1
1 1119 . 5 1 1 A 97 97 GLY HA3 H 158 4.249 4.052 0.197 1
1 1120 . 5 1 1 A 97 97 GLY H H 158 7.972 7.826 0.146 1
1 1121 . 5 1 1 A 97 97 GLY N N 158 104.253 109.847 -5.594 1
1 1122 . 5 1 1 A 98 98 VAL CA C 159 60.417 60.775 -0.358 1
1 1123 . 5 1 1 A 98 98 VAL CB C 159 36.365 35.423 0.942 1
1 1126 . 5 1 1 A 98 98 VAL HA H 159 5.012 4.702 0.310 1
1 1128 . 5 1 1 A 98 98 VAL H H 159 7.468 7.625 -0.157 1
1 1129 . 5 1 1 A 98 98 VAL N N 159 115.979 119.682 -3.703 1
1 1136 . 5 1 1 A 99 99 LYS CA C 160 53.521 54.475 -0.954 1
1 1137 . 5 1 1 A 99 99 LYS CB C 160 36.083 36.199 -0.116 1
1 1141 . 5 1 1 A 99 99 LYS HA H 160 5.053 5.076 -0.023 1
1 1148 . 5 1 1 A 99 99 LYS H H 160 9.259 9.064 0.195 1
1 1149 . 5 1 1 A 99 99 LYS N N 160 126.977 127.572 -0.595 1
1 1151 . 5 1 1 A 100 100 ILE CB C 161 35.185 36.746 -1.561 1
1 1155 . 5 1 1 A 100 100 ILE HA H 161 4.896 4.467 0.429 1
1 1159 . 5 1 1 A 100 100 ILE H H 161 9.310 9.004 0.306 1
1 1160 . 5 1 1 A 100 100 ILE N N 161 127.468 127.654 -0.186 1
1 1167 . 5 1 1 A 101 101 THR CA C 162 63.075 65.454 -2.379 1
1 1168 . 5 1 1 A 101 101 THR CB C 162 67.345 68.771 -1.426 1
1 1170 . 5 1 1 A 101 101 THR HA H 162 4.254 4.099 0.155 1
1 1172 . 5 1 1 A 101 101 THR H H 162 8.783 8.172 0.611 1
1 1173 . 5 1 1 A 101 101 THR N N 162 120.609 119.472 1.137 1
1 1177 . 5 1 1 A 102 102 ARG CA C 163 55.929 54.917 1.012 1
1 1178 . 5 1 1 A 102 102 ARG CB C 163 32.468 32.074 0.394 1
1 1181 . 5 1 1 A 102 102 ARG HA H 163 4.606 4.644 -0.038 1
1 1188 . 5 1 1 A 102 102 ARG H H 163 7.669 7.645 0.024 1
1 1189 . 5 1 1 A 102 102 ARG N N 163 118.258 118.130 0.128 1
1 1190 . 5 1 1 A 103 103 VAL CB C 164 35.090 35.756 -0.666 1
1 1193 . 5 1 1 A 103 103 VAL HA H 164 4.886 4.775 0.111 1
1 1195 . 5 1 1 A 103 103 VAL H H 164 8.700 8.349 0.351 1
1 1196 . 5 1 1 A 103 103 VAL N N 164 122.135 119.268 2.867 1
1 1203 . 5 1 1 A 104 104 GLU CA C 165 54.469 54.457 0.012 1
1 1204 . 5 1 1 A 104 104 GLU CB C 165 33.028 33.172 -0.144 1
1 1206 . 5 1 1 A 104 104 GLU HA H 165 4.835 4.992 -0.157 1
1 1209 . 5 1 1 A 104 104 GLU H H 165 9.011 8.829 0.182 1
1 1210 . 5 1 1 A 104 104 GLU N N 165 123.789 125.556 -1.767 1
1 1212 . 5 1 1 A 105 105 ILE CA C 166 61.576 59.739 1.837 1
1 1213 . 5 1 1 A 105 105 ILE CB C 166 37.908 40.273 -2.365 1
1 1217 . 5 1 1 A 105 105 ILE HA H 166 4.525 4.796 -0.271 1
1 1219 . 5 1 1 A 105 105 ILE H H 166 9.869 8.742 1.127 1
1 1220 . 5 1 1 A 105 105 ILE N N 166 130.058 123.174 6.884 1
1 1229 . 5 1 1 A 106 106 GLN CA C 167 55.964 54.099 1.865 1
1 1230 . 5 1 1 A 106 106 GLN CB C 167 28.789 31.093 -2.304 1
1 1232 . 5 1 1 A 106 106 GLN HA H 167 4.661 4.713 -0.052 1
1 1239 . 5 1 1 A 106 106 GLN H H 167 8.573 8.607 -0.034 1
1 1240 . 5 1 1 A 106 106 GLN N N 167 127.576 125.148 2.428 1
1 1242 . 5 1 1 A 107 107 ARG CA C 168 56.113 56.839 -0.726 1
1 1243 . 5 1 1 A 107 107 ARG CB C 168 32.098 30.848 1.250 1
1 1246 . 5 1 1 A 107 107 ARG HA H 168 4.468 4.301 0.167 1
1 1251 . 5 1 1 A 107 107 ARG H H 168 8.762 8.274 0.488 1
1 1252 . 5 1 1 A 107 107 ARG N N 168 122.725 121.969 0.756 1
1 1254 . 5 1 1 A 108 108 ILE CA C 169 61.618 59.514 2.104 1
1 1255 . 5 1 1 A 108 108 ILE CB C 169 39.583 41.242 -1.659 1
1 1259 . 5 1 1 A 108 108 ILE HA H 169 4.451 4.927 -0.476 1
1 1263 . 5 1 1 A 108 108 ILE H H 169 7.996 8.446 -0.450 1
1 1264 . 5 1 1 A 108 108 ILE N N 169 120.383 125.238 -4.855 1
1 1271 . 5 1 1 A 109 109 ASP CA C 170 51.571 49.906 1.665 1
1 1272 . 5 1 1 A 109 109 ASP CB C 170 42.763 42.547 0.216 1
1 1273 . 5 1 1 A 109 109 ASP HA H 170 5.579 5.089 0.490 1
1 1276 . 5 1 1 A 109 109 ASP H H 170 9.067 8.539 0.528 1
1 1277 . 5 1 1 A 109 109 ASP N N 170 126.604 123.863 2.741 1
1 1278 . 5 1 1 A 110 110 PRO CA C 171 61.302 61.517 -0.215 1
1 1279 . 5 1 1 A 110 110 PRO CB C 171 30.857 31.689 -0.832 1
1 1282 . 5 1 1 A 110 110 PRO HA H 171 5.081 4.740 0.341 1
1 1288 . 5 1 1 A 111 111 PRO CA C 172 63.367 62.724 0.643 1
1 1289 . 5 1 1 A 111 111 PRO CB C 172 32.050 32.143 -0.093 1
1 1292 . 5 1 1 A 111 111 PRO HA H 172 4.568 4.544 0.024 1
1 1298 . 5 1 1 A 112 112 LYS CA C 173 55.951 55.957 -0.006 1
1 1299 . 5 1 1 A 112 112 LYS CB C 173 33.412 33.238 0.174 1
1 1303 . 5 1 1 A 112 112 LYS HA H 173 4.465 4.287 0.178 1
1 1306 . 5 1 1 A 112 112 LYS H H 173 8.533 8.268 0.265 1
1 1307 . 5 1 1 A 112 112 LYS N N 173 122.499 118.800 3.699 1
1 1 . 6 1 1 A 2 2 SER HA H 63 4.660 4.129 0.531 1
1 4 . 6 1 1 A 2 2 SER CB C 63 63.645 63.402 0.243 1
1 5 . 6 1 1 A 3 3 ASP HA H 64 4.688 4.289 0.399 1
1 8 . 6 1 1 A 3 3 ASP H H 64 8.603 8.051 0.552 1
1 9 . 6 1 1 A 3 3 ASP CA C 64 54.354 55.631 -1.277 1
1 10 . 6 1 1 A 3 3 ASP CB C 64 40.980 38.921 2.059 1
1 11 . 6 1 1 A 3 3 ASP N N 64 122.069 119.297 2.772 1
1 12 . 6 1 1 A 4 4 HIS HA H 65 4.735 5.483 -0.748 1
1 17 . 6 1 1 A 4 4 HIS H H 65 8.354 7.955 0.399 1
1 18 . 6 1 1 A 4 4 HIS CA C 65 56.220 53.789 2.431 1
1 19 . 6 1 1 A 4 4 HIS CB C 65 30.570 32.214 -1.644 1
1 22 . 6 1 1 A 4 4 HIS N N 65 119.219 113.167 6.052 1
1 29 . 6 1 1 A 5 5 VAL HA H 66 4.183 4.384 -0.201 1
1 31 . 6 1 1 A 5 5 VAL H H 66 8.073 8.745 -0.672 1
1 32 . 6 1 1 A 5 5 VAL CA C 66 62.127 59.731 2.396 1
1 33 . 6 1 1 A 5 5 VAL CB C 66 32.960 35.332 -2.372 1
1 36 . 6 1 1 A 5 5 VAL N N 66 121.775 120.292 1.483 1
1 37 . 6 1 1 A 6 6 ASP CA C 67 53.727 52.759 0.968 1
1 38 . 6 1 1 A 6 6 ASP CB C 67 41.472 40.910 0.562 1
1 39 . 6 1 1 A 6 6 ASP HA H 67 4.771 4.813 -0.042 1
1 42 . 6 1 1 A 6 6 ASP H H 67 8.615 8.735 -0.120 1
1 43 . 6 1 1 A 6 6 ASP N N 67 124.725 126.005 -1.280 1
1 44 . 6 1 1 A 7 7 LEU CA C 68 54.586 56.139 -1.553 1
1 45 . 6 1 1 A 7 7 LEU CB C 68 41.657 40.108 1.549 1
1 49 . 6 1 1 A 7 7 LEU HA H 68 4.556 3.782 0.774 1
1 53 . 6 1 1 A 7 7 LEU H H 68 8.441 7.809 0.632 1
1 54 . 6 1 1 A 7 7 LEU N N 68 123.747 115.654 8.093 1
1 61 . 6 1 1 A 8 8 ARG CA C 69 56.247 55.727 0.520 1
1 62 . 6 1 1 A 8 8 ARG CB C 69 30.828 30.972 -0.144 1
1 65 . 6 1 1 A 8 8 ARG HA H 69 4.253 4.143 0.110 1
1 70 . 6 1 1 A 8 8 ARG H H 69 8.209 7.888 0.321 1
1 71 . 6 1 1 A 8 8 ARG N N 69 121.063 118.999 2.064 1
1 73 . 6 1 1 A 9 9 GLU CA C 70 55.691 54.921 0.770 1
1 74 . 6 1 1 A 9 9 GLU CB C 70 31.777 31.700 0.077 1
1 76 . 6 1 1 A 9 9 GLU HA H 70 4.655 4.740 -0.085 1
1 79 . 6 1 1 A 9 9 GLU H H 70 8.338 8.386 -0.048 1
1 80 . 6 1 1 A 9 9 GLU N N 70 121.677 123.971 -2.294 1
1 82 . 6 1 1 A 10 10 HIS CA C 71 54.619 54.222 0.397 1
1 83 . 6 1 1 A 10 10 HIS CB C 71 32.189 32.788 -0.599 1
1 86 . 6 1 1 A 10 10 HIS HA H 71 4.716 4.781 -0.065 1
1 91 . 6 1 1 A 10 10 HIS H H 71 9.043 8.612 0.431 1
1 92 . 6 1 1 A 10 10 HIS N N 71 125.575 118.438 7.137 1
1 93 . 6 1 1 A 11 11 VAL CA C 72 60.567 60.194 0.373 1
1 94 . 6 1 1 A 11 11 VAL CB C 72 35.380 33.987 1.393 1
1 97 . 6 1 1 A 11 11 VAL HA H 72 4.951 4.646 0.305 1
1 99 . 6 1 1 A 11 11 VAL H H 72 8.218 8.773 -0.555 1
1 100 . 6 1 1 A 11 11 VAL N N 72 117.348 122.009 -4.661 1
1 107 . 6 1 1 A 12 12 ILE CA C 73 59.857 60.343 -0.486 1
1 108 . 6 1 1 A 12 12 ILE CB C 73 41.969 40.198 1.771 1
1 112 . 6 1 1 A 12 12 ILE HA H 73 4.464 4.956 -0.492 1
1 116 . 6 1 1 A 12 12 ILE H H 73 9.272 9.086 0.186 1
1 117 . 6 1 1 A 12 12 ILE N N 73 126.908 128.665 -1.757 1
1 124 . 6 1 1 A 13 13 ASP CB C 74 41.534 41.645 -0.111 1
1 125 . 6 1 1 A 13 13 ASP HA H 74 4.885 5.029 -0.144 1
1 128 . 6 1 1 A 13 13 ASP H H 74 8.501 8.956 -0.455 1
1 129 . 6 1 1 A 13 13 ASP N N 74 126.253 128.373 -2.120 1
1 130 . 6 1 1 A 14 14 VAL CA C 75 59.550 58.725 0.825 1
1 131 . 6 1 1 A 14 14 VAL CB C 75 32.270 33.946 -1.676 1
1 134 . 6 1 1 A 14 14 VAL HA H 75 4.491 4.898 -0.407 1
1 136 . 6 1 1 A 14 14 VAL H H 75 8.758 9.034 -0.276 1
1 137 . 6 1 1 A 14 14 VAL N N 75 124.997 124.810 0.187 1
1 144 . 6 1 1 A 15 15 PRO CB C 76 30.981 31.764 -0.783 1
1 147 . 6 1 1 A 15 15 PRO HA H 76 4.837 4.673 0.164 1
1 153 . 6 1 1 A 16 16 PRO CB C 77 32.267 33.192 -0.925 1
1 156 . 6 1 1 A 16 16 PRO HA H 77 4.881 4.825 0.056 1
1 162 . 6 1 1 A 17 17 GLN CA C 78 53.332 55.189 -1.857 1
1 163 . 6 1 1 A 17 17 GLN CB C 78 33.352 31.935 1.417 1
1 165 . 6 1 1 A 17 17 GLN HA H 78 4.768 4.561 0.207 1
1 170 . 6 1 1 A 17 17 GLN H H 78 8.612 8.360 0.252 1
1 171 . 6 1 1 A 17 17 GLN N N 78 119.550 121.596 -2.046 1
1 175 . 6 1 1 A 18 18 GLU CA C 79 55.955 56.431 -0.476 1
1 176 . 6 1 1 A 18 18 GLU CB C 79 30.087 30.088 -0.001 1
1 178 . 6 1 1 A 18 18 GLU HA H 79 5.070 4.661 0.409 1
1 183 . 6 1 1 A 18 18 GLU H H 79 8.626 8.774 -0.148 1
1 184 . 6 1 1 A 18 18 GLU N N 79 123.226 126.772 -3.546 1
1 185 . 6 1 1 A 19 19 VAL CA C 80 60.191 60.705 -0.514 1
1 186 . 6 1 1 A 19 19 VAL CB C 80 34.901 35.504 -0.603 1
1 189 . 6 1 1 A 19 19 VAL HA H 80 4.562 4.617 -0.055 1
1 191 . 6 1 1 A 19 19 VAL H H 80 9.568 8.071 1.497 1
1 192 . 6 1 1 A 19 19 VAL N N 80 123.365 124.640 -1.275 1
1 199 . 6 1 1 A 20 20 ILE CA C 81 60.810 62.265 -1.455 1
1 200 . 6 1 1 A 20 20 ILE CB C 81 39.198 37.227 1.971 1
1 204 . 6 1 1 A 20 20 ILE HA H 81 4.678 4.011 0.667 1
1 208 . 6 1 1 A 20 20 ILE H H 81 8.048 8.702 -0.654 1
1 209 . 6 1 1 A 20 20 ILE N N 81 122.564 128.014 -5.450 1
1 216 . 6 1 1 A 21 21 CYS CB C 82 29.386 28.624 0.762 1
1 217 . 6 1 1 A 21 21 CYS HA H 82 4.932 4.554 0.378 1
1 220 . 6 1 1 A 21 21 CYS H H 82 8.796 8.915 -0.119 1
1 221 . 6 1 1 A 21 21 CYS N N 82 125.960 127.658 -1.698 1
1 222 . 6 1 1 A 22 22 LYS CA C 83 59.330 59.929 -0.599 1
1 223 . 6 1 1 A 22 22 LYS CB C 83 33.478 32.149 1.329 1
1 227 . 6 1 1 A 22 22 LYS HA H 83 4.096 3.979 0.117 1
1 234 . 6 1 1 A 22 22 LYS H H 83 8.735 9.041 -0.306 1
1 235 . 6 1 1 A 22 22 LYS N N 83 123.785 125.821 -2.036 1
1 237 . 6 1 1 A 23 23 ASP CA C 84 53.011 53.054 -0.043 1
1 238 . 6 1 1 A 23 23 ASP CB C 84 38.642 40.669 -2.027 1
1 239 . 6 1 1 A 23 23 ASP HA H 84 4.694 4.737 -0.043 1
1 242 . 6 1 1 A 23 23 ASP H H 84 8.667 7.699 0.968 1
1 243 . 6 1 1 A 23 23 ASP N N 84 112.676 117.923 -5.247 1
1 244 . 6 1 1 A 24 24 ASN CA C 85 54.989 54.483 0.506 1
1 245 . 6 1 1 A 24 24 ASN CB C 85 36.698 36.704 -0.006 1
1 246 . 6 1 1 A 24 24 ASN HA H 85 4.321 4.254 0.067 1
1 251 . 6 1 1 A 24 24 ASN H H 85 8.264 7.660 0.604 1
1 252 . 6 1 1 A 24 24 ASN N N 85 112.321 113.696 -1.375 1
1 254 . 6 1 1 A 25 25 VAL CA C 86 61.920 61.348 0.572 1
1 255 . 6 1 1 A 25 25 VAL CB C 86 33.581 32.454 1.127 1
1 258 . 6 1 1 A 25 25 VAL HA H 86 4.247 4.360 -0.113 1
1 260 . 6 1 1 A 25 25 VAL H H 86 6.817 7.663 -0.846 1
1 261 . 6 1 1 A 25 25 VAL N N 86 117.663 119.105 -1.442 1
1 268 . 6 1 1 A 26 26 VAL CA C 87 62.127 62.047 0.080 1
1 269 . 6 1 1 A 26 26 VAL CB C 87 32.468 32.169 0.299 1
1 272 . 6 1 1 A 26 26 VAL HA H 87 4.710 4.438 0.272 1
1 274 . 6 1 1 A 26 26 VAL H H 87 8.467 8.718 -0.251 1
1 275 . 6 1 1 A 26 26 VAL N N 87 128.149 129.346 -1.197 1
1 282 . 6 1 1 A 27 27 VAL CA C 88 58.409 58.932 -0.523 1
1 283 . 6 1 1 A 27 27 VAL CB C 88 34.991 35.670 -0.679 1
1 286 . 6 1 1 A 27 27 VAL HA H 88 4.995 5.057 -0.062 1
1 288 . 6 1 1 A 27 27 VAL H H 88 8.983 8.829 0.154 1
1 289 . 6 1 1 A 27 27 VAL N N 88 119.421 122.705 -3.284 1
1 296 . 6 1 1 A 28 28 THR CA C 89 62.180 62.180 0.000 1
1 297 . 6 1 1 A 28 28 THR CB C 89 69.351 69.915 -0.564 1
1 299 . 6 1 1 A 28 28 THR HA H 89 5.249 4.894 0.355 1
1 301 . 6 1 1 A 28 28 THR H H 89 8.544 8.709 -0.165 1
1 302 . 6 1 1 A 28 28 THR N N 89 118.810 118.866 -0.056 1
1 306 . 6 1 1 A 29 29 VAL CA C 90 58.826 59.636 -0.810 1
1 307 . 6 1 1 A 29 29 VAL CB C 90 36.035 35.361 0.674 1
1 310 . 6 1 1 A 29 29 VAL HA H 90 5.527 5.033 0.494 1
1 312 . 6 1 1 A 29 29 VAL H H 90 8.818 8.997 -0.179 1
1 313 . 6 1 1 A 29 29 VAL N N 90 123.670 127.617 -3.947 1
1 320 . 6 1 1 A 30 30 ASP CA C 91 52.821 53.246 -0.425 1
1 321 . 6 1 1 A 30 30 ASP CB C 91 42.960 44.205 -1.245 1
1 322 . 6 1 1 A 30 30 ASP HA H 91 4.785 5.433 -0.648 1
1 325 . 6 1 1 A 30 30 ASP H H 91 8.478 8.841 -0.363 1
1 326 . 6 1 1 A 30 30 ASP N N 91 125.411 126.567 -1.156 1
1 327 . 6 1 1 A 31 31 ALA CA C 92 51.718 50.521 1.197 1
1 328 . 6 1 1 A 31 31 ALA CB C 92 22.216 23.580 -1.364 1
1 329 . 6 1 1 A 31 31 ALA HA H 92 5.268 5.085 0.183 1
1 330 . 6 1 1 A 31 31 ALA H H 92 8.075 8.557 -0.482 1
1 331 . 6 1 1 A 31 31 ALA N N 92 116.806 122.440 -5.634 1
1 335 . 6 1 1 A 32 32 VAL CB C 93 34.772 33.658 1.114 1
1 338 . 6 1 1 A 32 32 VAL HA H 93 4.901 4.874 0.027 1
1 340 . 6 1 1 A 32 32 VAL H H 93 8.306 8.681 -0.375 1
1 341 . 6 1 1 A 32 32 VAL N N 93 117.482 115.306 2.176 1
1 348 . 6 1 1 A 33 33 VAL CA C 94 61.058 61.076 -0.018 1
1 349 . 6 1 1 A 33 33 VAL CB C 94 34.773 35.175 -0.402 1
1 352 . 6 1 1 A 33 33 VAL HA H 94 4.515 4.815 -0.300 1
1 354 . 6 1 1 A 33 33 VAL H H 94 8.873 8.454 0.419 1
1 355 . 6 1 1 A 33 33 VAL N N 94 124.653 122.142 2.511 1
1 362 . 6 1 1 A 34 34 TYR CA C 95 56.333 57.920 -1.587 1
1 363 . 6 1 1 A 34 34 TYR CB C 95 40.336 40.608 -0.272 1
1 366 . 6 1 1 A 34 34 TYR HA H 95 5.834 5.484 0.350 1
1 371 . 6 1 1 A 34 34 TYR H H 95 8.989 8.723 0.266 1
1 372 . 6 1 1 A 34 34 TYR N N 95 126.081 127.333 -1.252 1
1 375 . 6 1 1 A 35 35 TYR CA C 96 55.679 56.592 -0.913 1
1 376 . 6 1 1 A 35 35 TYR CB C 96 42.824 41.220 1.604 1
1 379 . 6 1 1 A 35 35 TYR HA H 96 6.097 5.545 0.552 1
1 384 . 6 1 1 A 35 35 TYR H H 96 9.102 8.291 0.811 1
1 385 . 6 1 1 A 35 35 TYR N N 96 117.188 118.829 -1.641 1
1 388 . 6 1 1 A 36 36 GLN CB C 97 33.643 32.260 1.383 1
1 390 . 6 1 1 A 36 36 GLN HA H 97 4.942 4.834 0.108 1
1 395 . 6 1 1 A 36 36 GLN H H 97 9.441 8.453 0.988 1
1 396 . 6 1 1 A 36 36 GLN N N 97 118.000 119.342 -1.342 1
1 399 . 6 1 1 A 37 37 VAL CA C 98 63.621 63.339 0.282 1
1 400 . 6 1 1 A 37 37 VAL CB C 98 31.380 30.522 0.858 1
1 403 . 6 1 1 A 37 37 VAL HA H 98 4.286 4.051 0.235 1
1 405 . 6 1 1 A 37 37 VAL H H 98 9.692 8.881 0.811 1
1 406 . 6 1 1 A 37 37 VAL N N 98 126.436 123.516 2.920 1
1 413 . 6 1 1 A 38 38 ILE CA C 99 61.011 62.837 -1.826 1
1 414 . 6 1 1 A 38 38 ILE CB C 99 38.943 38.123 0.820 1
1 418 . 6 1 1 A 38 38 ILE HA H 99 4.514 4.053 0.461 1
1 422 . 6 1 1 A 38 38 ILE H H 99 8.540 8.118 0.422 1
1 423 . 6 1 1 A 38 38 ILE N N 99 123.480 124.237 -0.757 1
1 430 . 6 1 1 A 39 39 ASP CA C 100 50.850 51.397 -0.547 1
1 431 . 6 1 1 A 39 39 ASP CB C 100 41.979 41.758 0.221 1
1 432 . 6 1 1 A 39 39 ASP HA H 100 5.326 4.914 0.412 1
1 435 . 6 1 1 A 39 39 ASP H H 100 8.135 7.364 0.771 1
1 436 . 6 1 1 A 39 39 ASP N N 100 119.056 121.419 -2.363 1
1 437 . 6 1 1 A 40 40 PRO CA C 101 64.279 64.135 0.144 1
1 438 . 6 1 1 A 40 40 PRO CB C 101 32.510 31.790 0.720 1
1 441 . 6 1 1 A 40 40 PRO HA H 101 4.299 4.340 -0.041 1
1 448 . 6 1 1 A 41 41 VAL CA C 102 65.120 65.222 -0.102 1
1 449 . 6 1 1 A 41 41 VAL CB C 102 31.406 31.466 -0.060 1
1 452 . 6 1 1 A 41 41 VAL HA H 102 3.886 3.835 0.051 1
1 454 . 6 1 1 A 41 41 VAL H H 102 7.936 7.082 0.854 1
1 455 . 6 1 1 A 41 41 VAL N N 102 118.168 116.301 1.867 1
1 462 . 6 1 1 A 42 42 LYS CA C 103 57.852 56.143 1.709 1
1 463 . 6 1 1 A 42 42 LYS CB C 103 33.597 33.484 0.113 1
1 467 . 6 1 1 A 42 42 LYS HA H 103 4.242 4.473 -0.231 1
1 472 . 6 1 1 A 42 42 LYS H H 103 7.240 7.490 -0.250 1
1 473 . 6 1 1 A 42 42 LYS N N 103 118.280 119.566 -1.286 1
1 476 . 6 1 1 A 43 43 ALA CA C 104 53.615 50.839 2.776 1
1 477 . 6 1 1 A 43 43 ALA CB C 104 18.578 19.100 -0.522 1
1 478 . 6 1 1 A 43 43 ALA HA H 104 4.632 4.490 0.142 1
1 479 . 6 1 1 A 43 43 ALA H H 104 7.702 7.338 0.364 1
1 480 . 6 1 1 A 43 43 ALA N N 104 122.122 122.013 0.109 1
1 484 . 6 1 1 A 44 44 VAL CA C 105 62.530 62.949 -0.419 1
1 485 . 6 1 1 A 44 44 VAL CB C 105 31.680 31.736 -0.056 1
1 488 . 6 1 1 A 44 44 VAL HA H 105 4.197 4.049 0.148 1
1 490 . 6 1 1 A 44 44 VAL H H 105 7.682 7.861 -0.179 1
1 491 . 6 1 1 A 44 44 VAL N N 105 115.037 116.955 -1.918 1
1 498 . 6 1 1 A 45 45 TYR CA C 106 57.222 57.788 -0.566 1
1 499 . 6 1 1 A 45 45 TYR CB C 106 38.651 37.992 0.659 1
1 502 . 6 1 1 A 45 45 TYR HA H 106 4.652 4.530 0.122 1
1 505 . 6 1 1 A 45 45 TYR H H 106 7.436 7.465 -0.029 1
1 506 . 6 1 1 A 45 45 TYR N N 106 118.804 121.591 -2.787 1
1 510 . 6 1 1 A 46 46 ASN CB C 107 39.028 36.939 2.089 1
1 511 . 6 1 1 A 46 46 ASN HA H 107 4.959 4.367 0.592 1
1 516 . 6 1 1 A 46 46 ASN H H 107 8.614 8.073 0.541 1
1 517 . 6 1 1 A 46 46 ASN N N 107 118.495 113.522 4.973 1
1 519 . 6 1 1 A 47 47 VAL CA C 108 65.178 63.265 1.913 1
1 520 . 6 1 1 A 47 47 VAL CB C 108 32.022 30.006 2.016 1
1 523 . 6 1 1 A 47 47 VAL HA H 108 3.952 3.463 0.489 1
1 525 . 6 1 1 A 47 47 VAL H H 108 8.342 7.767 0.575 1
1 526 . 6 1 1 A 47 47 VAL N N 108 123.377 110.426 12.951 1
1 533 . 6 1 1 A 48 48 SER CA C 109 61.473 60.359 1.114 1
1 534 . 6 1 1 A 48 48 SER CB C 109 62.248 63.844 -1.596 1
1 535 . 6 1 1 A 48 48 SER HA H 109 4.298 4.575 -0.277 1
1 536 . 6 1 1 A 48 48 SER H H 109 8.353 7.999 0.354 1
1 537 . 6 1 1 A 48 48 SER N N 109 116.439 114.757 1.682 1
1 539 . 6 1 1 A 49 49 ASP CA C 110 56.211 57.237 -1.026 1
1 540 . 6 1 1 A 49 49 ASP CB C 110 40.691 40.045 0.646 1
1 541 . 6 1 1 A 49 49 ASP HA H 110 4.534 4.184 0.350 1
1 542 . 6 1 1 A 49 49 ASP H H 110 7.832 8.328 -0.496 1
1 543 . 6 1 1 A 49 49 ASP N N 110 121.141 122.268 -1.127 1
1 545 . 6 1 1 A 50 50 PHE CA C 111 60.009 60.984 -0.975 1
1 546 . 6 1 1 A 50 50 PHE CB C 111 38.598 39.547 -0.949 1
1 550 . 6 1 1 A 50 50 PHE HA H 111 3.486 4.169 -0.683 1
1 555 . 6 1 1 A 50 50 PHE H H 111 8.044 8.256 -0.212 1
1 557 . 6 1 1 A 50 50 PHE N N 111 122.621 122.607 0.014 1
1 560 . 6 1 1 A 51 51 LEU CA C 112 58.009 58.102 -0.093 1
1 561 . 6 1 1 A 51 51 LEU CB C 112 41.213 41.956 -0.743 1
1 565 . 6 1 1 A 51 51 LEU HA H 112 3.546 3.594 -0.048 1
1 569 . 6 1 1 A 51 51 LEU H H 112 8.046 8.477 -0.431 1
1 570 . 6 1 1 A 51 51 LEU N N 112 119.691 120.222 -0.531 1
1 577 . 6 1 1 A 52 52 MET CA C 113 57.696 58.031 -0.335 1
1 578 . 6 1 1 A 52 52 MET CB C 113 32.289 32.378 -0.089 1
1 581 . 6 1 1 A 52 52 MET HA H 113 4.231 4.149 0.082 1
1 586 . 6 1 1 A 52 52 MET H H 113 7.563 8.116 -0.553 1
1 587 . 6 1 1 A 52 52 MET N N 113 115.770 116.728 -0.958 1
1 591 . 6 1 1 A 53 53 ALA CA C 114 54.815 54.831 -0.016 1
1 592 . 6 1 1 A 53 53 ALA CB C 114 18.369 18.605 -0.236 1
1 593 . 6 1 1 A 53 53 ALA HA H 114 4.199 4.089 0.110 1
1 594 . 6 1 1 A 53 53 ALA H H 114 7.878 7.984 -0.106 1
1 595 . 6 1 1 A 53 53 ALA N N 114 121.804 122.331 -0.527 1
1 599 . 6 1 1 A 54 54 ILE CA C 115 63.259 64.966 -1.707 1
1 600 . 6 1 1 A 54 54 ILE CB C 115 36.127 37.575 -1.448 1
1 604 . 6 1 1 A 54 54 ILE HA H 115 3.767 3.592 0.175 1
1 608 . 6 1 1 A 54 54 ILE H H 115 8.202 8.235 -0.033 1
1 609 . 6 1 1 A 54 54 ILE N N 115 118.054 118.146 -0.092 1
1 616 . 6 1 1 A 55 55 VAL CA C 116 68.036 65.274 2.762 1
1 617 . 6 1 1 A 55 55 VAL CB C 116 31.463 31.365 0.098 1
1 620 . 6 1 1 A 55 55 VAL HA H 116 3.509 3.843 -0.334 1
1 622 . 6 1 1 A 55 55 VAL H H 116 7.961 7.396 0.565 1
1 623 . 6 1 1 A 55 55 VAL N N 116 121.095 116.589 4.506 1
1 630 . 6 1 1 A 56 56 LYS CA C 117 59.077 58.975 0.102 1
1 631 . 6 1 1 A 56 56 LYS CB C 117 31.997 32.148 -0.151 1
1 635 . 6 1 1 A 56 56 LYS HA H 117 4.297 4.111 0.186 1
1 638 . 6 1 1 A 56 56 LYS H H 117 8.000 7.858 0.142 1
1 639 . 6 1 1 A 56 56 LYS N N 117 118.806 121.556 -2.750 1
1 643 . 6 1 1 A 57 57 LEU CA C 118 57.515 57.728 -0.213 1
1 644 . 6 1 1 A 57 57 LEU CB C 118 42.727 41.523 1.204 1
1 648 . 6 1 1 A 57 57 LEU HA H 118 4.286 4.122 0.164 1
1 652 . 6 1 1 A 57 57 LEU H H 118 8.390 8.142 0.248 1
1 653 . 6 1 1 A 57 57 LEU N N 118 120.738 119.901 0.837 1
1 660 . 6 1 1 A 58 58 ALA CA C 119 55.695 55.859 -0.164 1
1 661 . 6 1 1 A 58 58 ALA CB C 119 17.984 18.204 -0.220 1
1 662 . 6 1 1 A 58 58 ALA HA H 119 4.131 4.076 0.055 1
1 663 . 6 1 1 A 58 58 ALA H H 119 9.213 8.435 0.778 1
1 664 . 6 1 1 A 58 58 ALA N N 119 123.641 121.640 2.001 1
1 668 . 6 1 1 A 59 59 GLN CA C 120 60.234 58.837 1.397 1
1 669 . 6 1 1 A 59 59 GLN CB C 120 28.353 28.296 0.057 1
1 671 . 6 1 1 A 59 59 GLN HA H 120 3.972 4.058 -0.086 1
1 678 . 6 1 1 A 59 59 GLN H H 120 8.649 7.585 1.064 1
1 679 . 6 1 1 A 59 59 GLN N N 120 116.453 117.537 -1.084 1
1 681 . 6 1 1 A 60 60 THR CA C 121 66.360 65.339 1.021 1
1 682 . 6 1 1 A 60 60 THR CB C 121 68.868 69.290 -0.422 1
1 684 . 6 1 1 A 60 60 THR HA H 121 4.076 4.160 -0.084 1
1 686 . 6 1 1 A 60 60 THR H H 121 8.566 7.382 1.184 1
1 687 . 6 1 1 A 60 60 THR N N 121 115.479 115.027 0.452 1
1 691 . 6 1 1 A 61 61 ASN CA C 122 57.397 55.761 1.636 1
1 692 . 6 1 1 A 61 61 ASN CB C 122 39.535 38.518 1.017 1
1 693 . 6 1 1 A 61 61 ASN HA H 122 4.626 4.473 0.153 1
1 698 . 6 1 1 A 61 61 ASN H H 122 8.433 7.872 0.561 1
1 699 . 6 1 1 A 61 61 ASN N N 122 120.652 120.301 0.351 1
1 701 . 6 1 1 A 62 62 LEU CA C 123 58.804 58.304 0.500 1
1 702 . 6 1 1 A 62 62 LEU CB C 123 42.331 41.738 0.593 1
1 706 . 6 1 1 A 62 62 LEU HA H 123 4.068 4.010 0.058 1
1 710 . 6 1 1 A 62 62 LEU H H 123 8.837 8.409 0.428 1
1 711 . 6 1 1 A 62 62 LEU N N 123 121.425 117.354 4.071 1
1 718 . 6 1 1 A 63 63 ARG CA C 124 59.647 59.279 0.368 1
1 719 . 6 1 1 A 63 63 ARG CB C 124 30.112 30.020 0.092 1
1 722 . 6 1 1 A 63 63 ARG HA H 124 4.030 3.963 0.067 1
1 727 . 6 1 1 A 63 63 ARG H H 124 7.502 8.213 -0.711 1
1 728 . 6 1 1 A 63 63 ARG N N 124 116.156 119.696 -3.540 1
1 730 . 6 1 1 A 64 64 ALA CA C 125 54.793 55.002 -0.209 1
1 731 . 6 1 1 A 64 64 ALA CB C 125 18.471 19.024 -0.553 1
1 732 . 6 1 1 A 64 64 ALA HA H 125 4.260 4.021 0.239 1
1 733 . 6 1 1 A 64 64 ALA H H 125 7.637 8.363 -0.726 1
1 734 . 6 1 1 A 64 64 ALA N N 125 121.808 121.732 0.076 1
1 738 . 6 1 1 A 65 65 ILE CA C 126 64.917 64.923 -0.006 1
1 739 . 6 1 1 A 65 65 ILE CB C 126 39.599 37.697 1.902 1
1 743 . 6 1 1 A 65 65 ILE HA H 126 3.745 3.719 0.026 1
1 747 . 6 1 1 A 65 65 ILE H H 126 8.476 7.392 1.084 1
1 748 . 6 1 1 A 65 65 ILE N N 126 117.948 117.460 0.488 1
1 755 . 6 1 1 A 66 66 ILE CA C 127 64.704 64.939 -0.235 1
1 756 . 6 1 1 A 66 66 ILE CB C 127 37.188 37.713 -0.525 1
1 760 . 6 1 1 A 66 66 ILE HA H 127 3.826 3.738 0.088 1
1 764 . 6 1 1 A 66 66 ILE H H 127 8.130 8.188 -0.058 1
1 765 . 6 1 1 A 66 66 ILE N N 127 118.919 119.269 -0.350 1
1 772 . 6 1 1 A 67 67 GLY CA C 128 46.401 46.705 -0.304 1
1 773 . 6 1 1 A 67 67 GLY HA2 H 128 4.437 3.991 0.446 1
1 774 . 6 1 1 A 67 67 GLY HA3 H 128 3.925 3.992 -0.067 1
1 775 . 6 1 1 A 67 67 GLY H H 128 7.683 7.738 -0.055 1
1 776 . 6 1 1 A 67 67 GLY N N 128 104.485 109.044 -4.559 1
1 777 . 6 1 1 A 68 68 GLU CA C 129 55.446 54.965 0.481 1
1 778 . 6 1 1 A 68 68 GLU CB C 129 30.672 31.877 -1.205 1
1 780 . 6 1 1 A 68 68 GLU HA H 129 4.589 4.964 -0.375 1
1 785 . 6 1 1 A 68 68 GLU H H 129 7.111 8.182 -1.071 1
1 786 . 6 1 1 A 68 68 GLU N N 129 115.084 116.538 -1.454 1
1 787 . 6 1 1 A 69 69 MET CA C 130 55.238 54.787 0.451 1
1 788 . 6 1 1 A 69 69 MET CB C 130 36.559 36.458 0.101 1
1 791 . 6 1 1 A 69 69 MET HA H 130 4.763 4.834 -0.071 1
1 796 . 6 1 1 A 69 69 MET H H 130 8.414 8.663 -0.249 1
1 797 . 6 1 1 A 69 69 MET N N 130 121.732 120.825 0.907 1
1 801 . 6 1 1 A 70 70 GLU CA C 131 56.474 54.817 1.657 1
1 802 . 6 1 1 A 70 70 GLU CB C 131 30.686 32.092 -1.406 1
1 804 . 6 1 1 A 70 70 GLU HA H 131 4.354 4.950 -0.596 1
1 809 . 6 1 1 A 70 70 GLU H H 131 9.395 8.629 0.766 1
1 810 . 6 1 1 A 70 70 GLU N N 131 122.754 119.604 3.150 1
1 811 . 6 1 1 A 71 71 LEU CA C 132 59.955 58.239 1.716 1
1 812 . 6 1 1 A 71 71 LEU CB C 132 40.900 41.926 -1.026 1
1 816 . 6 1 1 A 71 71 LEU HA H 132 4.454 3.976 0.478 1
1 820 . 6 1 1 A 71 71 LEU H H 132 10.320 8.759 1.561 1
1 821 . 6 1 1 A 71 71 LEU N N 132 127.791 128.705 -0.914 1
1 828 . 6 1 1 A 72 72 ASP CA C 133 57.961 57.153 0.808 1
1 829 . 6 1 1 A 72 72 ASP CB C 133 40.031 40.983 -0.952 1
1 830 . 6 1 1 A 72 72 ASP HA H 133 4.452 4.352 0.100 1
1 831 . 6 1 1 A 72 72 ASP H H 133 9.283 8.333 0.950 1
1 832 . 6 1 1 A 72 72 ASP N N 133 117.573 119.147 -1.574 1
1 834 . 6 1 1 A 73 73 GLU CA C 134 58.070 59.385 -1.315 1
1 835 . 6 1 1 A 73 73 GLU CB C 134 30.329 29.635 0.694 1
1 837 . 6 1 1 A 73 73 GLU HA H 134 4.166 4.003 0.163 1
1 842 . 6 1 1 A 73 73 GLU H H 134 7.307 8.200 -0.893 1
1 843 . 6 1 1 A 73 73 GLU N N 134 118.947 119.003 -0.056 1
1 844 . 6 1 1 A 74 74 THR CA C 135 67.017 65.751 1.266 1
1 845 . 6 1 1 A 74 74 THR CB C 135 68.224 68.242 -0.018 1
1 847 . 6 1 1 A 74 74 THR HA H 135 3.966 4.054 -0.088 1
1 849 . 6 1 1 A 74 74 THR H H 135 8.334 8.568 -0.234 1
1 850 . 6 1 1 A 74 74 THR N N 135 116.702 114.214 2.488 1
1 854 . 6 1 1 A 75 75 LEU CA C 136 57.604 58.132 -0.528 1
1 855 . 6 1 1 A 75 75 LEU CB C 136 41.375 41.865 -0.490 1
1 859 . 6 1 1 A 75 75 LEU HA H 136 4.164 3.985 0.179 1
1 863 . 6 1 1 A 75 75 LEU H H 136 8.159 7.967 0.192 1
1 864 . 6 1 1 A 75 75 LEU N N 136 118.009 123.324 -5.315 1
1 871 . 6 1 1 A 76 76 SER CA C 137 58.446 56.812 1.634 1
1 872 . 6 1 1 A 76 76 SER CB C 137 63.709 63.310 0.399 1
1 873 . 6 1 1 A 76 76 SER HA H 137 4.808 4.784 0.024 1
1 876 . 6 1 1 A 76 76 SER H H 137 7.713 8.189 -0.476 1
1 877 . 6 1 1 A 76 76 SER N N 137 111.428 112.618 -1.190 1
1 878 . 6 1 1 A 77 77 GLY CA C 138 46.311 45.637 0.674 1
1 879 . 6 1 1 A 77 77 GLY HA2 H 138 4.815 4.185 0.630 1
1 880 . 6 1 1 A 77 77 GLY HA3 H 138 3.860 4.186 -0.326 1
1 881 . 6 1 1 A 77 77 GLY H H 138 7.779 8.175 -0.396 1
1 882 . 6 1 1 A 77 77 GLY N N 138 112.185 114.282 -2.097 1
1 883 . 6 1 1 A 78 78 ARG CA C 139 61.186 59.354 1.832 1
1 884 . 6 1 1 A 78 78 ARG CB C 139 29.871 29.681 0.190 1
1 887 . 6 1 1 A 78 78 ARG HA H 139 3.853 4.072 -0.219 1
1 892 . 6 1 1 A 78 78 ARG H H 139 8.311 8.119 0.192 1
1 893 . 6 1 1 A 78 78 ARG N N 139 121.172 119.691 1.481 1
1 895 . 6 1 1 A 79 79 ASP CA C 140 57.533 56.928 0.605 1
1 896 . 6 1 1 A 79 79 ASP CB C 140 39.905 40.144 -0.239 1
1 897 . 6 1 1 A 79 79 ASP HA H 140 4.630 4.372 0.258 1
1 900 . 6 1 1 A 79 79 ASP H H 140 8.749 8.540 0.209 1
1 901 . 6 1 1 A 79 79 ASP N N 140 114.843 118.131 -3.288 1
1 902 . 6 1 1 A 80 80 ILE CA C 141 63.732 64.240 -0.508 1
1 903 . 6 1 1 A 80 80 ILE CB C 141 38.239 37.921 0.318 1
1 907 . 6 1 1 A 80 80 ILE HA H 141 4.070 3.878 0.192 1
1 911 . 6 1 1 A 80 80 ILE H H 141 7.565 7.535 0.030 1
1 912 . 6 1 1 A 80 80 ILE N N 141 121.986 119.328 2.658 1
1 919 . 6 1 1 A 81 81 ILE CA C 142 66.387 65.089 1.298 1
1 920 . 6 1 1 A 81 81 ILE CB C 142 38.194 37.832 0.362 1
1 924 . 6 1 1 A 81 81 ILE HA H 142 3.531 3.689 -0.158 1
1 928 . 6 1 1 A 81 81 ILE H H 142 8.309 7.772 0.537 1
1 929 . 6 1 1 A 81 81 ILE N N 142 121.735 120.466 1.269 1
1 936 . 6 1 1 A 82 82 ASN CA C 143 56.121 55.676 0.445 1
1 937 . 6 1 1 A 82 82 ASN CB C 143 38.023 37.678 0.345 1
1 938 . 6 1 1 A 82 82 ASN HA H 143 4.369 4.451 -0.082 1
1 941 . 6 1 1 A 82 82 ASN H H 143 8.919 8.693 0.226 1
1 942 . 6 1 1 A 82 82 ASN N N 143 118.128 117.763 0.365 1
1 946 . 6 1 1 A 83 83 ALA CA C 144 55.230 55.486 -0.256 1
1 947 . 6 1 1 A 83 83 ALA CB C 144 18.378 18.366 0.012 1
1 948 . 6 1 1 A 83 83 ALA HA H 144 4.310 4.050 0.260 1
1 949 . 6 1 1 A 83 83 ALA H H 144 7.687 8.354 -0.667 1
1 950 . 6 1 1 A 83 83 ALA N N 144 122.048 122.426 -0.378 1
1 954 . 6 1 1 A 84 84 ARG CA C 145 58.842 59.320 -0.478 1
1 955 . 6 1 1 A 84 84 ARG CB C 145 30.415 30.031 0.384 1
1 958 . 6 1 1 A 84 84 ARG HA H 145 4.297 3.927 0.370 1
1 963 . 6 1 1 A 84 84 ARG H H 145 8.579 8.054 0.525 1
1 964 . 6 1 1 A 84 84 ARG N N 145 119.430 118.014 1.416 1
1 966 . 6 1 1 A 85 85 LEU CA C 146 57.861 57.751 0.110 1
1 967 . 6 1 1 A 85 85 LEU CB C 146 41.584 41.524 0.060 1
1 971 . 6 1 1 A 85 85 LEU HA H 146 4.054 3.925 0.129 1
1 975 . 6 1 1 A 85 85 LEU H H 146 9.083 7.667 1.416 1
1 976 . 6 1 1 A 85 85 LEU N N 146 119.149 120.319 -1.170 1
1 983 . 6 1 1 A 86 86 ARG CA C 147 60.723 59.671 1.052 1
1 984 . 6 1 1 A 86 86 ARG CB C 147 29.549 29.716 -0.167 1
1 987 . 6 1 1 A 86 86 ARG HA H 147 3.774 3.952 -0.178 1
1 992 . 6 1 1 A 86 86 ARG H H 147 7.971 8.083 -0.112 1
1 993 . 6 1 1 A 86 86 ARG N N 147 118.395 119.456 -1.061 1
1 995 . 6 1 1 A 87 87 GLU CA C 148 59.392 58.790 0.602 1
1 996 . 6 1 1 A 87 87 GLU CB C 148 29.740 29.387 0.353 1
1 998 . 6 1 1 A 87 87 GLU HA H 148 4.120 4.179 -0.059 1
1 1003 . 6 1 1 A 87 87 GLU H H 148 7.895 8.346 -0.451 1
1 1004 . 6 1 1 A 87 87 GLU N N 148 116.934 118.098 -1.164 1
1 1005 . 6 1 1 A 88 88 GLU CA C 149 58.455 58.219 0.236 1
1 1006 . 6 1 1 A 88 88 GLU CB C 149 29.306 29.710 -0.404 1
1 1008 . 6 1 1 A 88 88 GLU HA H 149 4.279 4.163 0.116 1
1 1013 . 6 1 1 A 88 88 GLU H H 149 8.228 8.197 0.031 1
1 1014 . 6 1 1 A 88 88 GLU N N 149 116.458 118.908 -2.450 1
1 1015 . 6 1 1 A 89 89 LEU CA C 150 57.767 55.813 1.954 1
1 1016 . 6 1 1 A 89 89 LEU CB C 150 42.450 43.416 -0.966 1
1 1020 . 6 1 1 A 89 89 LEU HA H 150 4.239 4.321 -0.082 1
1 1024 . 6 1 1 A 89 89 LEU H H 150 8.401 7.676 0.725 1
1 1025 . 6 1 1 A 89 89 LEU N N 150 117.854 117.387 0.467 1
1 1032 . 6 1 1 A 90 90 ASP CA C 151 56.503 56.263 0.240 1
1 1033 . 6 1 1 A 90 90 ASP CB C 151 42.435 40.825 1.610 1
1 1034 . 6 1 1 A 90 90 ASP HA H 151 5.034 4.689 0.345 1
1 1037 . 6 1 1 A 90 90 ASP H H 151 8.524 8.353 0.171 1
1 1038 . 6 1 1 A 90 90 ASP N N 151 118.978 119.100 -0.122 1
1 1039 . 6 1 1 A 91 91 LYS CA C 152 58.455 58.793 -0.338 1
1 1040 . 6 1 1 A 91 91 LYS CB C 152 33.021 32.615 0.406 1
1 1044 . 6 1 1 A 91 91 LYS HA H 152 4.279 4.071 0.208 1
1 1049 . 6 1 1 A 91 91 LYS H H 152 7.348 8.097 -0.749 1
1 1050 . 6 1 1 A 91 91 LYS N N 152 114.172 117.351 -3.179 1
1 1053 . 6 1 1 A 92 92 ILE CA C 153 61.448 62.306 -0.858 1
1 1054 . 6 1 1 A 92 92 ILE CB C 153 39.068 37.925 1.143 1
1 1058 . 6 1 1 A 92 92 ILE HA H 153 4.427 3.805 0.622 1
1 1062 . 6 1 1 A 92 92 ILE H H 153 7.597 7.701 -0.104 1
1 1063 . 6 1 1 A 92 92 ILE N N 153 114.441 120.191 -5.750 1
1 1070 . 6 1 1 A 93 93 THR CA C 154 65.433 63.437 1.996 1
1 1071 . 6 1 1 A 93 93 THR CB C 154 67.799 69.207 -1.408 1
1 1073 . 6 1 1 A 93 93 THR HA H 154 3.879 4.105 -0.226 1
1 1075 . 6 1 1 A 93 93 THR H H 154 8.195 7.363 0.832 1
1 1076 . 6 1 1 A 93 93 THR N N 154 110.253 112.540 -2.287 1
1 1080 . 6 1 1 A 94 94 ASP CA C 155 57.822 56.416 1.406 1
1 1081 . 6 1 1 A 94 94 ASP CB C 155 41.397 40.821 0.576 1
1 1082 . 6 1 1 A 94 94 ASP HA H 155 4.514 4.493 0.021 1
1 1085 . 6 1 1 A 94 94 ASP H H 155 8.474 8.107 0.367 1
1 1086 . 6 1 1 A 94 94 ASP N N 155 124.348 121.911 2.437 1
1 1087 . 6 1 1 A 95 95 ARG CA C 156 57.783 57.636 0.147 1
1 1088 . 6 1 1 A 95 95 ARG CB C 156 29.386 30.794 -1.408 1
1 1091 . 6 1 1 A 95 95 ARG HA H 156 4.173 4.301 -0.128 1
1 1096 . 6 1 1 A 95 95 ARG H H 156 7.680 7.861 -0.181 1
1 1097 . 6 1 1 A 95 95 ARG N N 156 117.839 116.883 0.956 1
1 1099 . 6 1 1 A 96 96 TRP CB C 157 29.856 29.931 -0.075 1
1 1105 . 6 1 1 A 96 96 TRP HA H 157 4.943 4.811 0.132 1
1 1112 . 6 1 1 A 96 96 TRP H H 157 7.880 7.540 0.340 1
1 1115 . 6 1 1 A 96 96 TRP N N 157 117.944 118.847 -0.903 1
1 1117 . 6 1 1 A 97 97 GLY CA C 158 46.688 46.326 0.362 1
1 1118 . 6 1 1 A 97 97 GLY HA2 H 158 4.411 4.033 0.378 1
1 1119 . 6 1 1 A 97 97 GLY HA3 H 158 4.249 4.050 0.199 1
1 1120 . 6 1 1 A 97 97 GLY H H 158 7.972 8.239 -0.267 1
1 1121 . 6 1 1 A 97 97 GLY N N 158 104.253 109.457 -5.204 1
1 1122 . 6 1 1 A 98 98 VAL CA C 159 60.417 61.337 -0.920 1
1 1123 . 6 1 1 A 98 98 VAL CB C 159 36.365 34.628 1.737 1
1 1126 . 6 1 1 A 98 98 VAL HA H 159 5.012 4.516 0.496 1
1 1128 . 6 1 1 A 98 98 VAL H H 159 7.468 8.110 -0.642 1
1 1129 . 6 1 1 A 98 98 VAL N N 159 115.979 120.649 -4.670 1
1 1136 . 6 1 1 A 99 99 LYS CA C 160 53.521 54.398 -0.877 1
1 1137 . 6 1 1 A 99 99 LYS CB C 160 36.083 35.656 0.427 1
1 1141 . 6 1 1 A 99 99 LYS HA H 160 5.053 5.115 -0.062 1
1 1148 . 6 1 1 A 99 99 LYS H H 160 9.259 8.721 0.538 1
1 1149 . 6 1 1 A 99 99 LYS N N 160 126.977 128.475 -1.498 1
1 1151 . 6 1 1 A 100 100 ILE CB C 161 35.185 37.100 -1.915 1
1 1155 . 6 1 1 A 100 100 ILE HA H 161 4.896 4.464 0.432 1
1 1159 . 6 1 1 A 100 100 ILE H H 161 9.310 8.543 0.767 1
1 1160 . 6 1 1 A 100 100 ILE N N 161 127.468 127.745 -0.277 1
1 1167 . 6 1 1 A 101 101 THR CA C 162 63.075 65.550 -2.475 1
1 1168 . 6 1 1 A 101 101 THR CB C 162 67.345 68.821 -1.476 1
1 1170 . 6 1 1 A 101 101 THR HA H 162 4.254 4.067 0.187 1
1 1172 . 6 1 1 A 101 101 THR H H 162 8.783 8.115 0.668 1
1 1173 . 6 1 1 A 101 101 THR N N 162 120.609 120.696 -0.087 1
1 1177 . 6 1 1 A 102 102 ARG CA C 163 55.929 54.944 0.985 1
1 1178 . 6 1 1 A 102 102 ARG CB C 163 32.468 32.227 0.241 1
1 1181 . 6 1 1 A 102 102 ARG HA H 163 4.606 4.645 -0.039 1
1 1188 . 6 1 1 A 102 102 ARG H H 163 7.669 7.649 0.020 1
1 1189 . 6 1 1 A 102 102 ARG N N 163 118.258 117.931 0.327 1
1 1190 . 6 1 1 A 103 103 VAL CB C 164 35.090 34.849 0.241 1
1 1193 . 6 1 1 A 103 103 VAL HA H 164 4.886 4.704 0.182 1
1 1195 . 6 1 1 A 103 103 VAL H H 164 8.700 8.348 0.352 1
1 1196 . 6 1 1 A 103 103 VAL N N 164 122.135 119.476 2.659 1
1 1203 . 6 1 1 A 104 104 GLU CA C 165 54.469 54.914 -0.445 1
1 1204 . 6 1 1 A 104 104 GLU CB C 165 33.028 32.015 1.013 1
1 1206 . 6 1 1 A 104 104 GLU HA H 165 4.835 4.848 -0.013 1
1 1209 . 6 1 1 A 104 104 GLU H H 165 9.011 8.603 0.408 1
1 1210 . 6 1 1 A 104 104 GLU N N 165 123.789 126.529 -2.740 1
1 1212 . 6 1 1 A 105 105 ILE CA C 166 61.576 59.660 1.916 1
1 1213 . 6 1 1 A 105 105 ILE CB C 166 37.908 40.808 -2.900 1
1 1217 . 6 1 1 A 105 105 ILE HA H 166 4.525 4.918 -0.393 1
1 1219 . 6 1 1 A 105 105 ILE H H 166 9.869 8.962 0.907 1
1 1220 . 6 1 1 A 105 105 ILE N N 166 130.058 124.193 5.865 1
1 1229 . 6 1 1 A 106 106 GLN CA C 167 55.964 54.109 1.855 1
1 1230 . 6 1 1 A 106 106 GLN CB C 167 28.789 31.002 -2.213 1
1 1232 . 6 1 1 A 106 106 GLN HA H 167 4.661 4.681 -0.020 1
1 1239 . 6 1 1 A 106 106 GLN H H 167 8.573 8.323 0.250 1
1 1240 . 6 1 1 A 106 106 GLN N N 167 127.576 125.342 2.234 1
1 1242 . 6 1 1 A 107 107 ARG CA C 168 56.113 56.717 -0.604 1
1 1243 . 6 1 1 A 107 107 ARG CB C 168 32.098 31.060 1.038 1
1 1246 . 6 1 1 A 107 107 ARG HA H 168 4.468 4.287 0.181 1
1 1251 . 6 1 1 A 107 107 ARG H H 168 8.762 8.243 0.519 1
1 1252 . 6 1 1 A 107 107 ARG N N 168 122.725 121.983 0.742 1
1 1254 . 6 1 1 A 108 108 ILE CA C 169 61.618 59.697 1.921 1
1 1255 . 6 1 1 A 108 108 ILE CB C 169 39.583 40.908 -1.325 1
1 1259 . 6 1 1 A 108 108 ILE HA H 169 4.451 4.846 -0.395 1
1 1263 . 6 1 1 A 108 108 ILE H H 169 7.996 8.335 -0.339 1
1 1264 . 6 1 1 A 108 108 ILE N N 169 120.383 125.041 -4.658 1
1 1271 . 6 1 1 A 109 109 ASP CA C 170 51.571 50.448 1.123 1
1 1272 . 6 1 1 A 109 109 ASP CB C 170 42.763 41.832 0.931 1
1 1273 . 6 1 1 A 109 109 ASP HA H 170 5.579 5.152 0.427 1
1 1276 . 6 1 1 A 109 109 ASP H H 170 9.067 8.485 0.582 1
1 1277 . 6 1 1 A 109 109 ASP N N 170 126.604 125.041 1.563 1
1 1278 . 6 1 1 A 110 110 PRO CA C 171 61.302 61.378 -0.076 1
1 1279 . 6 1 1 A 110 110 PRO CB C 171 30.857 31.353 -0.496 1
1 1282 . 6 1 1 A 110 110 PRO HA H 171 5.081 4.714 0.367 1
1 1288 . 6 1 1 A 111 111 PRO CA C 172 63.367 62.743 0.624 1
1 1289 . 6 1 1 A 111 111 PRO CB C 172 32.050 31.904 0.146 1
1 1292 . 6 1 1 A 111 111 PRO HA H 172 4.568 4.505 0.063 1
1 1298 . 6 1 1 A 112 112 LYS CA C 173 55.951 57.236 -1.285 1
1 1299 . 6 1 1 A 112 112 LYS CB C 173 33.412 33.204 0.208 1
1 1303 . 6 1 1 A 112 112 LYS HA H 173 4.465 4.257 0.208 1
1 1306 . 6 1 1 A 112 112 LYS H H 173 8.533 8.351 0.182 1
1 1307 . 6 1 1 A 112 112 LYS N N 173 122.499 122.090 0.409 1
1 1 . 7 1 1 A 2 2 SER HA H 63 4.660 4.897 -0.237 1
1 4 . 7 1 1 A 2 2 SER CB C 63 63.645 66.894 -3.249 1
1 5 . 7 1 1 A 3 3 ASP HA H 64 4.688 4.595 0.093 1
1 8 . 7 1 1 A 3 3 ASP H H 64 8.603 8.739 -0.136 1
1 9 . 7 1 1 A 3 3 ASP CA C 64 54.354 55.004 -0.650 1
1 10 . 7 1 1 A 3 3 ASP CB C 64 40.980 41.417 -0.437 1
1 11 . 7 1 1 A 3 3 ASP N N 64 122.069 125.396 -3.327 1
1 12 . 7 1 1 A 4 4 HIS HA H 65 4.735 5.084 -0.349 1
1 17 . 7 1 1 A 4 4 HIS H H 65 8.354 8.547 -0.193 1
1 18 . 7 1 1 A 4 4 HIS CA C 65 56.220 54.227 1.993 1
1 19 . 7 1 1 A 4 4 HIS CB C 65 30.570 31.445 -0.875 1
1 22 . 7 1 1 A 4 4 HIS N N 65 119.219 117.721 1.498 1
1 29 . 7 1 1 A 5 5 VAL HA H 66 4.183 4.306 -0.123 1
1 31 . 7 1 1 A 5 5 VAL H H 66 8.073 8.923 -0.850 1
1 32 . 7 1 1 A 5 5 VAL CA C 66 62.127 60.321 1.806 1
1 33 . 7 1 1 A 5 5 VAL CB C 66 32.960 31.717 1.243 1
1 36 . 7 1 1 A 5 5 VAL N N 66 121.775 118.005 3.770 1
1 37 . 7 1 1 A 6 6 ASP CA C 67 53.727 53.088 0.639 1
1 38 . 7 1 1 A 6 6 ASP CB C 67 41.472 44.403 -2.931 1
1 39 . 7 1 1 A 6 6 ASP HA H 67 4.771 5.164 -0.393 1
1 42 . 7 1 1 A 6 6 ASP H H 67 8.615 7.857 0.758 1
1 43 . 7 1 1 A 6 6 ASP N N 67 124.725 121.594 3.131 1
1 44 . 7 1 1 A 7 7 LEU CA C 68 54.586 54.216 0.370 1
1 45 . 7 1 1 A 7 7 LEU CB C 68 41.657 41.130 0.527 1
1 49 . 7 1 1 A 7 7 LEU HA H 68 4.556 4.671 -0.115 1
1 53 . 7 1 1 A 7 7 LEU H H 68 8.441 8.573 -0.132 1
1 54 . 7 1 1 A 7 7 LEU N N 68 123.747 124.262 -0.515 1
1 61 . 7 1 1 A 8 8 ARG CA C 69 56.247 56.253 -0.006 1
1 62 . 7 1 1 A 8 8 ARG CB C 69 30.828 30.441 0.387 1
1 65 . 7 1 1 A 8 8 ARG HA H 69 4.253 4.142 0.111 1
1 70 . 7 1 1 A 8 8 ARG H H 69 8.209 7.506 0.703 1
1 71 . 7 1 1 A 8 8 ARG N N 69 121.063 119.943 1.120 1
1 73 . 7 1 1 A 9 9 GLU CA C 70 55.691 53.991 1.700 1
1 74 . 7 1 1 A 9 9 GLU CB C 70 31.777 33.383 -1.606 1
1 76 . 7 1 1 A 9 9 GLU HA H 70 4.655 4.849 -0.194 1
1 79 . 7 1 1 A 9 9 GLU H H 70 8.338 8.496 -0.158 1
1 80 . 7 1 1 A 9 9 GLU N N 70 121.677 121.131 0.546 1
1 82 . 7 1 1 A 10 10 HIS CA C 71 54.619 54.224 0.395 1
1 83 . 7 1 1 A 10 10 HIS CB C 71 32.189 33.114 -0.925 1
1 86 . 7 1 1 A 10 10 HIS HA H 71 4.716 4.747 -0.031 1
1 91 . 7 1 1 A 10 10 HIS H H 71 9.043 8.052 0.991 1
1 92 . 7 1 1 A 10 10 HIS N N 71 125.575 117.659 7.916 1
1 93 . 7 1 1 A 11 11 VAL CA C 72 60.567 60.055 0.512 1
1 94 . 7 1 1 A 11 11 VAL CB C 72 35.380 33.872 1.508 1
1 97 . 7 1 1 A 11 11 VAL HA H 72 4.951 4.645 0.306 1
1 99 . 7 1 1 A 11 11 VAL H H 72 8.218 8.773 -0.555 1
1 100 . 7 1 1 A 11 11 VAL N N 72 117.348 122.170 -4.822 1
1 107 . 7 1 1 A 12 12 ILE CA C 73 59.857 60.033 -0.176 1
1 108 . 7 1 1 A 12 12 ILE CB C 73 41.969 39.592 2.377 1
1 112 . 7 1 1 A 12 12 ILE HA H 73 4.464 4.910 -0.446 1
1 116 . 7 1 1 A 12 12 ILE H H 73 9.272 9.230 0.042 1
1 117 . 7 1 1 A 12 12 ILE N N 73 126.908 129.208 -2.300 1
1 124 . 7 1 1 A 13 13 ASP CB C 74 41.534 40.886 0.648 1
1 125 . 7 1 1 A 13 13 ASP HA H 74 4.885 4.959 -0.074 1
1 128 . 7 1 1 A 13 13 ASP H H 74 8.501 8.947 -0.446 1
1 129 . 7 1 1 A 13 13 ASP N N 74 126.253 128.396 -2.143 1
1 130 . 7 1 1 A 14 14 VAL CA C 75 59.550 59.689 -0.139 1
1 131 . 7 1 1 A 14 14 VAL CB C 75 32.270 33.591 -1.321 1
1 134 . 7 1 1 A 14 14 VAL HA H 75 4.491 4.770 -0.279 1
1 136 . 7 1 1 A 14 14 VAL H H 75 8.758 8.965 -0.207 1
1 137 . 7 1 1 A 14 14 VAL N N 75 124.997 125.151 -0.154 1
1 144 . 7 1 1 A 15 15 PRO CB C 76 30.981 31.731 -0.750 1
1 147 . 7 1 1 A 15 15 PRO HA H 76 4.837 4.700 0.137 1
1 153 . 7 1 1 A 16 16 PRO CB C 77 32.267 33.023 -0.756 1
1 156 . 7 1 1 A 16 16 PRO HA H 77 4.881 4.851 0.030 1
1 162 . 7 1 1 A 17 17 GLN CA C 78 53.332 55.197 -1.865 1
1 163 . 7 1 1 A 17 17 GLN CB C 78 33.352 31.968 1.384 1
1 165 . 7 1 1 A 17 17 GLN HA H 78 4.768 4.558 0.210 1
1 170 . 7 1 1 A 17 17 GLN H H 78 8.612 8.451 0.161 1
1 171 . 7 1 1 A 17 17 GLN N N 78 119.550 121.126 -1.576 1
1 175 . 7 1 1 A 18 18 GLU CA C 79 55.955 56.233 -0.278 1
1 176 . 7 1 1 A 18 18 GLU CB C 79 30.087 30.215 -0.128 1
1 178 . 7 1 1 A 18 18 GLU HA H 79 5.070 4.698 0.372 1
1 183 . 7 1 1 A 18 18 GLU H H 79 8.626 8.704 -0.078 1
1 184 . 7 1 1 A 18 18 GLU N N 79 123.226 126.493 -3.267 1
1 185 . 7 1 1 A 19 19 VAL CA C 80 60.191 59.101 1.090 1
1 186 . 7 1 1 A 19 19 VAL CB C 80 34.901 34.789 0.112 1
1 189 . 7 1 1 A 19 19 VAL HA H 80 4.562 4.859 -0.297 1
1 191 . 7 1 1 A 19 19 VAL H H 80 9.568 8.309 1.259 1
1 192 . 7 1 1 A 19 19 VAL N N 80 123.365 117.851 5.514 1
1 199 . 7 1 1 A 20 20 ILE CA C 81 60.810 60.839 -0.029 1
1 200 . 7 1 1 A 20 20 ILE CB C 81 39.198 37.458 1.740 1
1 204 . 7 1 1 A 20 20 ILE HA H 81 4.678 4.301 0.377 1
1 208 . 7 1 1 A 20 20 ILE H H 81 8.048 8.717 -0.669 1
1 209 . 7 1 1 A 20 20 ILE N N 81 122.564 123.913 -1.349 1
1 216 . 7 1 1 A 21 21 CYS CB C 82 29.386 28.719 0.667 1
1 217 . 7 1 1 A 21 21 CYS HA H 82 4.932 4.478 0.454 1
1 220 . 7 1 1 A 21 21 CYS H H 82 8.796 9.164 -0.368 1
1 221 . 7 1 1 A 21 21 CYS N N 82 125.960 126.935 -0.975 1
1 222 . 7 1 1 A 22 22 LYS CA C 83 59.330 59.326 0.004 1
1 223 . 7 1 1 A 22 22 LYS CB C 83 33.478 32.401 1.077 1
1 227 . 7 1 1 A 22 22 LYS HA H 83 4.096 4.029 0.067 1
1 234 . 7 1 1 A 22 22 LYS H H 83 8.735 8.648 0.087 1
1 235 . 7 1 1 A 22 22 LYS N N 83 123.785 124.716 -0.931 1
1 237 . 7 1 1 A 23 23 ASP CA C 84 53.011 53.027 -0.016 1
1 238 . 7 1 1 A 23 23 ASP CB C 84 38.642 40.568 -1.926 1
1 239 . 7 1 1 A 23 23 ASP HA H 84 4.694 4.734 -0.040 1
1 242 . 7 1 1 A 23 23 ASP H H 84 8.667 7.681 0.986 1
1 243 . 7 1 1 A 23 23 ASP N N 84 112.676 118.089 -5.413 1
1 244 . 7 1 1 A 24 24 ASN CA C 85 54.989 54.143 0.846 1
1 245 . 7 1 1 A 24 24 ASN CB C 85 36.698 37.358 -0.660 1
1 246 . 7 1 1 A 24 24 ASN HA H 85 4.321 4.356 -0.035 1
1 251 . 7 1 1 A 24 24 ASN H H 85 8.264 8.116 0.148 1
1 252 . 7 1 1 A 24 24 ASN N N 85 112.321 117.715 -5.394 1
1 254 . 7 1 1 A 25 25 VAL CA C 86 61.920 61.380 0.540 1
1 255 . 7 1 1 A 25 25 VAL CB C 86 33.581 32.702 0.879 1
1 258 . 7 1 1 A 25 25 VAL HA H 86 4.247 4.346 -0.099 1
1 260 . 7 1 1 A 25 25 VAL H H 86 6.817 7.659 -0.842 1
1 261 . 7 1 1 A 25 25 VAL N N 86 117.663 119.007 -1.344 1
1 268 . 7 1 1 A 26 26 VAL CA C 87 62.127 62.770 -0.643 1
1 269 . 7 1 1 A 26 26 VAL CB C 87 32.468 31.175 1.293 1
1 272 . 7 1 1 A 26 26 VAL HA H 87 4.710 4.479 0.231 1
1 274 . 7 1 1 A 26 26 VAL H H 87 8.467 8.739 -0.272 1
1 275 . 7 1 1 A 26 26 VAL N N 87 128.149 127.916 0.233 1
1 282 . 7 1 1 A 27 27 VAL CA C 88 58.409 58.959 -0.550 1
1 283 . 7 1 1 A 27 27 VAL CB C 88 34.991 35.587 -0.596 1
1 286 . 7 1 1 A 27 27 VAL HA H 88 4.995 5.014 -0.019 1
1 288 . 7 1 1 A 27 27 VAL H H 88 8.983 8.474 0.509 1
1 289 . 7 1 1 A 27 27 VAL N N 88 119.421 121.563 -2.142 1
1 296 . 7 1 1 A 28 28 THR CA C 89 62.180 62.217 -0.037 1
1 297 . 7 1 1 A 28 28 THR CB C 89 69.351 69.307 0.044 1
1 299 . 7 1 1 A 28 28 THR HA H 89 5.249 4.741 0.508 1
1 301 . 7 1 1 A 28 28 THR H H 89 8.544 8.706 -0.162 1
1 302 . 7 1 1 A 28 28 THR N N 89 118.810 119.171 -0.361 1
1 306 . 7 1 1 A 29 29 VAL CA C 90 58.826 59.653 -0.827 1
1 307 . 7 1 1 A 29 29 VAL CB C 90 36.035 33.844 2.191 1
1 310 . 7 1 1 A 29 29 VAL HA H 90 5.527 5.051 0.476 1
1 312 . 7 1 1 A 29 29 VAL H H 90 8.818 8.950 -0.132 1
1 313 . 7 1 1 A 29 29 VAL N N 90 123.670 122.256 1.414 1
1 320 . 7 1 1 A 30 30 ASP CA C 91 52.821 54.256 -1.435 1
1 321 . 7 1 1 A 30 30 ASP CB C 91 42.960 45.159 -2.199 1
1 322 . 7 1 1 A 30 30 ASP HA H 91 4.785 5.206 -0.421 1
1 325 . 7 1 1 A 30 30 ASP H H 91 8.478 8.787 -0.309 1
1 326 . 7 1 1 A 30 30 ASP N N 91 125.411 121.539 3.872 1
1 327 . 7 1 1 A 31 31 ALA CA C 92 51.718 51.345 0.373 1
1 328 . 7 1 1 A 31 31 ALA CB C 92 22.216 23.375 -1.159 1
1 329 . 7 1 1 A 31 31 ALA HA H 92 5.268 4.967 0.301 1
1 330 . 7 1 1 A 31 31 ALA H H 92 8.075 8.225 -0.150 1
1 331 . 7 1 1 A 31 31 ALA N N 92 116.806 124.086 -7.280 1
1 335 . 7 1 1 A 32 32 VAL CB C 93 34.772 33.614 1.158 1
1 338 . 7 1 1 A 32 32 VAL HA H 93 4.901 4.915 -0.014 1
1 340 . 7 1 1 A 32 32 VAL H H 93 8.306 8.657 -0.351 1
1 341 . 7 1 1 A 32 32 VAL N N 93 117.482 115.817 1.665 1
1 348 . 7 1 1 A 33 33 VAL CA C 94 61.058 60.880 0.178 1
1 349 . 7 1 1 A 33 33 VAL CB C 94 34.773 35.560 -0.787 1
1 352 . 7 1 1 A 33 33 VAL HA H 94 4.515 5.014 -0.499 1
1 354 . 7 1 1 A 33 33 VAL H H 94 8.873 8.733 0.140 1
1 355 . 7 1 1 A 33 33 VAL N N 94 124.653 121.948 2.705 1
1 362 . 7 1 1 A 34 34 TYR CA C 95 56.333 57.528 -1.195 1
1 363 . 7 1 1 A 34 34 TYR CB C 95 40.336 41.197 -0.861 1
1 366 . 7 1 1 A 34 34 TYR HA H 95 5.834 5.594 0.240 1
1 371 . 7 1 1 A 34 34 TYR H H 95 8.989 8.772 0.217 1
1 372 . 7 1 1 A 34 34 TYR N N 95 126.081 127.238 -1.157 1
1 375 . 7 1 1 A 35 35 TYR CA C 96 55.679 56.645 -0.966 1
1 376 . 7 1 1 A 35 35 TYR CB C 96 42.824 40.839 1.985 1
1 379 . 7 1 1 A 35 35 TYR HA H 96 6.097 5.639 0.458 1
1 384 . 7 1 1 A 35 35 TYR H H 96 9.102 8.373 0.729 1
1 385 . 7 1 1 A 35 35 TYR N N 96 117.188 118.561 -1.373 1
1 388 . 7 1 1 A 36 36 GLN CB C 97 33.643 32.028 1.615 1
1 390 . 7 1 1 A 36 36 GLN HA H 97 4.942 4.838 0.104 1
1 395 . 7 1 1 A 36 36 GLN H H 97 9.441 8.598 0.843 1
1 396 . 7 1 1 A 36 36 GLN N N 97 118.000 119.386 -1.386 1
1 399 . 7 1 1 A 37 37 VAL CA C 98 63.621 63.331 0.290 1
1 400 . 7 1 1 A 37 37 VAL CB C 98 31.380 30.742 0.638 1
1 403 . 7 1 1 A 37 37 VAL HA H 98 4.286 4.064 0.222 1
1 405 . 7 1 1 A 37 37 VAL H H 98 9.692 8.908 0.784 1
1 406 . 7 1 1 A 37 37 VAL N N 98 126.436 123.823 2.613 1
1 413 . 7 1 1 A 38 38 ILE CA C 99 61.011 63.032 -2.021 1
1 414 . 7 1 1 A 38 38 ILE CB C 99 38.943 38.266 0.677 1
1 418 . 7 1 1 A 38 38 ILE HA H 99 4.514 4.204 0.310 1
1 422 . 7 1 1 A 38 38 ILE H H 99 8.540 8.177 0.363 1
1 423 . 7 1 1 A 38 38 ILE N N 99 123.480 124.090 -0.610 1
1 430 . 7 1 1 A 39 39 ASP CA C 100 50.850 50.795 0.055 1
1 431 . 7 1 1 A 39 39 ASP CB C 100 41.979 42.039 -0.060 1
1 432 . 7 1 1 A 39 39 ASP HA H 100 5.326 5.042 0.284 1
1 435 . 7 1 1 A 39 39 ASP H H 100 8.135 7.946 0.189 1
1 436 . 7 1 1 A 39 39 ASP N N 100 119.056 122.440 -3.384 1
1 437 . 7 1 1 A 40 40 PRO CA C 101 64.279 64.013 0.266 1
1 438 . 7 1 1 A 40 40 PRO CB C 101 32.510 31.843 0.667 1
1 441 . 7 1 1 A 40 40 PRO HA H 101 4.299 4.386 -0.087 1
1 448 . 7 1 1 A 41 41 VAL CA C 102 65.120 64.940 0.180 1
1 449 . 7 1 1 A 41 41 VAL CB C 102 31.406 31.860 -0.454 1
1 452 . 7 1 1 A 41 41 VAL HA H 102 3.886 3.855 0.031 1
1 454 . 7 1 1 A 41 41 VAL H H 102 7.936 7.587 0.349 1
1 455 . 7 1 1 A 41 41 VAL N N 102 118.168 116.977 1.191 1
1 462 . 7 1 1 A 42 42 LYS CA C 103 57.852 59.283 -1.431 1
1 463 . 7 1 1 A 42 42 LYS CB C 103 33.597 32.807 0.790 1
1 467 . 7 1 1 A 42 42 LYS HA H 103 4.242 4.224 0.018 1
1 472 . 7 1 1 A 42 42 LYS H H 103 7.240 7.923 -0.683 1
1 473 . 7 1 1 A 42 42 LYS N N 103 118.280 119.932 -1.652 1
1 476 . 7 1 1 A 43 43 ALA CA C 104 53.615 51.869 1.746 1
1 477 . 7 1 1 A 43 43 ALA CB C 104 18.578 18.586 -0.008 1
1 478 . 7 1 1 A 43 43 ALA HA H 104 4.632 3.937 0.695 1
1 479 . 7 1 1 A 43 43 ALA H H 104 7.702 7.517 0.185 1
1 480 . 7 1 1 A 43 43 ALA N N 104 122.122 121.007 1.115 1
1 484 . 7 1 1 A 44 44 VAL CA C 105 62.530 62.345 0.185 1
1 485 . 7 1 1 A 44 44 VAL CB C 105 31.680 31.735 -0.055 1
1 488 . 7 1 1 A 44 44 VAL HA H 105 4.197 4.153 0.044 1
1 490 . 7 1 1 A 44 44 VAL H H 105 7.682 7.671 0.011 1
1 491 . 7 1 1 A 44 44 VAL N N 105 115.037 116.024 -0.987 1
1 498 . 7 1 1 A 45 45 TYR CA C 106 57.222 57.280 -0.058 1
1 499 . 7 1 1 A 45 45 TYR CB C 106 38.651 37.693 0.958 1
1 502 . 7 1 1 A 45 45 TYR HA H 106 4.652 4.602 0.050 1
1 505 . 7 1 1 A 45 45 TYR H H 106 7.436 7.227 0.209 1
1 506 . 7 1 1 A 45 45 TYR N N 106 118.804 121.401 -2.597 1
1 510 . 7 1 1 A 46 46 ASN CB C 107 39.028 36.783 2.245 1
1 511 . 7 1 1 A 46 46 ASN HA H 107 4.959 4.324 0.635 1
1 516 . 7 1 1 A 46 46 ASN H H 107 8.614 8.107 0.507 1
1 517 . 7 1 1 A 46 46 ASN N N 107 118.495 113.584 4.911 1
1 519 . 7 1 1 A 47 47 VAL CA C 108 65.178 63.360 1.818 1
1 520 . 7 1 1 A 47 47 VAL CB C 108 32.022 30.020 2.002 1
1 523 . 7 1 1 A 47 47 VAL HA H 108 3.952 3.685 0.267 1
1 525 . 7 1 1 A 47 47 VAL H H 108 8.342 7.945 0.397 1
1 526 . 7 1 1 A 47 47 VAL N N 108 123.377 110.522 12.855 1
1 533 . 7 1 1 A 48 48 SER CA C 109 61.473 60.276 1.197 1
1 534 . 7 1 1 A 48 48 SER CB C 109 62.248 63.804 -1.556 1
1 535 . 7 1 1 A 48 48 SER HA H 109 4.298 4.612 -0.314 1
1 536 . 7 1 1 A 48 48 SER H H 109 8.353 8.310 0.043 1
1 537 . 7 1 1 A 48 48 SER N N 109 116.439 113.882 2.557 1
1 539 . 7 1 1 A 49 49 ASP CA C 110 56.211 57.214 -1.003 1
1 540 . 7 1 1 A 49 49 ASP CB C 110 40.691 40.275 0.416 1
1 541 . 7 1 1 A 49 49 ASP HA H 110 4.534 4.232 0.302 1
1 542 . 7 1 1 A 49 49 ASP H H 110 7.832 8.095 -0.263 1
1 543 . 7 1 1 A 49 49 ASP N N 110 121.141 122.633 -1.492 1
1 545 . 7 1 1 A 50 50 PHE CA C 111 60.009 61.029 -1.020 1
1 546 . 7 1 1 A 50 50 PHE CB C 111 38.598 39.387 -0.789 1
1 550 . 7 1 1 A 50 50 PHE HA H 111 3.486 4.041 -0.555 1
1 555 . 7 1 1 A 50 50 PHE H H 111 8.044 8.258 -0.214 1
1 557 . 7 1 1 A 50 50 PHE N N 111 122.621 122.058 0.563 1
1 560 . 7 1 1 A 51 51 LEU CA C 112 58.009 58.292 -0.283 1
1 561 . 7 1 1 A 51 51 LEU CB C 112 41.213 42.056 -0.843 1
1 565 . 7 1 1 A 51 51 LEU HA H 112 3.546 3.819 -0.273 1
1 569 . 7 1 1 A 51 51 LEU H H 112 8.046 8.511 -0.465 1
1 570 . 7 1 1 A 51 51 LEU N N 112 119.691 120.294 -0.603 1
1 577 . 7 1 1 A 52 52 MET CA C 113 57.696 58.419 -0.723 1
1 578 . 7 1 1 A 52 52 MET CB C 113 32.289 32.344 -0.055 1
1 581 . 7 1 1 A 52 52 MET HA H 113 4.231 4.091 0.140 1
1 586 . 7 1 1 A 52 52 MET H H 113 7.563 7.934 -0.371 1
1 587 . 7 1 1 A 52 52 MET N N 113 115.770 116.654 -0.884 1
1 591 . 7 1 1 A 53 53 ALA CA C 114 54.815 55.211 -0.396 1
1 592 . 7 1 1 A 53 53 ALA CB C 114 18.369 18.105 0.264 1
1 593 . 7 1 1 A 53 53 ALA HA H 114 4.199 4.037 0.162 1
1 594 . 7 1 1 A 53 53 ALA H H 114 7.878 8.435 -0.557 1
1 595 . 7 1 1 A 53 53 ALA N N 114 121.804 122.868 -1.064 1
1 599 . 7 1 1 A 54 54 ILE CA C 115 63.259 64.759 -1.500 1
1 600 . 7 1 1 A 54 54 ILE CB C 115 36.127 37.523 -1.396 1
1 604 . 7 1 1 A 54 54 ILE HA H 115 3.767 3.459 0.308 1
1 608 . 7 1 1 A 54 54 ILE H H 115 8.202 7.871 0.331 1
1 609 . 7 1 1 A 54 54 ILE N N 115 118.054 119.337 -1.283 1
1 616 . 7 1 1 A 55 55 VAL CA C 116 68.036 65.168 2.868 1
1 617 . 7 1 1 A 55 55 VAL CB C 116 31.463 31.436 0.027 1
1 620 . 7 1 1 A 55 55 VAL HA H 116 3.509 3.890 -0.381 1
1 622 . 7 1 1 A 55 55 VAL H H 116 7.961 7.438 0.523 1
1 623 . 7 1 1 A 55 55 VAL N N 116 121.095 115.907 5.188 1
1 630 . 7 1 1 A 56 56 LYS CA C 117 59.077 57.260 1.817 1
1 631 . 7 1 1 A 56 56 LYS CB C 117 31.997 32.676 -0.679 1
1 635 . 7 1 1 A 56 56 LYS HA H 117 4.297 4.191 0.106 1
1 638 . 7 1 1 A 56 56 LYS H H 117 8.000 7.590 0.410 1
1 639 . 7 1 1 A 56 56 LYS N N 117 118.806 120.966 -2.160 1
1 643 . 7 1 1 A 57 57 LEU CA C 118 57.515 57.230 0.285 1
1 644 . 7 1 1 A 57 57 LEU CB C 118 42.727 41.605 1.122 1
1 648 . 7 1 1 A 57 57 LEU HA H 118 4.286 4.202 0.084 1
1 652 . 7 1 1 A 57 57 LEU H H 118 8.390 7.674 0.716 1
1 653 . 7 1 1 A 57 57 LEU N N 118 120.738 118.797 1.941 1
1 660 . 7 1 1 A 58 58 ALA CA C 119 55.695 55.425 0.270 1
1 661 . 7 1 1 A 58 58 ALA CB C 119 17.984 18.234 -0.250 1
1 662 . 7 1 1 A 58 58 ALA HA H 119 4.131 4.043 0.088 1
1 663 . 7 1 1 A 58 58 ALA H H 119 9.213 8.157 1.056 1
1 664 . 7 1 1 A 58 58 ALA N N 119 123.641 122.476 1.165 1
1 668 . 7 1 1 A 59 59 GLN CA C 120 60.234 58.840 1.394 1
1 669 . 7 1 1 A 59 59 GLN CB C 120 28.353 28.259 0.094 1
1 671 . 7 1 1 A 59 59 GLN HA H 120 3.972 4.041 -0.069 1
1 678 . 7 1 1 A 59 59 GLN H H 120 8.649 8.105 0.544 1
1 679 . 7 1 1 A 59 59 GLN N N 120 116.453 117.804 -1.351 1
1 681 . 7 1 1 A 60 60 THR CA C 121 66.360 66.147 0.213 1
1 682 . 7 1 1 A 60 60 THR CB C 121 68.868 69.183 -0.315 1
1 684 . 7 1 1 A 60 60 THR HA H 121 4.076 4.089 -0.013 1
1 686 . 7 1 1 A 60 60 THR H H 121 8.566 7.541 1.025 1
1 687 . 7 1 1 A 60 60 THR N N 121 115.479 115.749 -0.270 1
1 691 . 7 1 1 A 61 61 ASN CA C 122 57.397 55.975 1.422 1
1 692 . 7 1 1 A 61 61 ASN CB C 122 39.535 38.398 1.137 1
1 693 . 7 1 1 A 61 61 ASN HA H 122 4.626 4.422 0.204 1
1 698 . 7 1 1 A 61 61 ASN H H 122 8.433 8.120 0.313 1
1 699 . 7 1 1 A 61 61 ASN N N 122 120.652 119.246 1.406 1
1 701 . 7 1 1 A 62 62 LEU CA C 123 58.804 58.493 0.311 1
1 702 . 7 1 1 A 62 62 LEU CB C 123 42.331 41.696 0.635 1
1 706 . 7 1 1 A 62 62 LEU HA H 123 4.068 4.018 0.050 1
1 710 . 7 1 1 A 62 62 LEU H H 123 8.837 8.408 0.429 1
1 711 . 7 1 1 A 62 62 LEU N N 123 121.425 117.388 4.037 1
1 718 . 7 1 1 A 63 63 ARG CA C 124 59.647 59.688 -0.041 1
1 719 . 7 1 1 A 63 63 ARG CB C 124 30.112 30.049 0.063 1
1 722 . 7 1 1 A 63 63 ARG HA H 124 4.030 3.908 0.122 1
1 727 . 7 1 1 A 63 63 ARG H H 124 7.502 8.157 -0.655 1
1 728 . 7 1 1 A 63 63 ARG N N 124 116.156 119.537 -3.381 1
1 730 . 7 1 1 A 64 64 ALA CA C 125 54.793 55.146 -0.353 1
1 731 . 7 1 1 A 64 64 ALA CB C 125 18.471 18.558 -0.087 1
1 732 . 7 1 1 A 64 64 ALA HA H 125 4.260 4.060 0.200 1
1 733 . 7 1 1 A 64 64 ALA H H 125 7.637 7.919 -0.282 1
1 734 . 7 1 1 A 64 64 ALA N N 125 121.808 121.467 0.341 1
1 738 . 7 1 1 A 65 65 ILE CA C 126 64.917 64.864 0.053 1
1 739 . 7 1 1 A 65 65 ILE CB C 126 39.599 37.742 1.857 1
1 743 . 7 1 1 A 65 65 ILE HA H 126 3.745 3.718 0.027 1
1 747 . 7 1 1 A 65 65 ILE H H 126 8.476 7.460 1.016 1
1 748 . 7 1 1 A 65 65 ILE N N 126 117.948 117.313 0.635 1
1 755 . 7 1 1 A 66 66 ILE CA C 127 64.704 64.808 -0.104 1
1 756 . 7 1 1 A 66 66 ILE CB C 127 37.188 37.694 -0.506 1
1 760 . 7 1 1 A 66 66 ILE HA H 127 3.826 3.727 0.099 1
1 764 . 7 1 1 A 66 66 ILE H H 127 8.130 8.589 -0.459 1
1 765 . 7 1 1 A 66 66 ILE N N 127 118.919 119.699 -0.780 1
1 772 . 7 1 1 A 67 67 GLY CA C 128 46.401 46.889 -0.488 1
1 773 . 7 1 1 A 67 67 GLY HA2 H 128 4.437 3.982 0.455 1
1 774 . 7 1 1 A 67 67 GLY HA3 H 128 3.925 3.982 -0.057 1
1 775 . 7 1 1 A 67 67 GLY H H 128 7.683 8.245 -0.562 1
1 776 . 7 1 1 A 67 67 GLY N N 128 104.485 109.105 -4.620 1
1 777 . 7 1 1 A 68 68 GLU CA C 129 55.446 55.216 0.230 1
1 778 . 7 1 1 A 68 68 GLU CB C 129 30.672 31.402 -0.730 1
1 780 . 7 1 1 A 68 68 GLU HA H 129 4.589 4.881 -0.292 1
1 785 . 7 1 1 A 68 68 GLU H H 129 7.111 8.184 -1.073 1
1 786 . 7 1 1 A 68 68 GLU N N 129 115.084 116.525 -1.441 1
1 787 . 7 1 1 A 69 69 MET CA C 130 55.238 54.685 0.553 1
1 788 . 7 1 1 A 69 69 MET CB C 130 36.559 36.456 0.103 1
1 791 . 7 1 1 A 69 69 MET HA H 130 4.763 4.824 -0.061 1
1 796 . 7 1 1 A 69 69 MET H H 130 8.414 8.585 -0.171 1
1 797 . 7 1 1 A 69 69 MET N N 130 121.732 121.494 0.238 1
1 801 . 7 1 1 A 70 70 GLU CA C 131 56.474 54.505 1.969 1
1 802 . 7 1 1 A 70 70 GLU CB C 131 30.686 32.403 -1.717 1
1 804 . 7 1 1 A 70 70 GLU HA H 131 4.354 4.852 -0.498 1
1 809 . 7 1 1 A 70 70 GLU H H 131 9.395 8.632 0.763 1
1 810 . 7 1 1 A 70 70 GLU N N 131 122.754 119.520 3.234 1
1 811 . 7 1 1 A 71 71 LEU CA C 132 59.955 58.229 1.726 1
1 812 . 7 1 1 A 71 71 LEU CB C 132 40.900 42.130 -1.230 1
1 816 . 7 1 1 A 71 71 LEU HA H 132 4.454 3.956 0.498 1
1 820 . 7 1 1 A 71 71 LEU H H 132 10.320 8.795 1.525 1
1 821 . 7 1 1 A 71 71 LEU N N 132 127.791 128.143 -0.352 1
1 828 . 7 1 1 A 72 72 ASP CA C 133 57.961 56.821 1.140 1
1 829 . 7 1 1 A 72 72 ASP CB C 133 40.031 40.923 -0.892 1
1 830 . 7 1 1 A 72 72 ASP HA H 133 4.452 4.503 -0.051 1
1 831 . 7 1 1 A 72 72 ASP H H 133 9.283 8.336 0.947 1
1 832 . 7 1 1 A 72 72 ASP N N 133 117.573 118.124 -0.551 1
1 834 . 7 1 1 A 73 73 GLU CA C 134 58.070 59.560 -1.490 1
1 835 . 7 1 1 A 73 73 GLU CB C 134 30.329 29.625 0.704 1
1 837 . 7 1 1 A 73 73 GLU HA H 134 4.166 4.031 0.135 1
1 842 . 7 1 1 A 73 73 GLU H H 134 7.307 8.208 -0.901 1
1 843 . 7 1 1 A 73 73 GLU N N 134 118.947 120.146 -1.199 1
1 844 . 7 1 1 A 74 74 THR CA C 135 67.017 65.611 1.406 1
1 845 . 7 1 1 A 74 74 THR CB C 135 68.224 68.051 0.173 1
1 847 . 7 1 1 A 74 74 THR HA H 135 3.966 4.051 -0.085 1
1 849 . 7 1 1 A 74 74 THR H H 135 8.334 8.419 -0.085 1
1 850 . 7 1 1 A 74 74 THR N N 135 116.702 114.147 2.555 1
1 854 . 7 1 1 A 75 75 LEU CA C 136 57.604 57.902 -0.298 1
1 855 . 7 1 1 A 75 75 LEU CB C 136 41.375 41.663 -0.288 1
1 859 . 7 1 1 A 75 75 LEU HA H 136 4.164 4.066 0.098 1
1 863 . 7 1 1 A 75 75 LEU H H 136 8.159 8.098 0.061 1
1 864 . 7 1 1 A 75 75 LEU N N 136 118.009 119.803 -1.794 1
1 871 . 7 1 1 A 76 76 SER CA C 137 58.446 58.000 0.446 1
1 872 . 7 1 1 A 76 76 SER CB C 137 63.709 63.419 0.290 1
1 873 . 7 1 1 A 76 76 SER HA H 137 4.808 4.711 0.097 1
1 876 . 7 1 1 A 76 76 SER H H 137 7.713 7.853 -0.140 1
1 877 . 7 1 1 A 76 76 SER N N 137 111.428 114.202 -2.774 1
1 878 . 7 1 1 A 77 77 GLY CA C 138 46.311 45.793 0.518 1
1 879 . 7 1 1 A 77 77 GLY HA2 H 138 4.815 4.119 0.696 1
1 880 . 7 1 1 A 77 77 GLY HA3 H 138 3.860 4.120 -0.260 1
1 881 . 7 1 1 A 77 77 GLY H H 138 7.779 7.301 0.478 1
1 882 . 7 1 1 A 77 77 GLY N N 138 112.185 108.166 4.019 1
1 883 . 7 1 1 A 78 78 ARG CA C 139 61.186 57.973 3.213 1
1 884 . 7 1 1 A 78 78 ARG CB C 139 29.871 31.320 -1.449 1
1 887 . 7 1 1 A 78 78 ARG HA H 139 3.853 4.388 -0.535 1
1 892 . 7 1 1 A 78 78 ARG H H 139 8.311 8.189 0.122 1
1 893 . 7 1 1 A 78 78 ARG N N 139 121.172 120.572 0.600 1
1 895 . 7 1 1 A 79 79 ASP CA C 140 57.533 56.953 0.580 1
1 896 . 7 1 1 A 79 79 ASP CB C 140 39.905 41.874 -1.969 1
1 897 . 7 1 1 A 79 79 ASP HA H 140 4.630 4.392 0.238 1
1 900 . 7 1 1 A 79 79 ASP H H 140 8.749 8.160 0.589 1
1 901 . 7 1 1 A 79 79 ASP N N 140 114.843 119.458 -4.615 1
1 902 . 7 1 1 A 80 80 ILE CA C 141 63.732 64.061 -0.329 1
1 903 . 7 1 1 A 80 80 ILE CB C 141 38.239 38.145 0.094 1
1 907 . 7 1 1 A 80 80 ILE HA H 141 4.070 3.948 0.122 1
1 911 . 7 1 1 A 80 80 ILE H H 141 7.565 7.370 0.195 1
1 912 . 7 1 1 A 80 80 ILE N N 141 121.986 117.241 4.745 1
1 919 . 7 1 1 A 81 81 ILE CA C 142 66.387 65.566 0.821 1
1 920 . 7 1 1 A 81 81 ILE CB C 142 38.194 37.740 0.454 1
1 924 . 7 1 1 A 81 81 ILE HA H 142 3.531 3.493 0.038 1
1 928 . 7 1 1 A 81 81 ILE H H 142 8.309 8.035 0.274 1
1 929 . 7 1 1 A 81 81 ILE N N 142 121.735 120.482 1.253 1
1 936 . 7 1 1 A 82 82 ASN CA C 143 56.121 56.068 0.053 1
1 937 . 7 1 1 A 82 82 ASN CB C 143 38.023 37.554 0.469 1
1 938 . 7 1 1 A 82 82 ASN HA H 143 4.369 4.384 -0.015 1
1 941 . 7 1 1 A 82 82 ASN H H 143 8.919 8.854 0.065 1
1 942 . 7 1 1 A 82 82 ASN N N 143 118.128 118.482 -0.354 1
1 946 . 7 1 1 A 83 83 ALA CA C 144 55.230 55.253 -0.023 1
1 947 . 7 1 1 A 83 83 ALA CB C 144 18.378 18.491 -0.113 1
1 948 . 7 1 1 A 83 83 ALA HA H 144 4.310 4.040 0.270 1
1 949 . 7 1 1 A 83 83 ALA H H 144 7.687 8.209 -0.522 1
1 950 . 7 1 1 A 83 83 ALA N N 144 122.048 121.543 0.505 1
1 954 . 7 1 1 A 84 84 ARG CA C 145 58.842 59.363 -0.521 1
1 955 . 7 1 1 A 84 84 ARG CB C 145 30.415 30.082 0.333 1
1 958 . 7 1 1 A 84 84 ARG HA H 145 4.297 3.987 0.310 1
1 963 . 7 1 1 A 84 84 ARG H H 145 8.579 7.875 0.704 1
1 964 . 7 1 1 A 84 84 ARG N N 145 119.430 118.275 1.155 1
1 966 . 7 1 1 A 85 85 LEU CA C 146 57.861 58.656 -0.795 1
1 967 . 7 1 1 A 85 85 LEU CB C 146 41.584 41.780 -0.196 1
1 971 . 7 1 1 A 85 85 LEU HA H 146 4.054 3.970 0.084 1
1 975 . 7 1 1 A 85 85 LEU H H 146 9.083 7.885 1.198 1
1 976 . 7 1 1 A 85 85 LEU N N 146 119.149 121.824 -2.675 1
1 983 . 7 1 1 A 86 86 ARG CA C 147 60.723 59.567 1.156 1
1 984 . 7 1 1 A 86 86 ARG CB C 147 29.549 29.847 -0.298 1
1 987 . 7 1 1 A 86 86 ARG HA H 147 3.774 3.996 -0.222 1
1 992 . 7 1 1 A 86 86 ARG H H 147 7.971 8.586 -0.615 1
1 993 . 7 1 1 A 86 86 ARG N N 147 118.395 119.094 -0.699 1
1 995 . 7 1 1 A 87 87 GLU CA C 148 59.392 59.017 0.375 1
1 996 . 7 1 1 A 87 87 GLU CB C 148 29.740 29.466 0.274 1
1 998 . 7 1 1 A 87 87 GLU HA H 148 4.120 4.037 0.083 1
1 1003 . 7 1 1 A 87 87 GLU H H 148 7.895 7.850 0.045 1
1 1004 . 7 1 1 A 87 87 GLU N N 148 116.934 118.812 -1.878 1
1 1005 . 7 1 1 A 88 88 GLU CA C 149 58.455 59.101 -0.646 1
1 1006 . 7 1 1 A 88 88 GLU CB C 149 29.306 29.515 -0.209 1
1 1008 . 7 1 1 A 88 88 GLU HA H 149 4.279 4.007 0.272 1
1 1013 . 7 1 1 A 88 88 GLU H H 149 8.228 8.530 -0.302 1
1 1014 . 7 1 1 A 88 88 GLU N N 149 116.458 119.440 -2.982 1
1 1015 . 7 1 1 A 89 89 LEU CA C 150 57.767 56.015 1.752 1
1 1016 . 7 1 1 A 89 89 LEU CB C 150 42.450 42.065 0.385 1
1 1020 . 7 1 1 A 89 89 LEU HA H 150 4.239 4.232 0.007 1
1 1024 . 7 1 1 A 89 89 LEU H H 150 8.401 7.974 0.427 1
1 1025 . 7 1 1 A 89 89 LEU N N 150 117.854 119.014 -1.160 1
1 1032 . 7 1 1 A 90 90 ASP CA C 151 56.503 56.466 0.037 1
1 1033 . 7 1 1 A 90 90 ASP CB C 151 42.435 40.979 1.456 1
1 1034 . 7 1 1 A 90 90 ASP HA H 151 5.034 4.501 0.533 1
1 1037 . 7 1 1 A 90 90 ASP H H 151 8.524 8.094 0.430 1
1 1038 . 7 1 1 A 90 90 ASP N N 151 118.978 119.209 -0.231 1
1 1039 . 7 1 1 A 91 91 LYS CA C 152 58.455 58.313 0.142 1
1 1040 . 7 1 1 A 91 91 LYS CB C 152 33.021 32.895 0.126 1
1 1044 . 7 1 1 A 91 91 LYS HA H 152 4.279 4.136 0.143 1
1 1049 . 7 1 1 A 91 91 LYS H H 152 7.348 7.798 -0.450 1
1 1050 . 7 1 1 A 91 91 LYS N N 152 114.172 117.173 -3.001 1
1 1053 . 7 1 1 A 92 92 ILE CA C 153 61.448 61.967 -0.519 1
1 1054 . 7 1 1 A 92 92 ILE CB C 153 39.068 37.922 1.146 1
1 1058 . 7 1 1 A 92 92 ILE HA H 153 4.427 3.853 0.574 1
1 1062 . 7 1 1 A 92 92 ILE H H 153 7.597 7.787 -0.190 1
1 1063 . 7 1 1 A 92 92 ILE N N 153 114.441 119.867 -5.426 1
1 1070 . 7 1 1 A 93 93 THR CA C 154 65.433 63.377 2.056 1
1 1071 . 7 1 1 A 93 93 THR CB C 154 67.799 69.530 -1.731 1
1 1073 . 7 1 1 A 93 93 THR HA H 154 3.879 4.101 -0.222 1
1 1075 . 7 1 1 A 93 93 THR H H 154 8.195 7.177 1.018 1
1 1076 . 7 1 1 A 93 93 THR N N 154 110.253 112.680 -2.427 1
1 1080 . 7 1 1 A 94 94 ASP CA C 155 57.822 57.120 0.702 1
1 1081 . 7 1 1 A 94 94 ASP CB C 155 41.397 41.264 0.133 1
1 1082 . 7 1 1 A 94 94 ASP HA H 155 4.514 4.375 0.139 1
1 1085 . 7 1 1 A 94 94 ASP H H 155 8.474 8.113 0.361 1
1 1086 . 7 1 1 A 94 94 ASP N N 155 124.348 121.695 2.653 1
1 1087 . 7 1 1 A 95 95 ARG CA C 156 57.783 58.998 -1.215 1
1 1088 . 7 1 1 A 95 95 ARG CB C 156 29.386 29.913 -0.527 1
1 1091 . 7 1 1 A 95 95 ARG HA H 156 4.173 4.124 0.049 1
1 1096 . 7 1 1 A 95 95 ARG H H 156 7.680 8.299 -0.619 1
1 1097 . 7 1 1 A 95 95 ARG N N 156 117.839 116.678 1.161 1
1 1099 . 7 1 1 A 96 96 TRP CB C 157 29.856 29.714 0.142 1
1 1105 . 7 1 1 A 96 96 TRP HA H 157 4.943 4.833 0.110 1
1 1112 . 7 1 1 A 96 96 TRP H H 157 7.880 7.697 0.183 1
1 1115 . 7 1 1 A 96 96 TRP N N 157 117.944 119.179 -1.235 1
1 1117 . 7 1 1 A 97 97 GLY CA C 158 46.688 46.650 0.038 1
1 1118 . 7 1 1 A 97 97 GLY HA2 H 158 4.411 4.022 0.389 1
1 1119 . 7 1 1 A 97 97 GLY HA3 H 158 4.249 4.031 0.218 1
1 1120 . 7 1 1 A 97 97 GLY H H 158 7.972 8.038 -0.066 1
1 1121 . 7 1 1 A 97 97 GLY N N 158 104.253 109.477 -5.224 1
1 1122 . 7 1 1 A 98 98 VAL CA C 159 60.417 59.214 1.203 1
1 1123 . 7 1 1 A 98 98 VAL CB C 159 36.365 35.312 1.053 1
1 1126 . 7 1 1 A 98 98 VAL HA H 159 5.012 4.917 0.095 1
1 1128 . 7 1 1 A 98 98 VAL H H 159 7.468 7.905 -0.437 1
1 1129 . 7 1 1 A 98 98 VAL N N 159 115.979 120.183 -4.204 1
1 1136 . 7 1 1 A 99 99 LYS CA C 160 53.521 54.520 -0.999 1
1 1137 . 7 1 1 A 99 99 LYS CB C 160 36.083 36.357 -0.274 1
1 1141 . 7 1 1 A 99 99 LYS HA H 160 5.053 5.401 -0.348 1
1 1148 . 7 1 1 A 99 99 LYS H H 160 9.259 8.700 0.559 1
1 1149 . 7 1 1 A 99 99 LYS N N 160 126.977 127.200 -0.223 1
1 1151 . 7 1 1 A 100 100 ILE CB C 161 35.185 37.142 -1.957 1
1 1155 . 7 1 1 A 100 100 ILE HA H 161 4.896 4.562 0.334 1
1 1159 . 7 1 1 A 100 100 ILE H H 161 9.310 9.056 0.254 1
1 1160 . 7 1 1 A 100 100 ILE N N 161 127.468 126.880 0.588 1
1 1167 . 7 1 1 A 101 101 THR CA C 162 63.075 64.302 -1.227 1
1 1168 . 7 1 1 A 101 101 THR CB C 162 67.345 69.120 -1.775 1
1 1170 . 7 1 1 A 101 101 THR HA H 162 4.254 4.262 -0.008 1
1 1172 . 7 1 1 A 101 101 THR H H 162 8.783 8.752 0.031 1
1 1173 . 7 1 1 A 101 101 THR N N 162 120.609 120.092 0.517 1
1 1177 . 7 1 1 A 102 102 ARG CA C 163 55.929 54.929 1.000 1
1 1178 . 7 1 1 A 102 102 ARG CB C 163 32.468 32.180 0.288 1
1 1181 . 7 1 1 A 102 102 ARG HA H 163 4.606 4.660 -0.054 1
1 1188 . 7 1 1 A 102 102 ARG H H 163 7.669 7.664 0.005 1
1 1189 . 7 1 1 A 102 102 ARG N N 163 118.258 118.193 0.065 1
1 1190 . 7 1 1 A 103 103 VAL CB C 164 35.090 35.413 -0.323 1
1 1193 . 7 1 1 A 103 103 VAL HA H 164 4.886 4.750 0.136 1
1 1195 . 7 1 1 A 103 103 VAL H H 164 8.700 8.343 0.357 1
1 1196 . 7 1 1 A 103 103 VAL N N 164 122.135 119.251 2.884 1
1 1203 . 7 1 1 A 104 104 GLU CA C 165 54.469 54.462 0.007 1
1 1204 . 7 1 1 A 104 104 GLU CB C 165 33.028 33.262 -0.234 1
1 1206 . 7 1 1 A 104 104 GLU HA H 165 4.835 4.941 -0.106 1
1 1209 . 7 1 1 A 104 104 GLU H H 165 9.011 8.847 0.164 1
1 1210 . 7 1 1 A 104 104 GLU N N 165 123.789 125.711 -1.922 1
1 1212 . 7 1 1 A 105 105 ILE CA C 166 61.576 59.938 1.638 1
1 1213 . 7 1 1 A 105 105 ILE CB C 166 37.908 40.246 -2.338 1
1 1217 . 7 1 1 A 105 105 ILE HA H 166 4.525 4.764 -0.239 1
1 1219 . 7 1 1 A 105 105 ILE H H 166 9.869 8.779 1.090 1
1 1220 . 7 1 1 A 105 105 ILE N N 166 130.058 124.237 5.821 1
1 1229 . 7 1 1 A 106 106 GLN CA C 167 55.964 54.447 1.517 1
1 1230 . 7 1 1 A 106 106 GLN CB C 167 28.789 30.297 -1.508 1
1 1232 . 7 1 1 A 106 106 GLN HA H 167 4.661 4.595 0.066 1
1 1239 . 7 1 1 A 106 106 GLN H H 167 8.573 8.386 0.187 1
1 1240 . 7 1 1 A 106 106 GLN N N 167 127.576 125.422 2.154 1
1 1242 . 7 1 1 A 107 107 ARG CA C 168 56.113 56.744 -0.631 1
1 1243 . 7 1 1 A 107 107 ARG CB C 168 32.098 31.092 1.006 1
1 1246 . 7 1 1 A 107 107 ARG HA H 168 4.468 4.292 0.176 1
1 1251 . 7 1 1 A 107 107 ARG H H 168 8.762 8.176 0.586 1
1 1252 . 7 1 1 A 107 107 ARG N N 168 122.725 121.848 0.877 1
1 1254 . 7 1 1 A 108 108 ILE CA C 169 61.618 59.704 1.914 1
1 1255 . 7 1 1 A 108 108 ILE CB C 169 39.583 41.586 -2.003 1
1 1259 . 7 1 1 A 108 108 ILE HA H 169 4.451 4.979 -0.528 1
1 1263 . 7 1 1 A 108 108 ILE H H 169 7.996 8.371 -0.375 1
1 1264 . 7 1 1 A 108 108 ILE N N 169 120.383 125.232 -4.849 1
1 1271 . 7 1 1 A 109 109 ASP CA C 170 51.571 50.563 1.008 1
1 1272 . 7 1 1 A 109 109 ASP CB C 170 42.763 44.366 -1.603 1
1 1273 . 7 1 1 A 109 109 ASP HA H 170 5.579 5.125 0.454 1
1 1276 . 7 1 1 A 109 109 ASP H H 170 9.067 8.802 0.265 1
1 1277 . 7 1 1 A 109 109 ASP N N 170 126.604 125.505 1.099 1
1 1278 . 7 1 1 A 110 110 PRO CA C 171 61.302 61.495 -0.193 1
1 1279 . 7 1 1 A 110 110 PRO CB C 171 30.857 31.595 -0.738 1
1 1282 . 7 1 1 A 110 110 PRO HA H 171 5.081 4.738 0.343 1
1 1288 . 7 1 1 A 111 111 PRO CA C 172 63.367 62.466 0.901 1
1 1289 . 7 1 1 A 111 111 PRO CB C 172 32.050 32.313 -0.263 1
1 1292 . 7 1 1 A 111 111 PRO HA H 172 4.568 4.840 -0.272 1
1 1298 . 7 1 1 A 112 112 LYS CA C 173 55.951 57.363 -1.412 1
1 1299 . 7 1 1 A 112 112 LYS CB C 173 33.412 32.899 0.513 1
1 1303 . 7 1 1 A 112 112 LYS HA H 173 4.465 4.213 0.252 1
1 1306 . 7 1 1 A 112 112 LYS H H 173 8.533 8.287 0.246 1
1 1307 . 7 1 1 A 112 112 LYS N N 173 122.499 121.141 1.358 1
1 1 . 8 1 1 A 2 2 SER HA H 63 4.660 4.935 -0.275 1
1 4 . 8 1 1 A 2 2 SER CB C 63 63.645 66.595 -2.950 1
1 5 . 8 1 1 A 3 3 ASP HA H 64 4.688 4.772 -0.084 1
1 8 . 8 1 1 A 3 3 ASP H H 64 8.603 8.925 -0.322 1
1 9 . 8 1 1 A 3 3 ASP CA C 64 54.354 55.778 -1.424 1
1 10 . 8 1 1 A 3 3 ASP CB C 64 40.980 42.385 -1.405 1
1 11 . 8 1 1 A 3 3 ASP N N 64 122.069 124.468 -2.399 1
1 12 . 8 1 1 A 4 4 HIS HA H 65 4.735 4.839 -0.104 1
1 17 . 8 1 1 A 4 4 HIS H H 65 8.354 8.086 0.268 1
1 18 . 8 1 1 A 4 4 HIS CA C 65 56.220 55.492 0.728 1
1 19 . 8 1 1 A 4 4 HIS CB C 65 30.570 29.537 1.033 1
1 22 . 8 1 1 A 4 4 HIS N N 65 119.219 117.284 1.935 1
1 29 . 8 1 1 A 5 5 VAL HA H 66 4.183 4.975 -0.792 1
1 31 . 8 1 1 A 5 5 VAL H H 66 8.073 8.936 -0.863 1
1 32 . 8 1 1 A 5 5 VAL CA C 66 62.127 58.928 3.199 1
1 33 . 8 1 1 A 5 5 VAL CB C 66 32.960 36.114 -3.154 1
1 36 . 8 1 1 A 5 5 VAL N N 66 121.775 117.714 4.061 1
1 37 . 8 1 1 A 6 6 ASP CA C 67 53.727 53.152 0.575 1
1 38 . 8 1 1 A 6 6 ASP CB C 67 41.472 41.717 -0.245 1
1 39 . 8 1 1 A 6 6 ASP HA H 67 4.771 5.051 -0.280 1
1 42 . 8 1 1 A 6 6 ASP H H 67 8.615 8.632 -0.017 1
1 43 . 8 1 1 A 6 6 ASP N N 67 124.725 120.235 4.490 1
1 44 . 8 1 1 A 7 7 LEU CA C 68 54.586 56.079 -1.493 1
1 45 . 8 1 1 A 7 7 LEU CB C 68 41.657 40.124 1.533 1
1 49 . 8 1 1 A 7 7 LEU HA H 68 4.556 3.773 0.783 1
1 53 . 8 1 1 A 7 7 LEU H H 68 8.441 7.929 0.512 1
1 54 . 8 1 1 A 7 7 LEU N N 68 123.747 116.365 7.382 1
1 61 . 8 1 1 A 8 8 ARG CA C 69 56.247 56.685 -0.438 1
1 62 . 8 1 1 A 8 8 ARG CB C 69 30.828 30.528 0.300 1
1 65 . 8 1 1 A 8 8 ARG HA H 69 4.253 4.034 0.219 1
1 70 . 8 1 1 A 8 8 ARG H H 69 8.209 7.754 0.455 1
1 71 . 8 1 1 A 8 8 ARG N N 69 121.063 118.564 2.499 1
1 73 . 8 1 1 A 9 9 GLU CA C 70 55.691 55.918 -0.227 1
1 74 . 8 1 1 A 9 9 GLU CB C 70 31.777 30.122 1.655 1
1 76 . 8 1 1 A 9 9 GLU HA H 70 4.655 4.014 0.641 1
1 79 . 8 1 1 A 9 9 GLU H H 70 8.338 8.218 0.120 1
1 80 . 8 1 1 A 9 9 GLU N N 70 121.677 124.367 -2.690 1
1 82 . 8 1 1 A 10 10 HIS CA C 71 54.619 53.941 0.678 1
1 83 . 8 1 1 A 10 10 HIS CB C 71 32.189 32.628 -0.439 1
1 86 . 8 1 1 A 10 10 HIS HA H 71 4.716 4.954 -0.238 1
1 91 . 8 1 1 A 10 10 HIS H H 71 9.043 8.489 0.554 1
1 92 . 8 1 1 A 10 10 HIS N N 71 125.575 119.281 6.294 1
1 93 . 8 1 1 A 11 11 VAL CA C 72 60.567 60.022 0.545 1
1 94 . 8 1 1 A 11 11 VAL CB C 72 35.380 33.549 1.831 1
1 97 . 8 1 1 A 11 11 VAL HA H 72 4.951 4.715 0.236 1
1 99 . 8 1 1 A 11 11 VAL H H 72 8.218 8.618 -0.400 1
1 100 . 8 1 1 A 11 11 VAL N N 72 117.348 116.187 1.161 1
1 107 . 8 1 1 A 12 12 ILE CA C 73 59.857 60.254 -0.397 1
1 108 . 8 1 1 A 12 12 ILE CB C 73 41.969 40.472 1.497 1
1 112 . 8 1 1 A 12 12 ILE HA H 73 4.464 4.826 -0.362 1
1 116 . 8 1 1 A 12 12 ILE H H 73 9.272 8.820 0.452 1
1 117 . 8 1 1 A 12 12 ILE N N 73 126.908 122.384 4.524 1
1 124 . 8 1 1 A 13 13 ASP CB C 74 41.534 41.364 0.170 1
1 125 . 8 1 1 A 13 13 ASP HA H 74 4.885 5.054 -0.169 1
1 128 . 8 1 1 A 13 13 ASP H H 74 8.501 8.797 -0.296 1
1 129 . 8 1 1 A 13 13 ASP N N 74 126.253 128.754 -2.501 1
1 130 . 8 1 1 A 14 14 VAL CA C 75 59.550 58.527 1.023 1
1 131 . 8 1 1 A 14 14 VAL CB C 75 32.270 34.862 -2.592 1
1 134 . 8 1 1 A 14 14 VAL HA H 75 4.491 4.468 0.023 1
1 136 . 8 1 1 A 14 14 VAL H H 75 8.758 8.445 0.313 1
1 137 . 8 1 1 A 14 14 VAL N N 75 124.997 124.286 0.711 1
1 144 . 8 1 1 A 15 15 PRO CB C 76 30.981 31.571 -0.590 1
1 147 . 8 1 1 A 15 15 PRO HA H 76 4.837 4.741 0.096 1
1 153 . 8 1 1 A 16 16 PRO CB C 77 32.267 33.138 -0.871 1
1 156 . 8 1 1 A 16 16 PRO HA H 77 4.881 4.998 -0.117 1
1 162 . 8 1 1 A 17 17 GLN CA C 78 53.332 55.184 -1.852 1
1 163 . 8 1 1 A 17 17 GLN CB C 78 33.352 31.955 1.397 1
1 165 . 8 1 1 A 17 17 GLN HA H 78 4.768 4.563 0.205 1
1 170 . 8 1 1 A 17 17 GLN H H 78 8.612 8.503 0.109 1
1 171 . 8 1 1 A 17 17 GLN N N 78 119.550 121.206 -1.656 1
1 175 . 8 1 1 A 18 18 GLU CA C 79 55.955 56.326 -0.371 1
1 176 . 8 1 1 A 18 18 GLU CB C 79 30.087 30.229 -0.142 1
1 178 . 8 1 1 A 18 18 GLU HA H 79 5.070 4.716 0.354 1
1 183 . 8 1 1 A 18 18 GLU H H 79 8.626 8.743 -0.117 1
1 184 . 8 1 1 A 18 18 GLU N N 79 123.226 126.799 -3.573 1
1 185 . 8 1 1 A 19 19 VAL CA C 80 60.191 59.137 1.054 1
1 186 . 8 1 1 A 19 19 VAL CB C 80 34.901 35.186 -0.285 1
1 189 . 8 1 1 A 19 19 VAL HA H 80 4.562 4.837 -0.275 1
1 191 . 8 1 1 A 19 19 VAL H H 80 9.568 8.330 1.238 1
1 192 . 8 1 1 A 19 19 VAL N N 80 123.365 117.919 5.446 1
1 199 . 8 1 1 A 20 20 ILE CA C 81 60.810 61.430 -0.620 1
1 200 . 8 1 1 A 20 20 ILE CB C 81 39.198 37.277 1.921 1
1 204 . 8 1 1 A 20 20 ILE HA H 81 4.678 4.066 0.612 1
1 208 . 8 1 1 A 20 20 ILE H H 81 8.048 8.676 -0.628 1
1 209 . 8 1 1 A 20 20 ILE N N 81 122.564 124.671 -2.107 1
1 216 . 8 1 1 A 21 21 CYS CB C 82 29.386 28.760 0.626 1
1 217 . 8 1 1 A 21 21 CYS HA H 82 4.932 4.468 0.464 1
1 220 . 8 1 1 A 21 21 CYS H H 82 8.796 8.662 0.134 1
1 221 . 8 1 1 A 21 21 CYS N N 82 125.960 126.668 -0.708 1
1 222 . 8 1 1 A 22 22 LYS CA C 83 59.330 59.387 -0.057 1
1 223 . 8 1 1 A 22 22 LYS CB C 83 33.478 32.395 1.083 1
1 227 . 8 1 1 A 22 22 LYS HA H 83 4.096 4.037 0.059 1
1 234 . 8 1 1 A 22 22 LYS H H 83 8.735 8.622 0.113 1
1 235 . 8 1 1 A 22 22 LYS N N 83 123.785 124.775 -0.990 1
1 237 . 8 1 1 A 23 23 ASP CA C 84 53.011 53.076 -0.065 1
1 238 . 8 1 1 A 23 23 ASP CB C 84 38.642 40.668 -2.026 1
1 239 . 8 1 1 A 23 23 ASP HA H 84 4.694 4.751 -0.057 1
1 242 . 8 1 1 A 23 23 ASP H H 84 8.667 7.681 0.986 1
1 243 . 8 1 1 A 23 23 ASP N N 84 112.676 117.923 -5.247 1
1 244 . 8 1 1 A 24 24 ASN CA C 85 54.989 54.506 0.483 1
1 245 . 8 1 1 A 24 24 ASN CB C 85 36.698 36.670 0.028 1
1 246 . 8 1 1 A 24 24 ASN HA H 85 4.321 4.246 0.075 1
1 251 . 8 1 1 A 24 24 ASN H H 85 8.264 7.983 0.281 1
1 252 . 8 1 1 A 24 24 ASN N N 85 112.321 113.706 -1.385 1
1 254 . 8 1 1 A 25 25 VAL CA C 86 61.920 61.451 0.469 1
1 255 . 8 1 1 A 25 25 VAL CB C 86 33.581 32.415 1.166 1
1 258 . 8 1 1 A 25 25 VAL HA H 86 4.247 4.291 -0.044 1
1 260 . 8 1 1 A 25 25 VAL H H 86 6.817 7.708 -0.891 1
1 261 . 8 1 1 A 25 25 VAL N N 86 117.663 119.333 -1.670 1
1 268 . 8 1 1 A 26 26 VAL CA C 87 62.127 63.232 -1.105 1
1 269 . 8 1 1 A 26 26 VAL CB C 87 32.468 31.200 1.268 1
1 272 . 8 1 1 A 26 26 VAL HA H 87 4.710 4.233 0.477 1
1 274 . 8 1 1 A 26 26 VAL H H 87 8.467 8.684 -0.217 1
1 275 . 8 1 1 A 26 26 VAL N N 87 128.149 128.048 0.101 1
1 282 . 8 1 1 A 27 27 VAL CA C 88 58.409 59.146 -0.737 1
1 283 . 8 1 1 A 27 27 VAL CB C 88 34.991 35.895 -0.904 1
1 286 . 8 1 1 A 27 27 VAL HA H 88 4.995 4.901 0.094 1
1 288 . 8 1 1 A 27 27 VAL H H 88 8.983 8.309 0.674 1
1 289 . 8 1 1 A 27 27 VAL N N 88 119.421 121.118 -1.697 1
1 296 . 8 1 1 A 28 28 THR CA C 89 62.180 62.060 0.120 1
1 297 . 8 1 1 A 28 28 THR CB C 89 69.351 70.064 -0.713 1
1 299 . 8 1 1 A 28 28 THR HA H 89 5.249 4.976 0.273 1
1 301 . 8 1 1 A 28 28 THR H H 89 8.544 8.758 -0.214 1
1 302 . 8 1 1 A 28 28 THR N N 89 118.810 119.325 -0.515 1
1 306 . 8 1 1 A 29 29 VAL CA C 90 58.826 58.996 -0.170 1
1 307 . 8 1 1 A 29 29 VAL CB C 90 36.035 35.607 0.428 1
1 310 . 8 1 1 A 29 29 VAL HA H 90 5.527 5.116 0.411 1
1 312 . 8 1 1 A 29 29 VAL H H 90 8.818 9.115 -0.297 1
1 313 . 8 1 1 A 29 29 VAL N N 90 123.670 121.510 2.160 1
1 320 . 8 1 1 A 30 30 ASP CA C 91 52.821 53.019 -0.198 1
1 321 . 8 1 1 A 30 30 ASP CB C 91 42.960 44.944 -1.984 1
1 322 . 8 1 1 A 30 30 ASP HA H 91 4.785 5.431 -0.646 1
1 325 . 8 1 1 A 30 30 ASP H H 91 8.478 8.840 -0.362 1
1 326 . 8 1 1 A 30 30 ASP N N 91 125.411 120.370 5.041 1
1 327 . 8 1 1 A 31 31 ALA CA C 92 51.718 51.288 0.430 1
1 328 . 8 1 1 A 31 31 ALA CB C 92 22.216 23.580 -1.364 1
1 329 . 8 1 1 A 31 31 ALA HA H 92 5.268 5.000 0.268 1
1 330 . 8 1 1 A 31 31 ALA H H 92 8.075 8.328 -0.253 1
1 331 . 8 1 1 A 31 31 ALA N N 92 116.806 120.905 -4.099 1
1 335 . 8 1 1 A 32 32 VAL CB C 93 34.772 34.436 0.336 1
1 338 . 8 1 1 A 32 32 VAL HA H 93 4.901 5.076 -0.175 1
1 340 . 8 1 1 A 32 32 VAL H H 93 8.306 8.649 -0.343 1
1 341 . 8 1 1 A 32 32 VAL N N 93 117.482 115.255 2.227 1
1 348 . 8 1 1 A 33 33 VAL CA C 94 61.058 61.187 -0.129 1
1 349 . 8 1 1 A 33 33 VAL CB C 94 34.773 35.377 -0.604 1
1 352 . 8 1 1 A 33 33 VAL HA H 94 4.515 4.882 -0.367 1
1 354 . 8 1 1 A 33 33 VAL H H 94 8.873 8.659 0.214 1
1 355 . 8 1 1 A 33 33 VAL N N 94 124.653 121.307 3.346 1
1 362 . 8 1 1 A 34 34 TYR CA C 95 56.333 57.732 -1.399 1
1 363 . 8 1 1 A 34 34 TYR CB C 95 40.336 40.900 -0.564 1
1 366 . 8 1 1 A 34 34 TYR HA H 95 5.834 5.620 0.214 1
1 371 . 8 1 1 A 34 34 TYR H H 95 8.989 8.772 0.217 1
1 372 . 8 1 1 A 34 34 TYR N N 95 126.081 127.125 -1.044 1
1 375 . 8 1 1 A 35 35 TYR CA C 96 55.679 56.439 -0.760 1
1 376 . 8 1 1 A 35 35 TYR CB C 96 42.824 40.800 2.024 1
1 379 . 8 1 1 A 35 35 TYR HA H 96 6.097 5.538 0.559 1
1 384 . 8 1 1 A 35 35 TYR H H 96 9.102 8.357 0.745 1
1 385 . 8 1 1 A 35 35 TYR N N 96 117.188 118.843 -1.655 1
1 388 . 8 1 1 A 36 36 GLN CB C 97 33.643 31.520 2.123 1
1 390 . 8 1 1 A 36 36 GLN HA H 97 4.942 4.870 0.072 1
1 395 . 8 1 1 A 36 36 GLN H H 97 9.441 8.338 1.103 1
1 396 . 8 1 1 A 36 36 GLN N N 97 118.000 119.258 -1.258 1
1 399 . 8 1 1 A 37 37 VAL CA C 98 63.621 63.328 0.293 1
1 400 . 8 1 1 A 37 37 VAL CB C 98 31.380 30.824 0.556 1
1 403 . 8 1 1 A 37 37 VAL HA H 98 4.286 4.050 0.236 1
1 405 . 8 1 1 A 37 37 VAL H H 98 9.692 8.997 0.695 1
1 406 . 8 1 1 A 37 37 VAL N N 98 126.436 124.405 2.031 1
1 413 . 8 1 1 A 38 38 ILE CA C 99 61.011 62.784 -1.773 1
1 414 . 8 1 1 A 38 38 ILE CB C 99 38.943 38.158 0.785 1
1 418 . 8 1 1 A 38 38 ILE HA H 99 4.514 4.101 0.413 1
1 422 . 8 1 1 A 38 38 ILE H H 99 8.540 8.161 0.379 1
1 423 . 8 1 1 A 38 38 ILE N N 99 123.480 124.053 -0.573 1
1 430 . 8 1 1 A 39 39 ASP CA C 100 50.850 51.125 -0.275 1
1 431 . 8 1 1 A 39 39 ASP CB C 100 41.979 41.933 0.046 1
1 432 . 8 1 1 A 39 39 ASP HA H 100 5.326 4.997 0.329 1
1 435 . 8 1 1 A 39 39 ASP H H 100 8.135 7.395 0.740 1
1 436 . 8 1 1 A 39 39 ASP N N 100 119.056 121.797 -2.741 1
1 437 . 8 1 1 A 40 40 PRO CA C 101 64.279 64.234 0.045 1
1 438 . 8 1 1 A 40 40 PRO CB C 101 32.510 31.914 0.596 1
1 441 . 8 1 1 A 40 40 PRO HA H 101 4.299 4.321 -0.022 1
1 448 . 8 1 1 A 41 41 VAL CA C 102 65.120 65.375 -0.255 1
1 449 . 8 1 1 A 41 41 VAL CB C 102 31.406 31.459 -0.053 1
1 452 . 8 1 1 A 41 41 VAL HA H 102 3.886 3.814 0.072 1
1 454 . 8 1 1 A 41 41 VAL H H 102 7.936 7.464 0.472 1
1 455 . 8 1 1 A 41 41 VAL N N 102 118.168 116.416 1.752 1
1 462 . 8 1 1 A 42 42 LYS CA C 103 57.852 57.090 0.762 1
1 463 . 8 1 1 A 42 42 LYS CB C 103 33.597 33.594 0.003 1
1 467 . 8 1 1 A 42 42 LYS HA H 103 4.242 4.491 -0.249 1
1 472 . 8 1 1 A 42 42 LYS H H 103 7.240 7.622 -0.382 1
1 473 . 8 1 1 A 42 42 LYS N N 103 118.280 120.428 -2.148 1
1 476 . 8 1 1 A 43 43 ALA CA C 104 53.615 52.039 1.576 1
1 477 . 8 1 1 A 43 43 ALA CB C 104 18.578 18.542 0.036 1
1 478 . 8 1 1 A 43 43 ALA HA H 104 4.632 3.867 0.765 1
1 479 . 8 1 1 A 43 43 ALA H H 104 7.702 7.697 0.005 1
1 480 . 8 1 1 A 43 43 ALA N N 104 122.122 119.536 2.586 1
1 484 . 8 1 1 A 44 44 VAL CA C 105 62.530 63.997 -1.467 1
1 485 . 8 1 1 A 44 44 VAL CB C 105 31.680 31.485 0.195 1
1 488 . 8 1 1 A 44 44 VAL HA H 105 4.197 3.885 0.312 1
1 490 . 8 1 1 A 44 44 VAL H H 105 7.682 7.896 -0.214 1
1 491 . 8 1 1 A 44 44 VAL N N 105 115.037 117.257 -2.220 1
1 498 . 8 1 1 A 45 45 TYR CA C 106 57.222 57.752 -0.530 1
1 499 . 8 1 1 A 45 45 TYR CB C 106 38.651 37.905 0.746 1
1 502 . 8 1 1 A 45 45 TYR HA H 106 4.652 4.538 0.114 1
1 505 . 8 1 1 A 45 45 TYR H H 106 7.436 7.471 -0.035 1
1 506 . 8 1 1 A 45 45 TYR N N 106 118.804 121.305 -2.501 1
1 510 . 8 1 1 A 46 46 ASN CB C 107 39.028 36.738 2.290 1
1 511 . 8 1 1 A 46 46 ASN HA H 107 4.959 4.314 0.645 1
1 516 . 8 1 1 A 46 46 ASN H H 107 8.614 8.068 0.546 1
1 517 . 8 1 1 A 46 46 ASN N N 107 118.495 113.855 4.640 1
1 519 . 8 1 1 A 47 47 VAL CA C 108 65.178 63.109 2.069 1
1 520 . 8 1 1 A 47 47 VAL CB C 108 32.022 30.338 1.684 1
1 523 . 8 1 1 A 47 47 VAL HA H 108 3.952 3.636 0.316 1
1 525 . 8 1 1 A 47 47 VAL H H 108 8.342 7.395 0.947 1
1 526 . 8 1 1 A 47 47 VAL N N 108 123.377 117.833 5.544 1
1 533 . 8 1 1 A 48 48 SER CA C 109 61.473 61.269 0.204 1
1 534 . 8 1 1 A 48 48 SER CB C 109 62.248 63.506 -1.258 1
1 535 . 8 1 1 A 48 48 SER HA H 109 4.298 4.433 -0.135 1
1 536 . 8 1 1 A 48 48 SER H H 109 8.353 7.968 0.385 1
1 537 . 8 1 1 A 48 48 SER N N 109 116.439 117.300 -0.861 1
1 539 . 8 1 1 A 49 49 ASP CA C 110 56.211 57.203 -0.992 1
1 540 . 8 1 1 A 49 49 ASP CB C 110 40.691 39.999 0.692 1
1 541 . 8 1 1 A 49 49 ASP HA H 110 4.534 4.133 0.401 1
1 542 . 8 1 1 A 49 49 ASP H H 110 7.832 8.293 -0.461 1
1 543 . 8 1 1 A 49 49 ASP N N 110 121.141 121.885 -0.744 1
1 545 . 8 1 1 A 50 50 PHE CA C 111 60.009 61.278 -1.269 1
1 546 . 8 1 1 A 50 50 PHE CB C 111 38.598 39.476 -0.878 1
1 550 . 8 1 1 A 50 50 PHE HA H 111 3.486 4.003 -0.517 1
1 555 . 8 1 1 A 50 50 PHE H H 111 8.044 8.086 -0.042 1
1 557 . 8 1 1 A 50 50 PHE N N 111 122.621 121.743 0.878 1
1 560 . 8 1 1 A 51 51 LEU CA C 112 58.009 58.152 -0.143 1
1 561 . 8 1 1 A 51 51 LEU CB C 112 41.213 41.698 -0.485 1
1 565 . 8 1 1 A 51 51 LEU HA H 112 3.546 3.536 0.010 1
1 569 . 8 1 1 A 51 51 LEU H H 112 8.046 8.214 -0.168 1
1 570 . 8 1 1 A 51 51 LEU N N 112 119.691 120.656 -0.965 1
1 577 . 8 1 1 A 52 52 MET CA C 113 57.696 58.047 -0.351 1
1 578 . 8 1 1 A 52 52 MET CB C 113 32.289 32.129 0.160 1
1 581 . 8 1 1 A 52 52 MET HA H 113 4.231 4.143 0.088 1
1 586 . 8 1 1 A 52 52 MET H H 113 7.563 8.383 -0.820 1
1 587 . 8 1 1 A 52 52 MET N N 113 115.770 116.894 -1.124 1
1 591 . 8 1 1 A 53 53 ALA CA C 114 54.815 55.068 -0.253 1
1 592 . 8 1 1 A 53 53 ALA CB C 114 18.369 18.948 -0.579 1
1 593 . 8 1 1 A 53 53 ALA HA H 114 4.199 4.027 0.172 1
1 594 . 8 1 1 A 53 53 ALA H H 114 7.878 7.871 0.007 1
1 595 . 8 1 1 A 53 53 ALA N N 114 121.804 122.396 -0.592 1
1 599 . 8 1 1 A 54 54 ILE CA C 115 63.259 64.919 -1.660 1
1 600 . 8 1 1 A 54 54 ILE CB C 115 36.127 37.444 -1.317 1
1 604 . 8 1 1 A 54 54 ILE HA H 115 3.767 3.626 0.141 1
1 608 . 8 1 1 A 54 54 ILE H H 115 8.202 8.181 0.021 1
1 609 . 8 1 1 A 54 54 ILE N N 115 118.054 117.741 0.313 1
1 616 . 8 1 1 A 55 55 VAL CA C 116 68.036 66.705 1.331 1
1 617 . 8 1 1 A 55 55 VAL CB C 116 31.463 31.555 -0.092 1
1 620 . 8 1 1 A 55 55 VAL HA H 116 3.509 3.614 -0.105 1
1 622 . 8 1 1 A 55 55 VAL H H 116 7.961 7.502 0.459 1
1 623 . 8 1 1 A 55 55 VAL N N 116 121.095 119.856 1.239 1
1 630 . 8 1 1 A 56 56 LYS CA C 117 59.077 59.027 0.050 1
1 631 . 8 1 1 A 56 56 LYS CB C 117 31.997 32.597 -0.600 1
1 635 . 8 1 1 A 56 56 LYS HA H 117 4.297 4.139 0.158 1
1 638 . 8 1 1 A 56 56 LYS H H 117 8.000 7.863 0.137 1
1 639 . 8 1 1 A 56 56 LYS N N 117 118.806 118.844 -0.038 1
1 643 . 8 1 1 A 57 57 LEU CA C 118 57.515 58.045 -0.530 1
1 644 . 8 1 1 A 57 57 LEU CB C 118 42.727 41.518 1.209 1
1 648 . 8 1 1 A 57 57 LEU HA H 118 4.286 3.997 0.289 1
1 652 . 8 1 1 A 57 57 LEU H H 118 8.390 8.580 -0.190 1
1 653 . 8 1 1 A 57 57 LEU N N 118 120.738 120.329 0.409 1
1 660 . 8 1 1 A 58 58 ALA CA C 119 55.695 55.547 0.148 1
1 661 . 8 1 1 A 58 58 ALA CB C 119 17.984 18.338 -0.354 1
1 662 . 8 1 1 A 58 58 ALA HA H 119 4.131 3.979 0.152 1
1 663 . 8 1 1 A 58 58 ALA H H 119 9.213 8.796 0.417 1
1 664 . 8 1 1 A 58 58 ALA N N 119 123.641 121.044 2.597 1
1 668 . 8 1 1 A 59 59 GLN CA C 120 60.234 59.137 1.097 1
1 669 . 8 1 1 A 59 59 GLN CB C 120 28.353 28.368 -0.015 1
1 671 . 8 1 1 A 59 59 GLN HA H 120 3.972 4.028 -0.056 1
1 678 . 8 1 1 A 59 59 GLN H H 120 8.649 7.959 0.690 1
1 679 . 8 1 1 A 59 59 GLN N N 120 116.453 117.658 -1.205 1
1 681 . 8 1 1 A 60 60 THR CA C 121 66.360 66.872 -0.512 1
1 682 . 8 1 1 A 60 60 THR CB C 121 68.868 68.949 -0.081 1
1 684 . 8 1 1 A 60 60 THR HA H 121 4.076 3.945 0.131 1
1 686 . 8 1 1 A 60 60 THR H H 121 8.566 7.602 0.964 1
1 687 . 8 1 1 A 60 60 THR N N 121 115.479 117.687 -2.208 1
1 691 . 8 1 1 A 61 61 ASN CA C 122 57.397 56.209 1.188 1
1 692 . 8 1 1 A 61 61 ASN CB C 122 39.535 38.283 1.252 1
1 693 . 8 1 1 A 61 61 ASN HA H 122 4.626 4.358 0.268 1
1 698 . 8 1 1 A 61 61 ASN H H 122 8.433 8.414 0.019 1
1 699 . 8 1 1 A 61 61 ASN N N 122 120.652 118.902 1.750 1
1 701 . 8 1 1 A 62 62 LEU CA C 123 58.804 58.508 0.296 1
1 702 . 8 1 1 A 62 62 LEU CB C 123 42.331 41.721 0.610 1
1 706 . 8 1 1 A 62 62 LEU HA H 123 4.068 4.009 0.059 1
1 710 . 8 1 1 A 62 62 LEU H H 123 8.837 8.424 0.413 1
1 711 . 8 1 1 A 62 62 LEU N N 123 121.425 117.643 3.782 1
1 718 . 8 1 1 A 63 63 ARG CA C 124 59.647 59.654 -0.007 1
1 719 . 8 1 1 A 63 63 ARG CB C 124 30.112 29.987 0.125 1
1 722 . 8 1 1 A 63 63 ARG HA H 124 4.030 3.914 0.116 1
1 727 . 8 1 1 A 63 63 ARG H H 124 7.502 7.849 -0.347 1
1 728 . 8 1 1 A 63 63 ARG N N 124 116.156 119.530 -3.374 1
1 730 . 8 1 1 A 64 64 ALA CA C 125 54.793 55.117 -0.324 1
1 731 . 8 1 1 A 64 64 ALA CB C 125 18.471 18.684 -0.213 1
1 732 . 8 1 1 A 64 64 ALA HA H 125 4.260 4.067 0.193 1
1 733 . 8 1 1 A 64 64 ALA H H 125 7.637 7.803 -0.166 1
1 734 . 8 1 1 A 64 64 ALA N N 125 121.808 121.828 -0.020 1
1 738 . 8 1 1 A 65 65 ILE CA C 126 64.917 64.813 0.104 1
1 739 . 8 1 1 A 65 65 ILE CB C 126 39.599 37.881 1.718 1
1 743 . 8 1 1 A 65 65 ILE HA H 126 3.745 3.745 0.000 1
1 747 . 8 1 1 A 65 65 ILE H H 126 8.476 7.393 1.083 1
1 748 . 8 1 1 A 65 65 ILE N N 126 117.948 117.717 0.231 1
1 755 . 8 1 1 A 66 66 ILE CA C 127 64.704 64.826 -0.122 1
1 756 . 8 1 1 A 66 66 ILE CB C 127 37.188 37.618 -0.430 1
1 760 . 8 1 1 A 66 66 ILE HA H 127 3.826 3.747 0.079 1
1 764 . 8 1 1 A 66 66 ILE H H 127 8.130 8.614 -0.484 1
1 765 . 8 1 1 A 66 66 ILE N N 127 118.919 119.604 -0.685 1
1 772 . 8 1 1 A 67 67 GLY CA C 128 46.401 46.784 -0.383 1
1 773 . 8 1 1 A 67 67 GLY HA2 H 128 4.437 3.979 0.458 1
1 774 . 8 1 1 A 67 67 GLY HA3 H 128 3.925 3.979 -0.054 1
1 775 . 8 1 1 A 67 67 GLY H H 128 7.683 7.959 -0.276 1
1 776 . 8 1 1 A 67 67 GLY N N 128 104.485 109.236 -4.751 1
1 777 . 8 1 1 A 68 68 GLU CA C 129 55.446 55.115 0.331 1
1 778 . 8 1 1 A 68 68 GLU CB C 129 30.672 31.382 -0.710 1
1 780 . 8 1 1 A 68 68 GLU HA H 129 4.589 4.883 -0.294 1
1 785 . 8 1 1 A 68 68 GLU H H 129 7.111 8.326 -1.215 1
1 786 . 8 1 1 A 68 68 GLU N N 129 115.084 116.594 -1.510 1
1 787 . 8 1 1 A 69 69 MET CA C 130 55.238 54.683 0.555 1
1 788 . 8 1 1 A 69 69 MET CB C 130 36.559 36.455 0.104 1
1 791 . 8 1 1 A 69 69 MET HA H 130 4.763 4.824 -0.061 1
1 796 . 8 1 1 A 69 69 MET H H 130 8.414 8.606 -0.192 1
1 797 . 8 1 1 A 69 69 MET N N 130 121.732 121.495 0.237 1
1 801 . 8 1 1 A 70 70 GLU CA C 131 56.474 54.451 2.023 1
1 802 . 8 1 1 A 70 70 GLU CB C 131 30.686 32.394 -1.708 1
1 804 . 8 1 1 A 70 70 GLU HA H 131 4.354 4.818 -0.464 1
1 809 . 8 1 1 A 70 70 GLU H H 131 9.395 8.601 0.794 1
1 810 . 8 1 1 A 70 70 GLU N N 131 122.754 119.518 3.236 1
1 811 . 8 1 1 A 71 71 LEU CA C 132 59.955 58.236 1.719 1
1 812 . 8 1 1 A 71 71 LEU CB C 132 40.900 41.988 -1.088 1
1 816 . 8 1 1 A 71 71 LEU HA H 132 4.454 3.968 0.486 1
1 820 . 8 1 1 A 71 71 LEU H H 132 10.320 8.786 1.534 1
1 821 . 8 1 1 A 71 71 LEU N N 132 127.791 127.878 -0.087 1
1 828 . 8 1 1 A 72 72 ASP CA C 133 57.961 56.819 1.142 1
1 829 . 8 1 1 A 72 72 ASP CB C 133 40.031 41.410 -1.379 1
1 830 . 8 1 1 A 72 72 ASP HA H 133 4.452 4.475 -0.023 1
1 831 . 8 1 1 A 72 72 ASP H H 133 9.283 7.921 1.362 1
1 832 . 8 1 1 A 72 72 ASP N N 133 117.573 118.657 -1.084 1
1 834 . 8 1 1 A 73 73 GLU CA C 134 58.070 59.443 -1.373 1
1 835 . 8 1 1 A 73 73 GLU CB C 134 30.329 29.388 0.941 1
1 837 . 8 1 1 A 73 73 GLU HA H 134 4.166 4.239 -0.073 1
1 842 . 8 1 1 A 73 73 GLU H H 134 7.307 8.060 -0.753 1
1 843 . 8 1 1 A 73 73 GLU N N 134 118.947 118.218 0.729 1
1 844 . 8 1 1 A 74 74 THR CA C 135 67.017 65.467 1.550 1
1 845 . 8 1 1 A 74 74 THR CB C 135 68.224 67.870 0.354 1
1 847 . 8 1 1 A 74 74 THR HA H 135 3.966 4.054 -0.088 1
1 849 . 8 1 1 A 74 74 THR H H 135 8.334 8.333 0.001 1
1 850 . 8 1 1 A 74 74 THR N N 135 116.702 113.305 3.397 1
1 854 . 8 1 1 A 75 75 LEU CA C 136 57.604 57.923 -0.319 1
1 855 . 8 1 1 A 75 75 LEU CB C 136 41.375 41.524 -0.149 1
1 859 . 8 1 1 A 75 75 LEU HA H 136 4.164 4.063 0.101 1
1 863 . 8 1 1 A 75 75 LEU H H 136 8.159 8.074 0.085 1
1 864 . 8 1 1 A 75 75 LEU N N 136 118.009 119.476 -1.467 1
1 871 . 8 1 1 A 76 76 SER CA C 137 58.446 57.365 1.081 1
1 872 . 8 1 1 A 76 76 SER CB C 137 63.709 63.235 0.474 1
1 873 . 8 1 1 A 76 76 SER HA H 137 4.808 4.558 0.250 1
1 876 . 8 1 1 A 76 76 SER H H 137 7.713 8.095 -0.382 1
1 877 . 8 1 1 A 76 76 SER N N 137 111.428 111.372 0.056 1
1 878 . 8 1 1 A 77 77 GLY CA C 138 46.311 45.739 0.572 1
1 879 . 8 1 1 A 77 77 GLY HA2 H 138 4.815 4.134 0.681 1
1 880 . 8 1 1 A 77 77 GLY HA3 H 138 3.860 4.135 -0.275 1
1 881 . 8 1 1 A 77 77 GLY H H 138 7.779 7.035 0.744 1
1 882 . 8 1 1 A 77 77 GLY N N 138 112.185 109.364 2.821 1
1 883 . 8 1 1 A 78 78 ARG CA C 139 61.186 58.582 2.604 1
1 884 . 8 1 1 A 78 78 ARG CB C 139 29.871 30.286 -0.415 1
1 887 . 8 1 1 A 78 78 ARG HA H 139 3.853 4.249 -0.396 1
1 892 . 8 1 1 A 78 78 ARG H H 139 8.311 8.370 -0.059 1
1 893 . 8 1 1 A 78 78 ARG N N 139 121.172 120.500 0.672 1
1 895 . 8 1 1 A 79 79 ASP CA C 140 57.533 57.075 0.458 1
1 896 . 8 1 1 A 79 79 ASP CB C 140 39.905 40.740 -0.835 1
1 897 . 8 1 1 A 79 79 ASP HA H 140 4.630 4.449 0.181 1
1 900 . 8 1 1 A 79 79 ASP H H 140 8.749 7.926 0.823 1
1 901 . 8 1 1 A 79 79 ASP N N 140 114.843 119.298 -4.455 1
1 902 . 8 1 1 A 80 80 ILE CA C 141 63.732 65.181 -1.449 1
1 903 . 8 1 1 A 80 80 ILE CB C 141 38.239 37.931 0.308 1
1 907 . 8 1 1 A 80 80 ILE HA H 141 4.070 3.655 0.415 1
1 911 . 8 1 1 A 80 80 ILE H H 141 7.565 7.743 -0.178 1
1 912 . 8 1 1 A 80 80 ILE N N 141 121.986 120.072 1.914 1
1 919 . 8 1 1 A 81 81 ILE CA C 142 66.387 65.568 0.819 1
1 920 . 8 1 1 A 81 81 ILE CB C 142 38.194 37.800 0.394 1
1 924 . 8 1 1 A 81 81 ILE HA H 142 3.531 3.459 0.072 1
1 928 . 8 1 1 A 81 81 ILE H H 142 8.309 8.270 0.039 1
1 929 . 8 1 1 A 81 81 ILE N N 142 121.735 120.402 1.333 1
1 936 . 8 1 1 A 82 82 ASN CA C 143 56.121 56.445 -0.324 1
1 937 . 8 1 1 A 82 82 ASN CB C 143 38.023 38.475 -0.452 1
1 938 . 8 1 1 A 82 82 ASN HA H 143 4.369 4.399 -0.030 1
1 941 . 8 1 1 A 82 82 ASN H H 143 8.919 8.705 0.214 1
1 942 . 8 1 1 A 82 82 ASN N N 143 118.128 118.218 -0.090 1
1 946 . 8 1 1 A 83 83 ALA CA C 144 55.230 55.154 0.076 1
1 947 . 8 1 1 A 83 83 ALA CB C 144 18.378 18.490 -0.112 1
1 948 . 8 1 1 A 83 83 ALA HA H 144 4.310 4.015 0.295 1
1 949 . 8 1 1 A 83 83 ALA H H 144 7.687 8.177 -0.490 1
1 950 . 8 1 1 A 83 83 ALA N N 144 122.048 122.131 -0.083 1
1 954 . 8 1 1 A 84 84 ARG CA C 145 58.842 59.298 -0.456 1
1 955 . 8 1 1 A 84 84 ARG CB C 145 30.415 30.019 0.396 1
1 958 . 8 1 1 A 84 84 ARG HA H 145 4.297 3.937 0.360 1
1 963 . 8 1 1 A 84 84 ARG H H 145 8.579 8.009 0.570 1
1 964 . 8 1 1 A 84 84 ARG N N 145 119.430 117.991 1.439 1
1 966 . 8 1 1 A 85 85 LEU CA C 146 57.861 57.731 0.130 1
1 967 . 8 1 1 A 85 85 LEU CB C 146 41.584 41.791 -0.207 1
1 971 . 8 1 1 A 85 85 LEU HA H 146 4.054 3.947 0.107 1
1 975 . 8 1 1 A 85 85 LEU H H 146 9.083 7.860 1.223 1
1 976 . 8 1 1 A 85 85 LEU N N 146 119.149 120.476 -1.327 1
1 983 . 8 1 1 A 86 86 ARG CA C 147 60.723 59.303 1.420 1
1 984 . 8 1 1 A 86 86 ARG CB C 147 29.549 30.003 -0.454 1
1 987 . 8 1 1 A 86 86 ARG HA H 147 3.774 3.999 -0.225 1
1 992 . 8 1 1 A 86 86 ARG H H 147 7.971 8.622 -0.651 1
1 993 . 8 1 1 A 86 86 ARG N N 147 118.395 118.797 -0.402 1
1 995 . 8 1 1 A 87 87 GLU CA C 148 59.392 59.245 0.147 1
1 996 . 8 1 1 A 87 87 GLU CB C 148 29.740 29.568 0.172 1
1 998 . 8 1 1 A 87 87 GLU HA H 148 4.120 4.040 0.080 1
1 1003 . 8 1 1 A 87 87 GLU H H 148 7.895 7.947 -0.052 1
1 1004 . 8 1 1 A 87 87 GLU N N 148 116.934 118.901 -1.967 1
1 1005 . 8 1 1 A 88 88 GLU CA C 149 58.455 59.146 -0.691 1
1 1006 . 8 1 1 A 88 88 GLU CB C 149 29.306 29.322 -0.016 1
1 1008 . 8 1 1 A 88 88 GLU HA H 149 4.279 3.983 0.296 1
1 1013 . 8 1 1 A 88 88 GLU H H 149 8.228 8.521 -0.293 1
1 1014 . 8 1 1 A 88 88 GLU N N 149 116.458 118.241 -1.783 1
1 1015 . 8 1 1 A 89 89 LEU CA C 150 57.767 58.055 -0.288 1
1 1016 . 8 1 1 A 89 89 LEU CB C 150 42.450 41.397 1.053 1
1 1020 . 8 1 1 A 89 89 LEU HA H 150 4.239 3.956 0.283 1
1 1024 . 8 1 1 A 89 89 LEU H H 150 8.401 8.503 -0.102 1
1 1025 . 8 1 1 A 89 89 LEU N N 150 117.854 120.479 -2.625 1
1 1032 . 8 1 1 A 90 90 ASP CA C 151 56.503 56.351 0.152 1
1 1033 . 8 1 1 A 90 90 ASP CB C 151 42.435 41.245 1.190 1
1 1034 . 8 1 1 A 90 90 ASP HA H 151 5.034 4.642 0.392 1
1 1037 . 8 1 1 A 90 90 ASP H H 151 8.524 8.246 0.278 1
1 1038 . 8 1 1 A 90 90 ASP N N 151 118.978 119.221 -0.243 1
1 1039 . 8 1 1 A 91 91 LYS CA C 152 58.455 58.684 -0.229 1
1 1040 . 8 1 1 A 91 91 LYS CB C 152 33.021 32.700 0.321 1
1 1044 . 8 1 1 A 91 91 LYS HA H 152 4.279 4.090 0.189 1
1 1049 . 8 1 1 A 91 91 LYS H H 152 7.348 8.283 -0.935 1
1 1050 . 8 1 1 A 91 91 LYS N N 152 114.172 118.169 -3.997 1
1 1053 . 8 1 1 A 92 92 ILE CA C 153 61.448 62.667 -1.219 1
1 1054 . 8 1 1 A 92 92 ILE CB C 153 39.068 37.227 1.841 1
1 1058 . 8 1 1 A 92 92 ILE HA H 153 4.427 3.808 0.619 1
1 1062 . 8 1 1 A 92 92 ILE H H 153 7.597 7.557 0.040 1
1 1063 . 8 1 1 A 92 92 ILE N N 153 114.441 119.400 -4.959 1
1 1070 . 8 1 1 A 93 93 THR CA C 154 65.433 63.350 2.083 1
1 1071 . 8 1 1 A 93 93 THR CB C 154 67.799 69.499 -1.700 1
1 1073 . 8 1 1 A 93 93 THR HA H 154 3.879 4.122 -0.243 1
1 1075 . 8 1 1 A 93 93 THR H H 154 8.195 7.523 0.672 1
1 1076 . 8 1 1 A 93 93 THR N N 154 110.253 112.684 -2.431 1
1 1080 . 8 1 1 A 94 94 ASP CA C 155 57.822 56.662 1.160 1
1 1081 . 8 1 1 A 94 94 ASP CB C 155 41.397 41.363 0.034 1
1 1082 . 8 1 1 A 94 94 ASP HA H 155 4.514 4.406 0.108 1
1 1085 . 8 1 1 A 94 94 ASP H H 155 8.474 7.818 0.656 1
1 1086 . 8 1 1 A 94 94 ASP N N 155 124.348 121.793 2.555 1
1 1087 . 8 1 1 A 95 95 ARG CA C 156 57.783 58.618 -0.835 1
1 1088 . 8 1 1 A 95 95 ARG CB C 156 29.386 30.177 -0.791 1
1 1091 . 8 1 1 A 95 95 ARG HA H 156 4.173 4.143 0.030 1
1 1096 . 8 1 1 A 95 95 ARG H H 156 7.680 8.128 -0.448 1
1 1097 . 8 1 1 A 95 95 ARG N N 156 117.839 116.681 1.158 1
1 1099 . 8 1 1 A 96 96 TRP CB C 157 29.856 29.915 -0.059 1
1 1105 . 8 1 1 A 96 96 TRP HA H 157 4.943 4.788 0.155 1
1 1112 . 8 1 1 A 96 96 TRP H H 157 7.880 7.576 0.304 1
1 1115 . 8 1 1 A 96 96 TRP N N 157 117.944 119.155 -1.211 1
1 1117 . 8 1 1 A 97 97 GLY CA C 158 46.688 46.479 0.209 1
1 1118 . 8 1 1 A 97 97 GLY HA2 H 158 4.411 4.011 0.400 1
1 1119 . 8 1 1 A 97 97 GLY HA3 H 158 4.249 4.032 0.217 1
1 1120 . 8 1 1 A 97 97 GLY H H 158 7.972 8.075 -0.103 1
1 1121 . 8 1 1 A 97 97 GLY N N 158 104.253 109.568 -5.315 1
1 1122 . 8 1 1 A 98 98 VAL CA C 159 60.417 59.278 1.139 1
1 1123 . 8 1 1 A 98 98 VAL CB C 159 36.365 35.285 1.080 1
1 1126 . 8 1 1 A 98 98 VAL HA H 159 5.012 4.782 0.230 1
1 1128 . 8 1 1 A 98 98 VAL H H 159 7.468 7.713 -0.245 1
1 1129 . 8 1 1 A 98 98 VAL N N 159 115.979 120.365 -4.386 1
1 1136 . 8 1 1 A 99 99 LYS CA C 160 53.521 54.462 -0.941 1
1 1137 . 8 1 1 A 99 99 LYS CB C 160 36.083 36.317 -0.234 1
1 1141 . 8 1 1 A 99 99 LYS HA H 160 5.053 5.178 -0.125 1
1 1148 . 8 1 1 A 99 99 LYS H H 160 9.259 9.017 0.242 1
1 1149 . 8 1 1 A 99 99 LYS N N 160 126.977 126.877 0.100 1
1 1151 . 8 1 1 A 100 100 ILE CB C 161 35.185 37.202 -2.017 1
1 1155 . 8 1 1 A 100 100 ILE HA H 161 4.896 4.534 0.362 1
1 1159 . 8 1 1 A 100 100 ILE H H 161 9.310 8.977 0.333 1
1 1160 . 8 1 1 A 100 100 ILE N N 161 127.468 126.943 0.525 1
1 1167 . 8 1 1 A 101 101 THR CA C 162 63.075 65.568 -2.493 1
1 1168 . 8 1 1 A 101 101 THR CB C 162 67.345 68.589 -1.244 1
1 1170 . 8 1 1 A 101 101 THR HA H 162 4.254 4.083 0.171 1
1 1172 . 8 1 1 A 101 101 THR H H 162 8.783 8.650 0.133 1
1 1173 . 8 1 1 A 101 101 THR N N 162 120.609 121.194 -0.585 1
1 1177 . 8 1 1 A 102 102 ARG CA C 163 55.929 54.880 1.049 1
1 1178 . 8 1 1 A 102 102 ARG CB C 163 32.468 32.078 0.390 1
1 1181 . 8 1 1 A 102 102 ARG HA H 163 4.606 4.656 -0.050 1
1 1188 . 8 1 1 A 102 102 ARG H H 163 7.669 7.645 0.024 1
1 1189 . 8 1 1 A 102 102 ARG N N 163 118.258 118.396 -0.138 1
1 1190 . 8 1 1 A 103 103 VAL CB C 164 35.090 35.817 -0.727 1
1 1193 . 8 1 1 A 103 103 VAL HA H 164 4.886 4.726 0.160 1
1 1195 . 8 1 1 A 103 103 VAL H H 164 8.700 8.307 0.393 1
1 1196 . 8 1 1 A 103 103 VAL N N 164 122.135 119.211 2.924 1
1 1203 . 8 1 1 A 104 104 GLU CA C 165 54.469 54.413 0.056 1
1 1204 . 8 1 1 A 104 104 GLU CB C 165 33.028 33.184 -0.156 1
1 1206 . 8 1 1 A 104 104 GLU HA H 165 4.835 4.956 -0.121 1
1 1209 . 8 1 1 A 104 104 GLU H H 165 9.011 8.685 0.326 1
1 1210 . 8 1 1 A 104 104 GLU N N 165 123.789 125.607 -1.818 1
1 1212 . 8 1 1 A 105 105 ILE CA C 166 61.576 60.286 1.290 1
1 1213 . 8 1 1 A 105 105 ILE CB C 166 37.908 39.215 -1.307 1
1 1217 . 8 1 1 A 105 105 ILE HA H 166 4.525 4.644 -0.119 1
1 1219 . 8 1 1 A 105 105 ILE H H 166 9.869 8.978 0.891 1
1 1220 . 8 1 1 A 105 105 ILE N N 166 130.058 124.179 5.879 1
1 1229 . 8 1 1 A 106 106 GLN CA C 167 55.964 55.757 0.207 1
1 1230 . 8 1 1 A 106 106 GLN CB C 167 28.789 29.607 -0.818 1
1 1232 . 8 1 1 A 106 106 GLN HA H 167 4.661 4.348 0.313 1
1 1239 . 8 1 1 A 106 106 GLN H H 167 8.573 8.371 0.202 1
1 1240 . 8 1 1 A 106 106 GLN N N 167 127.576 127.061 0.515 1
1 1242 . 8 1 1 A 107 107 ARG CA C 168 56.113 57.354 -1.241 1
1 1243 . 8 1 1 A 107 107 ARG CB C 168 32.098 31.026 1.072 1
1 1246 . 8 1 1 A 107 107 ARG HA H 168 4.468 4.259 0.209 1
1 1251 . 8 1 1 A 107 107 ARG H H 168 8.762 8.480 0.282 1
1 1252 . 8 1 1 A 107 107 ARG N N 168 122.725 121.741 0.984 1
1 1254 . 8 1 1 A 108 108 ILE CA C 169 61.618 59.492 2.126 1
1 1255 . 8 1 1 A 108 108 ILE CB C 169 39.583 41.161 -1.578 1
1 1259 . 8 1 1 A 108 108 ILE HA H 169 4.451 4.943 -0.492 1
1 1263 . 8 1 1 A 108 108 ILE H H 169 7.996 8.427 -0.431 1
1 1264 . 8 1 1 A 108 108 ILE N N 169 120.383 122.391 -2.008 1
1 1271 . 8 1 1 A 109 109 ASP CA C 170 51.571 49.983 1.588 1
1 1272 . 8 1 1 A 109 109 ASP CB C 170 42.763 42.312 0.451 1
1 1273 . 8 1 1 A 109 109 ASP HA H 170 5.579 5.117 0.462 1
1 1276 . 8 1 1 A 109 109 ASP H H 170 9.067 8.610 0.457 1
1 1277 . 8 1 1 A 109 109 ASP N N 170 126.604 123.949 2.655 1
1 1278 . 8 1 1 A 110 110 PRO CA C 171 61.302 61.505 -0.203 1
1 1279 . 8 1 1 A 110 110 PRO CB C 171 30.857 31.680 -0.823 1
1 1282 . 8 1 1 A 110 110 PRO HA H 171 5.081 4.723 0.358 1
1 1288 . 8 1 1 A 111 111 PRO CA C 172 63.367 62.685 0.682 1
1 1289 . 8 1 1 A 111 111 PRO CB C 172 32.050 31.978 0.072 1
1 1292 . 8 1 1 A 111 111 PRO HA H 172 4.568 4.488 0.080 1
1 1298 . 8 1 1 A 112 112 LYS CA C 173 55.951 56.572 -0.621 1
1 1299 . 8 1 1 A 112 112 LYS CB C 173 33.412 33.440 -0.028 1
1 1303 . 8 1 1 A 112 112 LYS HA H 173 4.465 4.422 0.043 1
1 1306 . 8 1 1 A 112 112 LYS H H 173 8.533 8.296 0.237 1
1 1307 . 8 1 1 A 112 112 LYS N N 173 122.499 122.481 0.018 1
1 1 . 9 1 1 A 2 2 SER HA H 63 4.660 5.307 -0.647 1
1 4 . 9 1 1 A 2 2 SER CB C 63 63.645 65.816 -2.171 1
1 5 . 9 1 1 A 3 3 ASP HA H 64 4.688 4.366 0.322 1
1 8 . 9 1 1 A 3 3 ASP H H 64 8.603 8.633 -0.030 1
1 9 . 9 1 1 A 3 3 ASP CA C 64 54.354 54.634 -0.280 1
1 10 . 9 1 1 A 3 3 ASP CB C 64 40.980 41.320 -0.340 1
1 11 . 9 1 1 A 3 3 ASP N N 64 122.069 125.632 -3.563 1
1 12 . 9 1 1 A 4 4 HIS HA H 65 4.735 4.792 -0.057 1
1 17 . 9 1 1 A 4 4 HIS H H 65 8.354 7.989 0.365 1
1 18 . 9 1 1 A 4 4 HIS CA C 65 56.220 55.042 1.178 1
1 19 . 9 1 1 A 4 4 HIS CB C 65 30.570 31.349 -0.779 1
1 22 . 9 1 1 A 4 4 HIS N N 65 119.219 118.468 0.751 1
1 29 . 9 1 1 A 5 5 VAL HA H 66 4.183 4.979 -0.796 1
1 31 . 9 1 1 A 5 5 VAL H H 66 8.073 8.654 -0.581 1
1 32 . 9 1 1 A 5 5 VAL CA C 66 62.127 59.215 2.912 1
1 33 . 9 1 1 A 5 5 VAL CB C 66 32.960 35.872 -2.912 1
1 36 . 9 1 1 A 5 5 VAL N N 66 121.775 113.534 8.241 1
1 37 . 9 1 1 A 6 6 ASP CA C 67 53.727 52.638 1.089 1
1 38 . 9 1 1 A 6 6 ASP CB C 67 41.472 43.974 -2.502 1
1 39 . 9 1 1 A 6 6 ASP HA H 67 4.771 5.000 -0.229 1
1 42 . 9 1 1 A 6 6 ASP H H 67 8.615 8.892 -0.277 1
1 43 . 9 1 1 A 6 6 ASP N N 67 124.725 121.489 3.236 1
1 44 . 9 1 1 A 7 7 LEU CA C 68 54.586 54.154 0.432 1
1 45 . 9 1 1 A 7 7 LEU CB C 68 41.657 41.340 0.317 1
1 49 . 9 1 1 A 7 7 LEU HA H 68 4.556 4.500 0.056 1
1 53 . 9 1 1 A 7 7 LEU H H 68 8.441 8.576 -0.135 1
1 54 . 9 1 1 A 7 7 LEU N N 68 123.747 121.557 2.190 1
1 61 . 9 1 1 A 8 8 ARG CA C 69 56.247 55.742 0.505 1
1 62 . 9 1 1 A 8 8 ARG CB C 69 30.828 31.049 -0.221 1
1 65 . 9 1 1 A 8 8 ARG HA H 69 4.253 4.199 0.054 1
1 70 . 9 1 1 A 8 8 ARG H H 69 8.209 7.565 0.644 1
1 71 . 9 1 1 A 8 8 ARG N N 69 121.063 120.821 0.242 1
1 73 . 9 1 1 A 9 9 GLU CA C 70 55.691 55.310 0.381 1
1 74 . 9 1 1 A 9 9 GLU CB C 70 31.777 31.124 0.653 1
1 76 . 9 1 1 A 9 9 GLU HA H 70 4.655 4.737 -0.082 1
1 79 . 9 1 1 A 9 9 GLU H H 70 8.338 8.336 0.002 1
1 80 . 9 1 1 A 9 9 GLU N N 70 121.677 122.253 -0.576 1
1 82 . 9 1 1 A 10 10 HIS CA C 71 54.619 53.704 0.915 1
1 83 . 9 1 1 A 10 10 HIS CB C 71 32.189 32.614 -0.425 1
1 86 . 9 1 1 A 10 10 HIS HA H 71 4.716 4.954 -0.238 1
1 91 . 9 1 1 A 10 10 HIS H H 71 9.043 8.620 0.423 1
1 92 . 9 1 1 A 10 10 HIS N N 71 125.575 120.141 5.434 1
1 93 . 9 1 1 A 11 11 VAL CA C 72 60.567 60.357 0.210 1
1 94 . 9 1 1 A 11 11 VAL CB C 72 35.380 33.989 1.391 1
1 97 . 9 1 1 A 11 11 VAL HA H 72 4.951 4.675 0.276 1
1 99 . 9 1 1 A 11 11 VAL H H 72 8.218 8.720 -0.502 1
1 100 . 9 1 1 A 11 11 VAL N N 72 117.348 122.524 -5.176 1
1 107 . 9 1 1 A 12 12 ILE CA C 73 59.857 60.090 -0.233 1
1 108 . 9 1 1 A 12 12 ILE CB C 73 41.969 40.129 1.840 1
1 112 . 9 1 1 A 12 12 ILE HA H 73 4.464 4.914 -0.450 1
1 116 . 9 1 1 A 12 12 ILE H H 73 9.272 9.001 0.271 1
1 117 . 9 1 1 A 12 12 ILE N N 73 126.908 129.018 -2.110 1
1 124 . 9 1 1 A 13 13 ASP CB C 74 41.534 41.240 0.294 1
1 125 . 9 1 1 A 13 13 ASP HA H 74 4.885 4.988 -0.103 1
1 128 . 9 1 1 A 13 13 ASP H H 74 8.501 8.865 -0.364 1
1 129 . 9 1 1 A 13 13 ASP N N 74 126.253 128.531 -2.278 1
1 130 . 9 1 1 A 14 14 VAL CA C 75 59.550 58.567 0.983 1
1 131 . 9 1 1 A 14 14 VAL CB C 75 32.270 33.702 -1.432 1
1 134 . 9 1 1 A 14 14 VAL HA H 75 4.491 4.535 -0.044 1
1 136 . 9 1 1 A 14 14 VAL H H 75 8.758 8.663 0.095 1
1 137 . 9 1 1 A 14 14 VAL N N 75 124.997 125.216 -0.219 1
1 144 . 9 1 1 A 15 15 PRO CB C 76 30.981 31.595 -0.614 1
1 147 . 9 1 1 A 15 15 PRO HA H 76 4.837 4.727 0.110 1
1 153 . 9 1 1 A 16 16 PRO CB C 77 32.267 33.051 -0.784 1
1 156 . 9 1 1 A 16 16 PRO HA H 77 4.881 5.012 -0.131 1
1 162 . 9 1 1 A 17 17 GLN CA C 78 53.332 54.265 -0.933 1
1 163 . 9 1 1 A 17 17 GLN CB C 78 33.352 31.622 1.730 1
1 165 . 9 1 1 A 17 17 GLN HA H 78 4.768 4.892 -0.124 1
1 170 . 9 1 1 A 17 17 GLN H H 78 8.612 8.195 0.417 1
1 171 . 9 1 1 A 17 17 GLN N N 78 119.550 119.576 -0.026 1
1 175 . 9 1 1 A 18 18 GLU CA C 79 55.955 56.328 -0.373 1
1 176 . 9 1 1 A 18 18 GLU CB C 79 30.087 30.151 -0.064 1
1 178 . 9 1 1 A 18 18 GLU HA H 79 5.070 4.888 0.182 1
1 183 . 9 1 1 A 18 18 GLU H H 79 8.626 8.770 -0.144 1
1 184 . 9 1 1 A 18 18 GLU N N 79 123.226 124.426 -1.200 1
1 185 . 9 1 1 A 19 19 VAL CA C 80 60.191 59.285 0.906 1
1 186 . 9 1 1 A 19 19 VAL CB C 80 34.901 35.283 -0.382 1
1 189 . 9 1 1 A 19 19 VAL HA H 80 4.562 4.760 -0.198 1
1 191 . 9 1 1 A 19 19 VAL H H 80 9.568 8.214 1.354 1
1 192 . 9 1 1 A 19 19 VAL N N 80 123.365 118.053 5.312 1
1 199 . 9 1 1 A 20 20 ILE CA C 81 60.810 61.199 -0.389 1
1 200 . 9 1 1 A 20 20 ILE CB C 81 39.198 37.136 2.062 1
1 204 . 9 1 1 A 20 20 ILE HA H 81 4.678 4.126 0.552 1
1 208 . 9 1 1 A 20 20 ILE H H 81 8.048 8.689 -0.641 1
1 209 . 9 1 1 A 20 20 ILE N N 81 122.564 124.998 -2.434 1
1 216 . 9 1 1 A 21 21 CYS CB C 82 29.386 28.755 0.631 1
1 217 . 9 1 1 A 21 21 CYS HA H 82 4.932 4.488 0.444 1
1 220 . 9 1 1 A 21 21 CYS H H 82 8.796 8.929 -0.133 1
1 221 . 9 1 1 A 21 21 CYS N N 82 125.960 126.911 -0.951 1
1 222 . 9 1 1 A 22 22 LYS CA C 83 59.330 58.901 0.429 1
1 223 . 9 1 1 A 22 22 LYS CB C 83 33.478 32.517 0.961 1
1 227 . 9 1 1 A 22 22 LYS HA H 83 4.096 4.036 0.060 1
1 234 . 9 1 1 A 22 22 LYS H H 83 8.735 8.603 0.132 1
1 235 . 9 1 1 A 22 22 LYS N N 83 123.785 124.941 -1.156 1
1 237 . 9 1 1 A 23 23 ASP CA C 84 53.011 53.198 -0.187 1
1 238 . 9 1 1 A 23 23 ASP CB C 84 38.642 40.757 -2.115 1
1 239 . 9 1 1 A 23 23 ASP HA H 84 4.694 4.779 -0.085 1
1 242 . 9 1 1 A 23 23 ASP H H 84 8.667 7.771 0.896 1
1 243 . 9 1 1 A 23 23 ASP N N 84 112.676 117.698 -5.022 1
1 244 . 9 1 1 A 24 24 ASN CA C 85 54.989 54.045 0.944 1
1 245 . 9 1 1 A 24 24 ASN CB C 85 36.698 37.082 -0.384 1
1 246 . 9 1 1 A 24 24 ASN HA H 85 4.321 4.389 -0.068 1
1 251 . 9 1 1 A 24 24 ASN H H 85 8.264 7.739 0.525 1
1 252 . 9 1 1 A 24 24 ASN N N 85 112.321 117.693 -5.372 1
1 254 . 9 1 1 A 25 25 VAL CA C 86 61.920 60.629 1.291 1
1 255 . 9 1 1 A 25 25 VAL CB C 86 33.581 34.504 -0.923 1
1 258 . 9 1 1 A 25 25 VAL HA H 86 4.247 4.491 -0.244 1
1 260 . 9 1 1 A 25 25 VAL H H 86 6.817 7.597 -0.780 1
1 261 . 9 1 1 A 25 25 VAL N N 86 117.663 118.499 -0.836 1
1 268 . 9 1 1 A 26 26 VAL CA C 87 62.127 62.701 -0.574 1
1 269 . 9 1 1 A 26 26 VAL CB C 87 32.468 30.979 1.489 1
1 272 . 9 1 1 A 26 26 VAL HA H 87 4.710 4.347 0.363 1
1 274 . 9 1 1 A 26 26 VAL H H 87 8.467 8.789 -0.322 1
1 275 . 9 1 1 A 26 26 VAL N N 87 128.149 128.149 0.000 1
1 282 . 9 1 1 A 27 27 VAL CA C 88 58.409 59.050 -0.641 1
1 283 . 9 1 1 A 27 27 VAL CB C 88 34.991 35.837 -0.846 1
1 286 . 9 1 1 A 27 27 VAL HA H 88 4.995 5.042 -0.047 1
1 288 . 9 1 1 A 27 27 VAL H H 88 8.983 8.885 0.098 1
1 289 . 9 1 1 A 27 27 VAL N N 88 119.421 121.398 -1.977 1
1 296 . 9 1 1 A 28 28 THR CA C 89 62.180 62.070 0.110 1
1 297 . 9 1 1 A 28 28 THR CB C 89 69.351 69.773 -0.422 1
1 299 . 9 1 1 A 28 28 THR HA H 89 5.249 4.953 0.296 1
1 301 . 9 1 1 A 28 28 THR H H 89 8.544 8.640 -0.096 1
1 302 . 9 1 1 A 28 28 THR N N 89 118.810 118.356 0.454 1
1 306 . 9 1 1 A 29 29 VAL CA C 90 58.826 59.631 -0.805 1
1 307 . 9 1 1 A 29 29 VAL CB C 90 36.035 35.353 0.682 1
1 310 . 9 1 1 A 29 29 VAL HA H 90 5.527 5.098 0.429 1
1 312 . 9 1 1 A 29 29 VAL H H 90 8.818 9.091 -0.273 1
1 313 . 9 1 1 A 29 29 VAL N N 90 123.670 121.986 1.684 1
1 320 . 9 1 1 A 30 30 ASP CA C 91 52.821 53.236 -0.415 1
1 321 . 9 1 1 A 30 30 ASP CB C 91 42.960 44.210 -1.250 1
1 322 . 9 1 1 A 30 30 ASP HA H 91 4.785 5.351 -0.566 1
1 325 . 9 1 1 A 30 30 ASP H H 91 8.478 8.732 -0.254 1
1 326 . 9 1 1 A 30 30 ASP N N 91 125.411 119.444 5.967 1
1 327 . 9 1 1 A 31 31 ALA CA C 92 51.718 51.297 0.421 1
1 328 . 9 1 1 A 31 31 ALA CB C 92 22.216 23.328 -1.112 1
1 329 . 9 1 1 A 31 31 ALA HA H 92 5.268 4.961 0.307 1
1 330 . 9 1 1 A 31 31 ALA H H 92 8.075 8.395 -0.320 1
1 331 . 9 1 1 A 31 31 ALA N N 92 116.806 121.266 -4.460 1
1 335 . 9 1 1 A 32 32 VAL CB C 93 34.772 33.813 0.959 1
1 338 . 9 1 1 A 32 32 VAL HA H 93 4.901 4.969 -0.068 1
1 340 . 9 1 1 A 32 32 VAL H H 93 8.306 8.634 -0.328 1
1 341 . 9 1 1 A 32 32 VAL N N 93 117.482 115.717 1.765 1
1 348 . 9 1 1 A 33 33 VAL CA C 94 61.058 61.185 -0.127 1
1 349 . 9 1 1 A 33 33 VAL CB C 94 34.773 35.193 -0.420 1
1 352 . 9 1 1 A 33 33 VAL HA H 94 4.515 4.724 -0.209 1
1 354 . 9 1 1 A 33 33 VAL H H 94 8.873 8.641 0.232 1
1 355 . 9 1 1 A 33 33 VAL N N 94 124.653 121.840 2.813 1
1 362 . 9 1 1 A 34 34 TYR CA C 95 56.333 57.950 -1.617 1
1 363 . 9 1 1 A 34 34 TYR CB C 95 40.336 40.630 -0.294 1
1 366 . 9 1 1 A 34 34 TYR HA H 95 5.834 5.499 0.335 1
1 371 . 9 1 1 A 34 34 TYR H H 95 8.989 8.686 0.303 1
1 372 . 9 1 1 A 34 34 TYR N N 95 126.081 127.288 -1.207 1
1 375 . 9 1 1 A 35 35 TYR CA C 96 55.679 56.608 -0.929 1
1 376 . 9 1 1 A 35 35 TYR CB C 96 42.824 41.036 1.788 1
1 379 . 9 1 1 A 35 35 TYR HA H 96 6.097 5.828 0.269 1
1 384 . 9 1 1 A 35 35 TYR H H 96 9.102 8.278 0.824 1
1 385 . 9 1 1 A 35 35 TYR N N 96 117.188 118.841 -1.653 1
1 388 . 9 1 1 A 36 36 GLN CB C 97 33.643 32.266 1.377 1
1 390 . 9 1 1 A 36 36 GLN HA H 97 4.942 4.943 -0.001 1
1 395 . 9 1 1 A 36 36 GLN H H 97 9.441 8.591 0.850 1
1 396 . 9 1 1 A 36 36 GLN N N 97 118.000 119.425 -1.425 1
1 399 . 9 1 1 A 37 37 VAL CA C 98 63.621 63.488 0.133 1
1 400 . 9 1 1 A 37 37 VAL CB C 98 31.380 30.806 0.574 1
1 403 . 9 1 1 A 37 37 VAL HA H 98 4.286 4.049 0.237 1
1 405 . 9 1 1 A 37 37 VAL H H 98 9.692 9.005 0.687 1
1 406 . 9 1 1 A 37 37 VAL N N 98 126.436 123.784 2.652 1
1 413 . 9 1 1 A 38 38 ILE CA C 99 61.011 62.848 -1.837 1
1 414 . 9 1 1 A 38 38 ILE CB C 99 38.943 38.348 0.595 1
1 418 . 9 1 1 A 38 38 ILE HA H 99 4.514 4.148 0.366 1
1 422 . 9 1 1 A 38 38 ILE H H 99 8.540 8.198 0.342 1
1 423 . 9 1 1 A 38 38 ILE N N 99 123.480 124.169 -0.689 1
1 430 . 9 1 1 A 39 39 ASP CA C 100 50.850 50.653 0.197 1
1 431 . 9 1 1 A 39 39 ASP CB C 100 41.979 42.650 -0.671 1
1 432 . 9 1 1 A 39 39 ASP HA H 100 5.326 5.013 0.313 1
1 435 . 9 1 1 A 39 39 ASP H H 100 8.135 7.714 0.421 1
1 436 . 9 1 1 A 39 39 ASP N N 100 119.056 122.418 -3.362 1
1 437 . 9 1 1 A 40 40 PRO CA C 101 64.279 65.528 -1.249 1
1 438 . 9 1 1 A 40 40 PRO CB C 101 32.510 31.917 0.593 1
1 441 . 9 1 1 A 40 40 PRO HA H 101 4.299 4.222 0.077 1
1 448 . 9 1 1 A 41 41 VAL CA C 102 65.120 64.573 0.547 1
1 449 . 9 1 1 A 41 41 VAL CB C 102 31.406 31.342 0.064 1
1 452 . 9 1 1 A 41 41 VAL HA H 102 3.886 3.838 0.048 1
1 454 . 9 1 1 A 41 41 VAL H H 102 7.936 7.876 0.060 1
1 455 . 9 1 1 A 41 41 VAL N N 102 118.168 116.454 1.714 1
1 462 . 9 1 1 A 42 42 LYS CA C 103 57.852 58.013 -0.161 1
1 463 . 9 1 1 A 42 42 LYS CB C 103 33.597 33.477 0.120 1
1 467 . 9 1 1 A 42 42 LYS HA H 103 4.242 4.425 -0.183 1
1 472 . 9 1 1 A 42 42 LYS H H 103 7.240 7.956 -0.716 1
1 473 . 9 1 1 A 42 42 LYS N N 103 118.280 120.938 -2.658 1
1 476 . 9 1 1 A 43 43 ALA CA C 104 53.615 51.099 2.516 1
1 477 . 9 1 1 A 43 43 ALA CB C 104 18.578 19.224 -0.646 1
1 478 . 9 1 1 A 43 43 ALA HA H 104 4.632 4.441 0.191 1
1 479 . 9 1 1 A 43 43 ALA H H 104 7.702 7.684 0.018 1
1 480 . 9 1 1 A 43 43 ALA N N 104 122.122 118.977 3.145 1
1 484 . 9 1 1 A 44 44 VAL CA C 105 62.530 61.206 1.324 1
1 485 . 9 1 1 A 44 44 VAL CB C 105 31.680 30.964 0.716 1
1 488 . 9 1 1 A 44 44 VAL HA H 105 4.197 4.170 0.027 1
1 490 . 9 1 1 A 44 44 VAL H H 105 7.682 7.729 -0.047 1
1 491 . 9 1 1 A 44 44 VAL N N 105 115.037 119.168 -4.131 1
1 498 . 9 1 1 A 45 45 TYR CA C 106 57.222 56.992 0.230 1
1 499 . 9 1 1 A 45 45 TYR CB C 106 38.651 37.591 1.060 1
1 502 . 9 1 1 A 45 45 TYR HA H 106 4.652 4.830 -0.178 1
1 505 . 9 1 1 A 45 45 TYR H H 106 7.436 7.460 -0.024 1
1 506 . 9 1 1 A 45 45 TYR N N 106 118.804 121.283 -2.479 1
1 510 . 9 1 1 A 46 46 ASN CB C 107 39.028 36.960 2.068 1
1 511 . 9 1 1 A 46 46 ASN HA H 107 4.959 4.381 0.578 1
1 516 . 9 1 1 A 46 46 ASN H H 107 8.614 8.147 0.467 1
1 517 . 9 1 1 A 46 46 ASN N N 107 118.495 113.761 4.734 1
1 519 . 9 1 1 A 47 47 VAL CA C 108 65.178 63.151 2.027 1
1 520 . 9 1 1 A 47 47 VAL CB C 108 32.022 30.244 1.778 1
1 523 . 9 1 1 A 47 47 VAL HA H 108 3.952 3.918 0.034 1
1 525 . 9 1 1 A 47 47 VAL H H 108 8.342 8.051 0.291 1
1 526 . 9 1 1 A 47 47 VAL N N 108 123.377 118.194 5.183 1
1 533 . 9 1 1 A 48 48 SER CA C 109 61.473 61.580 -0.107 1
1 534 . 9 1 1 A 48 48 SER CB C 109 62.248 63.896 -1.648 1
1 535 . 9 1 1 A 48 48 SER HA H 109 4.298 4.453 -0.155 1
1 536 . 9 1 1 A 48 48 SER H H 109 8.353 8.022 0.331 1
1 537 . 9 1 1 A 48 48 SER N N 109 116.439 115.788 0.651 1
1 539 . 9 1 1 A 49 49 ASP CA C 110 56.211 57.188 -0.977 1
1 540 . 9 1 1 A 49 49 ASP CB C 110 40.691 40.272 0.419 1
1 541 . 9 1 1 A 49 49 ASP HA H 110 4.534 4.169 0.365 1
1 542 . 9 1 1 A 49 49 ASP H H 110 7.832 8.294 -0.462 1
1 543 . 9 1 1 A 49 49 ASP N N 110 121.141 122.030 -0.889 1
1 545 . 9 1 1 A 50 50 PHE CA C 111 60.009 61.366 -1.357 1
1 546 . 9 1 1 A 50 50 PHE CB C 111 38.598 39.397 -0.799 1
1 550 . 9 1 1 A 50 50 PHE HA H 111 3.486 4.160 -0.674 1
1 555 . 9 1 1 A 50 50 PHE H H 111 8.044 8.063 -0.019 1
1 557 . 9 1 1 A 50 50 PHE N N 111 122.621 122.046 0.575 1
1 560 . 9 1 1 A 51 51 LEU CA C 112 58.009 58.089 -0.080 1
1 561 . 9 1 1 A 51 51 LEU CB C 112 41.213 41.978 -0.765 1
1 565 . 9 1 1 A 51 51 LEU HA H 112 3.546 3.555 -0.009 1
1 569 . 9 1 1 A 51 51 LEU H H 112 8.046 8.499 -0.453 1
1 570 . 9 1 1 A 51 51 LEU N N 112 119.691 120.354 -0.663 1
1 577 . 9 1 1 A 52 52 MET CA C 113 57.696 58.078 -0.382 1
1 578 . 9 1 1 A 52 52 MET CB C 113 32.289 32.091 0.198 1
1 581 . 9 1 1 A 52 52 MET HA H 113 4.231 4.146 0.085 1
1 586 . 9 1 1 A 52 52 MET H H 113 7.563 8.476 -0.913 1
1 587 . 9 1 1 A 52 52 MET N N 113 115.770 116.839 -1.069 1
1 591 . 9 1 1 A 53 53 ALA CA C 114 54.815 55.025 -0.210 1
1 592 . 9 1 1 A 53 53 ALA CB C 114 18.369 18.880 -0.511 1
1 593 . 9 1 1 A 53 53 ALA HA H 114 4.199 4.052 0.147 1
1 594 . 9 1 1 A 53 53 ALA H H 114 7.878 7.774 0.104 1
1 595 . 9 1 1 A 53 53 ALA N N 114 121.804 122.321 -0.517 1
1 599 . 9 1 1 A 54 54 ILE CA C 115 63.259 64.893 -1.634 1
1 600 . 9 1 1 A 54 54 ILE CB C 115 36.127 37.389 -1.262 1
1 604 . 9 1 1 A 54 54 ILE HA H 115 3.767 3.609 0.158 1
1 608 . 9 1 1 A 54 54 ILE H H 115 8.202 8.209 -0.007 1
1 609 . 9 1 1 A 54 54 ILE N N 115 118.054 117.879 0.175 1
1 616 . 9 1 1 A 55 55 VAL CA C 116 68.036 67.121 0.915 1
1 617 . 9 1 1 A 55 55 VAL CB C 116 31.463 31.610 -0.147 1
1 620 . 9 1 1 A 55 55 VAL HA H 116 3.509 3.513 -0.004 1
1 622 . 9 1 1 A 55 55 VAL H H 116 7.961 7.482 0.479 1
1 623 . 9 1 1 A 55 55 VAL N N 116 121.095 119.881 1.214 1
1 630 . 9 1 1 A 56 56 LYS CA C 117 59.077 59.249 -0.172 1
1 631 . 9 1 1 A 56 56 LYS CB C 117 31.997 32.365 -0.368 1
1 635 . 9 1 1 A 56 56 LYS HA H 117 4.297 4.020 0.277 1
1 638 . 9 1 1 A 56 56 LYS H H 117 8.000 7.727 0.273 1
1 639 . 9 1 1 A 56 56 LYS N N 117 118.806 118.934 -0.128 1
1 643 . 9 1 1 A 57 57 LEU CA C 118 57.515 57.990 -0.475 1
1 644 . 9 1 1 A 57 57 LEU CB C 118 42.727 41.509 1.218 1
1 648 . 9 1 1 A 57 57 LEU HA H 118 4.286 3.991 0.295 1
1 652 . 9 1 1 A 57 57 LEU H H 118 8.390 8.429 -0.039 1
1 653 . 9 1 1 A 57 57 LEU N N 118 120.738 120.345 0.393 1
1 660 . 9 1 1 A 58 58 ALA CA C 119 55.695 55.339 0.356 1
1 661 . 9 1 1 A 58 58 ALA CB C 119 17.984 18.648 -0.664 1
1 662 . 9 1 1 A 58 58 ALA HA H 119 4.131 4.038 0.093 1
1 663 . 9 1 1 A 58 58 ALA H H 119 9.213 8.737 0.476 1
1 664 . 9 1 1 A 58 58 ALA N N 119 123.641 121.241 2.400 1
1 668 . 9 1 1 A 59 59 GLN CA C 120 60.234 58.914 1.320 1
1 669 . 9 1 1 A 59 59 GLN CB C 120 28.353 28.303 0.050 1
1 671 . 9 1 1 A 59 59 GLN HA H 120 3.972 4.032 -0.060 1
1 678 . 9 1 1 A 59 59 GLN H H 120 8.649 7.883 0.766 1
1 679 . 9 1 1 A 59 59 GLN N N 120 116.453 117.871 -1.418 1
1 681 . 9 1 1 A 60 60 THR CA C 121 66.360 65.944 0.416 1
1 682 . 9 1 1 A 60 60 THR CB C 121 68.868 69.034 -0.166 1
1 684 . 9 1 1 A 60 60 THR HA H 121 4.076 4.025 0.051 1
1 686 . 9 1 1 A 60 60 THR H H 121 8.566 7.319 1.247 1
1 687 . 9 1 1 A 60 60 THR N N 121 115.479 115.496 -0.017 1
1 691 . 9 1 1 A 61 61 ASN CA C 122 57.397 56.509 0.888 1
1 692 . 9 1 1 A 61 61 ASN CB C 122 39.535 37.941 1.594 1
1 693 . 9 1 1 A 61 61 ASN HA H 122 4.626 4.339 0.287 1
1 698 . 9 1 1 A 61 61 ASN H H 122 8.433 8.368 0.065 1
1 699 . 9 1 1 A 61 61 ASN N N 122 120.652 118.676 1.976 1
1 701 . 9 1 1 A 62 62 LEU CA C 123 58.804 58.280 0.524 1
1 702 . 9 1 1 A 62 62 LEU CB C 123 42.331 41.593 0.738 1
1 706 . 9 1 1 A 62 62 LEU HA H 123 4.068 3.965 0.103 1
1 710 . 9 1 1 A 62 62 LEU H H 123 8.837 8.319 0.518 1
1 711 . 9 1 1 A 62 62 LEU N N 123 121.425 117.909 3.516 1
1 718 . 9 1 1 A 63 63 ARG CA C 124 59.647 59.440 0.207 1
1 719 . 9 1 1 A 63 63 ARG CB C 124 30.112 30.168 -0.056 1
1 722 . 9 1 1 A 63 63 ARG HA H 124 4.030 3.964 0.066 1
1 727 . 9 1 1 A 63 63 ARG H H 124 7.502 8.245 -0.743 1
1 728 . 9 1 1 A 63 63 ARG N N 124 116.156 119.712 -3.556 1
1 730 . 9 1 1 A 64 64 ALA CA C 125 54.793 55.072 -0.279 1
1 731 . 9 1 1 A 64 64 ALA CB C 125 18.471 18.814 -0.343 1
1 732 . 9 1 1 A 64 64 ALA HA H 125 4.260 3.987 0.273 1
1 733 . 9 1 1 A 64 64 ALA H H 125 7.637 7.794 -0.157 1
1 734 . 9 1 1 A 64 64 ALA N N 125 121.808 121.872 -0.064 1
1 738 . 9 1 1 A 65 65 ILE CA C 126 64.917 64.716 0.201 1
1 739 . 9 1 1 A 65 65 ILE CB C 126 39.599 37.773 1.826 1
1 743 . 9 1 1 A 65 65 ILE HA H 126 3.745 3.727 0.018 1
1 747 . 9 1 1 A 65 65 ILE H H 126 8.476 7.432 1.044 1
1 748 . 9 1 1 A 65 65 ILE N N 126 117.948 117.155 0.793 1
1 755 . 9 1 1 A 66 66 ILE CA C 127 64.704 64.733 -0.029 1
1 756 . 9 1 1 A 66 66 ILE CB C 127 37.188 37.615 -0.427 1
1 760 . 9 1 1 A 66 66 ILE HA H 127 3.826 3.743 0.083 1
1 764 . 9 1 1 A 66 66 ILE H H 127 8.130 8.316 -0.186 1
1 765 . 9 1 1 A 66 66 ILE N N 127 118.919 119.419 -0.500 1
1 772 . 9 1 1 A 67 67 GLY CA C 128 46.401 46.763 -0.362 1
1 773 . 9 1 1 A 67 67 GLY HA2 H 128 4.437 3.984 0.453 1
1 774 . 9 1 1 A 67 67 GLY HA3 H 128 3.925 3.984 -0.059 1
1 775 . 9 1 1 A 67 67 GLY H H 128 7.683 7.662 0.021 1
1 776 . 9 1 1 A 67 67 GLY N N 128 104.485 109.218 -4.733 1
1 777 . 9 1 1 A 68 68 GLU CA C 129 55.446 54.970 0.476 1
1 778 . 9 1 1 A 68 68 GLU CB C 129 30.672 31.556 -0.884 1
1 780 . 9 1 1 A 68 68 GLU HA H 129 4.589 4.946 -0.357 1
1 785 . 9 1 1 A 68 68 GLU H H 129 7.111 8.290 -1.179 1
1 786 . 9 1 1 A 68 68 GLU N N 129 115.084 116.415 -1.331 1
1 787 . 9 1 1 A 69 69 MET CA C 130 55.238 54.684 0.554 1
1 788 . 9 1 1 A 69 69 MET CB C 130 36.559 36.461 0.098 1
1 791 . 9 1 1 A 69 69 MET HA H 130 4.763 4.833 -0.070 1
1 796 . 9 1 1 A 69 69 MET H H 130 8.414 8.610 -0.196 1
1 797 . 9 1 1 A 69 69 MET N N 130 121.732 121.372 0.360 1
1 801 . 9 1 1 A 70 70 GLU CA C 131 56.474 54.981 1.493 1
1 802 . 9 1 1 A 70 70 GLU CB C 131 30.686 31.985 -1.299 1
1 804 . 9 1 1 A 70 70 GLU HA H 131 4.354 4.968 -0.614 1
1 809 . 9 1 1 A 70 70 GLU H H 131 9.395 8.652 0.743 1
1 810 . 9 1 1 A 70 70 GLU N N 131 122.754 120.001 2.753 1
1 811 . 9 1 1 A 71 71 LEU CA C 132 59.955 58.174 1.781 1
1 812 . 9 1 1 A 71 71 LEU CB C 132 40.900 42.031 -1.131 1
1 816 . 9 1 1 A 71 71 LEU HA H 132 4.454 3.979 0.475 1
1 820 . 9 1 1 A 71 71 LEU H H 132 10.320 8.809 1.511 1
1 821 . 9 1 1 A 71 71 LEU N N 132 127.791 128.730 -0.939 1
1 828 . 9 1 1 A 72 72 ASP CA C 133 57.961 57.054 0.907 1
1 829 . 9 1 1 A 72 72 ASP CB C 133 40.031 40.854 -0.823 1
1 830 . 9 1 1 A 72 72 ASP HA H 133 4.452 4.450 0.002 1
1 831 . 9 1 1 A 72 72 ASP H H 133 9.283 8.447 0.836 1
1 832 . 9 1 1 A 72 72 ASP N N 133 117.573 118.082 -0.509 1
1 834 . 9 1 1 A 73 73 GLU CA C 134 58.070 59.441 -1.371 1
1 835 . 9 1 1 A 73 73 GLU CB C 134 30.329 29.504 0.825 1
1 837 . 9 1 1 A 73 73 GLU HA H 134 4.166 4.071 0.095 1
1 842 . 9 1 1 A 73 73 GLU H H 134 7.307 8.206 -0.899 1
1 843 . 9 1 1 A 73 73 GLU N N 134 118.947 120.076 -1.129 1
1 844 . 9 1 1 A 74 74 THR CA C 135 67.017 66.018 0.999 1
1 845 . 9 1 1 A 74 74 THR CB C 135 68.224 68.412 -0.188 1
1 847 . 9 1 1 A 74 74 THR HA H 135 3.966 4.141 -0.175 1
1 849 . 9 1 1 A 74 74 THR H H 135 8.334 8.527 -0.193 1
1 850 . 9 1 1 A 74 74 THR N N 135 116.702 114.192 2.510 1
1 854 . 9 1 1 A 75 75 LEU CA C 136 57.604 58.215 -0.611 1
1 855 . 9 1 1 A 75 75 LEU CB C 136 41.375 42.052 -0.677 1
1 859 . 9 1 1 A 75 75 LEU HA H 136 4.164 3.851 0.313 1
1 863 . 9 1 1 A 75 75 LEU H H 136 8.159 8.433 -0.274 1
1 864 . 9 1 1 A 75 75 LEU N N 136 118.009 123.047 -5.038 1
1 871 . 9 1 1 A 76 76 SER CA C 137 58.446 62.362 -3.916 1
1 872 . 9 1 1 A 76 76 SER CB C 137 63.709 63.104 0.605 1
1 873 . 9 1 1 A 76 76 SER HA H 137 4.808 4.270 0.538 1
1 876 . 9 1 1 A 76 76 SER H H 137 7.713 8.134 -0.421 1
1 877 . 9 1 1 A 76 76 SER N N 137 111.428 114.401 -2.973 1
1 878 . 9 1 1 A 77 77 GLY CA C 138 46.311 47.162 -0.851 1
1 879 . 9 1 1 A 77 77 GLY HA2 H 138 4.815 3.902 0.913 1
1 880 . 9 1 1 A 77 77 GLY HA3 H 138 3.860 3.903 -0.043 1
1 881 . 9 1 1 A 77 77 GLY H H 138 7.779 8.662 -0.883 1
1 882 . 9 1 1 A 77 77 GLY N N 138 112.185 108.234 3.951 1
1 883 . 9 1 1 A 78 78 ARG CA C 139 61.186 56.844 4.342 1
1 884 . 9 1 1 A 78 78 ARG CB C 139 29.871 31.127 -1.256 1
1 887 . 9 1 1 A 78 78 ARG HA H 139 3.853 4.599 -0.746 1
1 892 . 9 1 1 A 78 78 ARG H H 139 8.311 8.492 -0.181 1
1 893 . 9 1 1 A 78 78 ARG N N 139 121.172 120.086 1.086 1
1 895 . 9 1 1 A 79 79 ASP CA C 140 57.533 56.669 0.864 1
1 896 . 9 1 1 A 79 79 ASP CB C 140 39.905 40.800 -0.895 1
1 897 . 9 1 1 A 79 79 ASP HA H 140 4.630 4.507 0.123 1
1 900 . 9 1 1 A 79 79 ASP H H 140 8.749 8.089 0.660 1
1 901 . 9 1 1 A 79 79 ASP N N 140 114.843 118.270 -3.427 1
1 902 . 9 1 1 A 80 80 ILE CA C 141 63.732 64.374 -0.642 1
1 903 . 9 1 1 A 80 80 ILE CB C 141 38.239 37.122 1.117 1
1 907 . 9 1 1 A 80 80 ILE HA H 141 4.070 3.743 0.327 1
1 911 . 9 1 1 A 80 80 ILE H H 141 7.565 7.963 -0.398 1
1 912 . 9 1 1 A 80 80 ILE N N 141 121.986 120.903 1.083 1
1 919 . 9 1 1 A 81 81 ILE CA C 142 66.387 65.304 1.083 1
1 920 . 9 1 1 A 81 81 ILE CB C 142 38.194 37.882 0.312 1
1 924 . 9 1 1 A 81 81 ILE HA H 142 3.531 3.556 -0.025 1
1 928 . 9 1 1 A 81 81 ILE H H 142 8.309 8.120 0.189 1
1 929 . 9 1 1 A 81 81 ILE N N 142 121.735 121.812 -0.077 1
1 936 . 9 1 1 A 82 82 ASN CA C 143 56.121 55.835 0.286 1
1 937 . 9 1 1 A 82 82 ASN CB C 143 38.023 37.668 0.355 1
1 938 . 9 1 1 A 82 82 ASN HA H 143 4.369 4.449 -0.080 1
1 941 . 9 1 1 A 82 82 ASN H H 143 8.919 8.445 0.474 1
1 942 . 9 1 1 A 82 82 ASN N N 143 118.128 117.820 0.308 1
1 946 . 9 1 1 A 83 83 ALA CA C 144 55.230 55.031 0.199 1
1 947 . 9 1 1 A 83 83 ALA CB C 144 18.378 18.174 0.204 1
1 948 . 9 1 1 A 83 83 ALA HA H 144 4.310 3.957 0.353 1
1 949 . 9 1 1 A 83 83 ALA H H 144 7.687 8.183 -0.496 1
1 950 . 9 1 1 A 83 83 ALA N N 144 122.048 121.835 0.213 1
1 954 . 9 1 1 A 84 84 ARG CA C 145 58.842 59.455 -0.613 1
1 955 . 9 1 1 A 84 84 ARG CB C 145 30.415 30.541 -0.126 1
1 958 . 9 1 1 A 84 84 ARG HA H 145 4.297 4.151 0.146 1
1 963 . 9 1 1 A 84 84 ARG H H 145 8.579 7.437 1.142 1
1 964 . 9 1 1 A 84 84 ARG N N 145 119.430 118.162 1.268 1
1 966 . 9 1 1 A 85 85 LEU CA C 146 57.861 57.867 -0.006 1
1 967 . 9 1 1 A 85 85 LEU CB C 146 41.584 41.339 0.245 1
1 971 . 9 1 1 A 85 85 LEU HA H 146 4.054 3.899 0.155 1
1 975 . 9 1 1 A 85 85 LEU H H 146 9.083 7.931 1.152 1
1 976 . 9 1 1 A 85 85 LEU N N 146 119.149 120.332 -1.183 1
1 983 . 9 1 1 A 86 86 ARG CA C 147 60.723 59.691 1.032 1
1 984 . 9 1 1 A 86 86 ARG CB C 147 29.549 29.927 -0.378 1
1 987 . 9 1 1 A 86 86 ARG HA H 147 3.774 3.807 -0.033 1
1 992 . 9 1 1 A 86 86 ARG H H 147 7.971 8.109 -0.138 1
1 993 . 9 1 1 A 86 86 ARG N N 147 118.395 119.695 -1.300 1
1 995 . 9 1 1 A 87 87 GLU CA C 148 59.392 59.290 0.102 1
1 996 . 9 1 1 A 87 87 GLU CB C 148 29.740 29.607 0.133 1
1 998 . 9 1 1 A 87 87 GLU HA H 148 4.120 4.085 0.035 1
1 1003 . 9 1 1 A 87 87 GLU H H 148 7.895 8.060 -0.165 1
1 1004 . 9 1 1 A 87 87 GLU N N 148 116.934 118.855 -1.921 1
1 1005 . 9 1 1 A 88 88 GLU CA C 149 58.455 59.240 -0.785 1
1 1006 . 9 1 1 A 88 88 GLU CB C 149 29.306 29.432 -0.126 1
1 1008 . 9 1 1 A 88 88 GLU HA H 149 4.279 3.982 0.297 1
1 1013 . 9 1 1 A 88 88 GLU H H 149 8.228 8.098 0.130 1
1 1014 . 9 1 1 A 88 88 GLU N N 149 116.458 120.109 -3.651 1
1 1015 . 9 1 1 A 89 89 LEU CA C 150 57.767 57.995 -0.228 1
1 1016 . 9 1 1 A 89 89 LEU CB C 150 42.450 41.312 1.138 1
1 1020 . 9 1 1 A 89 89 LEU HA H 150 4.239 3.938 0.301 1
1 1024 . 9 1 1 A 89 89 LEU H H 150 8.401 8.077 0.324 1
1 1025 . 9 1 1 A 89 89 LEU N N 150 117.854 120.471 -2.617 1
1 1032 . 9 1 1 A 90 90 ASP CA C 151 56.503 56.384 0.119 1
1 1033 . 9 1 1 A 90 90 ASP CB C 151 42.435 41.015 1.420 1
1 1034 . 9 1 1 A 90 90 ASP HA H 151 5.034 4.637 0.397 1
1 1037 . 9 1 1 A 90 90 ASP H H 151 8.524 7.938 0.586 1
1 1038 . 9 1 1 A 90 90 ASP N N 151 118.978 118.960 0.018 1
1 1039 . 9 1 1 A 91 91 LYS CA C 152 58.455 57.278 1.177 1
1 1040 . 9 1 1 A 91 91 LYS CB C 152 33.021 33.159 -0.138 1
1 1044 . 9 1 1 A 91 91 LYS HA H 152 4.279 4.297 -0.018 1
1 1049 . 9 1 1 A 91 91 LYS H H 152 7.348 7.793 -0.445 1
1 1050 . 9 1 1 A 91 91 LYS N N 152 114.172 115.873 -1.701 1
1 1053 . 9 1 1 A 92 92 ILE CA C 153 61.448 60.574 0.874 1
1 1054 . 9 1 1 A 92 92 ILE CB C 153 39.068 37.231 1.837 1
1 1058 . 9 1 1 A 92 92 ILE HA H 153 4.427 3.994 0.433 1
1 1062 . 9 1 1 A 92 92 ILE H H 153 7.597 7.811 -0.214 1
1 1063 . 9 1 1 A 92 92 ILE N N 153 114.441 116.689 -2.248 1
1 1070 . 9 1 1 A 93 93 THR CA C 154 65.433 61.880 3.553 1
1 1071 . 9 1 1 A 93 93 THR CB C 154 67.799 70.411 -2.612 1
1 1073 . 9 1 1 A 93 93 THR HA H 154 3.879 4.360 -0.481 1
1 1075 . 9 1 1 A 93 93 THR H H 154 8.195 7.340 0.855 1
1 1076 . 9 1 1 A 93 93 THR N N 154 110.253 112.494 -2.241 1
1 1080 . 9 1 1 A 94 94 ASP CA C 155 57.822 56.550 1.272 1
1 1081 . 9 1 1 A 94 94 ASP CB C 155 41.397 39.801 1.596 1
1 1082 . 9 1 1 A 94 94 ASP HA H 155 4.514 4.331 0.183 1
1 1085 . 9 1 1 A 94 94 ASP H H 155 8.474 8.366 0.108 1
1 1086 . 9 1 1 A 94 94 ASP N N 155 124.348 121.555 2.793 1
1 1087 . 9 1 1 A 95 95 ARG CA C 156 57.783 57.840 -0.057 1
1 1088 . 9 1 1 A 95 95 ARG CB C 156 29.386 29.662 -0.276 1
1 1091 . 9 1 1 A 95 95 ARG HA H 156 4.173 4.201 -0.028 1
1 1096 . 9 1 1 A 95 95 ARG H H 156 7.680 8.301 -0.621 1
1 1097 . 9 1 1 A 95 95 ARG N N 156 117.839 118.634 -0.795 1
1 1099 . 9 1 1 A 96 96 TRP CB C 157 29.856 29.849 0.007 1
1 1105 . 9 1 1 A 96 96 TRP HA H 157 4.943 4.822 0.121 1
1 1112 . 9 1 1 A 96 96 TRP H H 157 7.880 7.789 0.091 1
1 1115 . 9 1 1 A 96 96 TRP N N 157 117.944 118.899 -0.955 1
1 1117 . 9 1 1 A 97 97 GLY CA C 158 46.688 46.198 0.490 1
1 1118 . 9 1 1 A 97 97 GLY HA2 H 158 4.411 4.030 0.381 1
1 1119 . 9 1 1 A 97 97 GLY HA3 H 158 4.249 4.047 0.202 1
1 1120 . 9 1 1 A 97 97 GLY H H 158 7.972 8.343 -0.371 1
1 1121 . 9 1 1 A 97 97 GLY N N 158 104.253 109.203 -4.950 1
1 1122 . 9 1 1 A 98 98 VAL CA C 159 60.417 60.780 -0.363 1
1 1123 . 9 1 1 A 98 98 VAL CB C 159 36.365 34.509 1.856 1
1 1126 . 9 1 1 A 98 98 VAL HA H 159 5.012 4.714 0.298 1
1 1128 . 9 1 1 A 98 98 VAL H H 159 7.468 7.979 -0.511 1
1 1129 . 9 1 1 A 98 98 VAL N N 159 115.979 121.845 -5.866 1
1 1136 . 9 1 1 A 99 99 LYS CA C 160 53.521 54.230 -0.709 1
1 1137 . 9 1 1 A 99 99 LYS CB C 160 36.083 36.379 -0.296 1
1 1141 . 9 1 1 A 99 99 LYS HA H 160 5.053 5.030 0.023 1
1 1148 . 9 1 1 A 99 99 LYS H H 160 9.259 8.957 0.302 1
1 1149 . 9 1 1 A 99 99 LYS N N 160 126.977 121.826 5.151 1
1 1151 . 9 1 1 A 100 100 ILE CB C 161 35.185 37.137 -1.952 1
1 1155 . 9 1 1 A 100 100 ILE HA H 161 4.896 4.598 0.298 1
1 1159 . 9 1 1 A 100 100 ILE H H 161 9.310 9.007 0.303 1
1 1160 . 9 1 1 A 100 100 ILE N N 161 127.468 123.969 3.499 1
1 1167 . 9 1 1 A 101 101 THR CA C 162 63.075 65.585 -2.510 1
1 1168 . 9 1 1 A 101 101 THR CB C 162 67.345 68.665 -1.320 1
1 1170 . 9 1 1 A 101 101 THR HA H 162 4.254 4.054 0.200 1
1 1172 . 9 1 1 A 101 101 THR H H 162 8.783 8.476 0.307 1
1 1173 . 9 1 1 A 101 101 THR N N 162 120.609 120.561 0.048 1
1 1177 . 9 1 1 A 102 102 ARG CA C 163 55.929 54.907 1.022 1
1 1178 . 9 1 1 A 102 102 ARG CB C 163 32.468 32.113 0.355 1
1 1181 . 9 1 1 A 102 102 ARG HA H 163 4.606 4.678 -0.072 1
1 1188 . 9 1 1 A 102 102 ARG H H 163 7.669 7.672 -0.003 1
1 1189 . 9 1 1 A 102 102 ARG N N 163 118.258 118.415 -0.157 1
1 1190 . 9 1 1 A 103 103 VAL CB C 164 35.090 35.661 -0.571 1
1 1193 . 9 1 1 A 103 103 VAL HA H 164 4.886 4.706 0.180 1
1 1195 . 9 1 1 A 103 103 VAL H H 164 8.700 8.301 0.399 1
1 1196 . 9 1 1 A 103 103 VAL N N 164 122.135 119.211 2.924 1
1 1203 . 9 1 1 A 104 104 GLU CA C 165 54.469 54.509 -0.040 1
1 1204 . 9 1 1 A 104 104 GLU CB C 165 33.028 33.175 -0.147 1
1 1206 . 9 1 1 A 104 104 GLU HA H 165 4.835 4.993 -0.158 1
1 1209 . 9 1 1 A 104 104 GLU H H 165 9.011 8.614 0.397 1
1 1210 . 9 1 1 A 104 104 GLU N N 165 123.789 125.639 -1.850 1
1 1212 . 9 1 1 A 105 105 ILE CA C 166 61.576 59.925 1.651 1
1 1213 . 9 1 1 A 105 105 ILE CB C 166 37.908 40.005 -2.097 1
1 1217 . 9 1 1 A 105 105 ILE HA H 166 4.525 4.692 -0.167 1
1 1219 . 9 1 1 A 105 105 ILE H H 166 9.869 8.795 1.074 1
1 1220 . 9 1 1 A 105 105 ILE N N 166 130.058 124.373 5.685 1
1 1229 . 9 1 1 A 106 106 GLN CA C 167 55.964 54.283 1.681 1
1 1230 . 9 1 1 A 106 106 GLN CB C 167 28.789 30.497 -1.708 1
1 1232 . 9 1 1 A 106 106 GLN HA H 167 4.661 4.631 0.030 1
1 1239 . 9 1 1 A 106 106 GLN H H 167 8.573 8.429 0.144 1
1 1240 . 9 1 1 A 106 106 GLN N N 167 127.576 125.706 1.870 1
1 1242 . 9 1 1 A 107 107 ARG CA C 168 56.113 56.781 -0.668 1
1 1243 . 9 1 1 A 107 107 ARG CB C 168 32.098 30.841 1.257 1
1 1246 . 9 1 1 A 107 107 ARG HA H 168 4.468 4.278 0.190 1
1 1251 . 9 1 1 A 107 107 ARG H H 168 8.762 8.174 0.588 1
1 1252 . 9 1 1 A 107 107 ARG N N 168 122.725 121.852 0.873 1
1 1254 . 9 1 1 A 108 108 ILE CA C 169 61.618 59.659 1.959 1
1 1255 . 9 1 1 A 108 108 ILE CB C 169 39.583 41.148 -1.565 1
1 1259 . 9 1 1 A 108 108 ILE HA H 169 4.451 4.889 -0.438 1
1 1263 . 9 1 1 A 108 108 ILE H H 169 7.996 8.343 -0.347 1
1 1264 . 9 1 1 A 108 108 ILE N N 169 120.383 125.098 -4.715 1
1 1271 . 9 1 1 A 109 109 ASP CA C 170 51.571 49.984 1.587 1
1 1272 . 9 1 1 A 109 109 ASP CB C 170 42.763 42.308 0.455 1
1 1273 . 9 1 1 A 109 109 ASP HA H 170 5.579 5.115 0.464 1
1 1276 . 9 1 1 A 109 109 ASP H H 170 9.067 8.700 0.367 1
1 1277 . 9 1 1 A 109 109 ASP N N 170 126.604 124.062 2.542 1
1 1278 . 9 1 1 A 110 110 PRO CA C 171 61.302 61.413 -0.111 1
1 1279 . 9 1 1 A 110 110 PRO CB C 171 30.857 31.343 -0.486 1
1 1282 . 9 1 1 A 110 110 PRO HA H 171 5.081 4.719 0.362 1
1 1288 . 9 1 1 A 111 111 PRO CA C 172 63.367 62.589 0.778 1
1 1289 . 9 1 1 A 111 111 PRO CB C 172 32.050 31.936 0.114 1
1 1292 . 9 1 1 A 111 111 PRO HA H 172 4.568 4.591 -0.023 1
1 1298 . 9 1 1 A 112 112 LYS CA C 173 55.951 55.224 0.727 1
1 1299 . 9 1 1 A 112 112 LYS CB C 173 33.412 33.374 0.038 1
1 1303 . 9 1 1 A 112 112 LYS HA H 173 4.465 4.483 -0.018 1
1 1306 . 9 1 1 A 112 112 LYS H H 173 8.533 8.315 0.218 1
1 1307 . 9 1 1 A 112 112 LYS N N 173 122.499 118.772 3.727 1
1 1 . 10 1 1 A 2 2 SER HA H 63 4.660 4.553 0.107 1
1 4 . 10 1 1 A 2 2 SER CB C 63 63.645 65.088 -1.443 1
1 5 . 10 1 1 A 3 3 ASP HA H 64 4.688 4.550 0.138 1
1 8 . 10 1 1 A 3 3 ASP H H 64 8.603 8.595 0.008 1
1 9 . 10 1 1 A 3 3 ASP CA C 64 54.354 54.579 -0.225 1
1 10 . 10 1 1 A 3 3 ASP CB C 64 40.980 41.834 -0.854 1
1 11 . 10 1 1 A 3 3 ASP N N 64 122.069 124.418 -2.349 1
1 12 . 10 1 1 A 4 4 HIS HA H 65 4.735 4.793 -0.058 1
1 17 . 10 1 1 A 4 4 HIS H H 65 8.354 8.556 -0.202 1
1 18 . 10 1 1 A 4 4 HIS CA C 65 56.220 54.803 1.417 1
1 19 . 10 1 1 A 4 4 HIS CB C 65 30.570 30.364 0.206 1
1 22 . 10 1 1 A 4 4 HIS N N 65 119.219 123.998 -4.779 1
1 29 . 10 1 1 A 5 5 VAL HA H 66 4.183 4.410 -0.227 1
1 31 . 10 1 1 A 5 5 VAL H H 66 8.073 8.936 -0.863 1
1 32 . 10 1 1 A 5 5 VAL CA C 66 62.127 61.151 0.976 1
1 33 . 10 1 1 A 5 5 VAL CB C 66 32.960 33.897 -0.937 1
1 36 . 10 1 1 A 5 5 VAL N N 66 121.775 128.619 -6.844 1
1 37 . 10 1 1 A 6 6 ASP CA C 67 53.727 53.540 0.187 1
1 38 . 10 1 1 A 6 6 ASP CB C 67 41.472 40.404 1.068 1
1 39 . 10 1 1 A 6 6 ASP HA H 67 4.771 4.753 0.018 1
1 42 . 10 1 1 A 6 6 ASP H H 67 8.615 8.850 -0.235 1
1 43 . 10 1 1 A 6 6 ASP N N 67 124.725 128.228 -3.503 1
1 44 . 10 1 1 A 7 7 LEU CA C 68 54.586 57.365 -2.779 1
1 45 . 10 1 1 A 7 7 LEU CB C 68 41.657 41.780 -0.123 1
1 49 . 10 1 1 A 7 7 LEU HA H 68 4.556 3.961 0.595 1
1 53 . 10 1 1 A 7 7 LEU H H 68 8.441 8.490 -0.049 1
1 54 . 10 1 1 A 7 7 LEU N N 68 123.747 126.429 -2.682 1
1 61 . 10 1 1 A 8 8 ARG CA C 69 56.247 56.238 0.009 1
1 62 . 10 1 1 A 8 8 ARG CB C 69 30.828 30.418 0.410 1
1 65 . 10 1 1 A 8 8 ARG HA H 69 4.253 4.122 0.131 1
1 70 . 10 1 1 A 8 8 ARG H H 69 8.209 7.410 0.799 1
1 71 . 10 1 1 A 8 8 ARG N N 69 121.063 118.611 2.452 1
1 73 . 10 1 1 A 9 9 GLU CA C 70 55.691 54.406 1.285 1
1 74 . 10 1 1 A 9 9 GLU CB C 70 31.777 32.954 -1.177 1
1 76 . 10 1 1 A 9 9 GLU HA H 70 4.655 4.665 -0.010 1
1 79 . 10 1 1 A 9 9 GLU H H 70 8.338 8.509 -0.171 1
1 80 . 10 1 1 A 9 9 GLU N N 70 121.677 120.284 1.393 1
1 82 . 10 1 1 A 10 10 HIS CA C 71 54.619 54.033 0.586 1
1 83 . 10 1 1 A 10 10 HIS CB C 71 32.189 31.958 0.231 1
1 86 . 10 1 1 A 10 10 HIS HA H 71 4.716 4.946 -0.230 1
1 91 . 10 1 1 A 10 10 HIS H H 71 9.043 8.847 0.196 1
1 92 . 10 1 1 A 10 10 HIS N N 71 125.575 119.621 5.954 1
1 93 . 10 1 1 A 11 11 VAL CA C 72 60.567 60.203 0.364 1
1 94 . 10 1 1 A 11 11 VAL CB C 72 35.380 34.016 1.364 1
1 97 . 10 1 1 A 11 11 VAL HA H 72 4.951 4.726 0.225 1
1 99 . 10 1 1 A 11 11 VAL H H 72 8.218 8.695 -0.477 1
1 100 . 10 1 1 A 11 11 VAL N N 72 117.348 122.383 -5.035 1
1 107 . 10 1 1 A 12 12 ILE CA C 73 59.857 59.998 -0.141 1
1 108 . 10 1 1 A 12 12 ILE CB C 73 41.969 38.890 3.079 1
1 112 . 10 1 1 A 12 12 ILE HA H 73 4.464 4.914 -0.450 1
1 116 . 10 1 1 A 12 12 ILE H H 73 9.272 9.052 0.220 1
1 117 . 10 1 1 A 12 12 ILE N N 73 126.908 129.556 -2.648 1
1 124 . 10 1 1 A 13 13 ASP CB C 74 41.534 40.825 0.709 1
1 125 . 10 1 1 A 13 13 ASP HA H 74 4.885 4.952 -0.067 1
1 128 . 10 1 1 A 13 13 ASP H H 74 8.501 8.962 -0.461 1
1 129 . 10 1 1 A 13 13 ASP N N 74 126.253 128.686 -2.433 1
1 130 . 10 1 1 A 14 14 VAL CA C 75 59.550 59.858 -0.308 1
1 131 . 10 1 1 A 14 14 VAL CB C 75 32.270 33.710 -1.440 1
1 134 . 10 1 1 A 14 14 VAL HA H 75 4.491 4.682 -0.191 1
1 136 . 10 1 1 A 14 14 VAL H H 75 8.758 8.944 -0.186 1
1 137 . 10 1 1 A 14 14 VAL N N 75 124.997 125.603 -0.606 1
1 144 . 10 1 1 A 15 15 PRO CB C 76 30.981 31.769 -0.788 1
1 147 . 10 1 1 A 15 15 PRO HA H 76 4.837 4.656 0.181 1
1 153 . 10 1 1 A 16 16 PRO CB C 77 32.267 33.080 -0.813 1
1 156 . 10 1 1 A 16 16 PRO HA H 77 4.881 4.810 0.071 1
1 162 . 10 1 1 A 17 17 GLN CA C 78 53.332 54.916 -1.584 1
1 163 . 10 1 1 A 17 17 GLN CB C 78 33.352 32.239 1.113 1
1 165 . 10 1 1 A 17 17 GLN HA H 78 4.768 4.605 0.163 1
1 170 . 10 1 1 A 17 17 GLN H H 78 8.612 8.266 0.346 1
1 171 . 10 1 1 A 17 17 GLN N N 78 119.550 121.557 -2.007 1
1 175 . 10 1 1 A 18 18 GLU CA C 79 55.955 56.614 -0.659 1
1 176 . 10 1 1 A 18 18 GLU CB C 79 30.087 30.243 -0.156 1
1 178 . 10 1 1 A 18 18 GLU HA H 79 5.070 4.723 0.347 1
1 183 . 10 1 1 A 18 18 GLU H H 79 8.626 8.755 -0.129 1
1 184 . 10 1 1 A 18 18 GLU N N 79 123.226 126.894 -3.668 1
1 185 . 10 1 1 A 19 19 VAL CA C 80 60.191 60.653 -0.462 1
1 186 . 10 1 1 A 19 19 VAL CB C 80 34.901 34.961 -0.060 1
1 189 . 10 1 1 A 19 19 VAL HA H 80 4.562 4.637 -0.075 1
1 191 . 10 1 1 A 19 19 VAL H H 80 9.568 8.267 1.301 1
1 192 . 10 1 1 A 19 19 VAL N N 80 123.365 124.594 -1.229 1
1 199 . 10 1 1 A 20 20 ILE CA C 81 60.810 61.671 -0.861 1
1 200 . 10 1 1 A 20 20 ILE CB C 81 39.198 37.219 1.979 1
1 204 . 10 1 1 A 20 20 ILE HA H 81 4.678 4.054 0.624 1
1 208 . 10 1 1 A 20 20 ILE H H 81 8.048 8.696 -0.648 1
1 209 . 10 1 1 A 20 20 ILE N N 81 122.564 128.294 -5.730 1
1 216 . 10 1 1 A 21 21 CYS CB C 82 29.386 28.835 0.551 1
1 217 . 10 1 1 A 21 21 CYS HA H 82 4.932 4.479 0.453 1
1 220 . 10 1 1 A 21 21 CYS H H 82 8.796 8.746 0.050 1
1 221 . 10 1 1 A 21 21 CYS N N 82 125.960 126.653 -0.693 1
1 222 . 10 1 1 A 22 22 LYS CA C 83 59.330 58.932 0.398 1
1 223 . 10 1 1 A 22 22 LYS CB C 83 33.478 32.354 1.124 1
1 227 . 10 1 1 A 22 22 LYS HA H 83 4.096 4.033 0.063 1
1 234 . 10 1 1 A 22 22 LYS H H 83 8.735 8.613 0.122 1
1 235 . 10 1 1 A 22 22 LYS N N 83 123.785 125.200 -1.415 1
1 237 . 10 1 1 A 23 23 ASP CA C 84 53.011 53.222 -0.211 1
1 238 . 10 1 1 A 23 23 ASP CB C 84 38.642 40.706 -2.064 1
1 239 . 10 1 1 A 23 23 ASP HA H 84 4.694 4.768 -0.074 1
1 242 . 10 1 1 A 23 23 ASP H H 84 8.667 7.734 0.933 1
1 243 . 10 1 1 A 23 23 ASP N N 84 112.676 117.975 -5.299 1
1 244 . 10 1 1 A 24 24 ASN CA C 85 54.989 54.109 0.880 1
1 245 . 10 1 1 A 24 24 ASN CB C 85 36.698 37.198 -0.500 1
1 246 . 10 1 1 A 24 24 ASN HA H 85 4.321 4.388 -0.067 1
1 251 . 10 1 1 A 24 24 ASN H H 85 8.264 7.720 0.544 1
1 252 . 10 1 1 A 24 24 ASN N N 85 112.321 117.613 -5.292 1
1 254 . 10 1 1 A 25 25 VAL CA C 86 61.920 61.050 0.870 1
1 255 . 10 1 1 A 25 25 VAL CB C 86 33.581 33.611 -0.030 1
1 258 . 10 1 1 A 25 25 VAL HA H 86 4.247 4.372 -0.125 1
1 260 . 10 1 1 A 25 25 VAL H H 86 6.817 7.639 -0.822 1
1 261 . 10 1 1 A 25 25 VAL N N 86 117.663 118.938 -1.275 1
1 268 . 10 1 1 A 26 26 VAL CA C 87 62.127 62.965 -0.838 1
1 269 . 10 1 1 A 26 26 VAL CB C 87 32.468 30.959 1.509 1
1 272 . 10 1 1 A 26 26 VAL HA H 87 4.710 4.303 0.407 1
1 274 . 10 1 1 A 26 26 VAL H H 87 8.467 8.637 -0.170 1
1 275 . 10 1 1 A 26 26 VAL N N 87 128.149 127.879 0.270 1
1 282 . 10 1 1 A 27 27 VAL CA C 88 58.409 59.097 -0.688 1
1 283 . 10 1 1 A 27 27 VAL CB C 88 34.991 36.007 -1.016 1
1 286 . 10 1 1 A 27 27 VAL HA H 88 4.995 5.045 -0.050 1
1 288 . 10 1 1 A 27 27 VAL H H 88 8.983 8.842 0.141 1
1 289 . 10 1 1 A 27 27 VAL N N 88 119.421 120.774 -1.353 1
1 296 . 10 1 1 A 28 28 THR CA C 89 62.180 61.944 0.236 1
1 297 . 10 1 1 A 28 28 THR CB C 89 69.351 69.800 -0.449 1
1 299 . 10 1 1 A 28 28 THR HA H 89 5.249 4.928 0.321 1
1 301 . 10 1 1 A 28 28 THR H H 89 8.544 8.169 0.375 1
1 302 . 10 1 1 A 28 28 THR N N 89 118.810 118.131 0.679 1
1 306 . 10 1 1 A 29 29 VAL CA C 90 58.826 59.935 -1.109 1
1 307 . 10 1 1 A 29 29 VAL CB C 90 36.035 34.211 1.824 1
1 310 . 10 1 1 A 29 29 VAL HA H 90 5.527 4.842 0.685 1
1 312 . 10 1 1 A 29 29 VAL H H 90 8.818 9.026 -0.208 1
1 313 . 10 1 1 A 29 29 VAL N N 90 123.670 128.038 -4.368 1
1 320 . 10 1 1 A 30 30 ASP CA C 91 52.821 52.579 0.242 1
1 321 . 10 1 1 A 30 30 ASP CB C 91 42.960 44.456 -1.496 1
1 322 . 10 1 1 A 30 30 ASP HA H 91 4.785 5.651 -0.866 1
1 325 . 10 1 1 A 30 30 ASP H H 91 8.478 9.092 -0.614 1
1 326 . 10 1 1 A 30 30 ASP N N 91 125.411 127.346 -1.935 1
1 327 . 10 1 1 A 31 31 ALA CA C 92 51.718 51.265 0.453 1
1 328 . 10 1 1 A 31 31 ALA CB C 92 22.216 23.886 -1.670 1
1 329 . 10 1 1 A 31 31 ALA HA H 92 5.268 4.926 0.342 1
1 330 . 10 1 1 A 31 31 ALA H H 92 8.075 8.649 -0.574 1
1 331 . 10 1 1 A 31 31 ALA N N 92 116.806 121.746 -4.940 1
1 335 . 10 1 1 A 32 32 VAL CB C 93 34.772 34.809 -0.037 1
1 338 . 10 1 1 A 32 32 VAL HA H 93 4.901 5.075 -0.174 1
1 340 . 10 1 1 A 32 32 VAL H H 93 8.306 8.692 -0.386 1
1 341 . 10 1 1 A 32 32 VAL N N 93 117.482 112.988 4.494 1
1 348 . 10 1 1 A 33 33 VAL CA C 94 61.058 61.196 -0.138 1
1 349 . 10 1 1 A 33 33 VAL CB C 94 34.773 34.868 -0.095 1
1 352 . 10 1 1 A 33 33 VAL HA H 94 4.515 4.662 -0.147 1
1 354 . 10 1 1 A 33 33 VAL H H 94 8.873 8.659 0.214 1
1 355 . 10 1 1 A 33 33 VAL N N 94 124.653 121.506 3.147 1
1 362 . 10 1 1 A 34 34 TYR CA C 95 56.333 58.411 -2.078 1
1 363 . 10 1 1 A 34 34 TYR CB C 95 40.336 40.209 0.127 1
1 366 . 10 1 1 A 34 34 TYR HA H 95 5.834 5.351 0.483 1
1 371 . 10 1 1 A 34 34 TYR H H 95 8.989 8.726 0.263 1
1 372 . 10 1 1 A 34 34 TYR N N 95 126.081 126.796 -0.715 1
1 375 . 10 1 1 A 35 35 TYR CA C 96 55.679 56.605 -0.926 1
1 376 . 10 1 1 A 35 35 TYR CB C 96 42.824 41.174 1.650 1
1 379 . 10 1 1 A 35 35 TYR HA H 96 6.097 5.478 0.619 1
1 384 . 10 1 1 A 35 35 TYR H H 96 9.102 8.271 0.831 1
1 385 . 10 1 1 A 35 35 TYR N N 96 117.188 118.847 -1.659 1
1 388 . 10 1 1 A 36 36 GLN CB C 97 33.643 32.309 1.334 1
1 390 . 10 1 1 A 36 36 GLN HA H 97 4.942 4.948 -0.006 1
1 395 . 10 1 1 A 36 36 GLN H H 97 9.441 8.478 0.963 1
1 396 . 10 1 1 A 36 36 GLN N N 97 118.000 119.626 -1.626 1
1 399 . 10 1 1 A 37 37 VAL CA C 98 63.621 63.246 0.375 1
1 400 . 10 1 1 A 37 37 VAL CB C 98 31.380 30.582 0.798 1
1 403 . 10 1 1 A 37 37 VAL HA H 98 4.286 4.100 0.186 1
1 405 . 10 1 1 A 37 37 VAL H H 98 9.692 9.010 0.682 1
1 406 . 10 1 1 A 37 37 VAL N N 98 126.436 123.381 3.055 1
1 413 . 10 1 1 A 38 38 ILE CA C 99 61.011 62.501 -1.490 1
1 414 . 10 1 1 A 38 38 ILE CB C 99 38.943 38.292 0.651 1
1 418 . 10 1 1 A 38 38 ILE HA H 99 4.514 4.157 0.357 1
1 422 . 10 1 1 A 38 38 ILE H H 99 8.540 8.181 0.359 1
1 423 . 10 1 1 A 38 38 ILE N N 99 123.480 123.972 -0.492 1
1 430 . 10 1 1 A 39 39 ASP CA C 100 50.850 51.119 -0.269 1
1 431 . 10 1 1 A 39 39 ASP CB C 100 41.979 41.761 0.218 1
1 432 . 10 1 1 A 39 39 ASP HA H 100 5.326 4.996 0.330 1
1 435 . 10 1 1 A 39 39 ASP H H 100 8.135 7.871 0.264 1
1 436 . 10 1 1 A 39 39 ASP N N 100 119.056 123.029 -3.973 1
1 437 . 10 1 1 A 40 40 PRO CA C 101 64.279 63.931 0.348 1
1 438 . 10 1 1 A 40 40 PRO CB C 101 32.510 31.807 0.703 1
1 441 . 10 1 1 A 40 40 PRO HA H 101 4.299 4.374 -0.075 1
1 448 . 10 1 1 A 41 41 VAL CA C 102 65.120 65.368 -0.248 1
1 449 . 10 1 1 A 41 41 VAL CB C 102 31.406 31.678 -0.272 1
1 452 . 10 1 1 A 41 41 VAL HA H 102 3.886 3.780 0.106 1
1 454 . 10 1 1 A 41 41 VAL H H 102 7.936 7.452 0.484 1
1 455 . 10 1 1 A 41 41 VAL N N 102 118.168 117.124 1.044 1
1 462 . 10 1 1 A 42 42 LYS CA C 103 57.852 57.734 0.118 1
1 463 . 10 1 1 A 42 42 LYS CB C 103 33.597 33.091 0.506 1
1 467 . 10 1 1 A 42 42 LYS HA H 103 4.242 4.287 -0.045 1
1 472 . 10 1 1 A 42 42 LYS H H 103 7.240 7.982 -0.742 1
1 473 . 10 1 1 A 42 42 LYS N N 103 118.280 119.399 -1.119 1
1 476 . 10 1 1 A 43 43 ALA CA C 104 53.615 51.372 2.243 1
1 477 . 10 1 1 A 43 43 ALA CB C 104 18.578 19.054 -0.476 1
1 478 . 10 1 1 A 43 43 ALA HA H 104 4.632 4.138 0.494 1
1 479 . 10 1 1 A 43 43 ALA H H 104 7.702 7.358 0.344 1
1 480 . 10 1 1 A 43 43 ALA N N 104 122.122 121.428 0.694 1
1 484 . 10 1 1 A 44 44 VAL CA C 105 62.530 62.721 -0.191 1
1 485 . 10 1 1 A 44 44 VAL CB C 105 31.680 31.993 -0.313 1
1 488 . 10 1 1 A 44 44 VAL HA H 105 4.197 4.167 0.030 1
1 490 . 10 1 1 A 44 44 VAL H H 105 7.682 7.620 0.062 1
1 491 . 10 1 1 A 44 44 VAL N N 105 115.037 118.074 -3.037 1
1 498 . 10 1 1 A 45 45 TYR CA C 106 57.222 57.569 -0.347 1
1 499 . 10 1 1 A 45 45 TYR CB C 106 38.651 37.875 0.776 1
1 502 . 10 1 1 A 45 45 TYR HA H 106 4.652 4.654 -0.002 1
1 505 . 10 1 1 A 45 45 TYR H H 106 7.436 7.225 0.211 1
1 506 . 10 1 1 A 45 45 TYR N N 106 118.804 119.485 -0.681 1
1 510 . 10 1 1 A 46 46 ASN CB C 107 39.028 37.008 2.020 1
1 511 . 10 1 1 A 46 46 ASN HA H 107 4.959 4.371 0.588 1
1 516 . 10 1 1 A 46 46 ASN H H 107 8.614 8.113 0.501 1
1 517 . 10 1 1 A 46 46 ASN N N 107 118.495 113.831 4.664 1
1 519 . 10 1 1 A 47 47 VAL CA C 108 65.178 63.082 2.096 1
1 520 . 10 1 1 A 47 47 VAL CB C 108 32.022 29.538 2.484 1
1 523 . 10 1 1 A 47 47 VAL HA H 108 3.952 3.688 0.264 1
1 525 . 10 1 1 A 47 47 VAL H H 108 8.342 8.060 0.282 1
1 526 . 10 1 1 A 47 47 VAL N N 108 123.377 117.752 5.625 1
1 533 . 10 1 1 A 48 48 SER CA C 109 61.473 60.674 0.799 1
1 534 . 10 1 1 A 48 48 SER CB C 109 62.248 63.459 -1.211 1
1 535 . 10 1 1 A 48 48 SER HA H 109 4.298 4.542 -0.244 1
1 536 . 10 1 1 A 48 48 SER H H 109 8.353 8.124 0.229 1
1 537 . 10 1 1 A 48 48 SER N N 109 116.439 117.823 -1.384 1
1 539 . 10 1 1 A 49 49 ASP CA C 110 56.211 57.188 -0.977 1
1 540 . 10 1 1 A 49 49 ASP CB C 110 40.691 40.084 0.607 1
1 541 . 10 1 1 A 49 49 ASP HA H 110 4.534 4.211 0.323 1
1 542 . 10 1 1 A 49 49 ASP H H 110 7.832 8.371 -0.539 1
1 543 . 10 1 1 A 49 49 ASP N N 110 121.141 121.986 -0.845 1
1 545 . 10 1 1 A 50 50 PHE CA C 111 60.009 60.838 -0.829 1
1 546 . 10 1 1 A 50 50 PHE CB C 111 38.598 39.444 -0.846 1
1 550 . 10 1 1 A 50 50 PHE HA H 111 3.486 4.215 -0.729 1
1 555 . 10 1 1 A 50 50 PHE H H 111 8.044 8.451 -0.407 1
1 557 . 10 1 1 A 50 50 PHE N N 111 122.621 122.344 0.277 1
1 560 . 10 1 1 A 51 51 LEU CA C 112 58.009 58.021 -0.012 1
1 561 . 10 1 1 A 51 51 LEU CB C 112 41.213 41.903 -0.690 1
1 565 . 10 1 1 A 51 51 LEU HA H 112 3.546 3.785 -0.239 1
1 569 . 10 1 1 A 51 51 LEU H H 112 8.046 8.269 -0.223 1
1 570 . 10 1 1 A 51 51 LEU N N 112 119.691 120.238 -0.547 1
1 577 . 10 1 1 A 52 52 MET CA C 113 57.696 57.265 0.431 1
1 578 . 10 1 1 A 52 52 MET CB C 113 32.289 31.735 0.554 1
1 581 . 10 1 1 A 52 52 MET HA H 113 4.231 4.254 -0.023 1
1 586 . 10 1 1 A 52 52 MET H H 113 7.563 8.347 -0.784 1
1 587 . 10 1 1 A 52 52 MET N N 113 115.770 116.803 -1.033 1
1 591 . 10 1 1 A 53 53 ALA CA C 114 54.815 54.349 0.466 1
1 592 . 10 1 1 A 53 53 ALA CB C 114 18.369 19.697 -1.328 1
1 593 . 10 1 1 A 53 53 ALA HA H 114 4.199 4.354 -0.155 1
1 594 . 10 1 1 A 53 53 ALA H H 114 7.878 7.641 0.237 1
1 595 . 10 1 1 A 53 53 ALA N N 114 121.804 122.483 -0.679 1
1 599 . 10 1 1 A 54 54 ILE CA C 115 63.259 64.935 -1.676 1
1 600 . 10 1 1 A 54 54 ILE CB C 115 36.127 37.421 -1.294 1
1 604 . 10 1 1 A 54 54 ILE HA H 115 3.767 3.622 0.145 1
1 608 . 10 1 1 A 54 54 ILE H H 115 8.202 8.115 0.087 1
1 609 . 10 1 1 A 54 54 ILE N N 115 118.054 118.028 0.026 1
1 616 . 10 1 1 A 55 55 VAL CA C 116 68.036 65.662 2.374 1
1 617 . 10 1 1 A 55 55 VAL CB C 116 31.463 31.368 0.095 1
1 620 . 10 1 1 A 55 55 VAL HA H 116 3.509 3.729 -0.220 1
1 622 . 10 1 1 A 55 55 VAL H H 116 7.961 7.320 0.641 1
1 623 . 10 1 1 A 55 55 VAL N N 116 121.095 116.712 4.383 1
1 630 . 10 1 1 A 56 56 LYS CA C 117 59.077 58.421 0.656 1
1 631 . 10 1 1 A 56 56 LYS CB C 117 31.997 32.436 -0.439 1
1 635 . 10 1 1 A 56 56 LYS HA H 117 4.297 4.195 0.102 1
1 638 . 10 1 1 A 56 56 LYS H H 117 8.000 7.971 0.029 1
1 639 . 10 1 1 A 56 56 LYS N N 117 118.806 121.955 -3.149 1
1 643 . 10 1 1 A 57 57 LEU CA C 118 57.515 57.365 0.150 1
1 644 . 10 1 1 A 57 57 LEU CB C 118 42.727 41.718 1.009 1
1 648 . 10 1 1 A 57 57 LEU HA H 118 4.286 4.176 0.110 1
1 652 . 10 1 1 A 57 57 LEU H H 118 8.390 7.682 0.708 1
1 653 . 10 1 1 A 57 57 LEU N N 118 120.738 118.911 1.827 1
1 660 . 10 1 1 A 58 58 ALA CA C 119 55.695 54.990 0.705 1
1 661 . 10 1 1 A 58 58 ALA CB C 119 17.984 18.273 -0.289 1
1 662 . 10 1 1 A 58 58 ALA HA H 119 4.131 3.940 0.191 1
1 663 . 10 1 1 A 58 58 ALA H H 119 9.213 8.585 0.628 1
1 664 . 10 1 1 A 58 58 ALA N N 119 123.641 122.187 1.454 1
1 668 . 10 1 1 A 59 59 GLN CA C 120 60.234 58.587 1.647 1
1 669 . 10 1 1 A 59 59 GLN CB C 120 28.353 28.551 -0.198 1
1 671 . 10 1 1 A 59 59 GLN HA H 120 3.972 4.038 -0.066 1
1 678 . 10 1 1 A 59 59 GLN H H 120 8.649 7.591 1.058 1
1 679 . 10 1 1 A 59 59 GLN N N 120 116.453 117.945 -1.492 1
1 681 . 10 1 1 A 60 60 THR CA C 121 66.360 65.912 0.448 1
1 682 . 10 1 1 A 60 60 THR CB C 121 68.868 69.182 -0.314 1
1 684 . 10 1 1 A 60 60 THR HA H 121 4.076 4.084 -0.008 1
1 686 . 10 1 1 A 60 60 THR H H 121 8.566 7.470 1.096 1
1 687 . 10 1 1 A 60 60 THR N N 121 115.479 115.897 -0.418 1
1 691 . 10 1 1 A 61 61 ASN CA C 122 57.397 56.227 1.170 1
1 692 . 10 1 1 A 61 61 ASN CB C 122 39.535 38.174 1.361 1
1 693 . 10 1 1 A 61 61 ASN HA H 122 4.626 4.467 0.159 1
1 698 . 10 1 1 A 61 61 ASN H H 122 8.433 8.088 0.345 1
1 699 . 10 1 1 A 61 61 ASN N N 122 120.652 119.091 1.561 1
1 701 . 10 1 1 A 62 62 LEU CA C 123 58.804 58.140 0.664 1
1 702 . 10 1 1 A 62 62 LEU CB C 123 42.331 41.721 0.610 1
1 706 . 10 1 1 A 62 62 LEU HA H 123 4.068 3.963 0.105 1
1 710 . 10 1 1 A 62 62 LEU H H 123 8.837 8.201 0.636 1
1 711 . 10 1 1 A 62 62 LEU N N 123 121.425 117.668 3.757 1
1 718 . 10 1 1 A 63 63 ARG CA C 124 59.647 58.953 0.694 1
1 719 . 10 1 1 A 63 63 ARG CB C 124 30.112 29.965 0.147 1
1 722 . 10 1 1 A 63 63 ARG HA H 124 4.030 4.015 0.015 1
1 727 . 10 1 1 A 63 63 ARG H H 124 7.502 8.190 -0.688 1
1 728 . 10 1 1 A 63 63 ARG N N 124 116.156 119.759 -3.603 1
1 730 . 10 1 1 A 64 64 ALA CA C 125 54.793 54.878 -0.085 1
1 731 . 10 1 1 A 64 64 ALA CB C 125 18.471 19.076 -0.605 1
1 732 . 10 1 1 A 64 64 ALA HA H 125 4.260 4.102 0.158 1
1 733 . 10 1 1 A 64 64 ALA H H 125 7.637 8.165 -0.528 1
1 734 . 10 1 1 A 64 64 ALA N N 125 121.808 122.104 -0.296 1
1 738 . 10 1 1 A 65 65 ILE CA C 126 64.917 64.645 0.272 1
1 739 . 10 1 1 A 65 65 ILE CB C 126 39.599 37.905 1.694 1
1 743 . 10 1 1 A 65 65 ILE HA H 126 3.745 3.758 -0.013 1
1 747 . 10 1 1 A 65 65 ILE H H 126 8.476 7.385 1.091 1
1 748 . 10 1 1 A 65 65 ILE N N 126 117.948 117.088 0.860 1
1 755 . 10 1 1 A 66 66 ILE CA C 127 64.704 64.951 -0.247 1
1 756 . 10 1 1 A 66 66 ILE CB C 127 37.188 37.568 -0.380 1
1 760 . 10 1 1 A 66 66 ILE HA H 127 3.826 3.732 0.094 1
1 764 . 10 1 1 A 66 66 ILE H H 127 8.130 8.552 -0.422 1
1 765 . 10 1 1 A 66 66 ILE N N 127 118.919 119.987 -1.068 1
1 772 . 10 1 1 A 67 67 GLY CA C 128 46.401 46.768 -0.367 1
1 773 . 10 1 1 A 67 67 GLY HA2 H 128 4.437 3.990 0.447 1
1 774 . 10 1 1 A 67 67 GLY HA3 H 128 3.925 3.990 -0.065 1
1 775 . 10 1 1 A 67 67 GLY H H 128 7.683 8.077 -0.394 1
1 776 . 10 1 1 A 67 67 GLY N N 128 104.485 109.285 -4.800 1
1 777 . 10 1 1 A 68 68 GLU CA C 129 55.446 55.136 0.310 1
1 778 . 10 1 1 A 68 68 GLU CB C 129 30.672 31.479 -0.807 1
1 780 . 10 1 1 A 68 68 GLU HA H 129 4.589 4.889 -0.300 1
1 785 . 10 1 1 A 68 68 GLU H H 129 7.111 8.005 -0.894 1
1 786 . 10 1 1 A 68 68 GLU N N 129 115.084 116.419 -1.335 1
1 787 . 10 1 1 A 69 69 MET CA C 130 55.238 54.616 0.622 1
1 788 . 10 1 1 A 69 69 MET CB C 130 36.559 36.528 0.031 1
1 791 . 10 1 1 A 69 69 MET HA H 130 4.763 4.823 -0.060 1
1 796 . 10 1 1 A 69 69 MET H H 130 8.414 8.607 -0.193 1
1 797 . 10 1 1 A 69 69 MET N N 130 121.732 121.490 0.242 1
1 801 . 10 1 1 A 70 70 GLU CA C 131 56.474 54.604 1.870 1
1 802 . 10 1 1 A 70 70 GLU CB C 131 30.686 32.389 -1.703 1
1 804 . 10 1 1 A 70 70 GLU HA H 131 4.354 4.872 -0.518 1
1 809 . 10 1 1 A 70 70 GLU H H 131 9.395 8.631 0.764 1
1 810 . 10 1 1 A 70 70 GLU N N 131 122.754 119.680 3.074 1
1 811 . 10 1 1 A 71 71 LEU CA C 132 59.955 58.412 1.543 1
1 812 . 10 1 1 A 71 71 LEU CB C 132 40.900 41.909 -1.009 1
1 816 . 10 1 1 A 71 71 LEU HA H 132 4.454 3.962 0.492 1
1 820 . 10 1 1 A 71 71 LEU H H 132 10.320 8.812 1.508 1
1 821 . 10 1 1 A 71 71 LEU N N 132 127.791 128.450 -0.659 1
1 828 . 10 1 1 A 72 72 ASP CA C 133 57.961 57.075 0.886 1
1 829 . 10 1 1 A 72 72 ASP CB C 133 40.031 40.847 -0.816 1
1 830 . 10 1 1 A 72 72 ASP HA H 133 4.452 4.444 0.008 1
1 831 . 10 1 1 A 72 72 ASP H H 133 9.283 8.367 0.916 1
1 832 . 10 1 1 A 72 72 ASP N N 133 117.573 118.120 -0.547 1
1 834 . 10 1 1 A 73 73 GLU CA C 134 58.070 59.437 -1.367 1
1 835 . 10 1 1 A 73 73 GLU CB C 134 30.329 29.455 0.874 1
1 837 . 10 1 1 A 73 73 GLU HA H 134 4.166 4.039 0.127 1
1 842 . 10 1 1 A 73 73 GLU H H 134 7.307 8.206 -0.899 1
1 843 . 10 1 1 A 73 73 GLU N N 134 118.947 120.072 -1.125 1
1 844 . 10 1 1 A 74 74 THR CA C 135 67.017 66.044 0.973 1
1 845 . 10 1 1 A 74 74 THR CB C 135 68.224 68.466 -0.242 1
1 847 . 10 1 1 A 74 74 THR HA H 135 3.966 4.212 -0.246 1
1 849 . 10 1 1 A 74 74 THR H H 135 8.334 8.572 -0.238 1
1 850 . 10 1 1 A 74 74 THR N N 135 116.702 114.245 2.457 1
1 854 . 10 1 1 A 75 75 LEU CA C 136 57.604 57.582 0.022 1
1 855 . 10 1 1 A 75 75 LEU CB C 136 41.375 41.952 -0.577 1
1 859 . 10 1 1 A 75 75 LEU HA H 136 4.164 4.081 0.083 1
1 863 . 10 1 1 A 75 75 LEU H H 136 8.159 7.926 0.233 1
1 864 . 10 1 1 A 75 75 LEU N N 136 118.009 122.987 -4.978 1
1 871 . 10 1 1 A 76 76 SER CA C 137 58.446 61.621 -3.175 1
1 872 . 10 1 1 A 76 76 SER CB C 137 63.709 62.834 0.875 1
1 873 . 10 1 1 A 76 76 SER HA H 137 4.808 4.062 0.746 1
1 876 . 10 1 1 A 76 76 SER H H 137 7.713 7.682 0.031 1
1 877 . 10 1 1 A 76 76 SER N N 137 111.428 113.833 -2.405 1
1 878 . 10 1 1 A 77 77 GLY CA C 138 46.311 46.961 -0.650 1
1 879 . 10 1 1 A 77 77 GLY HA2 H 138 4.815 3.927 0.888 1
1 880 . 10 1 1 A 77 77 GLY HA3 H 138 3.860 3.927 -0.067 1
1 881 . 10 1 1 A 77 77 GLY H H 138 7.779 8.787 -1.008 1
1 882 . 10 1 1 A 77 77 GLY N N 138 112.185 107.853 4.332 1
1 883 . 10 1 1 A 78 78 ARG CA C 139 61.186 58.134 3.052 1
1 884 . 10 1 1 A 78 78 ARG CB C 139 29.871 30.323 -0.452 1
1 887 . 10 1 1 A 78 78 ARG HA H 139 3.853 4.149 -0.296 1
1 892 . 10 1 1 A 78 78 ARG H H 139 8.311 8.185 0.126 1
1 893 . 10 1 1 A 78 78 ARG N N 139 121.172 123.041 -1.869 1
1 895 . 10 1 1 A 79 79 ASP CA C 140 57.533 56.533 1.000 1
1 896 . 10 1 1 A 79 79 ASP CB C 140 39.905 41.075 -1.170 1
1 897 . 10 1 1 A 79 79 ASP HA H 140 4.630 4.394 0.236 1
1 900 . 10 1 1 A 79 79 ASP H H 140 8.749 8.006 0.743 1
1 901 . 10 1 1 A 79 79 ASP N N 140 114.843 120.069 -5.226 1
1 902 . 10 1 1 A 80 80 ILE CA C 141 63.732 64.230 -0.498 1
1 903 . 10 1 1 A 80 80 ILE CB C 141 38.239 38.036 0.203 1
1 907 . 10 1 1 A 80 80 ILE HA H 141 4.070 3.865 0.205 1
1 911 . 10 1 1 A 80 80 ILE H H 141 7.565 7.422 0.143 1
1 912 . 10 1 1 A 80 80 ILE N N 141 121.986 118.278 3.708 1
1 919 . 10 1 1 A 81 81 ILE CA C 142 66.387 65.433 0.954 1
1 920 . 10 1 1 A 81 81 ILE CB C 142 38.194 37.841 0.353 1
1 924 . 10 1 1 A 81 81 ILE HA H 142 3.531 3.649 -0.118 1
1 928 . 10 1 1 A 81 81 ILE H H 142 8.309 7.644 0.665 1
1 929 . 10 1 1 A 81 81 ILE N N 142 121.735 120.234 1.501 1
1 936 . 10 1 1 A 82 82 ASN CA C 143 56.121 55.983 0.138 1
1 937 . 10 1 1 A 82 82 ASN CB C 143 38.023 37.392 0.631 1
1 938 . 10 1 1 A 82 82 ASN HA H 143 4.369 4.424 -0.055 1
1 941 . 10 1 1 A 82 82 ASN H H 143 8.919 8.212 0.707 1
1 942 . 10 1 1 A 82 82 ASN N N 143 118.128 117.595 0.533 1
1 946 . 10 1 1 A 83 83 ALA CA C 144 55.230 55.374 -0.144 1
1 947 . 10 1 1 A 83 83 ALA CB C 144 18.378 18.453 -0.075 1
1 948 . 10 1 1 A 83 83 ALA HA H 144 4.310 4.056 0.254 1
1 949 . 10 1 1 A 83 83 ALA H H 144 7.687 8.195 -0.508 1
1 950 . 10 1 1 A 83 83 ALA N N 144 122.048 121.722 0.326 1
1 954 . 10 1 1 A 84 84 ARG CA C 145 58.842 59.239 -0.397 1
1 955 . 10 1 1 A 84 84 ARG CB C 145 30.415 30.058 0.357 1
1 958 . 10 1 1 A 84 84 ARG HA H 145 4.297 3.977 0.320 1
1 963 . 10 1 1 A 84 84 ARG H H 145 8.579 7.970 0.609 1
1 964 . 10 1 1 A 84 84 ARG N N 145 119.430 118.235 1.195 1
1 966 . 10 1 1 A 85 85 LEU CA C 146 57.861 57.977 -0.116 1
1 967 . 10 1 1 A 85 85 LEU CB C 146 41.584 41.651 -0.067 1
1 971 . 10 1 1 A 85 85 LEU HA H 146 4.054 3.920 0.134 1
1 975 . 10 1 1 A 85 85 LEU H H 146 9.083 7.650 1.433 1
1 976 . 10 1 1 A 85 85 LEU N N 146 119.149 120.000 -0.851 1
1 983 . 10 1 1 A 86 86 ARG CA C 147 60.723 59.658 1.065 1
1 984 . 10 1 1 A 86 86 ARG CB C 147 29.549 29.696 -0.147 1
1 987 . 10 1 1 A 86 86 ARG HA H 147 3.774 3.869 -0.095 1
1 992 . 10 1 1 A 86 86 ARG H H 147 7.971 8.087 -0.116 1
1 993 . 10 1 1 A 86 86 ARG N N 147 118.395 120.098 -1.703 1
1 995 . 10 1 1 A 87 87 GLU CA C 148 59.392 59.183 0.209 1
1 996 . 10 1 1 A 87 87 GLU CB C 148 29.740 29.405 0.335 1
1 998 . 10 1 1 A 87 87 GLU HA H 148 4.120 4.069 0.051 1
1 1003 . 10 1 1 A 87 87 GLU H H 148 7.895 8.292 -0.397 1
1 1004 . 10 1 1 A 87 87 GLU N N 148 116.934 118.817 -1.883 1
1 1005 . 10 1 1 A 88 88 GLU CA C 149 58.455 59.016 -0.561 1
1 1006 . 10 1 1 A 88 88 GLU CB C 149 29.306 29.216 0.090 1
1 1008 . 10 1 1 A 88 88 GLU HA H 149 4.279 3.988 0.291 1
1 1013 . 10 1 1 A 88 88 GLU H H 149 8.228 8.312 -0.084 1
1 1014 . 10 1 1 A 88 88 GLU N N 149 116.458 119.527 -3.069 1
1 1015 . 10 1 1 A 89 89 LEU CA C 150 57.767 57.688 0.079 1
1 1016 . 10 1 1 A 89 89 LEU CB C 150 42.450 40.973 1.477 1
1 1020 . 10 1 1 A 89 89 LEU HA H 150 4.239 3.996 0.243 1
1 1024 . 10 1 1 A 89 89 LEU H H 150 8.401 8.412 -0.011 1
1 1025 . 10 1 1 A 89 89 LEU N N 150 117.854 120.097 -2.243 1
1 1032 . 10 1 1 A 90 90 ASP CA C 151 56.503 56.168 0.335 1
1 1033 . 10 1 1 A 90 90 ASP CB C 151 42.435 40.781 1.654 1
1 1034 . 10 1 1 A 90 90 ASP HA H 151 5.034 4.531 0.503 1
1 1037 . 10 1 1 A 90 90 ASP H H 151 8.524 7.877 0.647 1
1 1038 . 10 1 1 A 90 90 ASP N N 151 118.978 119.213 -0.235 1
1 1039 . 10 1 1 A 91 91 LYS CA C 152 58.455 57.452 1.003 1
1 1040 . 10 1 1 A 91 91 LYS CB C 152 33.021 33.338 -0.317 1
1 1044 . 10 1 1 A 91 91 LYS HA H 152 4.279 4.288 -0.009 1
1 1049 . 10 1 1 A 91 91 LYS H H 152 7.348 7.627 -0.279 1
1 1050 . 10 1 1 A 91 91 LYS N N 152 114.172 116.550 -2.378 1
1 1053 . 10 1 1 A 92 92 ILE CA C 153 61.448 62.153 -0.705 1
1 1054 . 10 1 1 A 92 92 ILE CB C 153 39.068 37.010 2.058 1
1 1058 . 10 1 1 A 92 92 ILE HA H 153 4.427 3.804 0.623 1
1 1062 . 10 1 1 A 92 92 ILE H H 153 7.597 7.375 0.222 1
1 1063 . 10 1 1 A 92 92 ILE N N 153 114.441 119.847 -5.406 1
1 1070 . 10 1 1 A 93 93 THR CA C 154 65.433 62.229 3.204 1
1 1071 . 10 1 1 A 93 93 THR CB C 154 67.799 70.135 -2.336 1
1 1073 . 10 1 1 A 93 93 THR HA H 154 3.879 4.441 -0.562 1
1 1075 . 10 1 1 A 93 93 THR H H 154 8.195 7.502 0.693 1
1 1076 . 10 1 1 A 93 93 THR N N 154 110.253 111.029 -0.776 1
1 1080 . 10 1 1 A 94 94 ASP CA C 155 57.822 57.090 0.732 1
1 1081 . 10 1 1 A 94 94 ASP CB C 155 41.397 41.510 -0.113 1
1 1082 . 10 1 1 A 94 94 ASP HA H 155 4.514 4.501 0.013 1
1 1085 . 10 1 1 A 94 94 ASP H H 155 8.474 8.160 0.314 1
1 1086 . 10 1 1 A 94 94 ASP N N 155 124.348 121.627 2.721 1
1 1087 . 10 1 1 A 95 95 ARG CA C 156 57.783 57.820 -0.037 1
1 1088 . 10 1 1 A 95 95 ARG CB C 156 29.386 29.567 -0.181 1
1 1091 . 10 1 1 A 95 95 ARG HA H 156 4.173 4.206 -0.033 1
1 1096 . 10 1 1 A 95 95 ARG H H 156 7.680 8.281 -0.601 1
1 1097 . 10 1 1 A 95 95 ARG N N 156 117.839 117.078 0.761 1
1 1099 . 10 1 1 A 96 96 TRP CB C 157 29.856 29.807 0.049 1
1 1105 . 10 1 1 A 96 96 TRP HA H 157 4.943 4.831 0.112 1
1 1112 . 10 1 1 A 96 96 TRP H H 157 7.880 7.587 0.293 1
1 1115 . 10 1 1 A 96 96 TRP N N 157 117.944 119.076 -1.132 1
1 1117 . 10 1 1 A 97 97 GLY CA C 158 46.688 46.071 0.617 1
1 1118 . 10 1 1 A 97 97 GLY HA2 H 158 4.411 4.037 0.374 1
1 1119 . 10 1 1 A 97 97 GLY HA3 H 158 4.249 4.051 0.198 1
1 1120 . 10 1 1 A 97 97 GLY H H 158 7.972 8.200 -0.228 1
1 1121 . 10 1 1 A 97 97 GLY N N 158 104.253 109.161 -4.908 1
1 1122 . 10 1 1 A 98 98 VAL CA C 159 60.417 61.315 -0.898 1
1 1123 . 10 1 1 A 98 98 VAL CB C 159 36.365 34.286 2.079 1
1 1126 . 10 1 1 A 98 98 VAL HA H 159 5.012 4.577 0.435 1
1 1128 . 10 1 1 A 98 98 VAL H H 159 7.468 8.079 -0.611 1
1 1129 . 10 1 1 A 98 98 VAL N N 159 115.979 122.112 -6.133 1
1 1136 . 10 1 1 A 99 99 LYS CA C 160 53.521 54.378 -0.857 1
1 1137 . 10 1 1 A 99 99 LYS CB C 160 36.083 35.660 0.423 1
1 1141 . 10 1 1 A 99 99 LYS HA H 160 5.053 5.127 -0.074 1
1 1148 . 10 1 1 A 99 99 LYS H H 160 9.259 8.621 0.638 1
1 1149 . 10 1 1 A 99 99 LYS N N 160 126.977 127.913 -0.936 1
1 1151 . 10 1 1 A 100 100 ILE CB C 161 35.185 37.009 -1.824 1
1 1155 . 10 1 1 A 100 100 ILE HA H 161 4.896 4.282 0.614 1
1 1159 . 10 1 1 A 100 100 ILE H H 161 9.310 8.994 0.316 1
1 1160 . 10 1 1 A 100 100 ILE N N 161 127.468 127.670 -0.202 1
1 1167 . 10 1 1 A 101 101 THR CA C 162 63.075 64.265 -1.190 1
1 1168 . 10 1 1 A 101 101 THR CB C 162 67.345 69.108 -1.763 1
1 1170 . 10 1 1 A 101 101 THR HA H 162 4.254 4.211 0.043 1
1 1172 . 10 1 1 A 101 101 THR H H 162 8.783 8.711 0.072 1
1 1173 . 10 1 1 A 101 101 THR N N 162 120.609 120.174 0.435 1
1 1177 . 10 1 1 A 102 102 ARG CA C 163 55.929 54.948 0.981 1
1 1178 . 10 1 1 A 102 102 ARG CB C 163 32.468 32.122 0.346 1
1 1181 . 10 1 1 A 102 102 ARG HA H 163 4.606 4.661 -0.055 1
1 1188 . 10 1 1 A 102 102 ARG H H 163 7.669 7.661 0.008 1
1 1189 . 10 1 1 A 102 102 ARG N N 163 118.258 117.727 0.531 1
1 1190 . 10 1 1 A 103 103 VAL CB C 164 35.090 35.311 -0.221 1
1 1193 . 10 1 1 A 103 103 VAL HA H 164 4.886 4.706 0.180 1
1 1195 . 10 1 1 A 103 103 VAL H H 164 8.700 8.337 0.363 1
1 1196 . 10 1 1 A 103 103 VAL N N 164 122.135 119.400 2.735 1
1 1203 . 10 1 1 A 104 104 GLU CA C 165 54.469 54.408 0.061 1
1 1204 . 10 1 1 A 104 104 GLU CB C 165 33.028 33.108 -0.080 1
1 1206 . 10 1 1 A 104 104 GLU HA H 165 4.835 4.816 0.019 1
1 1209 . 10 1 1 A 104 104 GLU H H 165 9.011 8.721 0.290 1
1 1210 . 10 1 1 A 104 104 GLU N N 165 123.789 125.924 -2.135 1
1 1212 . 10 1 1 A 105 105 ILE CA C 166 61.576 59.764 1.812 1
1 1213 . 10 1 1 A 105 105 ILE CB C 166 37.908 40.304 -2.396 1
1 1217 . 10 1 1 A 105 105 ILE HA H 166 4.525 4.786 -0.261 1
1 1219 . 10 1 1 A 105 105 ILE H H 166 9.869 8.734 1.135 1
1 1220 . 10 1 1 A 105 105 ILE N N 166 130.058 123.505 6.553 1
1 1229 . 10 1 1 A 106 106 GLN CA C 167 55.964 54.105 1.859 1
1 1230 . 10 1 1 A 106 106 GLN CB C 167 28.789 30.989 -2.200 1
1 1232 . 10 1 1 A 106 106 GLN HA H 167 4.661 4.679 -0.018 1
1 1239 . 10 1 1 A 106 106 GLN H H 167 8.573 8.332 0.241 1
1 1240 . 10 1 1 A 106 106 GLN N N 167 127.576 125.192 2.384 1
1 1242 . 10 1 1 A 107 107 ARG CA C 168 56.113 56.253 -0.140 1
1 1243 . 10 1 1 A 107 107 ARG CB C 168 32.098 30.465 1.633 1
1 1246 . 10 1 1 A 107 107 ARG HA H 168 4.468 4.152 0.316 1
1 1251 . 10 1 1 A 107 107 ARG H H 168 8.762 8.420 0.342 1
1 1252 . 10 1 1 A 107 107 ARG N N 168 122.725 121.698 1.027 1
1 1254 . 10 1 1 A 108 108 ILE CA C 169 61.618 59.927 1.691 1
1 1255 . 10 1 1 A 108 108 ILE CB C 169 39.583 39.653 -0.070 1
1 1259 . 10 1 1 A 108 108 ILE HA H 169 4.451 4.640 -0.189 1
1 1263 . 10 1 1 A 108 108 ILE H H 169 7.996 8.389 -0.393 1
1 1264 . 10 1 1 A 108 108 ILE N N 169 120.383 123.207 -2.824 1
1 1271 . 10 1 1 A 109 109 ASP CA C 170 51.571 50.324 1.247 1
1 1272 . 10 1 1 A 109 109 ASP CB C 170 42.763 42.001 0.762 1
1 1273 . 10 1 1 A 109 109 ASP HA H 170 5.579 5.142 0.437 1
1 1276 . 10 1 1 A 109 109 ASP H H 170 9.067 8.485 0.582 1
1 1277 . 10 1 1 A 109 109 ASP N N 170 126.604 124.675 1.929 1
1 1278 . 10 1 1 A 110 110 PRO CA C 171 61.302 61.472 -0.170 1
1 1279 . 10 1 1 A 110 110 PRO CB C 171 30.857 31.561 -0.704 1
1 1282 . 10 1 1 A 110 110 PRO HA H 171 5.081 4.711 0.370 1
1 1288 . 10 1 1 A 111 111 PRO CA C 172 63.367 62.630 0.737 1
1 1289 . 10 1 1 A 111 111 PRO CB C 172 32.050 32.896 -0.846 1
1 1292 . 10 1 1 A 111 111 PRO HA H 172 4.568 4.610 -0.042 1
1 1298 . 10 1 1 A 112 112 LYS CA C 173 55.951 57.871 -1.920 1
1 1299 . 10 1 1 A 112 112 LYS CB C 173 33.412 33.441 -0.029 1
1 1303 . 10 1 1 A 112 112 LYS HA H 173 4.465 4.493 -0.028 1
1 1306 . 10 1 1 A 112 112 LYS H H 173 8.533 8.206 0.327 1
1 1307 . 10 1 1 A 112 112 LYS N N 173 122.499 118.492 4.007 1
1 1 . 11 1 1 A 2 2 SER HA H 63 4.660 4.934 -0.274 1
1 4 . 11 1 1 A 2 2 SER CB C 63 63.645 66.937 -3.292 1
1 5 . 11 1 1 A 3 3 ASP HA H 64 4.688 4.534 0.154 1
1 8 . 11 1 1 A 3 3 ASP H H 64 8.603 8.705 -0.102 1
1 9 . 11 1 1 A 3 3 ASP CA C 64 54.354 54.748 -0.394 1
1 10 . 11 1 1 A 3 3 ASP CB C 64 40.980 41.443 -0.463 1
1 11 . 11 1 1 A 3 3 ASP N N 64 122.069 124.824 -2.755 1
1 12 . 11 1 1 A 4 4 HIS HA H 65 4.735 4.910 -0.175 1
1 17 . 11 1 1 A 4 4 HIS H H 65 8.354 8.338 0.016 1
1 18 . 11 1 1 A 4 4 HIS CA C 65 56.220 54.889 1.331 1
1 19 . 11 1 1 A 4 4 HIS CB C 65 30.570 30.986 -0.416 1
1 22 . 11 1 1 A 4 4 HIS N N 65 119.219 117.957 1.262 1
1 29 . 11 1 1 A 5 5 VAL HA H 66 4.183 4.769 -0.586 1
1 31 . 11 1 1 A 5 5 VAL H H 66 8.073 8.581 -0.508 1
1 32 . 11 1 1 A 5 5 VAL CA C 66 62.127 61.222 0.905 1
1 33 . 11 1 1 A 5 5 VAL CB C 66 32.960 33.589 -0.629 1
1 36 . 11 1 1 A 5 5 VAL N N 66 121.775 121.985 -0.210 1
1 37 . 11 1 1 A 6 6 ASP CA C 67 53.727 52.458 1.269 1
1 38 . 11 1 1 A 6 6 ASP CB C 67 41.472 44.626 -3.154 1
1 39 . 11 1 1 A 6 6 ASP HA H 67 4.771 5.033 -0.262 1
1 42 . 11 1 1 A 6 6 ASP H H 67 8.615 8.456 0.159 1
1 43 . 11 1 1 A 6 6 ASP N N 67 124.725 126.420 -1.695 1
1 44 . 11 1 1 A 7 7 LEU CA C 68 54.586 57.632 -3.046 1
1 45 . 11 1 1 A 7 7 LEU CB C 68 41.657 41.921 -0.264 1
1 49 . 11 1 1 A 7 7 LEU HA H 68 4.556 3.970 0.586 1
1 53 . 11 1 1 A 7 7 LEU H H 68 8.441 8.743 -0.302 1
1 54 . 11 1 1 A 7 7 LEU N N 68 123.747 125.382 -1.635 1
1 61 . 11 1 1 A 8 8 ARG CA C 69 56.247 56.101 0.146 1
1 62 . 11 1 1 A 8 8 ARG CB C 69 30.828 30.510 0.318 1
1 65 . 11 1 1 A 8 8 ARG HA H 69 4.253 4.122 0.131 1
1 70 . 11 1 1 A 8 8 ARG H H 69 8.209 7.513 0.696 1
1 71 . 11 1 1 A 8 8 ARG N N 69 121.063 119.197 1.866 1
1 73 . 11 1 1 A 9 9 GLU CA C 70 55.691 56.191 -0.500 1
1 74 . 11 1 1 A 9 9 GLU CB C 70 31.777 29.855 1.922 1
1 76 . 11 1 1 A 9 9 GLU HA H 70 4.655 4.067 0.588 1
1 79 . 11 1 1 A 9 9 GLU H H 70 8.338 8.274 0.064 1
1 80 . 11 1 1 A 9 9 GLU N N 70 121.677 124.920 -3.243 1
1 82 . 11 1 1 A 10 10 HIS CA C 71 54.619 53.884 0.735 1
1 83 . 11 1 1 A 10 10 HIS CB C 71 32.189 32.589 -0.400 1
1 86 . 11 1 1 A 10 10 HIS HA H 71 4.716 4.889 -0.173 1
1 91 . 11 1 1 A 10 10 HIS H H 71 9.043 8.654 0.389 1
1 92 . 11 1 1 A 10 10 HIS N N 71 125.575 120.442 5.133 1
1 93 . 11 1 1 A 11 11 VAL CA C 72 60.567 60.102 0.465 1
1 94 . 11 1 1 A 11 11 VAL CB C 72 35.380 33.912 1.468 1
1 97 . 11 1 1 A 11 11 VAL HA H 72 4.951 4.576 0.375 1
1 99 . 11 1 1 A 11 11 VAL H H 72 8.218 8.693 -0.475 1
1 100 . 11 1 1 A 11 11 VAL N N 72 117.348 122.329 -4.981 1
1 107 . 11 1 1 A 12 12 ILE CA C 73 59.857 60.023 -0.166 1
1 108 . 11 1 1 A 12 12 ILE CB C 73 41.969 39.098 2.871 1
1 112 . 11 1 1 A 12 12 ILE HA H 73 4.464 4.864 -0.400 1
1 116 . 11 1 1 A 12 12 ILE H H 73 9.272 9.493 -0.221 1
1 117 . 11 1 1 A 12 12 ILE N N 73 126.908 129.402 -2.494 1
1 124 . 11 1 1 A 13 13 ASP CB C 74 41.534 42.115 -0.581 1
1 125 . 11 1 1 A 13 13 ASP HA H 74 4.885 4.999 -0.114 1
1 128 . 11 1 1 A 13 13 ASP H H 74 8.501 9.012 -0.511 1
1 129 . 11 1 1 A 13 13 ASP N N 74 126.253 128.938 -2.685 1
1 130 . 11 1 1 A 14 14 VAL CA C 75 59.550 58.165 1.385 1
1 131 . 11 1 1 A 14 14 VAL CB C 75 32.270 35.075 -2.805 1
1 134 . 11 1 1 A 14 14 VAL HA H 75 4.491 4.783 -0.292 1
1 136 . 11 1 1 A 14 14 VAL H H 75 8.758 8.834 -0.076 1
1 137 . 11 1 1 A 14 14 VAL N N 75 124.997 125.725 -0.728 1
1 144 . 11 1 1 A 15 15 PRO CB C 76 30.981 31.701 -0.720 1
1 147 . 11 1 1 A 15 15 PRO HA H 76 4.837 4.697 0.140 1
1 153 . 11 1 1 A 16 16 PRO CB C 77 32.267 32.616 -0.349 1
1 156 . 11 1 1 A 16 16 PRO HA H 77 4.881 4.907 -0.026 1
1 162 . 11 1 1 A 17 17 GLN CA C 78 53.332 54.943 -1.611 1
1 163 . 11 1 1 A 17 17 GLN CB C 78 33.352 32.460 0.892 1
1 165 . 11 1 1 A 17 17 GLN HA H 78 4.768 4.765 0.003 1
1 170 . 11 1 1 A 17 17 GLN H H 78 8.612 8.348 0.264 1
1 171 . 11 1 1 A 17 17 GLN N N 78 119.550 121.963 -2.413 1
1 175 . 11 1 1 A 18 18 GLU CA C 79 55.955 55.945 0.010 1
1 176 . 11 1 1 A 18 18 GLU CB C 79 30.087 29.837 0.250 1
1 178 . 11 1 1 A 18 18 GLU HA H 79 5.070 4.940 0.130 1
1 183 . 11 1 1 A 18 18 GLU H H 79 8.626 8.996 -0.370 1
1 184 . 11 1 1 A 18 18 GLU N N 79 123.226 125.875 -2.649 1
1 185 . 11 1 1 A 19 19 VAL CA C 80 60.191 59.949 0.242 1
1 186 . 11 1 1 A 19 19 VAL CB C 80 34.901 34.001 0.900 1
1 189 . 11 1 1 A 19 19 VAL HA H 80 4.562 4.844 -0.282 1
1 191 . 11 1 1 A 19 19 VAL H H 80 9.568 8.747 0.821 1
1 192 . 11 1 1 A 19 19 VAL N N 80 123.365 118.287 5.078 1
1 199 . 11 1 1 A 20 20 ILE CA C 81 60.810 61.490 -0.680 1
1 200 . 11 1 1 A 20 20 ILE CB C 81 39.198 37.102 2.096 1
1 204 . 11 1 1 A 20 20 ILE HA H 81 4.678 4.037 0.641 1
1 208 . 11 1 1 A 20 20 ILE H H 81 8.048 8.714 -0.666 1
1 209 . 11 1 1 A 20 20 ILE N N 81 122.564 124.886 -2.322 1
1 216 . 11 1 1 A 21 21 CYS CB C 82 29.386 28.719 0.667 1
1 217 . 11 1 1 A 21 21 CYS HA H 82 4.932 4.477 0.455 1
1 220 . 11 1 1 A 21 21 CYS H H 82 8.796 8.763 0.033 1
1 221 . 11 1 1 A 21 21 CYS N N 82 125.960 126.757 -0.797 1
1 222 . 11 1 1 A 22 22 LYS CA C 83 59.330 58.959 0.371 1
1 223 . 11 1 1 A 22 22 LYS CB C 83 33.478 32.348 1.130 1
1 227 . 11 1 1 A 22 22 LYS HA H 83 4.096 4.034 0.062 1
1 234 . 11 1 1 A 22 22 LYS H H 83 8.735 8.672 0.063 1
1 235 . 11 1 1 A 22 22 LYS N N 83 123.785 125.185 -1.400 1
1 237 . 11 1 1 A 23 23 ASP CA C 84 53.011 53.067 -0.056 1
1 238 . 11 1 1 A 23 23 ASP CB C 84 38.642 40.656 -2.014 1
1 239 . 11 1 1 A 23 23 ASP HA H 84 4.694 4.747 -0.053 1
1 242 . 11 1 1 A 23 23 ASP H H 84 8.667 7.694 0.973 1
1 243 . 11 1 1 A 23 23 ASP N N 84 112.676 117.730 -5.054 1
1 244 . 11 1 1 A 24 24 ASN CA C 85 54.989 54.043 0.946 1
1 245 . 11 1 1 A 24 24 ASN CB C 85 36.698 37.255 -0.557 1
1 246 . 11 1 1 A 24 24 ASN HA H 85 4.321 4.383 -0.062 1
1 251 . 11 1 1 A 24 24 ASN H H 85 8.264 8.108 0.156 1
1 252 . 11 1 1 A 24 24 ASN N N 85 112.321 117.793 -5.472 1
1 254 . 11 1 1 A 25 25 VAL CA C 86 61.920 61.187 0.733 1
1 255 . 11 1 1 A 25 25 VAL CB C 86 33.581 32.934 0.647 1
1 258 . 11 1 1 A 25 25 VAL HA H 86 4.247 4.379 -0.132 1
1 260 . 11 1 1 A 25 25 VAL H H 86 6.817 7.645 -0.828 1
1 261 . 11 1 1 A 25 25 VAL N N 86 117.663 118.697 -1.034 1
1 268 . 11 1 1 A 26 26 VAL CA C 87 62.127 62.494 -0.367 1
1 269 . 11 1 1 A 26 26 VAL CB C 87 32.468 32.061 0.407 1
1 272 . 11 1 1 A 26 26 VAL HA H 87 4.710 4.382 0.328 1
1 274 . 11 1 1 A 26 26 VAL H H 87 8.467 8.699 -0.232 1
1 275 . 11 1 1 A 26 26 VAL N N 87 128.149 129.366 -1.217 1
1 282 . 11 1 1 A 27 27 VAL CA C 88 58.409 59.182 -0.773 1
1 283 . 11 1 1 A 27 27 VAL CB C 88 34.991 35.968 -0.977 1
1 286 . 11 1 1 A 27 27 VAL HA H 88 4.995 4.873 0.122 1
1 288 . 11 1 1 A 27 27 VAL H H 88 8.983 8.740 0.243 1
1 289 . 11 1 1 A 27 27 VAL N N 88 119.421 122.112 -2.691 1
1 296 . 11 1 1 A 28 28 THR CA C 89 62.180 62.325 -0.145 1
1 297 . 11 1 1 A 28 28 THR CB C 89 69.351 69.415 -0.064 1
1 299 . 11 1 1 A 28 28 THR HA H 89 5.249 4.837 0.412 1
1 301 . 11 1 1 A 28 28 THR H H 89 8.544 8.709 -0.165 1
1 302 . 11 1 1 A 28 28 THR N N 89 118.810 118.951 -0.141 1
1 306 . 11 1 1 A 29 29 VAL CA C 90 58.826 59.592 -0.766 1
1 307 . 11 1 1 A 29 29 VAL CB C 90 36.035 34.216 1.819 1
1 310 . 11 1 1 A 29 29 VAL HA H 90 5.527 5.047 0.480 1
1 312 . 11 1 1 A 29 29 VAL H H 90 8.818 8.697 0.121 1
1 313 . 11 1 1 A 29 29 VAL N N 90 123.670 122.890 0.780 1
1 320 . 11 1 1 A 30 30 ASP CA C 91 52.821 53.096 -0.275 1
1 321 . 11 1 1 A 30 30 ASP CB C 91 42.960 44.453 -1.493 1
1 322 . 11 1 1 A 30 30 ASP HA H 91 4.785 5.331 -0.546 1
1 325 . 11 1 1 A 30 30 ASP H H 91 8.478 8.895 -0.417 1
1 326 . 11 1 1 A 30 30 ASP N N 91 125.411 120.747 4.664 1
1 327 . 11 1 1 A 31 31 ALA CA C 92 51.718 51.386 0.332 1
1 328 . 11 1 1 A 31 31 ALA CB C 92 22.216 23.172 -0.956 1
1 329 . 11 1 1 A 31 31 ALA HA H 92 5.268 4.926 0.342 1
1 330 . 11 1 1 A 31 31 ALA H H 92 8.075 8.338 -0.263 1
1 331 . 11 1 1 A 31 31 ALA N N 92 116.806 121.212 -4.406 1
1 335 . 11 1 1 A 32 32 VAL CB C 93 34.772 33.511 1.261 1
1 338 . 11 1 1 A 32 32 VAL HA H 93 4.901 4.949 -0.048 1
1 340 . 11 1 1 A 32 32 VAL H H 93 8.306 8.746 -0.440 1
1 341 . 11 1 1 A 32 32 VAL N N 93 117.482 116.370 1.112 1
1 348 . 11 1 1 A 33 33 VAL CA C 94 61.058 60.916 0.142 1
1 349 . 11 1 1 A 33 33 VAL CB C 94 34.773 35.960 -1.187 1
1 352 . 11 1 1 A 33 33 VAL HA H 94 4.515 4.904 -0.389 1
1 354 . 11 1 1 A 33 33 VAL H H 94 8.873 8.229 0.644 1
1 355 . 11 1 1 A 33 33 VAL N N 94 124.653 121.917 2.736 1
1 362 . 11 1 1 A 34 34 TYR CA C 95 56.333 57.512 -1.179 1
1 363 . 11 1 1 A 34 34 TYR CB C 95 40.336 41.223 -0.887 1
1 366 . 11 1 1 A 34 34 TYR HA H 95 5.834 5.427 0.407 1
1 371 . 11 1 1 A 34 34 TYR H H 95 8.989 8.672 0.317 1
1 372 . 11 1 1 A 34 34 TYR N N 95 126.081 127.109 -1.028 1
1 375 . 11 1 1 A 35 35 TYR CA C 96 55.679 56.602 -0.923 1
1 376 . 11 1 1 A 35 35 TYR CB C 96 42.824 41.218 1.606 1
1 379 . 11 1 1 A 35 35 TYR HA H 96 6.097 5.498 0.599 1
1 384 . 11 1 1 A 35 35 TYR H H 96 9.102 8.386 0.716 1
1 385 . 11 1 1 A 35 35 TYR N N 96 117.188 118.597 -1.409 1
1 388 . 11 1 1 A 36 36 GLN CB C 97 33.643 32.709 0.934 1
1 390 . 11 1 1 A 36 36 GLN HA H 97 4.942 4.999 -0.057 1
1 395 . 11 1 1 A 36 36 GLN H H 97 9.441 8.563 0.878 1
1 396 . 11 1 1 A 36 36 GLN N N 97 118.000 118.875 -0.875 1
1 399 . 11 1 1 A 37 37 VAL CA C 98 63.621 63.267 0.354 1
1 400 . 11 1 1 A 37 37 VAL CB C 98 31.380 30.958 0.422 1
1 403 . 11 1 1 A 37 37 VAL HA H 98 4.286 4.074 0.212 1
1 405 . 11 1 1 A 37 37 VAL H H 98 9.692 8.964 0.728 1
1 406 . 11 1 1 A 37 37 VAL N N 98 126.436 123.370 3.066 1
1 413 . 11 1 1 A 38 38 ILE CA C 99 61.011 61.747 -0.736 1
1 414 . 11 1 1 A 38 38 ILE CB C 99 38.943 38.145 0.798 1
1 418 . 11 1 1 A 38 38 ILE HA H 99 4.514 4.220 0.294 1
1 422 . 11 1 1 A 38 38 ILE H H 99 8.540 8.322 0.218 1
1 423 . 11 1 1 A 38 38 ILE N N 99 123.480 123.913 -0.433 1
1 430 . 11 1 1 A 39 39 ASP CA C 100 50.850 51.300 -0.450 1
1 431 . 11 1 1 A 39 39 ASP CB C 100 41.979 42.099 -0.120 1
1 432 . 11 1 1 A 39 39 ASP HA H 100 5.326 4.949 0.377 1
1 435 . 11 1 1 A 39 39 ASP H H 100 8.135 7.363 0.772 1
1 436 . 11 1 1 A 39 39 ASP N N 100 119.056 121.871 -2.815 1
1 437 . 11 1 1 A 40 40 PRO CA C 101 64.279 64.702 -0.423 1
1 438 . 11 1 1 A 40 40 PRO CB C 101 32.510 32.109 0.401 1
1 441 . 11 1 1 A 40 40 PRO HA H 101 4.299 4.239 0.060 1
1 448 . 11 1 1 A 41 41 VAL CA C 102 65.120 64.772 0.348 1
1 449 . 11 1 1 A 41 41 VAL CB C 102 31.406 31.334 0.072 1
1 452 . 11 1 1 A 41 41 VAL HA H 102 3.886 3.922 -0.036 1
1 454 . 11 1 1 A 41 41 VAL H H 102 7.936 8.274 -0.338 1
1 455 . 11 1 1 A 41 41 VAL N N 102 118.168 116.371 1.797 1
1 462 . 11 1 1 A 42 42 LYS CA C 103 57.852 56.400 1.452 1
1 463 . 11 1 1 A 42 42 LYS CB C 103 33.597 33.420 0.177 1
1 467 . 11 1 1 A 42 42 LYS HA H 103 4.242 4.501 -0.259 1
1 472 . 11 1 1 A 42 42 LYS H H 103 7.240 7.606 -0.366 1
1 473 . 11 1 1 A 42 42 LYS N N 103 118.280 119.748 -1.468 1
1 476 . 11 1 1 A 43 43 ALA CA C 104 53.615 50.824 2.791 1
1 477 . 11 1 1 A 43 43 ALA CB C 104 18.578 19.154 -0.576 1
1 478 . 11 1 1 A 43 43 ALA HA H 104 4.632 4.213 0.419 1
1 479 . 11 1 1 A 43 43 ALA H H 104 7.702 7.309 0.393 1
1 480 . 11 1 1 A 43 43 ALA N N 104 122.122 121.598 0.524 1
1 484 . 11 1 1 A 44 44 VAL CA C 105 62.530 63.436 -0.906 1
1 485 . 11 1 1 A 44 44 VAL CB C 105 31.680 31.620 0.060 1
1 488 . 11 1 1 A 44 44 VAL HA H 105 4.197 4.006 0.191 1
1 490 . 11 1 1 A 44 44 VAL H H 105 7.682 7.893 -0.211 1
1 491 . 11 1 1 A 44 44 VAL N N 105 115.037 116.915 -1.878 1
1 498 . 11 1 1 A 45 45 TYR CA C 106 57.222 57.194 0.028 1
1 499 . 11 1 1 A 45 45 TYR CB C 106 38.651 37.646 1.005 1
1 502 . 11 1 1 A 45 45 TYR HA H 106 4.652 4.557 0.095 1
1 505 . 11 1 1 A 45 45 TYR H H 106 7.436 7.451 -0.015 1
1 506 . 11 1 1 A 45 45 TYR N N 106 118.804 121.041 -2.237 1
1 510 . 11 1 1 A 46 46 ASN CB C 107 39.028 36.135 2.893 1
1 511 . 11 1 1 A 46 46 ASN HA H 107 4.959 4.355 0.604 1
1 516 . 11 1 1 A 46 46 ASN H H 107 8.614 8.172 0.442 1
1 517 . 11 1 1 A 46 46 ASN N N 107 118.495 116.605 1.890 1
1 519 . 11 1 1 A 47 47 VAL CA C 108 65.178 63.278 1.900 1
1 520 . 11 1 1 A 47 47 VAL CB C 108 32.022 29.908 2.114 1
1 523 . 11 1 1 A 47 47 VAL HA H 108 3.952 3.495 0.457 1
1 525 . 11 1 1 A 47 47 VAL H H 108 8.342 7.827 0.515 1
1 526 . 11 1 1 A 47 47 VAL N N 108 123.377 113.558 9.819 1
1 533 . 11 1 1 A 48 48 SER CA C 109 61.473 60.989 0.484 1
1 534 . 11 1 1 A 48 48 SER CB C 109 62.248 63.717 -1.469 1
1 535 . 11 1 1 A 48 48 SER HA H 109 4.298 4.509 -0.211 1
1 536 . 11 1 1 A 48 48 SER H H 109 8.353 8.051 0.302 1
1 537 . 11 1 1 A 48 48 SER N N 109 116.439 115.996 0.443 1
1 539 . 11 1 1 A 49 49 ASP CA C 110 56.211 57.169 -0.958 1
1 540 . 11 1 1 A 49 49 ASP CB C 110 40.691 40.019 0.672 1
1 541 . 11 1 1 A 49 49 ASP HA H 110 4.534 4.181 0.353 1
1 542 . 11 1 1 A 49 49 ASP H H 110 7.832 8.359 -0.527 1
1 543 . 11 1 1 A 49 49 ASP N N 110 121.141 121.525 -0.384 1
1 545 . 11 1 1 A 50 50 PHE CA C 111 60.009 61.369 -1.360 1
1 546 . 11 1 1 A 50 50 PHE CB C 111 38.598 39.424 -0.826 1
1 550 . 11 1 1 A 50 50 PHE HA H 111 3.486 4.116 -0.630 1
1 555 . 11 1 1 A 50 50 PHE H H 111 8.044 8.250 -0.206 1
1 557 . 11 1 1 A 50 50 PHE N N 111 122.621 122.483 0.138 1
1 560 . 11 1 1 A 51 51 LEU CA C 112 58.009 58.107 -0.098 1
1 561 . 11 1 1 A 51 51 LEU CB C 112 41.213 41.829 -0.616 1
1 565 . 11 1 1 A 51 51 LEU HA H 112 3.546 3.499 0.047 1
1 569 . 11 1 1 A 51 51 LEU H H 112 8.046 8.447 -0.401 1
1 570 . 11 1 1 A 51 51 LEU N N 112 119.691 120.379 -0.688 1
1 577 . 11 1 1 A 52 52 MET CA C 113 57.696 58.344 -0.648 1
1 578 . 11 1 1 A 52 52 MET CB C 113 32.289 32.210 0.079 1
1 581 . 11 1 1 A 52 52 MET HA H 113 4.231 4.154 0.077 1
1 586 . 11 1 1 A 52 52 MET H H 113 7.563 8.283 -0.720 1
1 587 . 11 1 1 A 52 52 MET N N 113 115.770 117.255 -1.485 1
1 591 . 11 1 1 A 53 53 ALA CA C 114 54.815 55.117 -0.302 1
1 592 . 11 1 1 A 53 53 ALA CB C 114 18.369 18.578 -0.209 1
1 593 . 11 1 1 A 53 53 ALA HA H 114 4.199 4.036 0.163 1
1 594 . 11 1 1 A 53 53 ALA H H 114 7.878 8.069 -0.191 1
1 595 . 11 1 1 A 53 53 ALA N N 114 121.804 122.409 -0.605 1
1 599 . 11 1 1 A 54 54 ILE CA C 115 63.259 64.874 -1.615 1
1 600 . 11 1 1 A 54 54 ILE CB C 115 36.127 37.721 -1.594 1
1 604 . 11 1 1 A 54 54 ILE HA H 115 3.767 3.654 0.113 1
1 608 . 11 1 1 A 54 54 ILE H H 115 8.202 8.313 -0.111 1
1 609 . 11 1 1 A 54 54 ILE N N 115 118.054 117.993 0.061 1
1 616 . 11 1 1 A 55 55 VAL CA C 116 68.036 66.416 1.620 1
1 617 . 11 1 1 A 55 55 VAL CB C 116 31.463 31.855 -0.392 1
1 620 . 11 1 1 A 55 55 VAL HA H 116 3.509 3.661 -0.152 1
1 622 . 11 1 1 A 55 55 VAL H H 116 7.961 7.786 0.175 1
1 623 . 11 1 1 A 55 55 VAL N N 116 121.095 119.784 1.311 1
1 630 . 11 1 1 A 56 56 LYS CA C 117 59.077 57.899 1.178 1
1 631 . 11 1 1 A 56 56 LYS CB C 117 31.997 32.966 -0.969 1
1 635 . 11 1 1 A 56 56 LYS HA H 117 4.297 4.242 0.055 1
1 638 . 11 1 1 A 56 56 LYS H H 117 8.000 8.163 -0.163 1
1 639 . 11 1 1 A 56 56 LYS N N 117 118.806 120.430 -1.624 1
1 643 . 11 1 1 A 57 57 LEU CA C 118 57.515 57.728 -0.213 1
1 644 . 11 1 1 A 57 57 LEU CB C 118 42.727 42.037 0.690 1
1 648 . 11 1 1 A 57 57 LEU HA H 118 4.286 3.936 0.350 1
1 652 . 11 1 1 A 57 57 LEU H H 118 8.390 8.236 0.154 1
1 653 . 11 1 1 A 57 57 LEU N N 118 120.738 120.333 0.405 1
1 660 . 11 1 1 A 58 58 ALA CA C 119 55.695 55.089 0.606 1
1 661 . 11 1 1 A 58 58 ALA CB C 119 17.984 18.219 -0.235 1
1 662 . 11 1 1 A 58 58 ALA HA H 119 4.131 3.912 0.219 1
1 663 . 11 1 1 A 58 58 ALA H H 119 9.213 8.527 0.686 1
1 664 . 11 1 1 A 58 58 ALA N N 119 123.641 120.380 3.261 1
1 668 . 11 1 1 A 59 59 GLN CA C 120 60.234 58.540 1.694 1
1 669 . 11 1 1 A 59 59 GLN CB C 120 28.353 28.514 -0.161 1
1 671 . 11 1 1 A 59 59 GLN HA H 120 3.972 4.063 -0.091 1
1 678 . 11 1 1 A 59 59 GLN H H 120 8.649 7.906 0.743 1
1 679 . 11 1 1 A 59 59 GLN N N 120 116.453 118.253 -1.800 1
1 681 . 11 1 1 A 60 60 THR CA C 121 66.360 65.249 1.111 1
1 682 . 11 1 1 A 60 60 THR CB C 121 68.868 68.818 0.050 1
1 684 . 11 1 1 A 60 60 THR HA H 121 4.076 4.129 -0.053 1
1 686 . 11 1 1 A 60 60 THR H H 121 8.566 7.795 0.771 1
1 687 . 11 1 1 A 60 60 THR N N 121 115.479 115.568 -0.089 1
1 691 . 11 1 1 A 61 61 ASN CA C 122 57.397 55.806 1.591 1
1 692 . 11 1 1 A 61 61 ASN CB C 122 39.535 38.448 1.087 1
1 693 . 11 1 1 A 61 61 ASN HA H 122 4.626 4.615 0.011 1
1 698 . 11 1 1 A 61 61 ASN H H 122 8.433 7.952 0.481 1
1 699 . 11 1 1 A 61 61 ASN N N 122 120.652 119.730 0.922 1
1 701 . 11 1 1 A 62 62 LEU CA C 123 58.804 58.162 0.642 1
1 702 . 11 1 1 A 62 62 LEU CB C 123 42.331 41.457 0.874 1
1 706 . 11 1 1 A 62 62 LEU HA H 123 4.068 3.955 0.113 1
1 710 . 11 1 1 A 62 62 LEU H H 123 8.837 8.438 0.399 1
1 711 . 11 1 1 A 62 62 LEU N N 123 121.425 117.608 3.817 1
1 718 . 11 1 1 A 63 63 ARG CA C 124 59.647 59.136 0.511 1
1 719 . 11 1 1 A 63 63 ARG CB C 124 30.112 29.837 0.275 1
1 722 . 11 1 1 A 63 63 ARG HA H 124 4.030 4.011 0.019 1
1 727 . 11 1 1 A 63 63 ARG H H 124 7.502 8.422 -0.920 1
1 728 . 11 1 1 A 63 63 ARG N N 124 116.156 119.013 -2.857 1
1 730 . 11 1 1 A 64 64 ALA CA C 125 54.793 54.842 -0.049 1
1 731 . 11 1 1 A 64 64 ALA CB C 125 18.471 18.991 -0.520 1
1 732 . 11 1 1 A 64 64 ALA HA H 125 4.260 4.128 0.132 1
1 733 . 11 1 1 A 64 64 ALA H H 125 7.637 7.804 -0.167 1
1 734 . 11 1 1 A 64 64 ALA N N 125 121.808 122.298 -0.490 1
1 738 . 11 1 1 A 65 65 ILE CA C 126 64.917 64.814 0.103 1
1 739 . 11 1 1 A 65 65 ILE CB C 126 39.599 37.773 1.826 1
1 743 . 11 1 1 A 65 65 ILE HA H 126 3.745 3.744 0.001 1
1 747 . 11 1 1 A 65 65 ILE H H 126 8.476 7.345 1.131 1
1 748 . 11 1 1 A 65 65 ILE N N 126 117.948 117.621 0.327 1
1 755 . 11 1 1 A 66 66 ILE CA C 127 64.704 64.817 -0.113 1
1 756 . 11 1 1 A 66 66 ILE CB C 127 37.188 37.744 -0.556 1
1 760 . 11 1 1 A 66 66 ILE HA H 127 3.826 3.741 0.085 1
1 764 . 11 1 1 A 66 66 ILE H H 127 8.130 8.172 -0.042 1
1 765 . 11 1 1 A 66 66 ILE N N 127 118.919 119.624 -0.705 1
1 772 . 11 1 1 A 67 67 GLY CA C 128 46.401 46.798 -0.397 1
1 773 . 11 1 1 A 67 67 GLY HA2 H 128 4.437 3.981 0.456 1
1 774 . 11 1 1 A 67 67 GLY HA3 H 128 3.925 3.981 -0.056 1
1 775 . 11 1 1 A 67 67 GLY H H 128 7.683 8.021 -0.338 1
1 776 . 11 1 1 A 67 67 GLY N N 128 104.485 109.098 -4.613 1
1 777 . 11 1 1 A 68 68 GLU CA C 129 55.446 55.137 0.309 1
1 778 . 11 1 1 A 68 68 GLU CB C 129 30.672 31.394 -0.722 1
1 780 . 11 1 1 A 68 68 GLU HA H 129 4.589 4.891 -0.302 1
1 785 . 11 1 1 A 68 68 GLU H H 129 7.111 8.136 -1.025 1
1 786 . 11 1 1 A 68 68 GLU N N 129 115.084 116.379 -1.295 1
1 787 . 11 1 1 A 69 69 MET CA C 130 55.238 54.596 0.642 1
1 788 . 11 1 1 A 69 69 MET CB C 130 36.559 36.529 0.030 1
1 791 . 11 1 1 A 69 69 MET HA H 130 4.763 4.824 -0.061 1
1 796 . 11 1 1 A 69 69 MET H H 130 8.414 8.608 -0.194 1
1 797 . 11 1 1 A 69 69 MET N N 130 121.732 121.494 0.238 1
1 801 . 11 1 1 A 70 70 GLU CA C 131 56.474 54.505 1.969 1
1 802 . 11 1 1 A 70 70 GLU CB C 131 30.686 32.430 -1.744 1
1 804 . 11 1 1 A 70 70 GLU HA H 131 4.354 4.852 -0.498 1
1 809 . 11 1 1 A 70 70 GLU H H 131 9.395 8.634 0.761 1
1 810 . 11 1 1 A 70 70 GLU N N 131 122.754 119.693 3.061 1
1 811 . 11 1 1 A 71 71 LEU CA C 132 59.955 58.444 1.511 1
1 812 . 11 1 1 A 71 71 LEU CB C 132 40.900 41.962 -1.062 1
1 816 . 11 1 1 A 71 71 LEU HA H 132 4.454 3.948 0.506 1
1 820 . 11 1 1 A 71 71 LEU H H 132 10.320 8.808 1.512 1
1 821 . 11 1 1 A 71 71 LEU N N 132 127.791 128.189 -0.398 1
1 828 . 11 1 1 A 72 72 ASP CA C 133 57.961 56.631 1.330 1
1 829 . 11 1 1 A 72 72 ASP CB C 133 40.031 40.948 -0.917 1
1 830 . 11 1 1 A 72 72 ASP HA H 133 4.452 4.400 0.052 1
1 831 . 11 1 1 A 72 72 ASP H H 133 9.283 7.948 1.335 1
1 832 . 11 1 1 A 72 72 ASP N N 133 117.573 118.604 -1.031 1
1 834 . 11 1 1 A 73 73 GLU CA C 134 58.070 59.445 -1.375 1
1 835 . 11 1 1 A 73 73 GLU CB C 134 30.329 29.580 0.749 1
1 837 . 11 1 1 A 73 73 GLU HA H 134 4.166 3.993 0.173 1
1 842 . 11 1 1 A 73 73 GLU H H 134 7.307 8.092 -0.785 1
1 843 . 11 1 1 A 73 73 GLU N N 134 118.947 120.553 -1.606 1
1 844 . 11 1 1 A 74 74 THR CA C 135 67.017 65.422 1.595 1
1 845 . 11 1 1 A 74 74 THR CB C 135 68.224 68.241 -0.017 1
1 847 . 11 1 1 A 74 74 THR HA H 135 3.966 4.122 -0.156 1
1 849 . 11 1 1 A 74 74 THR H H 135 8.334 8.527 -0.193 1
1 850 . 11 1 1 A 74 74 THR N N 135 116.702 114.320 2.382 1
1 854 . 11 1 1 A 75 75 LEU CA C 136 57.604 57.792 -0.188 1
1 855 . 11 1 1 A 75 75 LEU CB C 136 41.375 42.199 -0.824 1
1 859 . 11 1 1 A 75 75 LEU HA H 136 4.164 4.068 0.096 1
1 863 . 11 1 1 A 75 75 LEU H H 136 8.159 7.640 0.519 1
1 864 . 11 1 1 A 75 75 LEU N N 136 118.009 122.853 -4.844 1
1 871 . 11 1 1 A 76 76 SER CA C 137 58.446 57.829 0.617 1
1 872 . 11 1 1 A 76 76 SER CB C 137 63.709 63.437 0.272 1
1 873 . 11 1 1 A 76 76 SER HA H 137 4.808 4.805 0.003 1
1 876 . 11 1 1 A 76 76 SER H H 137 7.713 7.488 0.225 1
1 877 . 11 1 1 A 76 76 SER N N 137 111.428 111.619 -0.191 1
1 878 . 11 1 1 A 77 77 GLY CA C 138 46.311 45.540 0.771 1
1 879 . 11 1 1 A 77 77 GLY HA2 H 138 4.815 4.076 0.739 1
1 880 . 11 1 1 A 77 77 GLY HA3 H 138 3.860 4.077 -0.217 1
1 881 . 11 1 1 A 77 77 GLY H H 138 7.779 7.890 -0.111 1
1 882 . 11 1 1 A 77 77 GLY N N 138 112.185 109.515 2.670 1
1 883 . 11 1 1 A 78 78 ARG CA C 139 61.186 57.861 3.325 1
1 884 . 11 1 1 A 78 78 ARG CB C 139 29.871 29.349 0.522 1
1 887 . 11 1 1 A 78 78 ARG HA H 139 3.853 4.149 -0.296 1
1 892 . 11 1 1 A 78 78 ARG H H 139 8.311 7.922 0.389 1
1 893 . 11 1 1 A 78 78 ARG N N 139 121.172 118.086 3.086 1
1 895 . 11 1 1 A 79 79 ASP CA C 140 57.533 55.940 1.593 1
1 896 . 11 1 1 A 79 79 ASP CB C 140 39.905 41.236 -1.331 1
1 897 . 11 1 1 A 79 79 ASP HA H 140 4.630 4.595 0.035 1
1 900 . 11 1 1 A 79 79 ASP H H 140 8.749 8.034 0.715 1
1 901 . 11 1 1 A 79 79 ASP N N 140 114.843 118.210 -3.367 1
1 902 . 11 1 1 A 80 80 ILE CA C 141 63.732 64.076 -0.344 1
1 903 . 11 1 1 A 80 80 ILE CB C 141 38.239 37.760 0.479 1
1 907 . 11 1 1 A 80 80 ILE HA H 141 4.070 3.892 0.178 1
1 911 . 11 1 1 A 80 80 ILE H H 141 7.565 7.501 0.064 1
1 912 . 11 1 1 A 80 80 ILE N N 141 121.986 120.594 1.392 1
1 919 . 11 1 1 A 81 81 ILE CA C 142 66.387 65.886 0.501 1
1 920 . 11 1 1 A 81 81 ILE CB C 142 38.194 37.976 0.218 1
1 924 . 11 1 1 A 81 81 ILE HA H 142 3.531 3.476 0.055 1
1 928 . 11 1 1 A 81 81 ILE H H 142 8.309 7.639 0.670 1
1 929 . 11 1 1 A 81 81 ILE N N 142 121.735 121.237 0.498 1
1 936 . 11 1 1 A 82 82 ASN CA C 143 56.121 55.873 0.248 1
1 937 . 11 1 1 A 82 82 ASN CB C 143 38.023 37.641 0.382 1
1 938 . 11 1 1 A 82 82 ASN HA H 143 4.369 4.388 -0.019 1
1 941 . 11 1 1 A 82 82 ASN H H 143 8.919 8.605 0.314 1
1 942 . 11 1 1 A 82 82 ASN N N 143 118.128 117.605 0.523 1
1 946 . 11 1 1 A 83 83 ALA CA C 144 55.230 54.919 0.311 1
1 947 . 11 1 1 A 83 83 ALA CB C 144 18.378 18.343 0.035 1
1 948 . 11 1 1 A 83 83 ALA HA H 144 4.310 4.017 0.293 1
1 949 . 11 1 1 A 83 83 ALA H H 144 7.687 8.211 -0.524 1
1 950 . 11 1 1 A 83 83 ALA N N 144 122.048 121.946 0.102 1
1 954 . 11 1 1 A 84 84 ARG CA C 145 58.842 59.202 -0.360 1
1 955 . 11 1 1 A 84 84 ARG CB C 145 30.415 30.603 -0.188 1
1 958 . 11 1 1 A 84 84 ARG HA H 145 4.297 4.201 0.096 1
1 963 . 11 1 1 A 84 84 ARG H H 145 8.579 7.430 1.149 1
1 964 . 11 1 1 A 84 84 ARG N N 145 119.430 117.849 1.581 1
1 966 . 11 1 1 A 85 85 LEU CA C 146 57.861 57.797 0.064 1
1 967 . 11 1 1 A 85 85 LEU CB C 146 41.584 41.562 0.022 1
1 971 . 11 1 1 A 85 85 LEU HA H 146 4.054 3.931 0.123 1
1 975 . 11 1 1 A 85 85 LEU H H 146 9.083 8.261 0.822 1
1 976 . 11 1 1 A 85 85 LEU N N 146 119.149 120.542 -1.393 1
1 983 . 11 1 1 A 86 86 ARG CA C 147 60.723 59.745 0.978 1
1 984 . 11 1 1 A 86 86 ARG CB C 147 29.549 29.775 -0.226 1
1 987 . 11 1 1 A 86 86 ARG HA H 147 3.774 4.008 -0.234 1
1 992 . 11 1 1 A 86 86 ARG H H 147 7.971 8.164 -0.193 1
1 993 . 11 1 1 A 86 86 ARG N N 147 118.395 118.793 -0.398 1
1 995 . 11 1 1 A 87 87 GLU CA C 148 59.392 59.170 0.222 1
1 996 . 11 1 1 A 87 87 GLU CB C 148 29.740 29.915 -0.175 1
1 998 . 11 1 1 A 87 87 GLU HA H 148 4.120 4.085 0.035 1
1 1003 . 11 1 1 A 87 87 GLU H H 148 7.895 8.139 -0.244 1
1 1004 . 11 1 1 A 87 87 GLU N N 148 116.934 119.384 -2.450 1
1 1005 . 11 1 1 A 88 88 GLU CA C 149 58.455 59.216 -0.761 1
1 1006 . 11 1 1 A 88 88 GLU CB C 149 29.306 29.305 0.001 1
1 1008 . 11 1 1 A 88 88 GLU HA H 149 4.279 4.026 0.253 1
1 1013 . 11 1 1 A 88 88 GLU H H 149 8.228 8.200 0.028 1
1 1014 . 11 1 1 A 88 88 GLU N N 149 116.458 120.281 -3.823 1
1 1015 . 11 1 1 A 89 89 LEU CA C 150 57.767 55.337 2.430 1
1 1016 . 11 1 1 A 89 89 LEU CB C 150 42.450 42.377 0.073 1
1 1020 . 11 1 1 A 89 89 LEU HA H 150 4.239 4.332 -0.093 1
1 1024 . 11 1 1 A 89 89 LEU H H 150 8.401 7.808 0.593 1
1 1025 . 11 1 1 A 89 89 LEU N N 150 117.854 117.925 -0.071 1
1 1032 . 11 1 1 A 90 90 ASP CA C 151 56.503 55.498 1.005 1
1 1033 . 11 1 1 A 90 90 ASP CB C 151 42.435 40.760 1.675 1
1 1034 . 11 1 1 A 90 90 ASP HA H 151 5.034 4.529 0.505 1
1 1037 . 11 1 1 A 90 90 ASP H H 151 8.524 7.924 0.600 1
1 1038 . 11 1 1 A 90 90 ASP N N 151 118.978 119.862 -0.884 1
1 1039 . 11 1 1 A 91 91 LYS CA C 152 58.455 57.817 0.638 1
1 1040 . 11 1 1 A 91 91 LYS CB C 152 33.021 33.531 -0.510 1
1 1044 . 11 1 1 A 91 91 LYS HA H 152 4.279 4.234 0.045 1
1 1049 . 11 1 1 A 91 91 LYS H H 152 7.348 7.796 -0.448 1
1 1050 . 11 1 1 A 91 91 LYS N N 152 114.172 116.763 -2.591 1
1 1053 . 11 1 1 A 92 92 ILE CA C 153 61.448 62.618 -1.170 1
1 1054 . 11 1 1 A 92 92 ILE CB C 153 39.068 37.486 1.582 1
1 1058 . 11 1 1 A 92 92 ILE HA H 153 4.427 3.704 0.723 1
1 1062 . 11 1 1 A 92 92 ILE H H 153 7.597 7.984 -0.387 1
1 1063 . 11 1 1 A 92 92 ILE N N 153 114.441 121.066 -6.625 1
1 1070 . 11 1 1 A 93 93 THR CA C 154 65.433 64.231 1.202 1
1 1071 . 11 1 1 A 93 93 THR CB C 154 67.799 69.288 -1.489 1
1 1073 . 11 1 1 A 93 93 THR HA H 154 3.879 4.026 -0.147 1
1 1075 . 11 1 1 A 93 93 THR H H 154 8.195 7.135 1.060 1
1 1076 . 11 1 1 A 93 93 THR N N 154 110.253 112.600 -2.347 1
1 1080 . 11 1 1 A 94 94 ASP CA C 155 57.822 57.735 0.087 1
1 1081 . 11 1 1 A 94 94 ASP CB C 155 41.397 41.070 0.327 1
1 1082 . 11 1 1 A 94 94 ASP HA H 155 4.514 4.271 0.243 1
1 1085 . 11 1 1 A 94 94 ASP H H 155 8.474 8.161 0.313 1
1 1086 . 11 1 1 A 94 94 ASP N N 155 124.348 122.082 2.266 1
1 1087 . 11 1 1 A 95 95 ARG CA C 156 57.783 58.678 -0.895 1
1 1088 . 11 1 1 A 95 95 ARG CB C 156 29.386 30.158 -0.772 1
1 1091 . 11 1 1 A 95 95 ARG HA H 156 4.173 4.107 0.066 1
1 1096 . 11 1 1 A 95 95 ARG H H 156 7.680 8.254 -0.574 1
1 1097 . 11 1 1 A 95 95 ARG N N 156 117.839 116.642 1.197 1
1 1099 . 11 1 1 A 96 96 TRP CB C 157 29.856 29.868 -0.012 1
1 1105 . 11 1 1 A 96 96 TRP HA H 157 4.943 4.776 0.167 1
1 1112 . 11 1 1 A 96 96 TRP H H 157 7.880 7.704 0.176 1
1 1115 . 11 1 1 A 96 96 TRP N N 157 117.944 119.160 -1.216 1
1 1117 . 11 1 1 A 97 97 GLY CA C 158 46.688 46.073 0.615 1
1 1118 . 11 1 1 A 97 97 GLY HA2 H 158 4.411 3.981 0.430 1
1 1119 . 11 1 1 A 97 97 GLY HA3 H 158 4.249 3.998 0.251 1
1 1120 . 11 1 1 A 97 97 GLY H H 158 7.972 8.073 -0.101 1
1 1121 . 11 1 1 A 97 97 GLY N N 158 104.253 109.032 -4.779 1
1 1122 . 11 1 1 A 98 98 VAL CA C 159 60.417 61.255 -0.838 1
1 1123 . 11 1 1 A 98 98 VAL CB C 159 36.365 34.474 1.891 1
1 1126 . 11 1 1 A 98 98 VAL HA H 159 5.012 4.625 0.387 1
1 1128 . 11 1 1 A 98 98 VAL H H 159 7.468 7.943 -0.475 1
1 1129 . 11 1 1 A 98 98 VAL N N 159 115.979 121.904 -5.925 1
1 1136 . 11 1 1 A 99 99 LYS CA C 160 53.521 54.447 -0.926 1
1 1137 . 11 1 1 A 99 99 LYS CB C 160 36.083 36.143 -0.060 1
1 1141 . 11 1 1 A 99 99 LYS HA H 160 5.053 5.197 -0.144 1
1 1148 . 11 1 1 A 99 99 LYS H H 160 9.259 8.618 0.641 1
1 1149 . 11 1 1 A 99 99 LYS N N 160 126.977 127.861 -0.884 1
1 1151 . 11 1 1 A 100 100 ILE CB C 161 35.185 37.019 -1.834 1
1 1155 . 11 1 1 A 100 100 ILE HA H 161 4.896 4.331 0.565 1
1 1159 . 11 1 1 A 100 100 ILE H H 161 9.310 9.014 0.296 1
1 1160 . 11 1 1 A 100 100 ILE N N 161 127.468 127.055 0.413 1
1 1167 . 11 1 1 A 101 101 THR CA C 162 63.075 64.830 -1.755 1
1 1168 . 11 1 1 A 101 101 THR CB C 162 67.345 68.994 -1.649 1
1 1170 . 11 1 1 A 101 101 THR HA H 162 4.254 4.164 0.090 1
1 1172 . 11 1 1 A 101 101 THR H H 162 8.783 8.629 0.154 1
1 1173 . 11 1 1 A 101 101 THR N N 162 120.609 120.724 -0.115 1
1 1177 . 11 1 1 A 102 102 ARG CA C 163 55.929 54.882 1.047 1
1 1178 . 11 1 1 A 102 102 ARG CB C 163 32.468 32.100 0.368 1
1 1181 . 11 1 1 A 102 102 ARG HA H 163 4.606 4.637 -0.031 1
1 1188 . 11 1 1 A 102 102 ARG H H 163 7.669 7.638 0.031 1
1 1189 . 11 1 1 A 102 102 ARG N N 163 118.258 117.945 0.313 1
1 1190 . 11 1 1 A 103 103 VAL CB C 164 35.090 35.886 -0.796 1
1 1193 . 11 1 1 A 103 103 VAL HA H 164 4.886 4.908 -0.022 1
1 1195 . 11 1 1 A 103 103 VAL H H 164 8.700 8.713 -0.013 1
1 1196 . 11 1 1 A 103 103 VAL N N 164 122.135 120.103 2.032 1
1 1203 . 11 1 1 A 104 104 GLU CA C 165 54.469 54.736 -0.267 1
1 1204 . 11 1 1 A 104 104 GLU CB C 165 33.028 32.221 0.807 1
1 1206 . 11 1 1 A 104 104 GLU HA H 165 4.835 4.968 -0.133 1
1 1209 . 11 1 1 A 104 104 GLU H H 165 9.011 8.538 0.473 1
1 1210 . 11 1 1 A 104 104 GLU N N 165 123.789 126.553 -2.764 1
1 1212 . 11 1 1 A 105 105 ILE CA C 166 61.576 59.802 1.774 1
1 1213 . 11 1 1 A 105 105 ILE CB C 166 37.908 39.018 -1.110 1
1 1217 . 11 1 1 A 105 105 ILE HA H 166 4.525 4.683 -0.158 1
1 1219 . 11 1 1 A 105 105 ILE H H 166 9.869 8.811 1.058 1
1 1220 . 11 1 1 A 105 105 ILE N N 166 130.058 125.468 4.590 1
1 1229 . 11 1 1 A 106 106 GLN CA C 167 55.964 54.153 1.811 1
1 1230 . 11 1 1 A 106 106 GLN CB C 167 28.789 30.928 -2.139 1
1 1232 . 11 1 1 A 106 106 GLN HA H 167 4.661 4.647 0.014 1
1 1239 . 11 1 1 A 106 106 GLN H H 167 8.573 8.250 0.323 1
1 1240 . 11 1 1 A 106 106 GLN N N 167 127.576 125.485 2.091 1
1 1242 . 11 1 1 A 107 107 ARG CA C 168 56.113 57.090 -0.977 1
1 1243 . 11 1 1 A 107 107 ARG CB C 168 32.098 31.140 0.958 1
1 1246 . 11 1 1 A 107 107 ARG HA H 168 4.468 4.317 0.151 1
1 1251 . 11 1 1 A 107 107 ARG H H 168 8.762 8.316 0.446 1
1 1252 . 11 1 1 A 107 107 ARG N N 168 122.725 121.426 1.299 1
1 1254 . 11 1 1 A 108 108 ILE CA C 169 61.618 59.691 1.927 1
1 1255 . 11 1 1 A 108 108 ILE CB C 169 39.583 41.007 -1.424 1
1 1259 . 11 1 1 A 108 108 ILE HA H 169 4.451 4.895 -0.444 1
1 1263 . 11 1 1 A 108 108 ILE H H 169 7.996 8.230 -0.234 1
1 1264 . 11 1 1 A 108 108 ILE N N 169 120.383 121.687 -1.304 1
1 1271 . 11 1 1 A 109 109 ASP CA C 170 51.571 50.217 1.354 1
1 1272 . 11 1 1 A 109 109 ASP CB C 170 42.763 43.285 -0.522 1
1 1273 . 11 1 1 A 109 109 ASP HA H 170 5.579 5.064 0.515 1
1 1276 . 11 1 1 A 109 109 ASP H H 170 9.067 8.514 0.553 1
1 1277 . 11 1 1 A 109 109 ASP N N 170 126.604 124.205 2.399 1
1 1278 . 11 1 1 A 110 110 PRO CA C 171 61.302 61.349 -0.047 1
1 1279 . 11 1 1 A 110 110 PRO CB C 171 30.857 31.334 -0.477 1
1 1282 . 11 1 1 A 110 110 PRO HA H 171 5.081 4.707 0.374 1
1 1288 . 11 1 1 A 111 111 PRO CA C 172 63.367 62.773 0.594 1
1 1289 . 11 1 1 A 111 111 PRO CB C 172 32.050 32.066 -0.016 1
1 1292 . 11 1 1 A 111 111 PRO HA H 172 4.568 4.606 -0.038 1
1 1298 . 11 1 1 A 112 112 LYS CA C 173 55.951 55.224 0.727 1
1 1299 . 11 1 1 A 112 112 LYS CB C 173 33.412 33.458 -0.046 1
1 1303 . 11 1 1 A 112 112 LYS HA H 173 4.465 4.636 -0.171 1
1 1306 . 11 1 1 A 112 112 LYS H H 173 8.533 8.526 0.007 1
1 1307 . 11 1 1 A 112 112 LYS N N 173 122.499 122.287 0.212 1
1 1 . 12 1 1 A 2 2 SER HA H 63 4.660 4.367 0.293 1
1 4 . 12 1 1 A 2 2 SER CB C 63 63.645 63.721 -0.076 1
1 5 . 12 1 1 A 3 3 ASP HA H 64 4.688 4.244 0.444 1
1 8 . 12 1 1 A 3 3 ASP H H 64 8.603 9.042 -0.439 1
1 9 . 12 1 1 A 3 3 ASP CA C 64 54.354 57.825 -3.471 1
1 10 . 12 1 1 A 3 3 ASP CB C 64 40.980 41.103 -0.123 1
1 11 . 12 1 1 A 3 3 ASP N N 64 122.069 124.066 -1.997 1
1 12 . 12 1 1 A 4 4 HIS HA H 65 4.735 4.734 0.001 1
1 17 . 12 1 1 A 4 4 HIS H H 65 8.354 7.988 0.366 1
1 18 . 12 1 1 A 4 4 HIS CA C 65 56.220 55.648 0.572 1
1 19 . 12 1 1 A 4 4 HIS CB C 65 30.570 29.546 1.024 1
1 22 . 12 1 1 A 4 4 HIS N N 65 119.219 118.266 0.953 1
1 29 . 12 1 1 A 5 5 VAL HA H 66 4.183 4.564 -0.381 1
1 31 . 12 1 1 A 5 5 VAL H H 66 8.073 8.484 -0.411 1
1 32 . 12 1 1 A 5 5 VAL CA C 66 62.127 59.304 2.823 1
1 33 . 12 1 1 A 5 5 VAL CB C 66 32.960 35.843 -2.883 1
1 36 . 12 1 1 A 5 5 VAL N N 66 121.775 120.211 1.564 1
1 37 . 12 1 1 A 6 6 ASP CA C 67 53.727 54.218 -0.491 1
1 38 . 12 1 1 A 6 6 ASP CB C 67 41.472 41.776 -0.304 1
1 39 . 12 1 1 A 6 6 ASP HA H 67 4.771 4.847 -0.076 1
1 42 . 12 1 1 A 6 6 ASP H H 67 8.615 8.612 0.003 1
1 43 . 12 1 1 A 6 6 ASP N N 67 124.725 123.089 1.636 1
1 44 . 12 1 1 A 7 7 LEU CA C 68 54.586 54.192 0.394 1
1 45 . 12 1 1 A 7 7 LEU CB C 68 41.657 40.842 0.815 1
1 49 . 12 1 1 A 7 7 LEU HA H 68 4.556 4.479 0.077 1
1 53 . 12 1 1 A 7 7 LEU H H 68 8.441 8.711 -0.270 1
1 54 . 12 1 1 A 7 7 LEU N N 68 123.747 123.675 0.072 1
1 61 . 12 1 1 A 8 8 ARG CA C 69 56.247 56.060 0.187 1
1 62 . 12 1 1 A 8 8 ARG CB C 69 30.828 30.260 0.568 1
1 65 . 12 1 1 A 8 8 ARG HA H 69 4.253 4.301 -0.048 1
1 70 . 12 1 1 A 8 8 ARG H H 69 8.209 7.514 0.695 1
1 71 . 12 1 1 A 8 8 ARG N N 69 121.063 118.976 2.087 1
1 73 . 12 1 1 A 9 9 GLU CA C 70 55.691 54.379 1.312 1
1 74 . 12 1 1 A 9 9 GLU CB C 70 31.777 32.721 -0.944 1
1 76 . 12 1 1 A 9 9 GLU HA H 70 4.655 4.832 -0.177 1
1 79 . 12 1 1 A 9 9 GLU H H 70 8.338 8.780 -0.442 1
1 80 . 12 1 1 A 9 9 GLU N N 70 121.677 121.266 0.411 1
1 82 . 12 1 1 A 10 10 HIS CA C 71 54.619 54.973 -0.354 1
1 83 . 12 1 1 A 10 10 HIS CB C 71 32.189 31.520 0.669 1
1 86 . 12 1 1 A 10 10 HIS HA H 71 4.716 4.823 -0.107 1
1 91 . 12 1 1 A 10 10 HIS H H 71 9.043 8.740 0.303 1
1 92 . 12 1 1 A 10 10 HIS N N 71 125.575 120.274 5.301 1
1 93 . 12 1 1 A 11 11 VAL CA C 72 60.567 59.559 1.008 1
1 94 . 12 1 1 A 11 11 VAL CB C 72 35.380 34.333 1.047 1
1 97 . 12 1 1 A 11 11 VAL HA H 72 4.951 4.886 0.065 1
1 99 . 12 1 1 A 11 11 VAL H H 72 8.218 8.525 -0.307 1
1 100 . 12 1 1 A 11 11 VAL N N 72 117.348 119.216 -1.868 1
1 107 . 12 1 1 A 12 12 ILE CA C 73 59.857 60.028 -0.171 1
1 108 . 12 1 1 A 12 12 ILE CB C 73 41.969 40.130 1.839 1
1 112 . 12 1 1 A 12 12 ILE HA H 73 4.464 4.882 -0.418 1
1 116 . 12 1 1 A 12 12 ILE H H 73 9.272 8.918 0.354 1
1 117 . 12 1 1 A 12 12 ILE N N 73 126.908 128.915 -2.007 1
1 124 . 12 1 1 A 13 13 ASP CB C 74 41.534 41.674 -0.140 1
1 125 . 12 1 1 A 13 13 ASP HA H 74 4.885 5.090 -0.205 1
1 128 . 12 1 1 A 13 13 ASP H H 74 8.501 8.806 -0.305 1
1 129 . 12 1 1 A 13 13 ASP N N 74 126.253 127.661 -1.408 1
1 130 . 12 1 1 A 14 14 VAL CA C 75 59.550 58.465 1.085 1
1 131 . 12 1 1 A 14 14 VAL CB C 75 32.270 34.467 -2.197 1
1 134 . 12 1 1 A 14 14 VAL HA H 75 4.491 4.860 -0.369 1
1 136 . 12 1 1 A 14 14 VAL H H 75 8.758 9.031 -0.273 1
1 137 . 12 1 1 A 14 14 VAL N N 75 124.997 123.719 1.278 1
1 144 . 12 1 1 A 15 15 PRO CB C 76 30.981 31.737 -0.756 1
1 147 . 12 1 1 A 15 15 PRO HA H 76 4.837 4.676 0.161 1
1 153 . 12 1 1 A 16 16 PRO CB C 77 32.267 33.114 -0.847 1
1 156 . 12 1 1 A 16 16 PRO HA H 77 4.881 4.803 0.078 1
1 162 . 12 1 1 A 17 17 GLN CA C 78 53.332 54.400 -1.068 1
1 163 . 12 1 1 A 17 17 GLN CB C 78 33.352 32.605 0.747 1
1 165 . 12 1 1 A 17 17 GLN HA H 78 4.768 4.720 0.048 1
1 170 . 12 1 1 A 17 17 GLN H H 78 8.612 8.239 0.373 1
1 171 . 12 1 1 A 17 17 GLN N N 78 119.550 119.215 0.335 1
1 175 . 12 1 1 A 18 18 GLU CA C 79 55.955 56.172 -0.217 1
1 176 . 12 1 1 A 18 18 GLU CB C 79 30.087 29.536 0.551 1
1 178 . 12 1 1 A 18 18 GLU HA H 79 5.070 4.980 0.090 1
1 183 . 12 1 1 A 18 18 GLU H H 79 8.626 8.652 -0.026 1
1 184 . 12 1 1 A 18 18 GLU N N 79 123.226 123.600 -0.374 1
1 185 . 12 1 1 A 19 19 VAL CA C 80 60.191 60.927 -0.736 1
1 186 . 12 1 1 A 19 19 VAL CB C 80 34.901 33.357 1.544 1
1 189 . 12 1 1 A 19 19 VAL HA H 80 4.562 4.768 -0.206 1
1 191 . 12 1 1 A 19 19 VAL H H 80 9.568 8.105 1.463 1
1 192 . 12 1 1 A 19 19 VAL N N 80 123.365 118.563 4.802 1
1 199 . 12 1 1 A 20 20 ILE CA C 81 60.810 61.603 -0.793 1
1 200 . 12 1 1 A 20 20 ILE CB C 81 39.198 37.190 2.008 1
1 204 . 12 1 1 A 20 20 ILE HA H 81 4.678 4.013 0.665 1
1 208 . 12 1 1 A 20 20 ILE H H 81 8.048 8.708 -0.660 1
1 209 . 12 1 1 A 20 20 ILE N N 81 122.564 125.264 -2.700 1
1 216 . 12 1 1 A 21 21 CYS CB C 82 29.386 28.847 0.539 1
1 217 . 12 1 1 A 21 21 CYS HA H 82 4.932 4.496 0.436 1
1 220 . 12 1 1 A 21 21 CYS H H 82 8.796 8.978 -0.182 1
1 221 . 12 1 1 A 21 21 CYS N N 82 125.960 126.807 -0.847 1
1 222 . 12 1 1 A 22 22 LYS CA C 83 59.330 59.683 -0.353 1
1 223 . 12 1 1 A 22 22 LYS CB C 83 33.478 32.182 1.296 1
1 227 . 12 1 1 A 22 22 LYS HA H 83 4.096 4.031 0.065 1
1 234 . 12 1 1 A 22 22 LYS H H 83 8.735 8.734 0.001 1
1 235 . 12 1 1 A 22 22 LYS N N 83 123.785 125.099 -1.314 1
1 237 . 12 1 1 A 23 23 ASP CA C 84 53.011 53.945 -0.934 1
1 238 . 12 1 1 A 23 23 ASP CB C 84 38.642 40.765 -2.123 1
1 239 . 12 1 1 A 23 23 ASP HA H 84 4.694 4.741 -0.047 1
1 242 . 12 1 1 A 23 23 ASP H H 84 8.667 7.930 0.737 1
1 243 . 12 1 1 A 23 23 ASP N N 84 112.676 116.293 -3.617 1
1 244 . 12 1 1 A 24 24 ASN CA C 85 54.989 54.078 0.911 1
1 245 . 12 1 1 A 24 24 ASN CB C 85 36.698 37.076 -0.378 1
1 246 . 12 1 1 A 24 24 ASN HA H 85 4.321 4.385 -0.064 1
1 251 . 12 1 1 A 24 24 ASN H H 85 8.264 7.889 0.375 1
1 252 . 12 1 1 A 24 24 ASN N N 85 112.321 116.679 -4.358 1
1 254 . 12 1 1 A 25 25 VAL CA C 86 61.920 60.946 0.974 1
1 255 . 12 1 1 A 25 25 VAL CB C 86 33.581 34.063 -0.482 1
1 258 . 12 1 1 A 25 25 VAL HA H 86 4.247 4.450 -0.203 1
1 260 . 12 1 1 A 25 25 VAL H H 86 6.817 7.618 -0.801 1
1 261 . 12 1 1 A 25 25 VAL N N 86 117.663 118.682 -1.019 1
1 268 . 12 1 1 A 26 26 VAL CA C 87 62.127 62.947 -0.820 1
1 269 . 12 1 1 A 26 26 VAL CB C 87 32.468 31.036 1.432 1
1 272 . 12 1 1 A 26 26 VAL HA H 87 4.710 4.265 0.445 1
1 274 . 12 1 1 A 26 26 VAL H H 87 8.467 8.710 -0.243 1
1 275 . 12 1 1 A 26 26 VAL N N 87 128.149 127.973 0.176 1
1 282 . 12 1 1 A 27 27 VAL CA C 88 58.409 59.068 -0.659 1
1 283 . 12 1 1 A 27 27 VAL CB C 88 34.991 35.843 -0.852 1
1 286 . 12 1 1 A 27 27 VAL HA H 88 4.995 4.954 0.041 1
1 288 . 12 1 1 A 27 27 VAL H H 88 8.983 8.840 0.143 1
1 289 . 12 1 1 A 27 27 VAL N N 88 119.421 121.514 -2.093 1
1 296 . 12 1 1 A 28 28 THR CA C 89 62.180 62.305 -0.125 1
1 297 . 12 1 1 A 28 28 THR CB C 89 69.351 69.409 -0.058 1
1 299 . 12 1 1 A 28 28 THR HA H 89 5.249 4.844 0.405 1
1 301 . 12 1 1 A 28 28 THR H H 89 8.544 8.684 -0.140 1
1 302 . 12 1 1 A 28 28 THR N N 89 118.810 119.064 -0.254 1
1 306 . 12 1 1 A 29 29 VAL CA C 90 58.826 59.479 -0.653 1
1 307 . 12 1 1 A 29 29 VAL CB C 90 36.035 34.867 1.168 1
1 310 . 12 1 1 A 29 29 VAL HA H 90 5.527 5.016 0.511 1
1 312 . 12 1 1 A 29 29 VAL H H 90 8.818 8.519 0.299 1
1 313 . 12 1 1 A 29 29 VAL N N 90 123.670 127.207 -3.537 1
1 320 . 12 1 1 A 30 30 ASP CA C 91 52.821 52.535 0.286 1
1 321 . 12 1 1 A 30 30 ASP CB C 91 42.960 45.026 -2.066 1
1 322 . 12 1 1 A 30 30 ASP HA H 91 4.785 5.548 -0.763 1
1 325 . 12 1 1 A 30 30 ASP H H 91 8.478 9.252 -0.774 1
1 326 . 12 1 1 A 30 30 ASP N N 91 125.411 126.683 -1.272 1
1 327 . 12 1 1 A 31 31 ALA CA C 92 51.718 51.319 0.399 1
1 328 . 12 1 1 A 31 31 ALA CB C 92 22.216 23.609 -1.393 1
1 329 . 12 1 1 A 31 31 ALA HA H 92 5.268 4.953 0.315 1
1 330 . 12 1 1 A 31 31 ALA H H 92 8.075 8.385 -0.310 1
1 331 . 12 1 1 A 31 31 ALA N N 92 116.806 120.684 -3.878 1
1 335 . 12 1 1 A 32 32 VAL CB C 93 34.772 34.225 0.547 1
1 338 . 12 1 1 A 32 32 VAL HA H 93 4.901 5.035 -0.134 1
1 340 . 12 1 1 A 32 32 VAL H H 93 8.306 8.656 -0.350 1
1 341 . 12 1 1 A 32 32 VAL N N 93 117.482 115.571 1.911 1
1 348 . 12 1 1 A 33 33 VAL CA C 94 61.058 61.082 -0.024 1
1 349 . 12 1 1 A 33 33 VAL CB C 94 34.773 35.304 -0.531 1
1 352 . 12 1 1 A 33 33 VAL HA H 94 4.515 4.891 -0.376 1
1 354 . 12 1 1 A 33 33 VAL H H 94 8.873 8.655 0.218 1
1 355 . 12 1 1 A 33 33 VAL N N 94 124.653 121.810 2.843 1
1 362 . 12 1 1 A 34 34 TYR CA C 95 56.333 57.569 -1.236 1
1 363 . 12 1 1 A 34 34 TYR CB C 95 40.336 40.920 -0.584 1
1 366 . 12 1 1 A 34 34 TYR HA H 95 5.834 5.584 0.250 1
1 371 . 12 1 1 A 34 34 TYR H H 95 8.989 8.612 0.377 1
1 372 . 12 1 1 A 34 34 TYR N N 95 126.081 127.151 -1.070 1
1 375 . 12 1 1 A 35 35 TYR CA C 96 55.679 56.515 -0.836 1
1 376 . 12 1 1 A 35 35 TYR CB C 96 42.824 41.035 1.789 1
1 379 . 12 1 1 A 35 35 TYR HA H 96 6.097 5.613 0.484 1
1 384 . 12 1 1 A 35 35 TYR H H 96 9.102 8.347 0.755 1
1 385 . 12 1 1 A 35 35 TYR N N 96 117.188 118.865 -1.677 1
1 388 . 12 1 1 A 36 36 GLN CB C 97 33.643 32.098 1.545 1
1 390 . 12 1 1 A 36 36 GLN HA H 97 4.942 4.916 0.026 1
1 395 . 12 1 1 A 36 36 GLN H H 97 9.441 8.430 1.011 1
1 396 . 12 1 1 A 36 36 GLN N N 97 118.000 119.429 -1.429 1
1 399 . 12 1 1 A 37 37 VAL CA C 98 63.621 63.523 0.098 1
1 400 . 12 1 1 A 37 37 VAL CB C 98 31.380 30.815 0.565 1
1 403 . 12 1 1 A 37 37 VAL HA H 98 4.286 4.004 0.282 1
1 405 . 12 1 1 A 37 37 VAL H H 98 9.692 8.963 0.729 1
1 406 . 12 1 1 A 37 37 VAL N N 98 126.436 123.879 2.557 1
1 413 . 12 1 1 A 38 38 ILE CA C 99 61.011 62.171 -1.160 1
1 414 . 12 1 1 A 38 38 ILE CB C 99 38.943 38.537 0.406 1
1 418 . 12 1 1 A 38 38 ILE HA H 99 4.514 4.233 0.281 1
1 422 . 12 1 1 A 38 38 ILE H H 99 8.540 8.730 -0.190 1
1 423 . 12 1 1 A 38 38 ILE N N 99 123.480 124.445 -0.965 1
1 430 . 12 1 1 A 39 39 ASP CA C 100 50.850 50.900 -0.050 1
1 431 . 12 1 1 A 39 39 ASP CB C 100 41.979 42.348 -0.369 1
1 432 . 12 1 1 A 39 39 ASP HA H 100 5.326 5.030 0.296 1
1 435 . 12 1 1 A 39 39 ASP H H 100 8.135 7.594 0.541 1
1 436 . 12 1 1 A 39 39 ASP N N 100 119.056 122.537 -3.481 1
1 437 . 12 1 1 A 40 40 PRO CA C 101 64.279 65.285 -1.006 1
1 438 . 12 1 1 A 40 40 PRO CB C 101 32.510 32.018 0.492 1
1 441 . 12 1 1 A 40 40 PRO HA H 101 4.299 4.255 0.044 1
1 448 . 12 1 1 A 41 41 VAL CA C 102 65.120 65.205 -0.085 1
1 449 . 12 1 1 A 41 41 VAL CB C 102 31.406 31.268 0.138 1
1 452 . 12 1 1 A 41 41 VAL HA H 102 3.886 3.874 0.012 1
1 454 . 12 1 1 A 41 41 VAL H H 102 7.936 8.424 -0.488 1
1 455 . 12 1 1 A 41 41 VAL N N 102 118.168 115.910 2.258 1
1 462 . 12 1 1 A 42 42 LYS CA C 103 57.852 56.762 1.090 1
1 463 . 12 1 1 A 42 42 LYS CB C 103 33.597 33.910 -0.313 1
1 467 . 12 1 1 A 42 42 LYS HA H 103 4.242 4.506 -0.264 1
1 472 . 12 1 1 A 42 42 LYS H H 103 7.240 8.017 -0.777 1
1 473 . 12 1 1 A 42 42 LYS N N 103 118.280 120.035 -1.755 1
1 476 . 12 1 1 A 43 43 ALA CA C 104 53.615 51.322 2.293 1
1 477 . 12 1 1 A 43 43 ALA CB C 104 18.578 19.054 -0.476 1
1 478 . 12 1 1 A 43 43 ALA HA H 104 4.632 4.551 0.081 1
1 479 . 12 1 1 A 43 43 ALA H H 104 7.702 7.732 -0.030 1
1 480 . 12 1 1 A 43 43 ALA N N 104 122.122 121.092 1.030 1
1 484 . 12 1 1 A 44 44 VAL CA C 105 62.530 62.486 0.044 1
1 485 . 12 1 1 A 44 44 VAL CB C 105 31.680 31.800 -0.120 1
1 488 . 12 1 1 A 44 44 VAL HA H 105 4.197 4.220 -0.023 1
1 490 . 12 1 1 A 44 44 VAL H H 105 7.682 7.740 -0.058 1
1 491 . 12 1 1 A 44 44 VAL N N 105 115.037 118.671 -3.634 1
1 498 . 12 1 1 A 45 45 TYR CA C 106 57.222 57.154 0.068 1
1 499 . 12 1 1 A 45 45 TYR CB C 106 38.651 38.018 0.633 1
1 502 . 12 1 1 A 45 45 TYR HA H 106 4.652 4.769 -0.117 1
1 505 . 12 1 1 A 45 45 TYR H H 106 7.436 7.351 0.085 1
1 506 . 12 1 1 A 45 45 TYR N N 106 118.804 119.814 -1.010 1
1 510 . 12 1 1 A 46 46 ASN CB C 107 39.028 36.807 2.221 1
1 511 . 12 1 1 A 46 46 ASN HA H 107 4.959 4.333 0.626 1
1 516 . 12 1 1 A 46 46 ASN H H 107 8.614 8.076 0.538 1
1 517 . 12 1 1 A 46 46 ASN N N 107 118.495 113.848 4.647 1
1 519 . 12 1 1 A 47 47 VAL CA C 108 65.178 63.093 2.085 1
1 520 . 12 1 1 A 47 47 VAL CB C 108 32.022 29.582 2.440 1
1 523 . 12 1 1 A 47 47 VAL HA H 108 3.952 3.671 0.281 1
1 525 . 12 1 1 A 47 47 VAL H H 108 8.342 8.042 0.300 1
1 526 . 12 1 1 A 47 47 VAL N N 108 123.377 117.718 5.659 1
1 533 . 12 1 1 A 48 48 SER CA C 109 61.473 61.196 0.277 1
1 534 . 12 1 1 A 48 48 SER CB C 109 62.248 63.320 -1.072 1
1 535 . 12 1 1 A 48 48 SER HA H 109 4.298 4.419 -0.121 1
1 536 . 12 1 1 A 48 48 SER H H 109 8.353 8.092 0.261 1
1 537 . 12 1 1 A 48 48 SER N N 109 116.439 117.828 -1.389 1
1 539 . 12 1 1 A 49 49 ASP CA C 110 56.211 57.164 -0.953 1
1 540 . 12 1 1 A 49 49 ASP CB C 110 40.691 39.936 0.755 1
1 541 . 12 1 1 A 49 49 ASP HA H 110 4.534 4.127 0.407 1
1 542 . 12 1 1 A 49 49 ASP H H 110 7.832 8.297 -0.465 1
1 543 . 12 1 1 A 49 49 ASP N N 110 121.141 121.729 -0.588 1
1 545 . 12 1 1 A 50 50 PHE CA C 111 60.009 61.328 -1.319 1
1 546 . 12 1 1 A 50 50 PHE CB C 111 38.598 39.189 -0.591 1
1 550 . 12 1 1 A 50 50 PHE HA H 111 3.486 4.018 -0.532 1
1 555 . 12 1 1 A 50 50 PHE H H 111 8.044 8.082 -0.038 1
1 557 . 12 1 1 A 50 50 PHE N N 111 122.621 121.745 0.876 1
1 560 . 12 1 1 A 51 51 LEU CA C 112 58.009 58.167 -0.158 1
1 561 . 12 1 1 A 51 51 LEU CB C 112 41.213 41.777 -0.564 1
1 565 . 12 1 1 A 51 51 LEU HA H 112 3.546 3.584 -0.038 1
1 569 . 12 1 1 A 51 51 LEU H H 112 8.046 8.265 -0.219 1
1 570 . 12 1 1 A 51 51 LEU N N 112 119.691 120.472 -0.781 1
1 577 . 12 1 1 A 52 52 MET CA C 113 57.696 58.153 -0.457 1
1 578 . 12 1 1 A 52 52 MET CB C 113 32.289 32.096 0.193 1
1 581 . 12 1 1 A 52 52 MET HA H 113 4.231 4.123 0.108 1
1 586 . 12 1 1 A 52 52 MET H H 113 7.563 8.422 -0.859 1
1 587 . 12 1 1 A 52 52 MET N N 113 115.770 116.985 -1.215 1
1 591 . 12 1 1 A 53 53 ALA CA C 114 54.815 55.110 -0.295 1
1 592 . 12 1 1 A 53 53 ALA CB C 114 18.369 18.929 -0.560 1
1 593 . 12 1 1 A 53 53 ALA HA H 114 4.199 4.040 0.159 1
1 594 . 12 1 1 A 53 53 ALA H H 114 7.878 7.960 -0.082 1
1 595 . 12 1 1 A 53 53 ALA N N 114 121.804 122.391 -0.587 1
1 599 . 12 1 1 A 54 54 ILE CA C 115 63.259 64.905 -1.646 1
1 600 . 12 1 1 A 54 54 ILE CB C 115 36.127 37.464 -1.337 1
1 604 . 12 1 1 A 54 54 ILE HA H 115 3.767 3.637 0.130 1
1 608 . 12 1 1 A 54 54 ILE H H 115 8.202 8.237 -0.035 1
1 609 . 12 1 1 A 54 54 ILE N N 115 118.054 117.765 0.289 1
1 616 . 12 1 1 A 55 55 VAL CA C 116 68.036 67.164 0.872 1
1 617 . 12 1 1 A 55 55 VAL CB C 116 31.463 31.540 -0.077 1
1 620 . 12 1 1 A 55 55 VAL HA H 116 3.509 3.474 0.035 1
1 622 . 12 1 1 A 55 55 VAL H H 116 7.961 7.507 0.454 1
1 623 . 12 1 1 A 55 55 VAL N N 116 121.095 119.917 1.178 1
1 630 . 12 1 1 A 56 56 LYS CA C 117 59.077 59.632 -0.555 1
1 631 . 12 1 1 A 56 56 LYS CB C 117 31.997 32.446 -0.449 1
1 635 . 12 1 1 A 56 56 LYS HA H 117 4.297 3.987 0.310 1
1 638 . 12 1 1 A 56 56 LYS H H 117 8.000 7.590 0.410 1
1 639 . 12 1 1 A 56 56 LYS N N 117 118.806 118.553 0.253 1
1 643 . 12 1 1 A 57 57 LEU CA C 118 57.515 58.123 -0.608 1
1 644 . 12 1 1 A 57 57 LEU CB C 118 42.727 41.656 1.071 1
1 648 . 12 1 1 A 57 57 LEU HA H 118 4.286 3.920 0.366 1
1 652 . 12 1 1 A 57 57 LEU H H 118 8.390 8.441 -0.051 1
1 653 . 12 1 1 A 57 57 LEU N N 118 120.738 120.358 0.380 1
1 660 . 12 1 1 A 58 58 ALA CA C 119 55.695 55.530 0.165 1
1 661 . 12 1 1 A 58 58 ALA CB C 119 17.984 18.574 -0.590 1
1 662 . 12 1 1 A 58 58 ALA HA H 119 4.131 4.057 0.074 1
1 663 . 12 1 1 A 58 58 ALA H H 119 9.213 8.535 0.678 1
1 664 . 12 1 1 A 58 58 ALA N N 119 123.641 120.127 3.514 1
1 668 . 12 1 1 A 59 59 GLN CA C 120 60.234 58.979 1.255 1
1 669 . 12 1 1 A 59 59 GLN CB C 120 28.353 28.296 0.057 1
1 671 . 12 1 1 A 59 59 GLN HA H 120 3.972 4.040 -0.068 1
1 678 . 12 1 1 A 59 59 GLN H H 120 8.649 7.861 0.788 1
1 679 . 12 1 1 A 59 59 GLN N N 120 116.453 117.344 -0.891 1
1 681 . 12 1 1 A 60 60 THR CA C 121 66.360 66.040 0.320 1
1 682 . 12 1 1 A 60 60 THR CB C 121 68.868 69.181 -0.313 1
1 684 . 12 1 1 A 60 60 THR HA H 121 4.076 4.108 -0.032 1
1 686 . 12 1 1 A 60 60 THR H H 121 8.566 7.937 0.629 1
1 687 . 12 1 1 A 60 60 THR N N 121 115.479 115.325 0.154 1
1 691 . 12 1 1 A 61 61 ASN CA C 122 57.397 56.084 1.313 1
1 692 . 12 1 1 A 61 61 ASN CB C 122 39.535 38.388 1.147 1
1 693 . 12 1 1 A 61 61 ASN HA H 122 4.626 4.414 0.212 1
1 698 . 12 1 1 A 61 61 ASN H H 122 8.433 8.657 -0.224 1
1 699 . 12 1 1 A 61 61 ASN N N 122 120.652 118.842 1.810 1
1 701 . 12 1 1 A 62 62 LEU CA C 123 58.804 58.404 0.400 1
1 702 . 12 1 1 A 62 62 LEU CB C 123 42.331 41.733 0.598 1
1 706 . 12 1 1 A 62 62 LEU HA H 123 4.068 4.010 0.058 1
1 710 . 12 1 1 A 62 62 LEU H H 123 8.837 8.407 0.430 1
1 711 . 12 1 1 A 62 62 LEU N N 123 121.425 117.624 3.801 1
1 718 . 12 1 1 A 63 63 ARG CA C 124 59.647 59.182 0.465 1
1 719 . 12 1 1 A 63 63 ARG CB C 124 30.112 29.988 0.124 1
1 722 . 12 1 1 A 63 63 ARG HA H 124 4.030 3.967 0.063 1
1 727 . 12 1 1 A 63 63 ARG H H 124 7.502 8.278 -0.776 1
1 728 . 12 1 1 A 63 63 ARG N N 124 116.156 119.703 -3.547 1
1 730 . 12 1 1 A 64 64 ALA CA C 125 54.793 55.016 -0.223 1
1 731 . 12 1 1 A 64 64 ALA CB C 125 18.471 18.930 -0.459 1
1 732 . 12 1 1 A 64 64 ALA HA H 125 4.260 4.008 0.252 1
1 733 . 12 1 1 A 64 64 ALA H H 125 7.637 8.379 -0.742 1
1 734 . 12 1 1 A 64 64 ALA N N 125 121.808 121.741 0.067 1
1 738 . 12 1 1 A 65 65 ILE CA C 126 64.917 64.803 0.114 1
1 739 . 12 1 1 A 65 65 ILE CB C 126 39.599 37.939 1.660 1
1 743 . 12 1 1 A 65 65 ILE HA H 126 3.745 3.728 0.017 1
1 747 . 12 1 1 A 65 65 ILE H H 126 8.476 7.394 1.082 1
1 748 . 12 1 1 A 65 65 ILE N N 126 117.948 117.429 0.519 1
1 755 . 12 1 1 A 66 66 ILE CA C 127 64.704 65.035 -0.331 1
1 756 . 12 1 1 A 66 66 ILE CB C 127 37.188 37.935 -0.747 1
1 760 . 12 1 1 A 66 66 ILE HA H 127 3.826 3.749 0.077 1
1 764 . 12 1 1 A 66 66 ILE H H 127 8.130 8.265 -0.135 1
1 765 . 12 1 1 A 66 66 ILE N N 127 118.919 119.440 -0.521 1
1 772 . 12 1 1 A 67 67 GLY CA C 128 46.401 46.959 -0.558 1
1 773 . 12 1 1 A 67 67 GLY HA2 H 128 4.437 3.963 0.474 1
1 774 . 12 1 1 A 67 67 GLY HA3 H 128 3.925 3.963 -0.038 1
1 775 . 12 1 1 A 67 67 GLY H H 128 7.683 7.869 -0.186 1
1 776 . 12 1 1 A 67 67 GLY N N 128 104.485 109.157 -4.672 1
1 777 . 12 1 1 A 68 68 GLU CA C 129 55.446 55.214 0.232 1
1 778 . 12 1 1 A 68 68 GLU CB C 129 30.672 31.325 -0.653 1
1 780 . 12 1 1 A 68 68 GLU HA H 129 4.589 4.858 -0.269 1
1 785 . 12 1 1 A 68 68 GLU H H 129 7.111 7.900 -0.789 1
1 786 . 12 1 1 A 68 68 GLU N N 129 115.084 116.552 -1.468 1
1 787 . 12 1 1 A 69 69 MET CA C 130 55.238 54.789 0.449 1
1 788 . 12 1 1 A 69 69 MET CB C 130 36.559 36.454 0.105 1
1 791 . 12 1 1 A 69 69 MET HA H 130 4.763 4.822 -0.059 1
1 796 . 12 1 1 A 69 69 MET H H 130 8.414 8.584 -0.170 1
1 797 . 12 1 1 A 69 69 MET N N 130 121.732 121.621 0.111 1
1 801 . 12 1 1 A 70 70 GLU CA C 131 56.474 54.557 1.917 1
1 802 . 12 1 1 A 70 70 GLU CB C 131 30.686 32.332 -1.646 1
1 804 . 12 1 1 A 70 70 GLU HA H 131 4.354 4.856 -0.502 1
1 809 . 12 1 1 A 70 70 GLU H H 131 9.395 8.603 0.792 1
1 810 . 12 1 1 A 70 70 GLU N N 131 122.754 119.653 3.101 1
1 811 . 12 1 1 A 71 71 LEU CA C 132 59.955 58.543 1.412 1
1 812 . 12 1 1 A 71 71 LEU CB C 132 40.900 41.993 -1.093 1
1 816 . 12 1 1 A 71 71 LEU HA H 132 4.454 3.950 0.504 1
1 820 . 12 1 1 A 71 71 LEU H H 132 10.320 8.755 1.565 1
1 821 . 12 1 1 A 71 71 LEU N N 132 127.791 128.154 -0.363 1
1 828 . 12 1 1 A 72 72 ASP CA C 133 57.961 56.982 0.979 1
1 829 . 12 1 1 A 72 72 ASP CB C 133 40.031 41.238 -1.207 1
1 830 . 12 1 1 A 72 72 ASP HA H 133 4.452 4.391 0.061 1
1 831 . 12 1 1 A 72 72 ASP H H 133 9.283 8.130 1.153 1
1 832 . 12 1 1 A 72 72 ASP N N 133 117.573 118.923 -1.350 1
1 834 . 12 1 1 A 73 73 GLU CA C 134 58.070 59.463 -1.393 1
1 835 . 12 1 1 A 73 73 GLU CB C 134 30.329 29.562 0.767 1
1 837 . 12 1 1 A 73 73 GLU HA H 134 4.166 4.056 0.110 1
1 842 . 12 1 1 A 73 73 GLU H H 134 7.307 8.170 -0.863 1
1 843 . 12 1 1 A 73 73 GLU N N 134 118.947 118.923 0.024 1
1 844 . 12 1 1 A 74 74 THR CA C 135 67.017 65.928 1.089 1
1 845 . 12 1 1 A 74 74 THR CB C 135 68.224 68.175 0.049 1
1 847 . 12 1 1 A 74 74 THR HA H 135 3.966 4.214 -0.248 1
1 849 . 12 1 1 A 74 74 THR H H 135 8.334 8.604 -0.270 1
1 850 . 12 1 1 A 74 74 THR N N 135 116.702 114.189 2.513 1
1 854 . 12 1 1 A 75 75 LEU CA C 136 57.604 57.776 -0.172 1
1 855 . 12 1 1 A 75 75 LEU CB C 136 41.375 41.719 -0.344 1
1 859 . 12 1 1 A 75 75 LEU HA H 136 4.164 3.999 0.165 1
1 863 . 12 1 1 A 75 75 LEU H H 136 8.159 8.495 -0.336 1
1 864 . 12 1 1 A 75 75 LEU N N 136 118.009 123.234 -5.225 1
1 871 . 12 1 1 A 76 76 SER CA C 137 58.446 62.623 -4.177 1
1 872 . 12 1 1 A 76 76 SER CB C 137 63.709 62.368 1.341 1
1 873 . 12 1 1 A 76 76 SER HA H 137 4.808 4.133 0.675 1
1 876 . 12 1 1 A 76 76 SER H H 137 7.713 8.154 -0.441 1
1 877 . 12 1 1 A 76 76 SER N N 137 111.428 114.449 -3.021 1
1 878 . 12 1 1 A 77 77 GLY CA C 138 46.311 47.172 -0.861 1
1 879 . 12 1 1 A 77 77 GLY HA2 H 138 4.815 3.906 0.909 1
1 880 . 12 1 1 A 77 77 GLY HA3 H 138 3.860 3.907 -0.047 1
1 881 . 12 1 1 A 77 77 GLY H H 138 7.779 8.648 -0.869 1
1 882 . 12 1 1 A 77 77 GLY N N 138 112.185 108.522 3.663 1
1 883 . 12 1 1 A 78 78 ARG CA C 139 61.186 57.856 3.330 1
1 884 . 12 1 1 A 78 78 ARG CB C 139 29.871 30.636 -0.765 1
1 887 . 12 1 1 A 78 78 ARG HA H 139 3.853 4.224 -0.371 1
1 892 . 12 1 1 A 78 78 ARG H H 139 8.311 8.622 -0.311 1
1 893 . 12 1 1 A 78 78 ARG N N 139 121.172 123.994 -2.822 1
1 895 . 12 1 1 A 79 79 ASP CA C 140 57.533 56.933 0.600 1
1 896 . 12 1 1 A 79 79 ASP CB C 140 39.905 41.910 -2.005 1
1 897 . 12 1 1 A 79 79 ASP HA H 140 4.630 4.358 0.272 1
1 900 . 12 1 1 A 79 79 ASP H H 140 8.749 8.235 0.514 1
1 901 . 12 1 1 A 79 79 ASP N N 140 114.843 120.496 -5.653 1
1 902 . 12 1 1 A 80 80 ILE CA C 141 63.732 64.878 -1.146 1
1 903 . 12 1 1 A 80 80 ILE CB C 141 38.239 37.780 0.459 1
1 907 . 12 1 1 A 80 80 ILE HA H 141 4.070 3.660 0.410 1
1 911 . 12 1 1 A 80 80 ILE H H 141 7.565 7.914 -0.349 1
1 912 . 12 1 1 A 80 80 ILE N N 141 121.986 119.197 2.789 1
1 919 . 12 1 1 A 81 81 ILE CA C 142 66.387 65.578 0.809 1
1 920 . 12 1 1 A 81 81 ILE CB C 142 38.194 37.602 0.592 1
1 924 . 12 1 1 A 81 81 ILE HA H 142 3.531 3.654 -0.123 1
1 928 . 12 1 1 A 81 81 ILE H H 142 8.309 8.092 0.217 1
1 929 . 12 1 1 A 81 81 ILE N N 142 121.735 120.442 1.293 1
1 936 . 12 1 1 A 82 82 ASN CA C 143 56.121 55.940 0.181 1
1 937 . 12 1 1 A 82 82 ASN CB C 143 38.023 37.424 0.599 1
1 938 . 12 1 1 A 82 82 ASN HA H 143 4.369 4.357 0.012 1
1 941 . 12 1 1 A 82 82 ASN H H 143 8.919 8.389 0.530 1
1 942 . 12 1 1 A 82 82 ASN N N 143 118.128 118.352 -0.224 1
1 946 . 12 1 1 A 83 83 ALA CA C 144 55.230 55.403 -0.173 1
1 947 . 12 1 1 A 83 83 ALA CB C 144 18.378 18.563 -0.185 1
1 948 . 12 1 1 A 83 83 ALA HA H 144 4.310 4.012 0.298 1
1 949 . 12 1 1 A 83 83 ALA H H 144 7.687 8.213 -0.526 1
1 950 . 12 1 1 A 83 83 ALA N N 144 122.048 121.463 0.585 1
1 954 . 12 1 1 A 84 84 ARG CA C 145 58.842 59.275 -0.433 1
1 955 . 12 1 1 A 84 84 ARG CB C 145 30.415 30.014 0.401 1
1 958 . 12 1 1 A 84 84 ARG HA H 145 4.297 3.898 0.399 1
1 963 . 12 1 1 A 84 84 ARG H H 145 8.579 8.078 0.501 1
1 964 . 12 1 1 A 84 84 ARG N N 145 119.430 117.933 1.497 1
1 966 . 12 1 1 A 85 85 LEU CA C 146 57.861 57.742 0.119 1
1 967 . 12 1 1 A 85 85 LEU CB C 146 41.584 41.442 0.142 1
1 971 . 12 1 1 A 85 85 LEU HA H 146 4.054 3.888 0.166 1
1 975 . 12 1 1 A 85 85 LEU H H 146 9.083 7.723 1.360 1
1 976 . 12 1 1 A 85 85 LEU N N 146 119.149 120.465 -1.316 1
1 983 . 12 1 1 A 86 86 ARG CA C 147 60.723 59.744 0.979 1
1 984 . 12 1 1 A 86 86 ARG CB C 147 29.549 29.769 -0.220 1
1 987 . 12 1 1 A 86 86 ARG HA H 147 3.774 3.985 -0.211 1
1 992 . 12 1 1 A 86 86 ARG H H 147 7.971 8.286 -0.315 1
1 993 . 12 1 1 A 86 86 ARG N N 147 118.395 118.929 -0.534 1
1 995 . 12 1 1 A 87 87 GLU CA C 148 59.392 59.100 0.292 1
1 996 . 12 1 1 A 87 87 GLU CB C 148 29.740 30.006 -0.266 1
1 998 . 12 1 1 A 87 87 GLU HA H 148 4.120 4.196 -0.076 1
1 1003 . 12 1 1 A 87 87 GLU H H 148 7.895 7.795 0.100 1
1 1004 . 12 1 1 A 87 87 GLU N N 148 116.934 119.283 -2.349 1
1 1005 . 12 1 1 A 88 88 GLU CA C 149 58.455 59.227 -0.772 1
1 1006 . 12 1 1 A 88 88 GLU CB C 149 29.306 29.222 0.084 1
1 1008 . 12 1 1 A 88 88 GLU HA H 149 4.279 3.951 0.328 1
1 1013 . 12 1 1 A 88 88 GLU H H 149 8.228 8.421 -0.193 1
1 1014 . 12 1 1 A 88 88 GLU N N 149 116.458 120.388 -3.930 1
1 1015 . 12 1 1 A 89 89 LEU CA C 150 57.767 57.864 -0.097 1
1 1016 . 12 1 1 A 89 89 LEU CB C 150 42.450 40.908 1.542 1
1 1020 . 12 1 1 A 89 89 LEU HA H 150 4.239 4.061 0.178 1
1 1024 . 12 1 1 A 89 89 LEU H H 150 8.401 8.390 0.011 1
1 1025 . 12 1 1 A 89 89 LEU N N 150 117.854 120.050 -2.196 1
1 1032 . 12 1 1 A 90 90 ASP CA C 151 56.503 56.518 -0.015 1
1 1033 . 12 1 1 A 90 90 ASP CB C 151 42.435 41.436 0.999 1
1 1034 . 12 1 1 A 90 90 ASP HA H 151 5.034 4.674 0.360 1
1 1037 . 12 1 1 A 90 90 ASP H H 151 8.524 7.839 0.685 1
1 1038 . 12 1 1 A 90 90 ASP N N 151 118.978 119.346 -0.368 1
1 1039 . 12 1 1 A 91 91 LYS CA C 152 58.455 58.427 0.028 1
1 1040 . 12 1 1 A 91 91 LYS CB C 152 33.021 32.445 0.576 1
1 1044 . 12 1 1 A 91 91 LYS HA H 152 4.279 4.123 0.156 1
1 1049 . 12 1 1 A 91 91 LYS H H 152 7.348 7.601 -0.253 1
1 1050 . 12 1 1 A 91 91 LYS N N 152 114.172 117.758 -3.586 1
1 1053 . 12 1 1 A 92 92 ILE CA C 153 61.448 62.478 -1.030 1
1 1054 . 12 1 1 A 92 92 ILE CB C 153 39.068 37.626 1.442 1
1 1058 . 12 1 1 A 92 92 ILE HA H 153 4.427 3.706 0.721 1
1 1062 . 12 1 1 A 92 92 ILE H H 153 7.597 7.711 -0.114 1
1 1063 . 12 1 1 A 92 92 ILE N N 153 114.441 120.534 -6.093 1
1 1070 . 12 1 1 A 93 93 THR CA C 154 65.433 64.515 0.918 1
1 1071 . 12 1 1 A 93 93 THR CB C 154 67.799 69.272 -1.473 1
1 1073 . 12 1 1 A 93 93 THR HA H 154 3.879 4.044 -0.165 1
1 1075 . 12 1 1 A 93 93 THR H H 154 8.195 7.369 0.826 1
1 1076 . 12 1 1 A 93 93 THR N N 154 110.253 112.588 -2.335 1
1 1080 . 12 1 1 A 94 94 ASP CA C 155 57.822 57.053 0.769 1
1 1081 . 12 1 1 A 94 94 ASP CB C 155 41.397 41.327 0.070 1
1 1082 . 12 1 1 A 94 94 ASP HA H 155 4.514 4.338 0.176 1
1 1085 . 12 1 1 A 94 94 ASP H H 155 8.474 7.946 0.528 1
1 1086 . 12 1 1 A 94 94 ASP N N 155 124.348 122.270 2.078 1
1 1087 . 12 1 1 A 95 95 ARG CA C 156 57.783 58.965 -1.182 1
1 1088 . 12 1 1 A 95 95 ARG CB C 156 29.386 29.882 -0.496 1
1 1091 . 12 1 1 A 95 95 ARG HA H 156 4.173 4.100 0.073 1
1 1096 . 12 1 1 A 95 95 ARG H H 156 7.680 8.290 -0.610 1
1 1097 . 12 1 1 A 95 95 ARG N N 156 117.839 116.849 0.990 1
1 1099 . 12 1 1 A 96 96 TRP CB C 157 29.856 29.742 0.114 1
1 1105 . 12 1 1 A 96 96 TRP HA H 157 4.943 4.798 0.145 1
1 1112 . 12 1 1 A 96 96 TRP H H 157 7.880 7.720 0.160 1
1 1115 . 12 1 1 A 96 96 TRP N N 157 117.944 119.316 -1.372 1
1 1117 . 12 1 1 A 97 97 GLY CA C 158 46.688 46.893 -0.205 1
1 1118 . 12 1 1 A 97 97 GLY HA2 H 158 4.411 4.008 0.403 1
1 1119 . 12 1 1 A 97 97 GLY HA3 H 158 4.249 4.029 0.220 1
1 1120 . 12 1 1 A 97 97 GLY H H 158 7.972 7.988 -0.016 1
1 1121 . 12 1 1 A 97 97 GLY N N 158 104.253 109.535 -5.282 1
1 1122 . 12 1 1 A 98 98 VAL CA C 159 60.417 58.822 1.595 1
1 1123 . 12 1 1 A 98 98 VAL CB C 159 36.365 35.290 1.075 1
1 1126 . 12 1 1 A 98 98 VAL HA H 159 5.012 5.115 -0.103 1
1 1128 . 12 1 1 A 98 98 VAL H H 159 7.468 7.952 -0.484 1
1 1129 . 12 1 1 A 98 98 VAL N N 159 115.979 119.606 -3.627 1
1 1136 . 12 1 1 A 99 99 LYS CA C 160 53.521 54.451 -0.930 1
1 1137 . 12 1 1 A 99 99 LYS CB C 160 36.083 36.321 -0.238 1
1 1141 . 12 1 1 A 99 99 LYS HA H 160 5.053 5.121 -0.068 1
1 1148 . 12 1 1 A 99 99 LYS H H 160 9.259 9.038 0.221 1
1 1149 . 12 1 1 A 99 99 LYS N N 160 126.977 127.026 -0.049 1
1 1151 . 12 1 1 A 100 100 ILE CB C 161 35.185 37.137 -1.952 1
1 1155 . 12 1 1 A 100 100 ILE HA H 161 4.896 4.553 0.343 1
1 1159 . 12 1 1 A 100 100 ILE H H 161 9.310 8.989 0.321 1
1 1160 . 12 1 1 A 100 100 ILE N N 161 127.468 126.884 0.584 1
1 1167 . 12 1 1 A 101 101 THR CA C 162 63.075 65.879 -2.804 1
1 1168 . 12 1 1 A 101 101 THR CB C 162 67.345 68.637 -1.292 1
1 1170 . 12 1 1 A 101 101 THR HA H 162 4.254 4.075 0.179 1
1 1172 . 12 1 1 A 101 101 THR H H 162 8.783 7.980 0.803 1
1 1173 . 12 1 1 A 101 101 THR N N 162 120.609 120.111 0.498 1
1 1177 . 12 1 1 A 102 102 ARG CA C 163 55.929 54.946 0.983 1
1 1178 . 12 1 1 A 102 102 ARG CB C 163 32.468 32.082 0.386 1
1 1181 . 12 1 1 A 102 102 ARG HA H 163 4.606 4.636 -0.030 1
1 1188 . 12 1 1 A 102 102 ARG H H 163 7.669 7.647 0.022 1
1 1189 . 12 1 1 A 102 102 ARG N N 163 118.258 118.257 0.001 1
1 1190 . 12 1 1 A 103 103 VAL CB C 164 35.090 35.801 -0.711 1
1 1193 . 12 1 1 A 103 103 VAL HA H 164 4.886 4.673 0.213 1
1 1195 . 12 1 1 A 103 103 VAL H H 164 8.700 8.295 0.405 1
1 1196 . 12 1 1 A 103 103 VAL N N 164 122.135 119.099 3.036 1
1 1203 . 12 1 1 A 104 104 GLU CA C 165 54.469 54.359 0.110 1
1 1204 . 12 1 1 A 104 104 GLU CB C 165 33.028 33.452 -0.424 1
1 1206 . 12 1 1 A 104 104 GLU HA H 165 4.835 4.960 -0.125 1
1 1209 . 12 1 1 A 104 104 GLU H H 165 9.011 8.565 0.446 1
1 1210 . 12 1 1 A 104 104 GLU N N 165 123.789 125.245 -1.456 1
1 1212 . 12 1 1 A 105 105 ILE CA C 166 61.576 60.053 1.523 1
1 1213 . 12 1 1 A 105 105 ILE CB C 166 37.908 40.304 -2.396 1
1 1217 . 12 1 1 A 105 105 ILE HA H 166 4.525 4.649 -0.124 1
1 1219 . 12 1 1 A 105 105 ILE H H 166 9.869 8.815 1.054 1
1 1220 . 12 1 1 A 105 105 ILE N N 166 130.058 124.055 6.003 1
1 1229 . 12 1 1 A 106 106 GLN CA C 167 55.964 54.248 1.716 1
1 1230 . 12 1 1 A 106 106 GLN CB C 167 28.789 30.541 -1.752 1
1 1232 . 12 1 1 A 106 106 GLN HA H 167 4.661 4.630 0.031 1
1 1239 . 12 1 1 A 106 106 GLN H H 167 8.573 8.611 -0.038 1
1 1240 . 12 1 1 A 106 106 GLN N N 167 127.576 125.051 2.525 1
1 1242 . 12 1 1 A 107 107 ARG CA C 168 56.113 57.396 -1.283 1
1 1243 . 12 1 1 A 107 107 ARG CB C 168 32.098 31.019 1.079 1
1 1246 . 12 1 1 A 107 107 ARG HA H 168 4.468 4.296 0.172 1
1 1251 . 12 1 1 A 107 107 ARG H H 168 8.762 8.381 0.381 1
1 1252 . 12 1 1 A 107 107 ARG N N 168 122.725 121.420 1.305 1
1 1254 . 12 1 1 A 108 108 ILE CA C 169 61.618 59.685 1.933 1
1 1255 . 12 1 1 A 108 108 ILE CB C 169 39.583 41.165 -1.582 1
1 1259 . 12 1 1 A 108 108 ILE HA H 169 4.451 4.963 -0.512 1
1 1263 . 12 1 1 A 108 108 ILE H H 169 7.996 8.351 -0.355 1
1 1264 . 12 1 1 A 108 108 ILE N N 169 120.383 122.171 -1.788 1
1 1271 . 12 1 1 A 109 109 ASP CA C 170 51.571 50.564 1.007 1
1 1272 . 12 1 1 A 109 109 ASP CB C 170 42.763 44.265 -1.502 1
1 1273 . 12 1 1 A 109 109 ASP HA H 170 5.579 5.155 0.424 1
1 1276 . 12 1 1 A 109 109 ASP H H 170 9.067 8.235 0.832 1
1 1277 . 12 1 1 A 109 109 ASP N N 170 126.604 125.526 1.078 1
1 1278 . 12 1 1 A 110 110 PRO CA C 171 61.302 61.514 -0.212 1
1 1279 . 12 1 1 A 110 110 PRO CB C 171 30.857 31.679 -0.822 1
1 1282 . 12 1 1 A 110 110 PRO HA H 171 5.081 4.736 0.345 1
1 1288 . 12 1 1 A 111 111 PRO CA C 172 63.367 62.676 0.691 1
1 1289 . 12 1 1 A 111 111 PRO CB C 172 32.050 31.963 0.087 1
1 1292 . 12 1 1 A 111 111 PRO HA H 172 4.568 4.855 -0.287 1
1 1298 . 12 1 1 A 112 112 LYS CA C 173 55.951 56.150 -0.199 1
1 1299 . 12 1 1 A 112 112 LYS CB C 173 33.412 33.006 0.406 1
1 1303 . 12 1 1 A 112 112 LYS HA H 173 4.465 4.286 0.179 1
1 1306 . 12 1 1 A 112 112 LYS H H 173 8.533 8.269 0.264 1
1 1307 . 12 1 1 A 112 112 LYS N N 173 122.499 118.926 3.573 1
1 1 . 13 1 1 A 2 2 SER HA H 63 4.660 5.371 -0.711 1
1 4 . 13 1 1 A 2 2 SER CB C 63 63.645 66.637 -2.992 1
1 5 . 13 1 1 A 3 3 ASP HA H 64 4.688 4.587 0.101 1
1 8 . 13 1 1 A 3 3 ASP H H 64 8.603 8.497 0.106 1
1 9 . 13 1 1 A 3 3 ASP CA C 64 54.354 53.074 1.280 1
1 10 . 13 1 1 A 3 3 ASP CB C 64 40.980 41.538 -0.558 1
1 11 . 13 1 1 A 3 3 ASP N N 64 122.069 121.585 0.484 1
1 12 . 13 1 1 A 4 4 HIS HA H 65 4.735 4.710 0.025 1
1 17 . 13 1 1 A 4 4 HIS H H 65 8.354 8.512 -0.158 1
1 18 . 13 1 1 A 4 4 HIS CA C 65 56.220 56.607 -0.387 1
1 19 . 13 1 1 A 4 4 HIS CB C 65 30.570 30.093 0.477 1
1 22 . 13 1 1 A 4 4 HIS N N 65 119.219 119.821 -0.602 1
1 29 . 13 1 1 A 5 5 VAL HA H 66 4.183 4.779 -0.596 1
1 31 . 13 1 1 A 5 5 VAL H H 66 8.073 8.884 -0.811 1
1 32 . 13 1 1 A 5 5 VAL CA C 66 62.127 60.484 1.643 1
1 33 . 13 1 1 A 5 5 VAL CB C 66 32.960 33.339 -0.379 1
1 36 . 13 1 1 A 5 5 VAL N N 66 121.775 120.143 1.632 1
1 37 . 13 1 1 A 6 6 ASP CA C 67 53.727 52.667 1.060 1
1 38 . 13 1 1 A 6 6 ASP CB C 67 41.472 43.382 -1.910 1
1 39 . 13 1 1 A 6 6 ASP HA H 67 4.771 4.950 -0.179 1
1 42 . 13 1 1 A 6 6 ASP H H 67 8.615 8.837 -0.222 1
1 43 . 13 1 1 A 6 6 ASP N N 67 124.725 123.880 0.845 1
1 44 . 13 1 1 A 7 7 LEU CA C 68 54.586 54.277 0.309 1
1 45 . 13 1 1 A 7 7 LEU CB C 68 41.657 40.666 0.991 1
1 49 . 13 1 1 A 7 7 LEU HA H 68 4.556 4.484 0.072 1
1 53 . 13 1 1 A 7 7 LEU H H 68 8.441 8.623 -0.182 1
1 54 . 13 1 1 A 7 7 LEU N N 68 123.747 122.396 1.351 1
1 61 . 13 1 1 A 8 8 ARG CA C 69 56.247 56.189 0.058 1
1 62 . 13 1 1 A 8 8 ARG CB C 69 30.828 30.216 0.612 1
1 65 . 13 1 1 A 8 8 ARG HA H 69 4.253 4.177 0.076 1
1 70 . 13 1 1 A 8 8 ARG H H 69 8.209 7.344 0.865 1
1 71 . 13 1 1 A 8 8 ARG N N 69 121.063 119.294 1.769 1
1 73 . 13 1 1 A 9 9 GLU CA C 70 55.691 54.976 0.715 1
1 74 . 13 1 1 A 9 9 GLU CB C 70 31.777 31.670 0.107 1
1 76 . 13 1 1 A 9 9 GLU HA H 70 4.655 4.769 -0.114 1
1 79 . 13 1 1 A 9 9 GLU H H 70 8.338 8.536 -0.198 1
1 80 . 13 1 1 A 9 9 GLU N N 70 121.677 123.505 -1.828 1
1 82 . 13 1 1 A 10 10 HIS CA C 71 54.619 53.765 0.854 1
1 83 . 13 1 1 A 10 10 HIS CB C 71 32.189 32.617 -0.428 1
1 86 . 13 1 1 A 10 10 HIS HA H 71 4.716 5.007 -0.291 1
1 91 . 13 1 1 A 10 10 HIS H H 71 9.043 8.671 0.372 1
1 92 . 13 1 1 A 10 10 HIS N N 71 125.575 120.198 5.377 1
1 93 . 13 1 1 A 11 11 VAL CA C 72 60.567 60.657 -0.090 1
1 94 . 13 1 1 A 11 11 VAL CB C 72 35.380 33.203 2.177 1
1 97 . 13 1 1 A 11 11 VAL HA H 72 4.951 4.698 0.253 1
1 99 . 13 1 1 A 11 11 VAL H H 72 8.218 8.665 -0.447 1
1 100 . 13 1 1 A 11 11 VAL N N 72 117.348 117.441 -0.093 1
1 107 . 13 1 1 A 12 12 ILE CA C 73 59.857 59.953 -0.096 1
1 108 . 13 1 1 A 12 12 ILE CB C 73 41.969 39.252 2.717 1
1 112 . 13 1 1 A 12 12 ILE HA H 73 4.464 4.838 -0.374 1
1 116 . 13 1 1 A 12 12 ILE H H 73 9.272 9.282 -0.010 1
1 117 . 13 1 1 A 12 12 ILE N N 73 126.908 126.059 0.849 1
1 124 . 13 1 1 A 13 13 ASP CB C 74 41.534 41.194 0.340 1
1 125 . 13 1 1 A 13 13 ASP HA H 74 4.885 4.934 -0.049 1
1 128 . 13 1 1 A 13 13 ASP H H 74 8.501 8.816 -0.315 1
1 129 . 13 1 1 A 13 13 ASP N N 74 126.253 128.280 -2.027 1
1 130 . 13 1 1 A 14 14 VAL CA C 75 59.550 58.474 1.076 1
1 131 . 13 1 1 A 14 14 VAL CB C 75 32.270 34.601 -2.331 1
1 134 . 13 1 1 A 14 14 VAL HA H 75 4.491 4.486 0.005 1
1 136 . 13 1 1 A 14 14 VAL H H 75 8.758 8.457 0.301 1
1 137 . 13 1 1 A 14 14 VAL N N 75 124.997 124.847 0.150 1
1 144 . 13 1 1 A 15 15 PRO CB C 76 30.981 31.749 -0.768 1
1 147 . 13 1 1 A 15 15 PRO HA H 76 4.837 4.659 0.178 1
1 153 . 13 1 1 A 16 16 PRO CB C 77 32.267 33.083 -0.816 1
1 156 . 13 1 1 A 16 16 PRO HA H 77 4.881 4.966 -0.085 1
1 162 . 13 1 1 A 17 17 GLN CA C 78 53.332 54.290 -0.958 1
1 163 . 13 1 1 A 17 17 GLN CB C 78 33.352 32.349 1.003 1
1 165 . 13 1 1 A 17 17 GLN HA H 78 4.768 4.978 -0.210 1
1 170 . 13 1 1 A 17 17 GLN H H 78 8.612 8.194 0.418 1
1 171 . 13 1 1 A 17 17 GLN N N 78 119.550 116.113 3.437 1
1 175 . 13 1 1 A 18 18 GLU CA C 79 55.955 55.935 0.020 1
1 176 . 13 1 1 A 18 18 GLU CB C 79 30.087 30.688 -0.601 1
1 178 . 13 1 1 A 18 18 GLU HA H 79 5.070 5.044 0.026 1
1 183 . 13 1 1 A 18 18 GLU H H 79 8.626 8.688 -0.062 1
1 184 . 13 1 1 A 18 18 GLU N N 79 123.226 123.296 -0.070 1
1 185 . 13 1 1 A 19 19 VAL CA C 80 60.191 59.428 0.763 1
1 186 . 13 1 1 A 19 19 VAL CB C 80 34.901 35.866 -0.965 1
1 189 . 13 1 1 A 19 19 VAL HA H 80 4.562 4.760 -0.198 1
1 191 . 13 1 1 A 19 19 VAL H H 80 9.568 8.419 1.149 1
1 192 . 13 1 1 A 19 19 VAL N N 80 123.365 117.818 5.547 1
1 199 . 13 1 1 A 20 20 ILE CA C 81 60.810 61.566 -0.756 1
1 200 . 13 1 1 A 20 20 ILE CB C 81 39.198 37.406 1.792 1
1 204 . 13 1 1 A 20 20 ILE HA H 81 4.678 4.137 0.541 1
1 208 . 13 1 1 A 20 20 ILE H H 81 8.048 8.755 -0.707 1
1 209 . 13 1 1 A 20 20 ILE N N 81 122.564 124.952 -2.388 1
1 216 . 13 1 1 A 21 21 CYS CB C 82 29.386 28.969 0.417 1
1 217 . 13 1 1 A 21 21 CYS HA H 82 4.932 4.722 0.210 1
1 220 . 13 1 1 A 21 21 CYS H H 82 8.796 8.797 -0.001 1
1 221 . 13 1 1 A 21 21 CYS N N 82 125.960 126.532 -0.572 1
1 222 . 13 1 1 A 22 22 LYS CA C 83 59.330 58.949 0.381 1
1 223 . 13 1 1 A 22 22 LYS CB C 83 33.478 32.320 1.158 1
1 227 . 13 1 1 A 22 22 LYS HA H 83 4.096 4.017 0.079 1
1 234 . 13 1 1 A 22 22 LYS H H 83 8.735 8.531 0.204 1
1 235 . 13 1 1 A 22 22 LYS N N 83 123.785 125.208 -1.423 1
1 237 . 13 1 1 A 23 23 ASP CA C 84 53.011 53.187 -0.176 1
1 238 . 13 1 1 A 23 23 ASP CB C 84 38.642 40.653 -2.011 1
1 239 . 13 1 1 A 23 23 ASP HA H 84 4.694 4.779 -0.085 1
1 242 . 13 1 1 A 23 23 ASP H H 84 8.667 7.737 0.930 1
1 243 . 13 1 1 A 23 23 ASP N N 84 112.676 117.758 -5.082 1
1 244 . 13 1 1 A 24 24 ASN CA C 85 54.989 54.511 0.478 1
1 245 . 13 1 1 A 24 24 ASN CB C 85 36.698 36.642 0.056 1
1 246 . 13 1 1 A 24 24 ASN HA H 85 4.321 4.278 0.043 1
1 251 . 13 1 1 A 24 24 ASN H H 85 8.264 7.724 0.540 1
1 252 . 13 1 1 A 24 24 ASN N N 85 112.321 114.564 -2.243 1
1 254 . 13 1 1 A 25 25 VAL CA C 86 61.920 61.330 0.590 1
1 255 . 13 1 1 A 25 25 VAL CB C 86 33.581 33.084 0.497 1
1 258 . 13 1 1 A 25 25 VAL HA H 86 4.247 4.395 -0.148 1
1 260 . 13 1 1 A 25 25 VAL H H 86 6.817 7.636 -0.819 1
1 261 . 13 1 1 A 25 25 VAL N N 86 117.663 118.530 -0.867 1
1 268 . 13 1 1 A 26 26 VAL CA C 87 62.127 61.951 0.176 1
1 269 . 13 1 1 A 26 26 VAL CB C 87 32.468 32.043 0.425 1
1 272 . 13 1 1 A 26 26 VAL HA H 87 4.710 4.461 0.249 1
1 274 . 13 1 1 A 26 26 VAL H H 87 8.467 8.714 -0.247 1
1 275 . 13 1 1 A 26 26 VAL N N 87 128.149 129.369 -1.220 1
1 282 . 13 1 1 A 27 27 VAL CA C 88 58.409 58.976 -0.567 1
1 283 . 13 1 1 A 27 27 VAL CB C 88 34.991 36.112 -1.121 1
1 286 . 13 1 1 A 27 27 VAL HA H 88 4.995 5.109 -0.114 1
1 288 . 13 1 1 A 27 27 VAL H H 88 8.983 8.400 0.583 1
1 289 . 13 1 1 A 27 27 VAL N N 88 119.421 122.328 -2.907 1
1 296 . 13 1 1 A 28 28 THR CA C 89 62.180 61.977 0.203 1
1 297 . 13 1 1 A 28 28 THR CB C 89 69.351 69.847 -0.496 1
1 299 . 13 1 1 A 28 28 THR HA H 89 5.249 4.937 0.312 1
1 301 . 13 1 1 A 28 28 THR H H 89 8.544 8.195 0.349 1
1 302 . 13 1 1 A 28 28 THR N N 89 118.810 117.724 1.086 1
1 306 . 13 1 1 A 29 29 VAL CA C 90 58.826 59.993 -1.167 1
1 307 . 13 1 1 A 29 29 VAL CB C 90 36.035 35.173 0.862 1
1 310 . 13 1 1 A 29 29 VAL HA H 90 5.527 4.941 0.586 1
1 312 . 13 1 1 A 29 29 VAL H H 90 8.818 8.819 -0.001 1
1 313 . 13 1 1 A 29 29 VAL N N 90 123.670 127.834 -4.164 1
1 320 . 13 1 1 A 30 30 ASP CA C 91 52.821 53.204 -0.383 1
1 321 . 13 1 1 A 30 30 ASP CB C 91 42.960 44.431 -1.471 1
1 322 . 13 1 1 A 30 30 ASP HA H 91 4.785 5.306 -0.521 1
1 325 . 13 1 1 A 30 30 ASP H H 91 8.478 8.880 -0.402 1
1 326 . 13 1 1 A 30 30 ASP N N 91 125.411 124.212 1.199 1
1 327 . 13 1 1 A 31 31 ALA CA C 92 51.718 51.165 0.553 1
1 328 . 13 1 1 A 31 31 ALA CB C 92 22.216 23.510 -1.294 1
1 329 . 13 1 1 A 31 31 ALA HA H 92 5.268 4.941 0.327 1
1 330 . 13 1 1 A 31 31 ALA H H 92 8.075 8.420 -0.345 1
1 331 . 13 1 1 A 31 31 ALA N N 92 116.806 121.283 -4.477 1
1 335 . 13 1 1 A 32 32 VAL CB C 93 34.772 34.165 0.607 1
1 338 . 13 1 1 A 32 32 VAL HA H 93 4.901 5.029 -0.128 1
1 340 . 13 1 1 A 32 32 VAL H H 93 8.306 8.687 -0.381 1
1 341 . 13 1 1 A 32 32 VAL N N 93 117.482 114.414 3.068 1
1 348 . 13 1 1 A 33 33 VAL CA C 94 61.058 60.985 0.073 1
1 349 . 13 1 1 A 33 33 VAL CB C 94 34.773 35.595 -0.822 1
1 352 . 13 1 1 A 33 33 VAL HA H 94 4.515 4.935 -0.420 1
1 354 . 13 1 1 A 33 33 VAL H H 94 8.873 8.174 0.699 1
1 355 . 13 1 1 A 33 33 VAL N N 94 124.653 121.684 2.969 1
1 362 . 13 1 1 A 34 34 TYR CA C 95 56.333 57.511 -1.178 1
1 363 . 13 1 1 A 34 34 TYR CB C 95 40.336 41.217 -0.881 1
1 366 . 13 1 1 A 34 34 TYR HA H 95 5.834 5.481 0.353 1
1 371 . 13 1 1 A 34 34 TYR H H 95 8.989 8.764 0.225 1
1 372 . 13 1 1 A 34 34 TYR N N 95 126.081 127.456 -1.375 1
1 375 . 13 1 1 A 35 35 TYR CA C 96 55.679 56.515 -0.836 1
1 376 . 13 1 1 A 35 35 TYR CB C 96 42.824 40.838 1.986 1
1 379 . 13 1 1 A 35 35 TYR HA H 96 6.097 5.464 0.633 1
1 384 . 13 1 1 A 35 35 TYR H H 96 9.102 8.380 0.722 1
1 385 . 13 1 1 A 35 35 TYR N N 96 117.188 118.890 -1.702 1
1 388 . 13 1 1 A 36 36 GLN CB C 97 33.643 31.493 2.150 1
1 390 . 13 1 1 A 36 36 GLN HA H 97 4.942 4.772 0.170 1
1 395 . 13 1 1 A 36 36 GLN H H 97 9.441 8.399 1.042 1
1 396 . 13 1 1 A 36 36 GLN N N 97 118.000 119.214 -1.214 1
1 399 . 13 1 1 A 37 37 VAL CA C 98 63.621 63.376 0.245 1
1 400 . 13 1 1 A 37 37 VAL CB C 98 31.380 30.533 0.847 1
1 403 . 13 1 1 A 37 37 VAL HA H 98 4.286 4.063 0.223 1
1 405 . 13 1 1 A 37 37 VAL H H 98 9.692 8.940 0.752 1
1 406 . 13 1 1 A 37 37 VAL N N 98 126.436 124.244 2.192 1
1 413 . 13 1 1 A 38 38 ILE CA C 99 61.011 62.015 -1.004 1
1 414 . 13 1 1 A 38 38 ILE CB C 99 38.943 38.727 0.216 1
1 418 . 13 1 1 A 38 38 ILE HA H 99 4.514 4.295 0.219 1
1 422 . 13 1 1 A 38 38 ILE H H 99 8.540 8.407 0.133 1
1 423 . 13 1 1 A 38 38 ILE N N 99 123.480 123.818 -0.338 1
1 430 . 13 1 1 A 39 39 ASP CA C 100 50.850 51.096 -0.246 1
1 431 . 13 1 1 A 39 39 ASP CB C 100 41.979 41.612 0.367 1
1 432 . 13 1 1 A 39 39 ASP HA H 100 5.326 4.998 0.328 1
1 435 . 13 1 1 A 39 39 ASP H H 100 8.135 7.833 0.302 1
1 436 . 13 1 1 A 39 39 ASP N N 100 119.056 122.635 -3.579 1
1 437 . 13 1 1 A 40 40 PRO CA C 101 64.279 64.935 -0.656 1
1 438 . 13 1 1 A 40 40 PRO CB C 101 32.510 32.030 0.480 1
1 441 . 13 1 1 A 40 40 PRO HA H 101 4.299 4.249 0.050 1
1 448 . 13 1 1 A 41 41 VAL CA C 102 65.120 65.564 -0.444 1
1 449 . 13 1 1 A 41 41 VAL CB C 102 31.406 31.534 -0.128 1
1 452 . 13 1 1 A 41 41 VAL HA H 102 3.886 3.882 0.004 1
1 454 . 13 1 1 A 41 41 VAL H H 102 7.936 8.484 -0.548 1
1 455 . 13 1 1 A 41 41 VAL N N 102 118.168 115.989 2.179 1
1 462 . 13 1 1 A 42 42 LYS CA C 103 57.852 58.632 -0.780 1
1 463 . 13 1 1 A 42 42 LYS CB C 103 33.597 33.394 0.203 1
1 467 . 13 1 1 A 42 42 LYS HA H 103 4.242 4.336 -0.094 1
1 472 . 13 1 1 A 42 42 LYS H H 103 7.240 7.513 -0.273 1
1 473 . 13 1 1 A 42 42 LYS N N 103 118.280 120.754 -2.474 1
1 476 . 13 1 1 A 43 43 ALA CA C 104 53.615 52.120 1.495 1
1 477 . 13 1 1 A 43 43 ALA CB C 104 18.578 18.513 0.065 1
1 478 . 13 1 1 A 43 43 ALA HA H 104 4.632 4.244 0.388 1
1 479 . 13 1 1 A 43 43 ALA H H 104 7.702 7.408 0.294 1
1 480 . 13 1 1 A 43 43 ALA N N 104 122.122 120.078 2.044 1
1 484 . 13 1 1 A 44 44 VAL CA C 105 62.530 61.453 1.077 1
1 485 . 13 1 1 A 44 44 VAL CB C 105 31.680 30.394 1.286 1
1 488 . 13 1 1 A 44 44 VAL HA H 105 4.197 4.096 0.101 1
1 490 . 13 1 1 A 44 44 VAL H H 105 7.682 7.447 0.235 1
1 491 . 13 1 1 A 44 44 VAL N N 105 115.037 118.829 -3.792 1
1 498 . 13 1 1 A 45 45 TYR CA C 106 57.222 56.692 0.530 1
1 499 . 13 1 1 A 45 45 TYR CB C 106 38.651 37.804 0.847 1
1 502 . 13 1 1 A 45 45 TYR HA H 106 4.652 4.856 -0.204 1
1 505 . 13 1 1 A 45 45 TYR H H 106 7.436 7.465 -0.029 1
1 506 . 13 1 1 A 45 45 TYR N N 106 118.804 121.308 -2.504 1
1 510 . 13 1 1 A 46 46 ASN CB C 107 39.028 37.001 2.027 1
1 511 . 13 1 1 A 46 46 ASN HA H 107 4.959 4.405 0.554 1
1 516 . 13 1 1 A 46 46 ASN H H 107 8.614 8.125 0.489 1
1 517 . 13 1 1 A 46 46 ASN N N 107 118.495 113.286 5.209 1
1 519 . 13 1 1 A 47 47 VAL CA C 108 65.178 63.377 1.801 1
1 520 . 13 1 1 A 47 47 VAL CB C 108 32.022 29.948 2.074 1
1 523 . 13 1 1 A 47 47 VAL HA H 108 3.952 3.614 0.338 1
1 525 . 13 1 1 A 47 47 VAL H H 108 8.342 7.940 0.402 1
1 526 . 13 1 1 A 47 47 VAL N N 108 123.377 110.588 12.789 1
1 533 . 13 1 1 A 48 48 SER CA C 109 61.473 61.724 -0.251 1
1 534 . 13 1 1 A 48 48 SER CB C 109 62.248 63.943 -1.695 1
1 535 . 13 1 1 A 48 48 SER HA H 109 4.298 4.380 -0.082 1
1 536 . 13 1 1 A 48 48 SER H H 109 8.353 7.950 0.403 1
1 537 . 13 1 1 A 48 48 SER N N 109 116.439 116.160 0.279 1
1 539 . 13 1 1 A 49 49 ASP CA C 110 56.211 57.112 -0.901 1
1 540 . 13 1 1 A 49 49 ASP CB C 110 40.691 39.864 0.827 1
1 541 . 13 1 1 A 49 49 ASP HA H 110 4.534 4.160 0.374 1
1 542 . 13 1 1 A 49 49 ASP H H 110 7.832 8.281 -0.449 1
1 543 . 13 1 1 A 49 49 ASP N N 110 121.141 121.945 -0.804 1
1 545 . 13 1 1 A 50 50 PHE CA C 111 60.009 61.230 -1.221 1
1 546 . 13 1 1 A 50 50 PHE CB C 111 38.598 39.192 -0.594 1
1 550 . 13 1 1 A 50 50 PHE HA H 111 3.486 3.999 -0.513 1
1 555 . 13 1 1 A 50 50 PHE H H 111 8.044 8.071 -0.027 1
1 557 . 13 1 1 A 50 50 PHE N N 111 122.621 120.829 1.792 1
1 560 . 13 1 1 A 51 51 LEU CA C 112 58.009 58.078 -0.069 1
1 561 . 13 1 1 A 51 51 LEU CB C 112 41.213 41.897 -0.684 1
1 565 . 13 1 1 A 51 51 LEU HA H 112 3.546 3.496 0.050 1
1 569 . 13 1 1 A 51 51 LEU H H 112 8.046 8.539 -0.493 1
1 570 . 13 1 1 A 51 51 LEU N N 112 119.691 120.091 -0.400 1
1 577 . 13 1 1 A 52 52 MET CA C 113 57.696 57.678 0.018 1
1 578 . 13 1 1 A 52 52 MET CB C 113 32.289 31.991 0.298 1
1 581 . 13 1 1 A 52 52 MET HA H 113 4.231 4.137 0.094 1
1 586 . 13 1 1 A 52 52 MET H H 113 7.563 8.389 -0.826 1
1 587 . 13 1 1 A 52 52 MET N N 113 115.770 116.710 -0.940 1
1 591 . 13 1 1 A 53 53 ALA CA C 114 54.815 54.102 0.713 1
1 592 . 13 1 1 A 53 53 ALA CB C 114 18.369 18.898 -0.529 1
1 593 . 13 1 1 A 53 53 ALA HA H 114 4.199 4.223 -0.024 1
1 594 . 13 1 1 A 53 53 ALA H H 114 7.878 7.717 0.161 1
1 595 . 13 1 1 A 53 53 ALA N N 114 121.804 122.583 -0.779 1
1 599 . 13 1 1 A 54 54 ILE CA C 115 63.259 64.551 -1.292 1
1 600 . 13 1 1 A 54 54 ILE CB C 115 36.127 37.534 -1.407 1
1 604 . 13 1 1 A 54 54 ILE HA H 115 3.767 3.638 0.129 1
1 608 . 13 1 1 A 54 54 ILE H H 115 8.202 7.976 0.226 1
1 609 . 13 1 1 A 54 54 ILE N N 115 118.054 119.364 -1.310 1
1 616 . 13 1 1 A 55 55 VAL CA C 116 68.036 65.369 2.667 1
1 617 . 13 1 1 A 55 55 VAL CB C 116 31.463 31.453 0.010 1
1 620 . 13 1 1 A 55 55 VAL HA H 116 3.509 3.803 -0.294 1
1 622 . 13 1 1 A 55 55 VAL H H 116 7.961 7.551 0.410 1
1 623 . 13 1 1 A 55 55 VAL N N 116 121.095 116.481 4.614 1
1 630 . 13 1 1 A 56 56 LYS CA C 117 59.077 58.214 0.863 1
1 631 . 13 1 1 A 56 56 LYS CB C 117 31.997 33.103 -1.106 1
1 635 . 13 1 1 A 56 56 LYS HA H 117 4.297 4.244 0.053 1
1 638 . 13 1 1 A 56 56 LYS H H 117 8.000 7.930 0.070 1
1 639 . 13 1 1 A 56 56 LYS N N 117 118.806 121.488 -2.682 1
1 643 . 13 1 1 A 57 57 LEU CA C 118 57.515 57.876 -0.361 1
1 644 . 13 1 1 A 57 57 LEU CB C 118 42.727 41.374 1.353 1
1 648 . 13 1 1 A 57 57 LEU HA H 118 4.286 3.983 0.303 1
1 652 . 13 1 1 A 57 57 LEU H H 118 8.390 8.451 -0.061 1
1 653 . 13 1 1 A 57 57 LEU N N 118 120.738 120.246 0.492 1
1 660 . 13 1 1 A 58 58 ALA CA C 119 55.695 55.164 0.531 1
1 661 . 13 1 1 A 58 58 ALA CB C 119 17.984 18.302 -0.318 1
1 662 . 13 1 1 A 58 58 ALA HA H 119 4.131 4.048 0.083 1
1 663 . 13 1 1 A 58 58 ALA H H 119 9.213 8.490 0.723 1
1 664 . 13 1 1 A 58 58 ALA N N 119 123.641 121.817 1.824 1
1 668 . 13 1 1 A 59 59 GLN CA C 120 60.234 58.864 1.370 1
1 669 . 13 1 1 A 59 59 GLN CB C 120 28.353 28.378 -0.025 1
1 671 . 13 1 1 A 59 59 GLN HA H 120 3.972 4.040 -0.068 1
1 678 . 13 1 1 A 59 59 GLN H H 120 8.649 8.122 0.527 1
1 679 . 13 1 1 A 59 59 GLN N N 120 116.453 118.205 -1.752 1
1 681 . 13 1 1 A 60 60 THR CA C 121 66.360 66.151 0.209 1
1 682 . 13 1 1 A 60 60 THR CB C 121 68.868 69.199 -0.331 1
1 684 . 13 1 1 A 60 60 THR HA H 121 4.076 4.102 -0.026 1
1 686 . 13 1 1 A 60 60 THR H H 121 8.566 7.263 1.303 1
1 687 . 13 1 1 A 60 60 THR N N 121 115.479 115.633 -0.154 1
1 691 . 13 1 1 A 61 61 ASN CA C 122 57.397 56.044 1.353 1
1 692 . 13 1 1 A 61 61 ASN CB C 122 39.535 38.446 1.089 1
1 693 . 13 1 1 A 61 61 ASN HA H 122 4.626 4.409 0.217 1
1 698 . 13 1 1 A 61 61 ASN H H 122 8.433 8.210 0.223 1
1 699 . 13 1 1 A 61 61 ASN N N 122 120.652 118.958 1.694 1
1 701 . 13 1 1 A 62 62 LEU CA C 123 58.804 58.326 0.478 1
1 702 . 13 1 1 A 62 62 LEU CB C 123 42.331 41.734 0.597 1
1 706 . 13 1 1 A 62 62 LEU HA H 123 4.068 4.007 0.061 1
1 710 . 13 1 1 A 62 62 LEU H H 123 8.837 8.450 0.387 1
1 711 . 13 1 1 A 62 62 LEU N N 123 121.425 117.426 3.999 1
1 718 . 13 1 1 A 63 63 ARG CA C 124 59.647 59.579 0.068 1
1 719 . 13 1 1 A 63 63 ARG CB C 124 30.112 30.148 -0.036 1
1 722 . 13 1 1 A 63 63 ARG HA H 124 4.030 3.919 0.111 1
1 727 . 13 1 1 A 63 63 ARG H H 124 7.502 8.156 -0.654 1
1 728 . 13 1 1 A 63 63 ARG N N 124 116.156 119.530 -3.374 1
1 730 . 13 1 1 A 64 64 ALA CA C 125 54.793 55.087 -0.294 1
1 731 . 13 1 1 A 64 64 ALA CB C 125 18.471 18.538 -0.067 1
1 732 . 13 1 1 A 64 64 ALA HA H 125 4.260 4.027 0.233 1
1 733 . 13 1 1 A 64 64 ALA H H 125 7.637 7.976 -0.339 1
1 734 . 13 1 1 A 64 64 ALA N N 125 121.808 121.679 0.129 1
1 738 . 13 1 1 A 65 65 ILE CA C 126 64.917 64.772 0.145 1
1 739 . 13 1 1 A 65 65 ILE CB C 126 39.599 37.815 1.784 1
1 743 . 13 1 1 A 65 65 ILE HA H 126 3.745 3.743 0.002 1
1 747 . 13 1 1 A 65 65 ILE H H 126 8.476 7.254 1.222 1
1 748 . 13 1 1 A 65 65 ILE N N 126 117.948 118.170 -0.222 1
1 755 . 13 1 1 A 66 66 ILE CA C 127 64.704 64.814 -0.110 1
1 756 . 13 1 1 A 66 66 ILE CB C 127 37.188 37.563 -0.375 1
1 760 . 13 1 1 A 66 66 ILE HA H 127 3.826 3.755 0.071 1
1 764 . 13 1 1 A 66 66 ILE H H 127 8.130 8.668 -0.538 1
1 765 . 13 1 1 A 66 66 ILE N N 127 118.919 119.441 -0.522 1
1 772 . 13 1 1 A 67 67 GLY CA C 128 46.401 46.980 -0.579 1
1 773 . 13 1 1 A 67 67 GLY HA2 H 128 4.437 3.961 0.476 1
1 774 . 13 1 1 A 67 67 GLY HA3 H 128 3.925 3.962 -0.037 1
1 775 . 13 1 1 A 67 67 GLY H H 128 7.683 7.588 0.095 1
1 776 . 13 1 1 A 67 67 GLY N N 128 104.485 109.306 -4.821 1
1 777 . 13 1 1 A 68 68 GLU CA C 129 55.446 55.318 0.128 1
1 778 . 13 1 1 A 68 68 GLU CB C 129 30.672 31.234 -0.562 1
1 780 . 13 1 1 A 68 68 GLU HA H 129 4.589 4.856 -0.267 1
1 785 . 13 1 1 A 68 68 GLU H H 129 7.111 8.038 -0.927 1
1 786 . 13 1 1 A 68 68 GLU N N 129 115.084 116.289 -1.205 1
1 787 . 13 1 1 A 69 69 MET CA C 130 55.238 54.648 0.590 1
1 788 . 13 1 1 A 69 69 MET CB C 130 36.559 36.611 -0.052 1
1 791 . 13 1 1 A 69 69 MET HA H 130 4.763 4.848 -0.085 1
1 796 . 13 1 1 A 69 69 MET H H 130 8.414 8.594 -0.180 1
1 797 . 13 1 1 A 69 69 MET N N 130 121.732 121.632 0.100 1
1 801 . 13 1 1 A 70 70 GLU CA C 131 56.474 54.896 1.578 1
1 802 . 13 1 1 A 70 70 GLU CB C 131 30.686 32.127 -1.441 1
1 804 . 13 1 1 A 70 70 GLU HA H 131 4.354 4.945 -0.591 1
1 809 . 13 1 1 A 70 70 GLU H H 131 9.395 8.658 0.737 1
1 810 . 13 1 1 A 70 70 GLU N N 131 122.754 119.832 2.922 1
1 811 . 13 1 1 A 71 71 LEU CA C 132 59.955 58.514 1.441 1
1 812 . 13 1 1 A 71 71 LEU CB C 132 40.900 41.998 -1.098 1
1 816 . 13 1 1 A 71 71 LEU HA H 132 4.454 3.950 0.504 1
1 820 . 13 1 1 A 71 71 LEU H H 132 10.320 8.863 1.457 1
1 821 . 13 1 1 A 71 71 LEU N N 132 127.791 128.776 -0.985 1
1 828 . 13 1 1 A 72 72 ASP CA C 133 57.961 57.226 0.735 1
1 829 . 13 1 1 A 72 72 ASP CB C 133 40.031 41.319 -1.288 1
1 830 . 13 1 1 A 72 72 ASP HA H 133 4.452 4.349 0.103 1
1 831 . 13 1 1 A 72 72 ASP H H 133 9.283 8.105 1.178 1
1 832 . 13 1 1 A 72 72 ASP N N 133 117.573 118.625 -1.052 1
1 834 . 13 1 1 A 73 73 GLU CA C 134 58.070 59.394 -1.324 1
1 835 . 13 1 1 A 73 73 GLU CB C 134 30.329 29.478 0.851 1
1 837 . 13 1 1 A 73 73 GLU HA H 134 4.166 4.005 0.161 1
1 842 . 13 1 1 A 73 73 GLU H H 134 7.307 8.097 -0.790 1
1 843 . 13 1 1 A 73 73 GLU N N 134 118.947 119.055 -0.108 1
1 844 . 13 1 1 A 74 74 THR CA C 135 67.017 65.735 1.282 1
1 845 . 13 1 1 A 74 74 THR CB C 135 68.224 68.188 0.036 1
1 847 . 13 1 1 A 74 74 THR HA H 135 3.966 4.057 -0.091 1
1 849 . 13 1 1 A 74 74 THR H H 135 8.334 8.579 -0.245 1
1 850 . 13 1 1 A 74 74 THR N N 135 116.702 114.272 2.430 1
1 854 . 13 1 1 A 75 75 LEU CA C 136 57.604 57.794 -0.190 1
1 855 . 13 1 1 A 75 75 LEU CB C 136 41.375 41.438 -0.063 1
1 859 . 13 1 1 A 75 75 LEU HA H 136 4.164 4.011 0.153 1
1 863 . 13 1 1 A 75 75 LEU H H 136 8.159 7.748 0.411 1
1 864 . 13 1 1 A 75 75 LEU N N 136 118.009 123.068 -5.059 1
1 871 . 13 1 1 A 76 76 SER CA C 137 58.446 57.205 1.241 1
1 872 . 13 1 1 A 76 76 SER CB C 137 63.709 62.809 0.900 1
1 873 . 13 1 1 A 76 76 SER HA H 137 4.808 4.538 0.270 1
1 876 . 13 1 1 A 76 76 SER H H 137 7.713 8.106 -0.393 1
1 877 . 13 1 1 A 76 76 SER N N 137 111.428 112.642 -1.214 1
1 878 . 13 1 1 A 77 77 GLY CA C 138 46.311 45.357 0.954 1
1 879 . 13 1 1 A 77 77 GLY HA2 H 138 4.815 4.107 0.708 1
1 880 . 13 1 1 A 77 77 GLY HA3 H 138 3.860 4.108 -0.248 1
1 881 . 13 1 1 A 77 77 GLY H H 138 7.779 8.155 -0.376 1
1 882 . 13 1 1 A 77 77 GLY N N 138 112.185 113.979 -1.794 1
1 883 . 13 1 1 A 78 78 ARG CA C 139 61.186 57.980 3.206 1
1 884 . 13 1 1 A 78 78 ARG CB C 139 29.871 29.697 0.174 1
1 887 . 13 1 1 A 78 78 ARG HA H 139 3.853 4.101 -0.248 1
1 892 . 13 1 1 A 78 78 ARG H H 139 8.311 7.959 0.352 1
1 893 . 13 1 1 A 78 78 ARG N N 139 121.172 121.784 -0.612 1
1 895 . 13 1 1 A 79 79 ASP CA C 140 57.533 57.076 0.457 1
1 896 . 13 1 1 A 79 79 ASP CB C 140 39.905 40.920 -1.015 1
1 897 . 13 1 1 A 79 79 ASP HA H 140 4.630 4.433 0.197 1
1 900 . 13 1 1 A 79 79 ASP H H 140 8.749 8.060 0.689 1
1 901 . 13 1 1 A 79 79 ASP N N 140 114.843 119.136 -4.293 1
1 902 . 13 1 1 A 80 80 ILE CA C 141 63.732 64.707 -0.975 1
1 903 . 13 1 1 A 80 80 ILE CB C 141 38.239 37.900 0.339 1
1 907 . 13 1 1 A 80 80 ILE HA H 141 4.070 3.691 0.379 1
1 911 . 13 1 1 A 80 80 ILE H H 141 7.565 7.836 -0.271 1
1 912 . 13 1 1 A 80 80 ILE N N 141 121.986 119.611 2.375 1
1 919 . 13 1 1 A 81 81 ILE CA C 142 66.387 65.756 0.631 1
1 920 . 13 1 1 A 81 81 ILE CB C 142 38.194 37.661 0.533 1
1 924 . 13 1 1 A 81 81 ILE HA H 142 3.531 3.646 -0.115 1
1 928 . 13 1 1 A 81 81 ILE H H 142 8.309 7.887 0.422 1
1 929 . 13 1 1 A 81 81 ILE N N 142 121.735 120.490 1.245 1
1 936 . 13 1 1 A 82 82 ASN CA C 143 56.121 55.945 0.176 1
1 937 . 13 1 1 A 82 82 ASN CB C 143 38.023 37.411 0.612 1
1 938 . 13 1 1 A 82 82 ASN HA H 143 4.369 4.369 0.000 1
1 941 . 13 1 1 A 82 82 ASN H H 143 8.919 8.645 0.274 1
1 942 . 13 1 1 A 82 82 ASN N N 143 118.128 117.876 0.252 1
1 946 . 13 1 1 A 83 83 ALA CA C 144 55.230 55.438 -0.208 1
1 947 . 13 1 1 A 83 83 ALA CB C 144 18.378 18.548 -0.170 1
1 948 . 13 1 1 A 83 83 ALA HA H 144 4.310 4.075 0.235 1
1 949 . 13 1 1 A 83 83 ALA H H 144 7.687 7.963 -0.276 1
1 950 . 13 1 1 A 83 83 ALA N N 144 122.048 121.392 0.656 1
1 954 . 13 1 1 A 84 84 ARG CA C 145 58.842 59.346 -0.504 1
1 955 . 13 1 1 A 84 84 ARG CB C 145 30.415 29.988 0.427 1
1 958 . 13 1 1 A 84 84 ARG HA H 145 4.297 3.909 0.388 1
1 963 . 13 1 1 A 84 84 ARG H H 145 8.579 8.235 0.344 1
1 964 . 13 1 1 A 84 84 ARG N N 145 119.430 117.879 1.551 1
1 966 . 13 1 1 A 85 85 LEU CA C 146 57.861 57.694 0.167 1
1 967 . 13 1 1 A 85 85 LEU CB C 146 41.584 41.637 -0.053 1
1 971 . 13 1 1 A 85 85 LEU HA H 146 4.054 3.933 0.121 1
1 975 . 13 1 1 A 85 85 LEU H H 146 9.083 7.712 1.371 1
1 976 . 13 1 1 A 85 85 LEU N N 146 119.149 120.542 -1.393 1
1 983 . 13 1 1 A 86 86 ARG CA C 147 60.723 59.625 1.098 1
1 984 . 13 1 1 A 86 86 ARG CB C 147 29.549 29.822 -0.273 1
1 987 . 13 1 1 A 86 86 ARG HA H 147 3.774 4.003 -0.229 1
1 992 . 13 1 1 A 86 86 ARG H H 147 7.971 8.179 -0.208 1
1 993 . 13 1 1 A 86 86 ARG N N 147 118.395 118.863 -0.468 1
1 995 . 13 1 1 A 87 87 GLU CA C 148 59.392 59.089 0.303 1
1 996 . 13 1 1 A 87 87 GLU CB C 148 29.740 29.367 0.373 1
1 998 . 13 1 1 A 87 87 GLU HA H 148 4.120 4.095 0.025 1
1 1003 . 13 1 1 A 87 87 GLU H H 148 7.895 8.062 -0.167 1
1 1004 . 13 1 1 A 87 87 GLU N N 148 116.934 118.823 -1.889 1
1 1005 . 13 1 1 A 88 88 GLU CA C 149 58.455 59.008 -0.553 1
1 1006 . 13 1 1 A 88 88 GLU CB C 149 29.306 29.374 -0.068 1
1 1008 . 13 1 1 A 88 88 GLU HA H 149 4.279 4.060 0.219 1
1 1013 . 13 1 1 A 88 88 GLU H H 149 8.228 8.277 -0.049 1
1 1014 . 13 1 1 A 88 88 GLU N N 149 116.458 121.121 -4.663 1
1 1015 . 13 1 1 A 89 89 LEU CA C 150 57.767 56.006 1.761 1
1 1016 . 13 1 1 A 89 89 LEU CB C 150 42.450 42.141 0.309 1
1 1020 . 13 1 1 A 89 89 LEU HA H 150 4.239 4.271 -0.032 1
1 1024 . 13 1 1 A 89 89 LEU H H 150 8.401 8.102 0.299 1
1 1025 . 13 1 1 A 89 89 LEU N N 150 117.854 118.840 -0.986 1
1 1032 . 13 1 1 A 90 90 ASP CA C 151 56.503 56.292 0.211 1
1 1033 . 13 1 1 A 90 90 ASP CB C 151 42.435 40.985 1.450 1
1 1034 . 13 1 1 A 90 90 ASP HA H 151 5.034 4.512 0.522 1
1 1037 . 13 1 1 A 90 90 ASP H H 151 8.524 8.042 0.482 1
1 1038 . 13 1 1 A 90 90 ASP N N 151 118.978 119.119 -0.141 1
1 1039 . 13 1 1 A 91 91 LYS CA C 152 58.455 58.032 0.423 1
1 1040 . 13 1 1 A 91 91 LYS CB C 152 33.021 33.037 -0.016 1
1 1044 . 13 1 1 A 91 91 LYS HA H 152 4.279 4.167 0.112 1
1 1049 . 13 1 1 A 91 91 LYS H H 152 7.348 7.566 -0.218 1
1 1050 . 13 1 1 A 91 91 LYS N N 152 114.172 117.104 -2.932 1
1 1053 . 13 1 1 A 92 92 ILE CA C 153 61.448 61.673 -0.225 1
1 1054 . 13 1 1 A 92 92 ILE CB C 153 39.068 38.177 0.891 1
1 1058 . 13 1 1 A 92 92 ILE HA H 153 4.427 3.802 0.625 1
1 1062 . 13 1 1 A 92 92 ILE H H 153 7.597 7.565 0.032 1
1 1063 . 13 1 1 A 92 92 ILE N N 153 114.441 120.022 -5.581 1
1 1070 . 13 1 1 A 93 93 THR CA C 154 65.433 63.679 1.754 1
1 1071 . 13 1 1 A 93 93 THR CB C 154 67.799 69.478 -1.679 1
1 1073 . 13 1 1 A 93 93 THR HA H 154 3.879 4.208 -0.329 1
1 1075 . 13 1 1 A 93 93 THR H H 154 8.195 7.195 1.000 1
1 1076 . 13 1 1 A 93 93 THR N N 154 110.253 112.762 -2.509 1
1 1080 . 13 1 1 A 94 94 ASP CA C 155 57.822 56.727 1.095 1
1 1081 . 13 1 1 A 94 94 ASP CB C 155 41.397 41.387 0.010 1
1 1082 . 13 1 1 A 94 94 ASP HA H 155 4.514 4.428 0.086 1
1 1085 . 13 1 1 A 94 94 ASP H H 155 8.474 8.154 0.320 1
1 1086 . 13 1 1 A 94 94 ASP N N 155 124.348 121.636 2.712 1
1 1087 . 13 1 1 A 95 95 ARG CA C 156 57.783 58.219 -0.436 1
1 1088 . 13 1 1 A 95 95 ARG CB C 156 29.386 30.248 -0.862 1
1 1091 . 13 1 1 A 95 95 ARG HA H 156 4.173 4.205 -0.032 1
1 1096 . 13 1 1 A 95 95 ARG H H 156 7.680 8.048 -0.368 1
1 1097 . 13 1 1 A 95 95 ARG N N 156 117.839 116.975 0.864 1
1 1099 . 13 1 1 A 96 96 TRP CB C 157 29.856 29.921 -0.065 1
1 1105 . 13 1 1 A 96 96 TRP HA H 157 4.943 4.793 0.150 1
1 1112 . 13 1 1 A 96 96 TRP H H 157 7.880 7.588 0.292 1
1 1115 . 13 1 1 A 96 96 TRP N N 157 117.944 119.027 -1.083 1
1 1117 . 13 1 1 A 97 97 GLY CA C 158 46.688 46.606 0.082 1
1 1118 . 13 1 1 A 97 97 GLY HA2 H 158 4.411 4.035 0.376 1
1 1119 . 13 1 1 A 97 97 GLY HA3 H 158 4.249 4.050 0.199 1
1 1120 . 13 1 1 A 97 97 GLY H H 158 7.972 7.988 -0.016 1
1 1121 . 13 1 1 A 97 97 GLY N N 158 104.253 109.655 -5.402 1
1 1122 . 13 1 1 A 98 98 VAL CA C 159 60.417 61.144 -0.727 1
1 1123 . 13 1 1 A 98 98 VAL CB C 159 36.365 34.782 1.583 1
1 1126 . 13 1 1 A 98 98 VAL HA H 159 5.012 4.530 0.482 1
1 1128 . 13 1 1 A 98 98 VAL H H 159 7.468 7.798 -0.330 1
1 1129 . 13 1 1 A 98 98 VAL N N 159 115.979 120.061 -4.082 1
1 1136 . 13 1 1 A 99 99 LYS CA C 160 53.521 54.450 -0.929 1
1 1137 . 13 1 1 A 99 99 LYS CB C 160 36.083 35.848 0.235 1
1 1141 . 13 1 1 A 99 99 LYS HA H 160 5.053 5.079 -0.026 1
1 1148 . 13 1 1 A 99 99 LYS H H 160 9.259 9.081 0.178 1
1 1149 . 13 1 1 A 99 99 LYS N N 160 126.977 128.488 -1.511 1
1 1151 . 13 1 1 A 100 100 ILE CB C 161 35.185 37.166 -1.981 1
1 1155 . 13 1 1 A 100 100 ILE HA H 161 4.896 4.391 0.505 1
1 1159 . 13 1 1 A 100 100 ILE H H 161 9.310 9.009 0.301 1
1 1160 . 13 1 1 A 100 100 ILE N N 161 127.468 126.983 0.485 1
1 1167 . 13 1 1 A 101 101 THR CA C 162 63.075 65.312 -2.237 1
1 1168 . 13 1 1 A 101 101 THR CB C 162 67.345 68.962 -1.617 1
1 1170 . 13 1 1 A 101 101 THR HA H 162 4.254 4.173 0.081 1
1 1172 . 13 1 1 A 101 101 THR H H 162 8.783 8.716 0.067 1
1 1173 . 13 1 1 A 101 101 THR N N 162 120.609 120.337 0.272 1
1 1177 . 13 1 1 A 102 102 ARG CA C 163 55.929 54.903 1.026 1
1 1178 . 13 1 1 A 102 102 ARG CB C 163 32.468 32.218 0.250 1
1 1181 . 13 1 1 A 102 102 ARG HA H 163 4.606 4.682 -0.076 1
1 1188 . 13 1 1 A 102 102 ARG H H 163 7.669 7.693 -0.024 1
1 1189 . 13 1 1 A 102 102 ARG N N 163 118.258 118.341 -0.083 1
1 1190 . 13 1 1 A 103 103 VAL CB C 164 35.090 35.669 -0.579 1
1 1193 . 13 1 1 A 103 103 VAL HA H 164 4.886 4.714 0.172 1
1 1195 . 13 1 1 A 103 103 VAL H H 164 8.700 8.311 0.389 1
1 1196 . 13 1 1 A 103 103 VAL N N 164 122.135 119.217 2.918 1
1 1203 . 13 1 1 A 104 104 GLU CA C 165 54.469 54.470 -0.001 1
1 1204 . 13 1 1 A 104 104 GLU CB C 165 33.028 33.353 -0.325 1
1 1206 . 13 1 1 A 104 104 GLU HA H 165 4.835 5.018 -0.183 1
1 1209 . 13 1 1 A 104 104 GLU H H 165 9.011 8.679 0.332 1
1 1210 . 13 1 1 A 104 104 GLU N N 165 123.789 125.643 -1.854 1
1 1212 . 13 1 1 A 105 105 ILE CA C 166 61.576 60.049 1.527 1
1 1213 . 13 1 1 A 105 105 ILE CB C 166 37.908 40.339 -2.431 1
1 1217 . 13 1 1 A 105 105 ILE HA H 166 4.525 4.696 -0.171 1
1 1219 . 13 1 1 A 105 105 ILE H H 166 9.869 8.881 0.988 1
1 1220 . 13 1 1 A 105 105 ILE N N 166 130.058 124.110 5.948 1
1 1229 . 13 1 1 A 106 106 GLN CA C 167 55.964 54.256 1.708 1
1 1230 . 13 1 1 A 106 106 GLN CB C 167 28.789 30.875 -2.086 1
1 1232 . 13 1 1 A 106 106 GLN HA H 167 4.661 4.644 0.017 1
1 1239 . 13 1 1 A 106 106 GLN H H 167 8.573 8.443 0.130 1
1 1240 . 13 1 1 A 106 106 GLN N N 167 127.576 125.237 2.339 1
1 1242 . 13 1 1 A 107 107 ARG CA C 168 56.113 56.229 -0.116 1
1 1243 . 13 1 1 A 107 107 ARG CB C 168 32.098 30.508 1.590 1
1 1246 . 13 1 1 A 107 107 ARG HA H 168 4.468 4.176 0.292 1
1 1251 . 13 1 1 A 107 107 ARG H H 168 8.762 8.386 0.376 1
1 1252 . 13 1 1 A 107 107 ARG N N 168 122.725 121.547 1.178 1
1 1254 . 13 1 1 A 108 108 ILE CA C 169 61.618 59.698 1.920 1
1 1255 . 13 1 1 A 108 108 ILE CB C 169 39.583 40.842 -1.259 1
1 1259 . 13 1 1 A 108 108 ILE HA H 169 4.451 4.759 -0.308 1
1 1263 . 13 1 1 A 108 108 ILE H H 169 7.996 8.324 -0.328 1
1 1264 . 13 1 1 A 108 108 ILE N N 169 120.383 122.740 -2.357 1
1 1271 . 13 1 1 A 109 109 ASP CA C 170 51.571 50.302 1.269 1
1 1272 . 13 1 1 A 109 109 ASP CB C 170 42.763 42.081 0.682 1
1 1273 . 13 1 1 A 109 109 ASP HA H 170 5.579 5.149 0.430 1
1 1276 . 13 1 1 A 109 109 ASP H H 170 9.067 8.527 0.540 1
1 1277 . 13 1 1 A 109 109 ASP N N 170 126.604 124.801 1.803 1
1 1278 . 13 1 1 A 110 110 PRO CA C 171 61.302 61.425 -0.123 1
1 1279 . 13 1 1 A 110 110 PRO CB C 171 30.857 31.407 -0.550 1
1 1282 . 13 1 1 A 110 110 PRO HA H 171 5.081 4.719 0.362 1
1 1288 . 13 1 1 A 111 111 PRO CA C 172 63.367 62.541 0.826 1
1 1289 . 13 1 1 A 111 111 PRO CB C 172 32.050 31.922 0.128 1
1 1292 . 13 1 1 A 111 111 PRO HA H 172 4.568 4.491 0.077 1
1 1298 . 13 1 1 A 112 112 LYS CA C 173 55.951 56.799 -0.848 1
1 1299 . 13 1 1 A 112 112 LYS CB C 173 33.412 33.393 0.019 1
1 1303 . 13 1 1 A 112 112 LYS HA H 173 4.465 4.353 0.112 1
1 1306 . 13 1 1 A 112 112 LYS H H 173 8.533 8.369 0.164 1
1 1307 . 13 1 1 A 112 112 LYS N N 173 122.499 121.521 0.978 1
1 1 . 14 1 1 A 2 2 SER HA H 63 4.660 5.162 -0.502 1
1 4 . 14 1 1 A 2 2 SER CB C 63 63.645 63.784 -0.139 1
1 5 . 14 1 1 A 3 3 ASP HA H 64 4.688 4.557 0.131 1
1 8 . 14 1 1 A 3 3 ASP H H 64 8.603 9.041 -0.438 1
1 9 . 14 1 1 A 3 3 ASP CA C 64 54.354 55.906 -1.552 1
1 10 . 14 1 1 A 3 3 ASP CB C 64 40.980 40.861 0.119 1
1 11 . 14 1 1 A 3 3 ASP N N 64 122.069 126.742 -4.673 1
1 12 . 14 1 1 A 4 4 HIS HA H 65 4.735 5.163 -0.428 1
1 17 . 14 1 1 A 4 4 HIS H H 65 8.354 8.095 0.259 1
1 18 . 14 1 1 A 4 4 HIS CA C 65 56.220 53.917 2.303 1
1 19 . 14 1 1 A 4 4 HIS CB C 65 30.570 31.437 -0.867 1
1 22 . 14 1 1 A 4 4 HIS N N 65 119.219 113.228 5.991 1
1 29 . 14 1 1 A 5 5 VAL HA H 66 4.183 4.469 -0.286 1
1 31 . 14 1 1 A 5 5 VAL H H 66 8.073 8.366 -0.293 1
1 32 . 14 1 1 A 5 5 VAL CA C 66 62.127 60.727 1.400 1
1 33 . 14 1 1 A 5 5 VAL CB C 66 32.960 34.142 -1.182 1
1 36 . 14 1 1 A 5 5 VAL N N 66 121.775 121.689 0.086 1
1 37 . 14 1 1 A 6 6 ASP CA C 67 53.727 57.384 -3.657 1
1 38 . 14 1 1 A 6 6 ASP CB C 67 41.472 40.627 0.845 1
1 39 . 14 1 1 A 6 6 ASP HA H 67 4.771 4.295 0.476 1
1 42 . 14 1 1 A 6 6 ASP H H 67 8.615 9.176 -0.561 1
1 43 . 14 1 1 A 6 6 ASP N N 67 124.725 126.998 -2.273 1
1 44 . 14 1 1 A 7 7 LEU CA C 68 54.586 55.994 -1.408 1
1 45 . 14 1 1 A 7 7 LEU CB C 68 41.657 40.499 1.158 1
1 49 . 14 1 1 A 7 7 LEU HA H 68 4.556 3.755 0.801 1
1 53 . 14 1 1 A 7 7 LEU H H 68 8.441 7.948 0.493 1
1 54 . 14 1 1 A 7 7 LEU N N 68 123.747 117.106 6.641 1
1 61 . 14 1 1 A 8 8 ARG CA C 69 56.247 56.100 0.147 1
1 62 . 14 1 1 A 8 8 ARG CB C 69 30.828 30.580 0.248 1
1 65 . 14 1 1 A 8 8 ARG HA H 69 4.253 4.162 0.091 1
1 70 . 14 1 1 A 8 8 ARG H H 69 8.209 7.645 0.564 1
1 71 . 14 1 1 A 8 8 ARG N N 69 121.063 117.735 3.328 1
1 73 . 14 1 1 A 9 9 GLU CA C 70 55.691 54.732 0.959 1
1 74 . 14 1 1 A 9 9 GLU CB C 70 31.777 32.689 -0.912 1
1 76 . 14 1 1 A 9 9 GLU HA H 70 4.655 4.716 -0.061 1
1 79 . 14 1 1 A 9 9 GLU H H 70 8.338 8.453 -0.115 1
1 80 . 14 1 1 A 9 9 GLU N N 70 121.677 119.937 1.740 1
1 82 . 14 1 1 A 10 10 HIS CA C 71 54.619 53.540 1.079 1
1 83 . 14 1 1 A 10 10 HIS CB C 71 32.189 32.134 0.055 1
1 86 . 14 1 1 A 10 10 HIS HA H 71 4.716 4.984 -0.268 1
1 91 . 14 1 1 A 10 10 HIS H H 71 9.043 8.870 0.173 1
1 92 . 14 1 1 A 10 10 HIS N N 71 125.575 119.948 5.627 1
1 93 . 14 1 1 A 11 11 VAL CA C 72 60.567 60.144 0.423 1
1 94 . 14 1 1 A 11 11 VAL CB C 72 35.380 33.774 1.606 1
1 97 . 14 1 1 A 11 11 VAL HA H 72 4.951 4.520 0.431 1
1 99 . 14 1 1 A 11 11 VAL H H 72 8.218 8.756 -0.538 1
1 100 . 14 1 1 A 11 11 VAL N N 72 117.348 123.391 -6.043 1
1 107 . 14 1 1 A 12 12 ILE CA C 73 59.857 60.010 -0.153 1
1 108 . 14 1 1 A 12 12 ILE CB C 73 41.969 38.744 3.225 1
1 112 . 14 1 1 A 12 12 ILE HA H 73 4.464 4.863 -0.399 1
1 116 . 14 1 1 A 12 12 ILE H H 73 9.272 9.373 -0.101 1
1 117 . 14 1 1 A 12 12 ILE N N 73 126.908 130.012 -3.104 1
1 124 . 14 1 1 A 13 13 ASP CB C 74 41.534 41.592 -0.058 1
1 125 . 14 1 1 A 13 13 ASP HA H 74 4.885 4.979 -0.094 1
1 128 . 14 1 1 A 13 13 ASP H H 74 8.501 8.855 -0.354 1
1 129 . 14 1 1 A 13 13 ASP N N 74 126.253 128.522 -2.269 1
1 130 . 14 1 1 A 14 14 VAL CA C 75 59.550 58.685 0.865 1
1 131 . 14 1 1 A 14 14 VAL CB C 75 32.270 33.859 -1.589 1
1 134 . 14 1 1 A 14 14 VAL HA H 75 4.491 4.817 -0.326 1
1 136 . 14 1 1 A 14 14 VAL H H 75 8.758 9.029 -0.271 1
1 137 . 14 1 1 A 14 14 VAL N N 75 124.997 124.330 0.667 1
1 144 . 14 1 1 A 15 15 PRO CB C 76 30.981 31.619 -0.638 1
1 147 . 14 1 1 A 15 15 PRO HA H 76 4.837 4.725 0.112 1
1 153 . 14 1 1 A 16 16 PRO CB C 77 32.267 33.117 -0.850 1
1 156 . 14 1 1 A 16 16 PRO HA H 77 4.881 4.826 0.055 1
1 162 . 14 1 1 A 17 17 GLN CA C 78 53.332 55.107 -1.775 1
1 163 . 14 1 1 A 17 17 GLN CB C 78 33.352 32.281 1.071 1
1 165 . 14 1 1 A 17 17 GLN HA H 78 4.768 4.597 0.171 1
1 170 . 14 1 1 A 17 17 GLN H H 78 8.612 8.468 0.144 1
1 171 . 14 1 1 A 17 17 GLN N N 78 119.550 121.623 -2.073 1
1 175 . 14 1 1 A 18 18 GLU CA C 79 55.955 56.215 -0.260 1
1 176 . 14 1 1 A 18 18 GLU CB C 79 30.087 30.267 -0.180 1
1 178 . 14 1 1 A 18 18 GLU HA H 79 5.070 4.751 0.319 1
1 183 . 14 1 1 A 18 18 GLU H H 79 8.626 8.760 -0.134 1
1 184 . 14 1 1 A 18 18 GLU N N 79 123.226 126.724 -3.498 1
1 185 . 14 1 1 A 19 19 VAL CA C 80 60.191 59.388 0.803 1
1 186 . 14 1 1 A 19 19 VAL CB C 80 34.901 34.685 0.216 1
1 189 . 14 1 1 A 19 19 VAL HA H 80 4.562 4.906 -0.344 1
1 191 . 14 1 1 A 19 19 VAL H H 80 9.568 8.354 1.214 1
1 192 . 14 1 1 A 19 19 VAL N N 80 123.365 118.016 5.349 1
1 199 . 14 1 1 A 20 20 ILE CA C 81 60.810 61.152 -0.342 1
1 200 . 14 1 1 A 20 20 ILE CB C 81 39.198 37.395 1.803 1
1 204 . 14 1 1 A 20 20 ILE HA H 81 4.678 4.222 0.456 1
1 208 . 14 1 1 A 20 20 ILE H H 81 8.048 8.681 -0.633 1
1 209 . 14 1 1 A 20 20 ILE N N 81 122.564 123.900 -1.336 1
1 216 . 14 1 1 A 21 21 CYS CB C 82 29.386 28.775 0.611 1
1 217 . 14 1 1 A 21 21 CYS HA H 82 4.932 4.479 0.453 1
1 220 . 14 1 1 A 21 21 CYS H H 82 8.796 9.086 -0.290 1
1 221 . 14 1 1 A 21 21 CYS N N 82 125.960 126.765 -0.805 1
1 222 . 14 1 1 A 22 22 LYS CA C 83 59.330 59.632 -0.302 1
1 223 . 14 1 1 A 22 22 LYS CB C 83 33.478 32.181 1.297 1
1 227 . 14 1 1 A 22 22 LYS HA H 83 4.096 4.085 0.011 1
1 234 . 14 1 1 A 22 22 LYS H H 83 8.735 8.824 -0.089 1
1 235 . 14 1 1 A 22 22 LYS N N 83 123.785 124.753 -0.968 1
1 237 . 14 1 1 A 23 23 ASP CA C 84 53.011 52.875 0.136 1
1 238 . 14 1 1 A 23 23 ASP CB C 84 38.642 40.329 -1.687 1
1 239 . 14 1 1 A 23 23 ASP HA H 84 4.694 4.709 -0.015 1
1 242 . 14 1 1 A 23 23 ASP H H 84 8.667 7.684 0.983 1
1 243 . 14 1 1 A 23 23 ASP N N 84 112.676 117.793 -5.117 1
1 244 . 14 1 1 A 24 24 ASN CA C 85 54.989 54.325 0.664 1
1 245 . 14 1 1 A 24 24 ASN CB C 85 36.698 36.947 -0.249 1
1 246 . 14 1 1 A 24 24 ASN HA H 85 4.321 4.274 0.047 1
1 251 . 14 1 1 A 24 24 ASN H H 85 8.264 7.957 0.307 1
1 252 . 14 1 1 A 24 24 ASN N N 85 112.321 113.458 -1.137 1
1 254 . 14 1 1 A 25 25 VAL CA C 86 61.920 61.341 0.579 1
1 255 . 14 1 1 A 25 25 VAL CB C 86 33.581 33.618 -0.037 1
1 258 . 14 1 1 A 25 25 VAL HA H 86 4.247 4.439 -0.192 1
1 260 . 14 1 1 A 25 25 VAL H H 86 6.817 7.608 -0.791 1
1 261 . 14 1 1 A 25 25 VAL N N 86 117.663 118.551 -0.888 1
1 268 . 14 1 1 A 26 26 VAL CA C 87 62.127 62.697 -0.570 1
1 269 . 14 1 1 A 26 26 VAL CB C 87 32.468 31.157 1.311 1
1 272 . 14 1 1 A 26 26 VAL HA H 87 4.710 4.506 0.204 1
1 274 . 14 1 1 A 26 26 VAL H H 87 8.467 8.831 -0.364 1
1 275 . 14 1 1 A 26 26 VAL N N 87 128.149 128.244 -0.095 1
1 282 . 14 1 1 A 27 27 VAL CA C 88 58.409 59.042 -0.633 1
1 283 . 14 1 1 A 27 27 VAL CB C 88 34.991 35.354 -0.363 1
1 286 . 14 1 1 A 27 27 VAL HA H 88 4.995 4.870 0.125 1
1 288 . 14 1 1 A 27 27 VAL H H 88 8.983 8.513 0.470 1
1 289 . 14 1 1 A 27 27 VAL N N 88 119.421 121.202 -1.781 1
1 296 . 14 1 1 A 28 28 THR CA C 89 62.180 62.546 -0.366 1
1 297 . 14 1 1 A 28 28 THR CB C 89 69.351 68.938 0.413 1
1 299 . 14 1 1 A 28 28 THR HA H 89 5.249 4.549 0.700 1
1 301 . 14 1 1 A 28 28 THR H H 89 8.544 8.831 -0.287 1
1 302 . 14 1 1 A 28 28 THR N N 89 118.810 119.680 -0.870 1
1 306 . 14 1 1 A 29 29 VAL CA C 90 58.826 59.764 -0.938 1
1 307 . 14 1 1 A 29 29 VAL CB C 90 36.035 34.426 1.609 1
1 310 . 14 1 1 A 29 29 VAL HA H 90 5.527 4.964 0.563 1
1 312 . 14 1 1 A 29 29 VAL H H 90 8.818 8.426 0.392 1
1 313 . 14 1 1 A 29 29 VAL N N 90 123.670 127.668 -3.998 1
1 320 . 14 1 1 A 30 30 ASP CA C 91 52.821 52.683 0.138 1
1 321 . 14 1 1 A 30 30 ASP CB C 91 42.960 45.118 -2.158 1
1 322 . 14 1 1 A 30 30 ASP HA H 91 4.785 5.564 -0.779 1
1 325 . 14 1 1 A 30 30 ASP H H 91 8.478 9.055 -0.577 1
1 326 . 14 1 1 A 30 30 ASP N N 91 125.411 126.840 -1.429 1
1 327 . 14 1 1 A 31 31 ALA CA C 92 51.718 51.332 0.386 1
1 328 . 14 1 1 A 31 31 ALA CB C 92 22.216 23.489 -1.273 1
1 329 . 14 1 1 A 31 31 ALA HA H 92 5.268 4.970 0.298 1
1 330 . 14 1 1 A 31 31 ALA H H 92 8.075 8.353 -0.278 1
1 331 . 14 1 1 A 31 31 ALA N N 92 116.806 120.736 -3.930 1
1 335 . 14 1 1 A 32 32 VAL CB C 93 34.772 33.711 1.061 1
1 338 . 14 1 1 A 32 32 VAL HA H 93 4.901 4.991 -0.090 1
1 340 . 14 1 1 A 32 32 VAL H H 93 8.306 8.703 -0.397 1
1 341 . 14 1 1 A 32 32 VAL N N 93 117.482 115.731 1.751 1
1 348 . 14 1 1 A 33 33 VAL CA C 94 61.058 61.200 -0.142 1
1 349 . 14 1 1 A 33 33 VAL CB C 94 34.773 35.200 -0.427 1
1 352 . 14 1 1 A 33 33 VAL HA H 94 4.515 4.936 -0.421 1
1 354 . 14 1 1 A 33 33 VAL H H 94 8.873 8.728 0.145 1
1 355 . 14 1 1 A 33 33 VAL N N 94 124.653 121.908 2.745 1
1 362 . 14 1 1 A 34 34 TYR CA C 95 56.333 57.613 -1.280 1
1 363 . 14 1 1 A 34 34 TYR CB C 95 40.336 40.922 -0.586 1
1 366 . 14 1 1 A 34 34 TYR HA H 95 5.834 5.669 0.165 1
1 371 . 14 1 1 A 34 34 TYR H H 95 8.989 8.737 0.252 1
1 372 . 14 1 1 A 34 34 TYR N N 95 126.081 127.364 -1.283 1
1 375 . 14 1 1 A 35 35 TYR CA C 96 55.679 56.544 -0.865 1
1 376 . 14 1 1 A 35 35 TYR CB C 96 42.824 40.916 1.908 1
1 379 . 14 1 1 A 35 35 TYR HA H 96 6.097 5.521 0.576 1
1 384 . 14 1 1 A 35 35 TYR H H 96 9.102 8.391 0.711 1
1 385 . 14 1 1 A 35 35 TYR N N 96 117.188 118.592 -1.404 1
1 388 . 14 1 1 A 36 36 GLN CB C 97 33.643 32.439 1.204 1
1 390 . 14 1 1 A 36 36 GLN HA H 97 4.942 4.988 -0.046 1
1 395 . 14 1 1 A 36 36 GLN H H 97 9.441 8.539 0.902 1
1 396 . 14 1 1 A 36 36 GLN N N 97 118.000 118.827 -0.827 1
1 399 . 14 1 1 A 37 37 VAL CA C 98 63.621 63.354 0.267 1
1 400 . 14 1 1 A 37 37 VAL CB C 98 31.380 30.716 0.664 1
1 403 . 14 1 1 A 37 37 VAL HA H 98 4.286 4.065 0.221 1
1 405 . 14 1 1 A 37 37 VAL H H 98 9.692 8.955 0.737 1
1 406 . 14 1 1 A 37 37 VAL N N 98 126.436 123.372 3.064 1
1 413 . 14 1 1 A 38 38 ILE CA C 99 61.011 63.585 -2.574 1
1 414 . 14 1 1 A 38 38 ILE CB C 99 38.943 37.876 1.067 1
1 418 . 14 1 1 A 38 38 ILE HA H 99 4.514 3.977 0.537 1
1 422 . 14 1 1 A 38 38 ILE H H 99 8.540 8.040 0.500 1
1 423 . 14 1 1 A 38 38 ILE N N 99 123.480 124.965 -1.485 1
1 430 . 14 1 1 A 39 39 ASP CA C 100 50.850 50.687 0.163 1
1 431 . 14 1 1 A 39 39 ASP CB C 100 41.979 42.145 -0.166 1
1 432 . 14 1 1 A 39 39 ASP HA H 100 5.326 4.967 0.359 1
1 435 . 14 1 1 A 39 39 ASP H H 100 8.135 7.671 0.464 1
1 436 . 14 1 1 A 39 39 ASP N N 100 119.056 122.350 -3.294 1
1 437 . 14 1 1 A 40 40 PRO CA C 101 64.279 64.015 0.264 1
1 438 . 14 1 1 A 40 40 PRO CB C 101 32.510 31.796 0.714 1
1 441 . 14 1 1 A 40 40 PRO HA H 101 4.299 4.368 -0.069 1
1 448 . 14 1 1 A 41 41 VAL CA C 102 65.120 65.172 -0.052 1
1 449 . 14 1 1 A 41 41 VAL CB C 102 31.406 31.667 -0.261 1
1 452 . 14 1 1 A 41 41 VAL HA H 102 3.886 3.821 0.065 1
1 454 . 14 1 1 A 41 41 VAL H H 102 7.936 7.344 0.592 1
1 455 . 14 1 1 A 41 41 VAL N N 102 118.168 116.702 1.466 1
1 462 . 14 1 1 A 42 42 LYS CA C 103 57.852 59.417 -1.565 1
1 463 . 14 1 1 A 42 42 LYS CB C 103 33.597 32.458 1.139 1
1 467 . 14 1 1 A 42 42 LYS HA H 103 4.242 4.190 0.052 1
1 472 . 14 1 1 A 42 42 LYS H H 103 7.240 8.135 -0.895 1
1 473 . 14 1 1 A 42 42 LYS N N 103 118.280 119.795 -1.515 1
1 476 . 14 1 1 A 43 43 ALA CA C 104 53.615 52.077 1.538 1
1 477 . 14 1 1 A 43 43 ALA CB C 104 18.578 18.499 0.079 1
1 478 . 14 1 1 A 43 43 ALA HA H 104 4.632 4.487 0.145 1
1 479 . 14 1 1 A 43 43 ALA H H 104 7.702 7.546 0.156 1
1 480 . 14 1 1 A 43 43 ALA N N 104 122.122 120.789 1.333 1
1 484 . 14 1 1 A 44 44 VAL CA C 105 62.530 61.512 1.018 1
1 485 . 14 1 1 A 44 44 VAL CB C 105 31.680 31.651 0.029 1
1 488 . 14 1 1 A 44 44 VAL HA H 105 4.197 4.286 -0.089 1
1 490 . 14 1 1 A 44 44 VAL H H 105 7.682 7.545 0.137 1
1 491 . 14 1 1 A 44 44 VAL N N 105 115.037 116.474 -1.437 1
1 498 . 14 1 1 A 45 45 TYR CA C 106 57.222 56.979 0.243 1
1 499 . 14 1 1 A 45 45 TYR CB C 106 38.651 37.715 0.936 1
1 502 . 14 1 1 A 45 45 TYR HA H 106 4.652 4.783 -0.131 1
1 505 . 14 1 1 A 45 45 TYR H H 106 7.436 7.396 0.040 1
1 506 . 14 1 1 A 45 45 TYR N N 106 118.804 121.216 -2.412 1
1 510 . 14 1 1 A 46 46 ASN CB C 107 39.028 36.788 2.240 1
1 511 . 14 1 1 A 46 46 ASN HA H 107 4.959 4.308 0.651 1
1 516 . 14 1 1 A 46 46 ASN H H 107 8.614 8.107 0.507 1
1 517 . 14 1 1 A 46 46 ASN N N 107 118.495 113.728 4.767 1
1 519 . 14 1 1 A 47 47 VAL CA C 108 65.178 63.007 2.171 1
1 520 . 14 1 1 A 47 47 VAL CB C 108 32.022 29.544 2.478 1
1 523 . 14 1 1 A 47 47 VAL HA H 108 3.952 3.567 0.385 1
1 525 . 14 1 1 A 47 47 VAL H H 108 8.342 7.924 0.418 1
1 526 . 14 1 1 A 47 47 VAL N N 108 123.377 117.311 6.066 1
1 533 . 14 1 1 A 48 48 SER CA C 109 61.473 61.705 -0.232 1
1 534 . 14 1 1 A 48 48 SER CB C 109 62.248 63.793 -1.545 1
1 535 . 14 1 1 A 48 48 SER HA H 109 4.298 4.377 -0.079 1
1 536 . 14 1 1 A 48 48 SER H H 109 8.353 8.193 0.160 1
1 537 . 14 1 1 A 48 48 SER N N 109 116.439 117.299 -0.860 1
1 539 . 14 1 1 A 49 49 ASP CA C 110 56.211 57.193 -0.982 1
1 540 . 14 1 1 A 49 49 ASP CB C 110 40.691 40.022 0.669 1
1 541 . 14 1 1 A 49 49 ASP HA H 110 4.534 4.165 0.369 1
1 542 . 14 1 1 A 49 49 ASP H H 110 7.832 8.306 -0.474 1
1 543 . 14 1 1 A 49 49 ASP N N 110 121.141 121.884 -0.743 1
1 545 . 14 1 1 A 50 50 PHE CA C 111 60.009 61.474 -1.465 1
1 546 . 14 1 1 A 50 50 PHE CB C 111 38.598 39.548 -0.950 1
1 550 . 14 1 1 A 50 50 PHE HA H 111 3.486 4.170 -0.684 1
1 555 . 14 1 1 A 50 50 PHE H H 111 8.044 8.352 -0.308 1
1 557 . 14 1 1 A 50 50 PHE N N 111 122.621 122.635 -0.014 1
1 560 . 14 1 1 A 51 51 LEU CA C 112 58.009 58.042 -0.033 1
1 561 . 14 1 1 A 51 51 LEU CB C 112 41.213 42.111 -0.898 1
1 565 . 14 1 1 A 51 51 LEU HA H 112 3.546 3.597 -0.051 1
1 569 . 14 1 1 A 51 51 LEU H H 112 8.046 8.388 -0.342 1
1 570 . 14 1 1 A 51 51 LEU N N 112 119.691 120.658 -0.967 1
1 577 . 14 1 1 A 52 52 MET CA C 113 57.696 58.370 -0.674 1
1 578 . 14 1 1 A 52 52 MET CB C 113 32.289 32.360 -0.071 1
1 581 . 14 1 1 A 52 52 MET HA H 113 4.231 4.103 0.128 1
1 586 . 14 1 1 A 52 52 MET H H 113 7.563 8.222 -0.659 1
1 587 . 14 1 1 A 52 52 MET N N 113 115.770 116.853 -1.083 1
1 591 . 14 1 1 A 53 53 ALA CA C 114 54.815 55.061 -0.246 1
1 592 . 14 1 1 A 53 53 ALA CB C 114 18.369 18.432 -0.063 1
1 593 . 14 1 1 A 53 53 ALA HA H 114 4.199 4.053 0.146 1
1 594 . 14 1 1 A 53 53 ALA H H 114 7.878 7.947 -0.069 1
1 595 . 14 1 1 A 53 53 ALA N N 114 121.804 122.674 -0.870 1
1 599 . 14 1 1 A 54 54 ILE CA C 115 63.259 64.990 -1.731 1
1 600 . 14 1 1 A 54 54 ILE CB C 115 36.127 37.568 -1.441 1
1 604 . 14 1 1 A 54 54 ILE HA H 115 3.767 3.629 0.138 1
1 608 . 14 1 1 A 54 54 ILE H H 115 8.202 8.340 -0.138 1
1 609 . 14 1 1 A 54 54 ILE N N 115 118.054 118.000 0.054 1
1 616 . 14 1 1 A 55 55 VAL CA C 116 68.036 66.727 1.309 1
1 617 . 14 1 1 A 55 55 VAL CB C 116 31.463 31.548 -0.085 1
1 620 . 14 1 1 A 55 55 VAL HA H 116 3.509 3.570 -0.061 1
1 622 . 14 1 1 A 55 55 VAL H H 116 7.961 7.479 0.482 1
1 623 . 14 1 1 A 55 55 VAL N N 116 121.095 119.807 1.288 1
1 630 . 14 1 1 A 56 56 LYS CA C 117 59.077 59.189 -0.112 1
1 631 . 14 1 1 A 56 56 LYS CB C 117 31.997 32.327 -0.330 1
1 635 . 14 1 1 A 56 56 LYS HA H 117 4.297 4.073 0.224 1
1 638 . 14 1 1 A 56 56 LYS H H 117 8.000 7.617 0.383 1
1 639 . 14 1 1 A 56 56 LYS N N 117 118.806 118.902 -0.096 1
1 643 . 14 1 1 A 57 57 LEU CA C 118 57.515 57.983 -0.468 1
1 644 . 14 1 1 A 57 57 LEU CB C 118 42.727 41.556 1.171 1
1 648 . 14 1 1 A 57 57 LEU HA H 118 4.286 3.920 0.366 1
1 652 . 14 1 1 A 57 57 LEU H H 118 8.390 8.515 -0.125 1
1 653 . 14 1 1 A 57 57 LEU N N 118 120.738 120.067 0.671 1
1 660 . 14 1 1 A 58 58 ALA CA C 119 55.695 55.533 0.162 1
1 661 . 14 1 1 A 58 58 ALA CB C 119 17.984 18.462 -0.478 1
1 662 . 14 1 1 A 58 58 ALA HA H 119 4.131 4.028 0.103 1
1 663 . 14 1 1 A 58 58 ALA H H 119 9.213 8.697 0.516 1
1 664 . 14 1 1 A 58 58 ALA N N 119 123.641 120.092 3.549 1
1 668 . 14 1 1 A 59 59 GLN CA C 120 60.234 59.099 1.135 1
1 669 . 14 1 1 A 59 59 GLN CB C 120 28.353 28.193 0.160 1
1 671 . 14 1 1 A 59 59 GLN HA H 120 3.972 3.970 0.002 1
1 678 . 14 1 1 A 59 59 GLN H H 120 8.649 7.760 0.889 1
1 679 . 14 1 1 A 59 59 GLN N N 120 116.453 117.331 -0.878 1
1 681 . 14 1 1 A 60 60 THR CA C 121 66.360 66.895 -0.535 1
1 682 . 14 1 1 A 60 60 THR CB C 121 68.868 68.938 -0.070 1
1 684 . 14 1 1 A 60 60 THR HA H 121 4.076 3.918 0.158 1
1 686 . 14 1 1 A 60 60 THR H H 121 8.566 8.121 0.445 1
1 687 . 14 1 1 A 60 60 THR N N 121 115.479 117.086 -1.607 1
1 691 . 14 1 1 A 61 61 ASN CA C 122 57.397 56.336 1.061 1
1 692 . 14 1 1 A 61 61 ASN CB C 122 39.535 38.067 1.468 1
1 693 . 14 1 1 A 61 61 ASN HA H 122 4.626 4.342 0.284 1
1 698 . 14 1 1 A 61 61 ASN H H 122 8.433 8.204 0.229 1
1 699 . 14 1 1 A 61 61 ASN N N 122 120.652 118.265 2.387 1
1 701 . 14 1 1 A 62 62 LEU CA C 123 58.804 58.365 0.439 1
1 702 . 14 1 1 A 62 62 LEU CB C 123 42.331 41.697 0.634 1
1 706 . 14 1 1 A 62 62 LEU HA H 123 4.068 3.969 0.099 1
1 710 . 14 1 1 A 62 62 LEU H H 123 8.837 8.380 0.457 1
1 711 . 14 1 1 A 62 62 LEU N N 123 121.425 117.830 3.595 1
1 718 . 14 1 1 A 63 63 ARG CA C 124 59.647 59.571 0.076 1
1 719 . 14 1 1 A 63 63 ARG CB C 124 30.112 30.191 -0.079 1
1 722 . 14 1 1 A 63 63 ARG HA H 124 4.030 3.917 0.113 1
1 727 . 14 1 1 A 63 63 ARG H H 124 7.502 7.861 -0.359 1
1 728 . 14 1 1 A 63 63 ARG N N 124 116.156 119.716 -3.560 1
1 730 . 14 1 1 A 64 64 ALA CA C 125 54.793 55.122 -0.329 1
1 731 . 14 1 1 A 64 64 ALA CB C 125 18.471 18.694 -0.223 1
1 732 . 14 1 1 A 64 64 ALA HA H 125 4.260 4.056 0.204 1
1 733 . 14 1 1 A 64 64 ALA H H 125 7.637 7.750 -0.113 1
1 734 . 14 1 1 A 64 64 ALA N N 125 121.808 122.087 -0.279 1
1 738 . 14 1 1 A 65 65 ILE CA C 126 64.917 64.934 -0.017 1
1 739 . 14 1 1 A 65 65 ILE CB C 126 39.599 37.694 1.905 1
1 743 . 14 1 1 A 65 65 ILE HA H 126 3.745 3.723 0.022 1
1 747 . 14 1 1 A 65 65 ILE H H 126 8.476 7.489 0.987 1
1 748 . 14 1 1 A 65 65 ILE N N 126 117.948 117.567 0.381 1
1 755 . 14 1 1 A 66 66 ILE CA C 127 64.704 64.816 -0.112 1
1 756 . 14 1 1 A 66 66 ILE CB C 127 37.188 37.844 -0.656 1
1 760 . 14 1 1 A 66 66 ILE HA H 127 3.826 3.731 0.095 1
1 764 . 14 1 1 A 66 66 ILE H H 127 8.130 8.315 -0.185 1
1 765 . 14 1 1 A 66 66 ILE N N 127 118.919 119.687 -0.768 1
1 772 . 14 1 1 A 67 67 GLY CA C 128 46.401 46.802 -0.401 1
1 773 . 14 1 1 A 67 67 GLY HA2 H 128 4.437 3.981 0.456 1
1 774 . 14 1 1 A 67 67 GLY HA3 H 128 3.925 3.981 -0.056 1
1 775 . 14 1 1 A 67 67 GLY H H 128 7.683 7.675 0.008 1
1 776 . 14 1 1 A 67 67 GLY N N 128 104.485 109.094 -4.609 1
1 777 . 14 1 1 A 68 68 GLU CA C 129 55.446 55.245 0.201 1
1 778 . 14 1 1 A 68 68 GLU CB C 129 30.672 31.484 -0.812 1
1 780 . 14 1 1 A 68 68 GLU HA H 129 4.589 4.919 -0.330 1
1 785 . 14 1 1 A 68 68 GLU H H 129 7.111 8.225 -1.114 1
1 786 . 14 1 1 A 68 68 GLU N N 129 115.084 116.359 -1.275 1
1 787 . 14 1 1 A 69 69 MET CA C 130 55.238 54.685 0.553 1
1 788 . 14 1 1 A 69 69 MET CB C 130 36.559 36.460 0.099 1
1 791 . 14 1 1 A 69 69 MET HA H 130 4.763 4.824 -0.061 1
1 796 . 14 1 1 A 69 69 MET H H 130 8.414 8.657 -0.243 1
1 797 . 14 1 1 A 69 69 MET N N 130 121.732 121.379 0.353 1
1 801 . 14 1 1 A 70 70 GLU CA C 131 56.474 54.785 1.689 1
1 802 . 14 1 1 A 70 70 GLU CB C 131 30.686 32.145 -1.459 1
1 804 . 14 1 1 A 70 70 GLU HA H 131 4.354 4.931 -0.577 1
1 809 . 14 1 1 A 70 70 GLU H H 131 9.395 8.631 0.764 1
1 810 . 14 1 1 A 70 70 GLU N N 131 122.754 119.533 3.221 1
1 811 . 14 1 1 A 71 71 LEU CA C 132 59.955 58.356 1.599 1
1 812 . 14 1 1 A 71 71 LEU CB C 132 40.900 41.948 -1.048 1
1 816 . 14 1 1 A 71 71 LEU HA H 132 4.454 3.963 0.491 1
1 820 . 14 1 1 A 71 71 LEU H H 132 10.320 8.814 1.506 1
1 821 . 14 1 1 A 71 71 LEU N N 132 127.791 128.637 -0.846 1
1 828 . 14 1 1 A 72 72 ASP CA C 133 57.961 56.546 1.415 1
1 829 . 14 1 1 A 72 72 ASP CB C 133 40.031 40.974 -0.943 1
1 830 . 14 1 1 A 72 72 ASP HA H 133 4.452 4.441 0.011 1
1 831 . 14 1 1 A 72 72 ASP H H 133 9.283 7.874 1.409 1
1 832 . 14 1 1 A 72 72 ASP N N 133 117.573 118.794 -1.221 1
1 834 . 14 1 1 A 73 73 GLU CA C 134 58.070 59.427 -1.357 1
1 835 . 14 1 1 A 73 73 GLU CB C 134 30.329 29.727 0.602 1
1 837 . 14 1 1 A 73 73 GLU HA H 134 4.166 3.994 0.172 1
1 842 . 14 1 1 A 73 73 GLU H H 134 7.307 8.013 -0.706 1
1 843 . 14 1 1 A 73 73 GLU N N 134 118.947 120.584 -1.637 1
1 844 . 14 1 1 A 74 74 THR CA C 135 67.017 65.734 1.283 1
1 845 . 14 1 1 A 74 74 THR CB C 135 68.224 68.246 -0.022 1
1 847 . 14 1 1 A 74 74 THR HA H 135 3.966 4.054 -0.088 1
1 849 . 14 1 1 A 74 74 THR H H 135 8.334 8.379 -0.045 1
1 850 . 14 1 1 A 74 74 THR N N 135 116.702 114.265 2.437 1
1 854 . 14 1 1 A 75 75 LEU CA C 136 57.604 58.195 -0.591 1
1 855 . 14 1 1 A 75 75 LEU CB C 136 41.375 41.852 -0.477 1
1 859 . 14 1 1 A 75 75 LEU HA H 136 4.164 3.977 0.187 1
1 863 . 14 1 1 A 75 75 LEU H H 136 8.159 7.949 0.210 1
1 864 . 14 1 1 A 75 75 LEU N N 136 118.009 123.234 -5.225 1
1 871 . 14 1 1 A 76 76 SER CA C 137 58.446 57.117 1.329 1
1 872 . 14 1 1 A 76 76 SER CB C 137 63.709 63.833 -0.124 1
1 873 . 14 1 1 A 76 76 SER HA H 137 4.808 4.858 -0.050 1
1 876 . 14 1 1 A 76 76 SER H H 137 7.713 7.828 -0.115 1
1 877 . 14 1 1 A 76 76 SER N N 137 111.428 113.607 -2.179 1
1 878 . 14 1 1 A 77 77 GLY CA C 138 46.311 45.671 0.640 1
1 879 . 14 1 1 A 77 77 GLY HA2 H 138 4.815 4.184 0.631 1
1 880 . 14 1 1 A 77 77 GLY HA3 H 138 3.860 4.185 -0.325 1
1 881 . 14 1 1 A 77 77 GLY H H 138 7.779 8.313 -0.534 1
1 882 . 14 1 1 A 77 77 GLY N N 138 112.185 113.448 -1.263 1
1 883 . 14 1 1 A 78 78 ARG CA C 139 61.186 59.251 1.935 1
1 884 . 14 1 1 A 78 78 ARG CB C 139 29.871 30.287 -0.416 1
1 887 . 14 1 1 A 78 78 ARG HA H 139 3.853 4.099 -0.246 1
1 892 . 14 1 1 A 78 78 ARG H H 139 8.311 8.233 0.078 1
1 893 . 14 1 1 A 78 78 ARG N N 139 121.172 119.426 1.746 1
1 895 . 14 1 1 A 79 79 ASP CA C 140 57.533 57.700 -0.167 1
1 896 . 14 1 1 A 79 79 ASP CB C 140 39.905 41.854 -1.949 1
1 897 . 14 1 1 A 79 79 ASP HA H 140 4.630 4.300 0.330 1
1 900 . 14 1 1 A 79 79 ASP H H 140 8.749 8.223 0.526 1
1 901 . 14 1 1 A 79 79 ASP N N 140 114.843 119.628 -4.785 1
1 902 . 14 1 1 A 80 80 ILE CA C 141 63.732 65.212 -1.480 1
1 903 . 14 1 1 A 80 80 ILE CB C 141 38.239 37.934 0.305 1
1 907 . 14 1 1 A 80 80 ILE HA H 141 4.070 3.631 0.439 1
1 911 . 14 1 1 A 80 80 ILE H H 141 7.565 7.800 -0.235 1
1 912 . 14 1 1 A 80 80 ILE N N 141 121.986 119.211 2.775 1
1 919 . 14 1 1 A 81 81 ILE CA C 142 66.387 65.022 1.365 1
1 920 . 14 1 1 A 81 81 ILE CB C 142 38.194 37.547 0.647 1
1 924 . 14 1 1 A 81 81 ILE HA H 142 3.531 3.685 -0.154 1
1 928 . 14 1 1 A 81 81 ILE H H 142 8.309 7.784 0.525 1
1 929 . 14 1 1 A 81 81 ILE N N 142 121.735 119.888 1.847 1
1 936 . 14 1 1 A 82 82 ASN CA C 143 56.121 55.307 0.814 1
1 937 . 14 1 1 A 82 82 ASN CB C 143 38.023 38.419 -0.396 1
1 938 . 14 1 1 A 82 82 ASN HA H 143 4.369 4.581 -0.212 1
1 941 . 14 1 1 A 82 82 ASN H H 143 8.919 8.669 0.250 1
1 942 . 14 1 1 A 82 82 ASN N N 143 118.128 120.629 -2.501 1
1 946 . 14 1 1 A 83 83 ALA CA C 144 55.230 54.962 0.268 1
1 947 . 14 1 1 A 83 83 ALA CB C 144 18.378 18.541 -0.163 1
1 948 . 14 1 1 A 83 83 ALA HA H 144 4.310 4.176 0.134 1
1 949 . 14 1 1 A 83 83 ALA H H 144 7.687 8.077 -0.390 1
1 950 . 14 1 1 A 83 83 ALA N N 144 122.048 122.082 -0.034 1
1 954 . 14 1 1 A 84 84 ARG CA C 145 58.842 59.449 -0.607 1
1 955 . 14 1 1 A 84 84 ARG CB C 145 30.415 30.130 0.285 1
1 958 . 14 1 1 A 84 84 ARG HA H 145 4.297 4.008 0.289 1
1 963 . 14 1 1 A 84 84 ARG H H 145 8.579 7.742 0.837 1
1 964 . 14 1 1 A 84 84 ARG N N 145 119.430 118.406 1.024 1
1 966 . 14 1 1 A 85 85 LEU CA C 146 57.861 57.915 -0.054 1
1 967 . 14 1 1 A 85 85 LEU CB C 146 41.584 41.438 0.146 1
1 971 . 14 1 1 A 85 85 LEU HA H 146 4.054 3.994 0.060 1
1 975 . 14 1 1 A 85 85 LEU H H 146 9.083 8.136 0.947 1
1 976 . 14 1 1 A 85 85 LEU N N 146 119.149 119.806 -0.657 1
1 983 . 14 1 1 A 86 86 ARG CA C 147 60.723 59.339 1.384 1
1 984 . 14 1 1 A 86 86 ARG CB C 147 29.549 29.780 -0.231 1
1 987 . 14 1 1 A 86 86 ARG HA H 147 3.774 3.974 -0.200 1
1 992 . 14 1 1 A 86 86 ARG H H 147 7.971 7.990 -0.019 1
1 993 . 14 1 1 A 86 86 ARG N N 147 118.395 120.885 -2.490 1
1 995 . 14 1 1 A 87 87 GLU CA C 148 59.392 58.904 0.488 1
1 996 . 14 1 1 A 87 87 GLU CB C 148 29.740 29.428 0.312 1
1 998 . 14 1 1 A 87 87 GLU HA H 148 4.120 4.099 0.021 1
1 1003 . 14 1 1 A 87 87 GLU H H 148 7.895 8.538 -0.643 1
1 1004 . 14 1 1 A 87 87 GLU N N 148 116.934 119.553 -2.619 1
1 1005 . 14 1 1 A 88 88 GLU CA C 149 58.455 58.577 -0.122 1
1 1006 . 14 1 1 A 88 88 GLU CB C 149 29.306 30.197 -0.891 1
1 1008 . 14 1 1 A 88 88 GLU HA H 149 4.279 4.236 0.043 1
1 1013 . 14 1 1 A 88 88 GLU H H 149 8.228 7.880 0.348 1
1 1014 . 14 1 1 A 88 88 GLU N N 149 116.458 118.847 -2.389 1
1 1015 . 14 1 1 A 89 89 LEU CA C 150 57.767 57.566 0.201 1
1 1016 . 14 1 1 A 89 89 LEU CB C 150 42.450 41.505 0.945 1
1 1020 . 14 1 1 A 89 89 LEU HA H 150 4.239 3.960 0.279 1
1 1024 . 14 1 1 A 89 89 LEU H H 150 8.401 8.166 0.235 1
1 1025 . 14 1 1 A 89 89 LEU N N 150 117.854 120.463 -2.609 1
1 1032 . 14 1 1 A 90 90 ASP CA C 151 56.503 54.251 2.252 1
1 1033 . 14 1 1 A 90 90 ASP CB C 151 42.435 40.755 1.680 1
1 1034 . 14 1 1 A 90 90 ASP HA H 151 5.034 4.621 0.413 1
1 1037 . 14 1 1 A 90 90 ASP H H 151 8.524 7.731 0.793 1
1 1038 . 14 1 1 A 90 90 ASP N N 151 118.978 118.926 0.052 1
1 1039 . 14 1 1 A 91 91 LYS CA C 152 58.455 56.994 1.461 1
1 1040 . 14 1 1 A 91 91 LYS CB C 152 33.021 34.391 -1.370 1
1 1044 . 14 1 1 A 91 91 LYS HA H 152 4.279 4.350 -0.071 1
1 1049 . 14 1 1 A 91 91 LYS H H 152 7.348 8.169 -0.821 1
1 1050 . 14 1 1 A 91 91 LYS N N 152 114.172 118.559 -4.387 1
1 1053 . 14 1 1 A 92 92 ILE CA C 153 61.448 62.548 -1.100 1
1 1054 . 14 1 1 A 92 92 ILE CB C 153 39.068 37.315 1.753 1
1 1058 . 14 1 1 A 92 92 ILE HA H 153 4.427 3.770 0.657 1
1 1062 . 14 1 1 A 92 92 ILE H H 153 7.597 7.481 0.116 1
1 1063 . 14 1 1 A 92 92 ILE N N 153 114.441 119.850 -5.409 1
1 1070 . 14 1 1 A 93 93 THR CA C 154 65.433 63.720 1.713 1
1 1071 . 14 1 1 A 93 93 THR CB C 154 67.799 69.470 -1.671 1
1 1073 . 14 1 1 A 93 93 THR HA H 154 3.879 4.019 -0.140 1
1 1075 . 14 1 1 A 93 93 THR H H 154 8.195 7.502 0.693 1
1 1076 . 14 1 1 A 93 93 THR N N 154 110.253 112.819 -2.566 1
1 1080 . 14 1 1 A 94 94 ASP CA C 155 57.822 57.552 0.270 1
1 1081 . 14 1 1 A 94 94 ASP CB C 155 41.397 41.603 -0.206 1
1 1082 . 14 1 1 A 94 94 ASP HA H 155 4.514 4.316 0.198 1
1 1085 . 14 1 1 A 94 94 ASP H H 155 8.474 8.137 0.337 1
1 1086 . 14 1 1 A 94 94 ASP N N 155 124.348 121.813 2.535 1
1 1087 . 14 1 1 A 95 95 ARG CA C 156 57.783 58.806 -1.023 1
1 1088 . 14 1 1 A 95 95 ARG CB C 156 29.386 30.194 -0.808 1
1 1091 . 14 1 1 A 95 95 ARG HA H 156 4.173 4.100 0.073 1
1 1096 . 14 1 1 A 95 95 ARG H H 156 7.680 8.399 -0.719 1
1 1097 . 14 1 1 A 95 95 ARG N N 156 117.839 116.927 0.912 1
1 1099 . 14 1 1 A 96 96 TRP CB C 157 29.856 29.858 -0.002 1
1 1105 . 14 1 1 A 96 96 TRP HA H 157 4.943 4.774 0.169 1
1 1112 . 14 1 1 A 96 96 TRP H H 157 7.880 7.651 0.229 1
1 1115 . 14 1 1 A 96 96 TRP N N 157 117.944 119.172 -1.228 1
1 1117 . 14 1 1 A 97 97 GLY CA C 158 46.688 46.188 0.500 1
1 1118 . 14 1 1 A 97 97 GLY HA2 H 158 4.411 4.036 0.375 1
1 1119 . 14 1 1 A 97 97 GLY HA3 H 158 4.249 4.062 0.187 1
1 1120 . 14 1 1 A 97 97 GLY H H 158 7.972 8.072 -0.100 1
1 1121 . 14 1 1 A 97 97 GLY N N 158 104.253 109.130 -4.877 1
1 1122 . 14 1 1 A 98 98 VAL CA C 159 60.417 61.159 -0.742 1
1 1123 . 14 1 1 A 98 98 VAL CB C 159 36.365 34.730 1.635 1
1 1126 . 14 1 1 A 98 98 VAL HA H 159 5.012 4.581 0.431 1
1 1128 . 14 1 1 A 98 98 VAL H H 159 7.468 7.966 -0.498 1
1 1129 . 14 1 1 A 98 98 VAL N N 159 115.979 121.399 -5.420 1
1 1136 . 14 1 1 A 99 99 LYS CA C 160 53.521 54.266 -0.745 1
1 1137 . 14 1 1 A 99 99 LYS CB C 160 36.083 36.275 -0.192 1
1 1141 . 14 1 1 A 99 99 LYS HA H 160 5.053 5.045 0.008 1
1 1148 . 14 1 1 A 99 99 LYS H H 160 9.259 8.581 0.678 1
1 1149 . 14 1 1 A 99 99 LYS N N 160 126.977 124.035 2.942 1
1 1151 . 14 1 1 A 100 100 ILE CB C 161 35.185 37.109 -1.924 1
1 1155 . 14 1 1 A 100 100 ILE HA H 161 4.896 4.445 0.451 1
1 1159 . 14 1 1 A 100 100 ILE H H 161 9.310 8.608 0.702 1
1 1160 . 14 1 1 A 100 100 ILE N N 161 127.468 123.681 3.787 1
1 1167 . 14 1 1 A 101 101 THR CA C 162 63.075 65.123 -2.048 1
1 1168 . 14 1 1 A 101 101 THR CB C 162 67.345 69.059 -1.714 1
1 1170 . 14 1 1 A 101 101 THR HA H 162 4.254 4.260 -0.006 1
1 1172 . 14 1 1 A 101 101 THR H H 162 8.783 8.796 -0.013 1
1 1173 . 14 1 1 A 101 101 THR N N 162 120.609 119.840 0.769 1
1 1177 . 14 1 1 A 102 102 ARG CA C 163 55.929 54.684 1.245 1
1 1178 . 14 1 1 A 102 102 ARG CB C 163 32.468 32.812 -0.344 1
1 1181 . 14 1 1 A 102 102 ARG HA H 163 4.606 4.704 -0.098 1
1 1188 . 14 1 1 A 102 102 ARG H H 163 7.669 7.702 -0.033 1
1 1189 . 14 1 1 A 102 102 ARG N N 163 118.258 118.364 -0.106 1
1 1190 . 14 1 1 A 103 103 VAL CB C 164 35.090 35.952 -0.862 1
1 1193 . 14 1 1 A 103 103 VAL HA H 164 4.886 4.758 0.128 1
1 1195 . 14 1 1 A 103 103 VAL H H 164 8.700 8.416 0.284 1
1 1196 . 14 1 1 A 103 103 VAL N N 164 122.135 119.349 2.786 1
1 1203 . 14 1 1 A 104 104 GLU CA C 165 54.469 54.381 0.088 1
1 1204 . 14 1 1 A 104 104 GLU CB C 165 33.028 34.172 -1.144 1
1 1206 . 14 1 1 A 104 104 GLU HA H 165 4.835 5.083 -0.248 1
1 1209 . 14 1 1 A 104 104 GLU H H 165 9.011 8.645 0.366 1
1 1210 . 14 1 1 A 104 104 GLU N N 165 123.789 125.112 -1.323 1
1 1212 . 14 1 1 A 105 105 ILE CA C 166 61.576 59.912 1.664 1
1 1213 . 14 1 1 A 105 105 ILE CB C 166 37.908 40.330 -2.422 1
1 1217 . 14 1 1 A 105 105 ILE HA H 166 4.525 4.730 -0.205 1
1 1219 . 14 1 1 A 105 105 ILE H H 166 9.869 8.908 0.961 1
1 1220 . 14 1 1 A 105 105 ILE N N 166 130.058 123.550 6.508 1
1 1229 . 14 1 1 A 106 106 GLN CA C 167 55.964 54.331 1.633 1
1 1230 . 14 1 1 A 106 106 GLN CB C 167 28.789 30.255 -1.466 1
1 1232 . 14 1 1 A 106 106 GLN HA H 167 4.661 4.598 0.063 1
1 1239 . 14 1 1 A 106 106 GLN H H 167 8.573 8.675 -0.102 1
1 1240 . 14 1 1 A 106 106 GLN N N 167 127.576 124.849 2.727 1
1 1242 . 14 1 1 A 107 107 ARG CA C 168 56.113 56.765 -0.652 1
1 1243 . 14 1 1 A 107 107 ARG CB C 168 32.098 30.932 1.166 1
1 1246 . 14 1 1 A 107 107 ARG HA H 168 4.468 4.290 0.178 1
1 1251 . 14 1 1 A 107 107 ARG H H 168 8.762 8.175 0.587 1
1 1252 . 14 1 1 A 107 107 ARG N N 168 122.725 121.952 0.773 1
1 1254 . 14 1 1 A 108 108 ILE CA C 169 61.618 59.901 1.717 1
1 1255 . 14 1 1 A 108 108 ILE CB C 169 39.583 39.330 0.253 1
1 1259 . 14 1 1 A 108 108 ILE HA H 169 4.451 4.598 -0.147 1
1 1263 . 14 1 1 A 108 108 ILE H H 169 7.996 8.421 -0.425 1
1 1264 . 14 1 1 A 108 108 ILE N N 169 120.383 125.261 -4.878 1
1 1271 . 14 1 1 A 109 109 ASP CA C 170 51.571 50.535 1.036 1
1 1272 . 14 1 1 A 109 109 ASP CB C 170 42.763 44.367 -1.604 1
1 1273 . 14 1 1 A 109 109 ASP HA H 170 5.579 5.137 0.442 1
1 1276 . 14 1 1 A 109 109 ASP H H 170 9.067 8.145 0.922 1
1 1277 . 14 1 1 A 109 109 ASP N N 170 126.604 125.659 0.945 1
1 1278 . 14 1 1 A 110 110 PRO CA C 171 61.302 61.468 -0.166 1
1 1279 . 14 1 1 A 110 110 PRO CB C 171 30.857 31.498 -0.641 1
1 1282 . 14 1 1 A 110 110 PRO HA H 171 5.081 4.724 0.357 1
1 1288 . 14 1 1 A 111 111 PRO CA C 172 63.367 62.523 0.844 1
1 1289 . 14 1 1 A 111 111 PRO CB C 172 32.050 32.344 -0.294 1
1 1292 . 14 1 1 A 111 111 PRO HA H 172 4.568 4.643 -0.075 1
1 1298 . 14 1 1 A 112 112 LYS CA C 173 55.951 59.576 -3.625 1
1 1299 . 14 1 1 A 112 112 LYS CB C 173 33.412 32.661 0.751 1
1 1303 . 14 1 1 A 112 112 LYS HA H 173 4.465 4.131 0.334 1
1 1306 . 14 1 1 A 112 112 LYS H H 173 8.533 8.676 -0.143 1
1 1307 . 14 1 1 A 112 112 LYS N N 173 122.499 122.132 0.367 1
1 1 . 15 1 1 A 2 2 SER HA H 63 4.660 4.551 0.109 1
1 4 . 15 1 1 A 2 2 SER CB C 63 63.645 64.381 -0.736 1
1 5 . 15 1 1 A 3 3 ASP HA H 64 4.688 4.284 0.404 1
1 8 . 15 1 1 A 3 3 ASP H H 64 8.603 8.161 0.442 1
1 9 . 15 1 1 A 3 3 ASP CA C 64 54.354 55.004 -0.650 1
1 10 . 15 1 1 A 3 3 ASP CB C 64 40.980 39.549 1.431 1
1 11 . 15 1 1 A 3 3 ASP N N 64 122.069 120.534 1.535 1
1 12 . 15 1 1 A 4 4 HIS HA H 65 4.735 5.221 -0.486 1
1 17 . 15 1 1 A 4 4 HIS H H 65 8.354 7.852 0.502 1
1 18 . 15 1 1 A 4 4 HIS CA C 65 56.220 53.485 2.735 1
1 19 . 15 1 1 A 4 4 HIS CB C 65 30.570 31.716 -1.146 1
1 22 . 15 1 1 A 4 4 HIS N N 65 119.219 117.233 1.986 1
1 29 . 15 1 1 A 5 5 VAL HA H 66 4.183 4.958 -0.775 1
1 31 . 15 1 1 A 5 5 VAL H H 66 8.073 8.901 -0.828 1
1 32 . 15 1 1 A 5 5 VAL CA C 66 62.127 60.049 2.078 1
1 33 . 15 1 1 A 5 5 VAL CB C 66 32.960 35.636 -2.676 1
1 36 . 15 1 1 A 5 5 VAL N N 66 121.775 121.518 0.257 1
1 37 . 15 1 1 A 6 6 ASP CA C 67 53.727 53.094 0.633 1
1 38 . 15 1 1 A 6 6 ASP CB C 67 41.472 44.533 -3.061 1
1 39 . 15 1 1 A 6 6 ASP HA H 67 4.771 5.187 -0.416 1
1 42 . 15 1 1 A 6 6 ASP H H 67 8.615 8.694 -0.079 1
1 43 . 15 1 1 A 6 6 ASP N N 67 124.725 123.665 1.060 1
1 44 . 15 1 1 A 7 7 LEU CA C 68 54.586 57.814 -3.228 1
1 45 . 15 1 1 A 7 7 LEU CB C 68 41.657 41.538 0.119 1
1 49 . 15 1 1 A 7 7 LEU HA H 68 4.556 3.975 0.581 1
1 53 . 15 1 1 A 7 7 LEU H H 68 8.441 8.778 -0.337 1
1 54 . 15 1 1 A 7 7 LEU N N 68 123.747 124.575 -0.828 1
1 61 . 15 1 1 A 8 8 ARG CA C 69 56.247 56.945 -0.698 1
1 62 . 15 1 1 A 8 8 ARG CB C 69 30.828 30.401 0.427 1
1 65 . 15 1 1 A 8 8 ARG HA H 69 4.253 4.128 0.125 1
1 70 . 15 1 1 A 8 8 ARG H H 69 8.209 7.543 0.666 1
1 71 . 15 1 1 A 8 8 ARG N N 69 121.063 119.553 1.510 1
1 73 . 15 1 1 A 9 9 GLU CA C 70 55.691 55.900 -0.209 1
1 74 . 15 1 1 A 9 9 GLU CB C 70 31.777 30.138 1.639 1
1 76 . 15 1 1 A 9 9 GLU HA H 70 4.655 4.121 0.534 1
1 79 . 15 1 1 A 9 9 GLU H H 70 8.338 8.504 -0.166 1
1 80 . 15 1 1 A 9 9 GLU N N 70 121.677 123.096 -1.419 1
1 82 . 15 1 1 A 10 10 HIS CA C 71 54.619 54.297 0.322 1
1 83 . 15 1 1 A 10 10 HIS CB C 71 32.189 31.512 0.677 1
1 86 . 15 1 1 A 10 10 HIS HA H 71 4.716 4.851 -0.135 1
1 91 . 15 1 1 A 10 10 HIS H H 71 9.043 8.681 0.362 1
1 92 . 15 1 1 A 10 10 HIS N N 71 125.575 120.446 5.129 1
1 93 . 15 1 1 A 11 11 VAL CA C 72 60.567 60.505 0.062 1
1 94 . 15 1 1 A 11 11 VAL CB C 72 35.380 33.302 2.078 1
1 97 . 15 1 1 A 11 11 VAL HA H 72 4.951 4.875 0.076 1
1 99 . 15 1 1 A 11 11 VAL H H 72 8.218 8.712 -0.494 1
1 100 . 15 1 1 A 11 11 VAL N N 72 117.348 118.706 -1.358 1
1 107 . 15 1 1 A 12 12 ILE CA C 73 59.857 60.386 -0.529 1
1 108 . 15 1 1 A 12 12 ILE CB C 73 41.969 40.007 1.962 1
1 112 . 15 1 1 A 12 12 ILE HA H 73 4.464 4.781 -0.317 1
1 116 . 15 1 1 A 12 12 ILE H H 73 9.272 9.011 0.261 1
1 117 . 15 1 1 A 12 12 ILE N N 73 126.908 123.002 3.906 1
1 124 . 15 1 1 A 13 13 ASP CB C 74 41.534 41.435 0.099 1
1 125 . 15 1 1 A 13 13 ASP HA H 74 4.885 5.059 -0.174 1
1 128 . 15 1 1 A 13 13 ASP H H 74 8.501 8.919 -0.418 1
1 129 . 15 1 1 A 13 13 ASP N N 74 126.253 128.593 -2.340 1
1 130 . 15 1 1 A 14 14 VAL CA C 75 59.550 58.426 1.124 1
1 131 . 15 1 1 A 14 14 VAL CB C 75 32.270 34.478 -2.208 1
1 134 . 15 1 1 A 14 14 VAL HA H 75 4.491 4.831 -0.340 1
1 136 . 15 1 1 A 14 14 VAL H H 75 8.758 8.885 -0.127 1
1 137 . 15 1 1 A 14 14 VAL N N 75 124.997 123.775 1.222 1
1 144 . 15 1 1 A 15 15 PRO CB C 76 30.981 31.695 -0.714 1
1 147 . 15 1 1 A 15 15 PRO HA H 76 4.837 4.720 0.117 1
1 153 . 15 1 1 A 16 16 PRO CB C 77 32.267 33.096 -0.829 1
1 156 . 15 1 1 A 16 16 PRO HA H 77 4.881 4.787 0.094 1
1 162 . 15 1 1 A 17 17 GLN CA C 78 53.332 55.099 -1.767 1
1 163 . 15 1 1 A 17 17 GLN CB C 78 33.352 31.980 1.372 1
1 165 . 15 1 1 A 17 17 GLN HA H 78 4.768 4.565 0.203 1
1 170 . 15 1 1 A 17 17 GLN H H 78 8.612 8.365 0.247 1
1 171 . 15 1 1 A 17 17 GLN N N 78 119.550 121.595 -2.045 1
1 175 . 15 1 1 A 18 18 GLU CA C 79 55.955 56.502 -0.547 1
1 176 . 15 1 1 A 18 18 GLU CB C 79 30.087 30.154 -0.067 1
1 178 . 15 1 1 A 18 18 GLU HA H 79 5.070 4.599 0.471 1
1 183 . 15 1 1 A 18 18 GLU H H 79 8.626 8.786 -0.160 1
1 184 . 15 1 1 A 18 18 GLU N N 79 123.226 126.959 -3.733 1
1 185 . 15 1 1 A 19 19 VAL CA C 80 60.191 60.721 -0.530 1
1 186 . 15 1 1 A 19 19 VAL CB C 80 34.901 35.577 -0.676 1
1 189 . 15 1 1 A 19 19 VAL HA H 80 4.562 4.597 -0.035 1
1 191 . 15 1 1 A 19 19 VAL H H 80 9.568 8.125 1.443 1
1 192 . 15 1 1 A 19 19 VAL N N 80 123.365 124.681 -1.316 1
1 199 . 15 1 1 A 20 20 ILE CA C 81 60.810 61.487 -0.677 1
1 200 . 15 1 1 A 20 20 ILE CB C 81 39.198 37.205 1.993 1
1 204 . 15 1 1 A 20 20 ILE HA H 81 4.678 4.039 0.639 1
1 208 . 15 1 1 A 20 20 ILE H H 81 8.048 8.776 -0.728 1
1 209 . 15 1 1 A 20 20 ILE N N 81 122.564 127.941 -5.377 1
1 216 . 15 1 1 A 21 21 CYS CB C 82 29.386 28.737 0.649 1
1 217 . 15 1 1 A 21 21 CYS HA H 82 4.932 4.577 0.355 1
1 220 . 15 1 1 A 21 21 CYS H H 82 8.796 8.952 -0.156 1
1 221 . 15 1 1 A 21 21 CYS N N 82 125.960 126.912 -0.952 1
1 222 . 15 1 1 A 22 22 LYS CA C 83 59.330 59.368 -0.038 1
1 223 . 15 1 1 A 22 22 LYS CB C 83 33.478 32.272 1.206 1
1 227 . 15 1 1 A 22 22 LYS HA H 83 4.096 4.025 0.071 1
1 234 . 15 1 1 A 22 22 LYS H H 83 8.735 8.627 0.108 1
1 235 . 15 1 1 A 22 22 LYS N N 83 123.785 124.941 -1.156 1
1 237 . 15 1 1 A 23 23 ASP CA C 84 53.011 53.203 -0.192 1
1 238 . 15 1 1 A 23 23 ASP CB C 84 38.642 40.678 -2.036 1
1 239 . 15 1 1 A 23 23 ASP HA H 84 4.694 4.767 -0.073 1
1 242 . 15 1 1 A 23 23 ASP H H 84 8.667 7.679 0.988 1
1 243 . 15 1 1 A 23 23 ASP N N 84 112.676 117.943 -5.267 1
1 244 . 15 1 1 A 24 24 ASN CA C 85 54.989 54.550 0.439 1
1 245 . 15 1 1 A 24 24 ASN CB C 85 36.698 36.684 0.014 1
1 246 . 15 1 1 A 24 24 ASN HA H 85 4.321 4.270 0.051 1
1 251 . 15 1 1 A 24 24 ASN H H 85 8.264 7.643 0.621 1
1 252 . 15 1 1 A 24 24 ASN N N 85 112.321 113.606 -1.285 1
1 254 . 15 1 1 A 25 25 VAL CA C 86 61.920 61.285 0.635 1
1 255 . 15 1 1 A 25 25 VAL CB C 86 33.581 32.981 0.600 1
1 258 . 15 1 1 A 25 25 VAL HA H 86 4.247 4.354 -0.107 1
1 260 . 15 1 1 A 25 25 VAL H H 86 6.817 7.665 -0.848 1
1 261 . 15 1 1 A 25 25 VAL N N 86 117.663 118.981 -1.318 1
1 268 . 15 1 1 A 26 26 VAL CA C 87 62.127 61.901 0.226 1
1 269 . 15 1 1 A 26 26 VAL CB C 87 32.468 32.114 0.354 1
1 272 . 15 1 1 A 26 26 VAL HA H 87 4.710 4.472 0.238 1
1 274 . 15 1 1 A 26 26 VAL H H 87 8.467 8.701 -0.234 1
1 275 . 15 1 1 A 26 26 VAL N N 87 128.149 129.132 -0.983 1
1 282 . 15 1 1 A 27 27 VAL CA C 88 58.409 59.337 -0.928 1
1 283 . 15 1 1 A 27 27 VAL CB C 88 34.991 35.890 -0.899 1
1 286 . 15 1 1 A 27 27 VAL HA H 88 4.995 4.868 0.127 1
1 288 . 15 1 1 A 27 27 VAL H H 88 8.983 8.798 0.185 1
1 289 . 15 1 1 A 27 27 VAL N N 88 119.421 122.574 -3.153 1
1 296 . 15 1 1 A 28 28 THR CA C 89 62.180 62.535 -0.355 1
1 297 . 15 1 1 A 28 28 THR CB C 89 69.351 69.318 0.033 1
1 299 . 15 1 1 A 28 28 THR HA H 89 5.249 4.726 0.523 1
1 301 . 15 1 1 A 28 28 THR H H 89 8.544 8.746 -0.202 1
1 302 . 15 1 1 A 28 28 THR N N 89 118.810 119.745 -0.935 1
1 306 . 15 1 1 A 29 29 VAL CA C 90 58.826 59.402 -0.576 1
1 307 . 15 1 1 A 29 29 VAL CB C 90 36.035 34.822 1.213 1
1 310 . 15 1 1 A 29 29 VAL HA H 90 5.527 5.127 0.400 1
1 312 . 15 1 1 A 29 29 VAL H H 90 8.818 9.028 -0.210 1
1 313 . 15 1 1 A 29 29 VAL N N 90 123.670 122.491 1.179 1
1 320 . 15 1 1 A 30 30 ASP CA C 91 52.821 54.332 -1.511 1
1 321 . 15 1 1 A 30 30 ASP CB C 91 42.960 44.855 -1.895 1
1 322 . 15 1 1 A 30 30 ASP HA H 91 4.785 5.242 -0.457 1
1 325 . 15 1 1 A 30 30 ASP H H 91 8.478 8.735 -0.257 1
1 326 . 15 1 1 A 30 30 ASP N N 91 125.411 121.045 4.366 1
1 327 . 15 1 1 A 31 31 ALA CA C 92 51.718 51.179 0.539 1
1 328 . 15 1 1 A 31 31 ALA CB C 92 22.216 23.474 -1.258 1
1 329 . 15 1 1 A 31 31 ALA HA H 92 5.268 4.944 0.324 1
1 330 . 15 1 1 A 31 31 ALA H H 92 8.075 8.379 -0.304 1
1 331 . 15 1 1 A 31 31 ALA N N 92 116.806 124.716 -7.910 1
1 335 . 15 1 1 A 32 32 VAL CB C 93 34.772 33.838 0.934 1
1 338 . 15 1 1 A 32 32 VAL HA H 93 4.901 4.968 -0.067 1
1 340 . 15 1 1 A 32 32 VAL H H 93 8.306 8.387 -0.081 1
1 341 . 15 1 1 A 32 32 VAL N N 93 117.482 115.419 2.063 1
1 348 . 15 1 1 A 33 33 VAL CA C 94 61.058 61.098 -0.040 1
1 349 . 15 1 1 A 33 33 VAL CB C 94 34.773 35.404 -0.631 1
1 352 . 15 1 1 A 33 33 VAL HA H 94 4.515 4.854 -0.339 1
1 354 . 15 1 1 A 33 33 VAL H H 94 8.873 8.703 0.170 1
1 355 . 15 1 1 A 33 33 VAL N N 94 124.653 121.769 2.884 1
1 362 . 15 1 1 A 34 34 TYR CA C 95 56.333 57.743 -1.410 1
1 363 . 15 1 1 A 34 34 TYR CB C 95 40.336 40.860 -0.524 1
1 366 . 15 1 1 A 34 34 TYR HA H 95 5.834 5.644 0.190 1
1 371 . 15 1 1 A 34 34 TYR H H 95 8.989 8.702 0.287 1
1 372 . 15 1 1 A 34 34 TYR N N 95 126.081 126.945 -0.864 1
1 375 . 15 1 1 A 35 35 TYR CA C 96 55.679 56.581 -0.902 1
1 376 . 15 1 1 A 35 35 TYR CB C 96 42.824 41.041 1.783 1
1 379 . 15 1 1 A 35 35 TYR HA H 96 6.097 5.514 0.583 1
1 384 . 15 1 1 A 35 35 TYR H H 96 9.102 8.483 0.619 1
1 385 . 15 1 1 A 35 35 TYR N N 96 117.188 118.859 -1.671 1
1 388 . 15 1 1 A 36 36 GLN CB C 97 33.643 31.977 1.666 1
1 390 . 15 1 1 A 36 36 GLN HA H 97 4.942 4.864 0.078 1
1 395 . 15 1 1 A 36 36 GLN H H 97 9.441 8.503 0.938 1
1 396 . 15 1 1 A 36 36 GLN N N 97 118.000 119.453 -1.453 1
1 399 . 15 1 1 A 37 37 VAL CA C 98 63.621 63.635 -0.014 1
1 400 . 15 1 1 A 37 37 VAL CB C 98 31.380 31.686 -0.306 1
1 403 . 15 1 1 A 37 37 VAL HA H 98 4.286 4.058 0.228 1
1 405 . 15 1 1 A 37 37 VAL H H 98 9.692 8.984 0.708 1
1 406 . 15 1 1 A 37 37 VAL N N 98 126.436 123.784 2.652 1
1 413 . 15 1 1 A 38 38 ILE CA C 99 61.011 61.081 -0.070 1
1 414 . 15 1 1 A 38 38 ILE CB C 99 38.943 39.534 -0.591 1
1 418 . 15 1 1 A 38 38 ILE HA H 99 4.514 4.487 0.027 1
1 422 . 15 1 1 A 38 38 ILE H H 99 8.540 8.647 -0.107 1
1 423 . 15 1 1 A 38 38 ILE N N 99 123.480 122.216 1.264 1
1 430 . 15 1 1 A 39 39 ASP CA C 100 50.850 50.562 0.288 1
1 431 . 15 1 1 A 39 39 ASP CB C 100 41.979 42.080 -0.101 1
1 432 . 15 1 1 A 39 39 ASP HA H 100 5.326 4.979 0.347 1
1 435 . 15 1 1 A 39 39 ASP H H 100 8.135 7.793 0.342 1
1 436 . 15 1 1 A 39 39 ASP N N 100 119.056 122.782 -3.726 1
1 437 . 15 1 1 A 40 40 PRO CA C 101 64.279 65.538 -1.259 1
1 438 . 15 1 1 A 40 40 PRO CB C 101 32.510 31.925 0.585 1
1 441 . 15 1 1 A 40 40 PRO HA H 101 4.299 4.242 0.057 1
1 448 . 15 1 1 A 41 41 VAL CA C 102 65.120 65.547 -0.427 1
1 449 . 15 1 1 A 41 41 VAL CB C 102 31.406 31.731 -0.325 1
1 452 . 15 1 1 A 41 41 VAL HA H 102 3.886 3.883 0.003 1
1 454 . 15 1 1 A 41 41 VAL H H 102 7.936 8.464 -0.528 1
1 455 . 15 1 1 A 41 41 VAL N N 102 118.168 115.973 2.195 1
1 462 . 15 1 1 A 42 42 LYS CA C 103 57.852 58.397 -0.545 1
1 463 . 15 1 1 A 42 42 LYS CB C 103 33.597 33.427 0.170 1
1 467 . 15 1 1 A 42 42 LYS HA H 103 4.242 4.378 -0.136 1
1 472 . 15 1 1 A 42 42 LYS H H 103 7.240 8.095 -0.855 1
1 473 . 15 1 1 A 42 42 LYS N N 103 118.280 121.127 -2.847 1
1 476 . 15 1 1 A 43 43 ALA CA C 104 53.615 51.906 1.709 1
1 477 . 15 1 1 A 43 43 ALA CB C 104 18.578 18.618 -0.040 1
1 478 . 15 1 1 A 43 43 ALA HA H 104 4.632 4.375 0.257 1
1 479 . 15 1 1 A 43 43 ALA H H 104 7.702 7.711 -0.009 1
1 480 . 15 1 1 A 43 43 ALA N N 104 122.122 120.653 1.469 1
1 484 . 15 1 1 A 44 44 VAL CA C 105 62.530 61.704 0.826 1
1 485 . 15 1 1 A 44 44 VAL CB C 105 31.680 31.061 0.619 1
1 488 . 15 1 1 A 44 44 VAL HA H 105 4.197 4.173 0.024 1
1 490 . 15 1 1 A 44 44 VAL H H 105 7.682 7.755 -0.073 1
1 491 . 15 1 1 A 44 44 VAL N N 105 115.037 119.033 -3.996 1
1 498 . 15 1 1 A 45 45 TYR CA C 106 57.222 56.872 0.350 1
1 499 . 15 1 1 A 45 45 TYR CB C 106 38.651 37.753 0.898 1
1 502 . 15 1 1 A 45 45 TYR HA H 106 4.652 4.809 -0.157 1
1 505 . 15 1 1 A 45 45 TYR H H 106 7.436 7.478 -0.042 1
1 506 . 15 1 1 A 45 45 TYR N N 106 118.804 120.625 -1.821 1
1 510 . 15 1 1 A 46 46 ASN CB C 107 39.028 36.775 2.253 1
1 511 . 15 1 1 A 46 46 ASN HA H 107 4.959 4.285 0.674 1
1 516 . 15 1 1 A 46 46 ASN H H 107 8.614 8.101 0.513 1
1 517 . 15 1 1 A 46 46 ASN N N 107 118.495 113.549 4.946 1
1 519 . 15 1 1 A 47 47 VAL CA C 108 65.178 63.299 1.879 1
1 520 . 15 1 1 A 47 47 VAL CB C 108 32.022 29.869 2.153 1
1 523 . 15 1 1 A 47 47 VAL HA H 108 3.952 3.673 0.279 1
1 525 . 15 1 1 A 47 47 VAL H H 108 8.342 7.896 0.446 1
1 526 . 15 1 1 A 47 47 VAL N N 108 123.377 110.193 13.184 1
1 533 . 15 1 1 A 48 48 SER CA C 109 61.473 61.724 -0.251 1
1 534 . 15 1 1 A 48 48 SER CB C 109 62.248 63.759 -1.511 1
1 535 . 15 1 1 A 48 48 SER HA H 109 4.298 4.353 -0.055 1
1 536 . 15 1 1 A 48 48 SER H H 109 8.353 8.212 0.141 1
1 537 . 15 1 1 A 48 48 SER N N 109 116.439 116.137 0.302 1
1 539 . 15 1 1 A 49 49 ASP CA C 110 56.211 57.125 -0.914 1
1 540 . 15 1 1 A 49 49 ASP CB C 110 40.691 39.966 0.725 1
1 541 . 15 1 1 A 49 49 ASP HA H 110 4.534 4.120 0.414 1
1 542 . 15 1 1 A 49 49 ASP H H 110 7.832 8.287 -0.455 1
1 543 . 15 1 1 A 49 49 ASP N N 110 121.141 122.102 -0.961 1
1 545 . 15 1 1 A 50 50 PHE CA C 111 60.009 61.224 -1.215 1
1 546 . 15 1 1 A 50 50 PHE CB C 111 38.598 39.510 -0.912 1
1 550 . 15 1 1 A 50 50 PHE HA H 111 3.486 4.150 -0.664 1
1 555 . 15 1 1 A 50 50 PHE H H 111 8.044 8.095 -0.051 1
1 557 . 15 1 1 A 50 50 PHE N N 111 122.621 121.822 0.799 1
1 560 . 15 1 1 A 51 51 LEU CA C 112 58.009 58.236 -0.227 1
1 561 . 15 1 1 A 51 51 LEU CB C 112 41.213 41.963 -0.750 1
1 565 . 15 1 1 A 51 51 LEU HA H 112 3.546 3.643 -0.097 1
1 569 . 15 1 1 A 51 51 LEU H H 112 8.046 8.454 -0.408 1
1 570 . 15 1 1 A 51 51 LEU N N 112 119.691 120.367 -0.676 1
1 577 . 15 1 1 A 52 52 MET CA C 113 57.696 58.329 -0.633 1
1 578 . 15 1 1 A 52 52 MET CB C 113 32.289 32.239 0.050 1
1 581 . 15 1 1 A 52 52 MET HA H 113 4.231 4.135 0.096 1
1 586 . 15 1 1 A 52 52 MET H H 113 7.563 8.290 -0.727 1
1 587 . 15 1 1 A 52 52 MET N N 113 115.770 117.163 -1.393 1
1 591 . 15 1 1 A 53 53 ALA CA C 114 54.815 55.114 -0.299 1
1 592 . 15 1 1 A 53 53 ALA CB C 114 18.369 18.488 -0.119 1
1 593 . 15 1 1 A 53 53 ALA HA H 114 4.199 4.048 0.151 1
1 594 . 15 1 1 A 53 53 ALA H H 114 7.878 8.420 -0.542 1
1 595 . 15 1 1 A 53 53 ALA N N 114 121.804 122.221 -0.417 1
1 599 . 15 1 1 A 54 54 ILE CA C 115 63.259 64.904 -1.645 1
1 600 . 15 1 1 A 54 54 ILE CB C 115 36.127 37.436 -1.309 1
1 604 . 15 1 1 A 54 54 ILE HA H 115 3.767 3.582 0.185 1
1 608 . 15 1 1 A 54 54 ILE H H 115 8.202 8.236 -0.034 1
1 609 . 15 1 1 A 54 54 ILE N N 115 118.054 118.177 -0.123 1
1 616 . 15 1 1 A 55 55 VAL CA C 116 68.036 66.464 1.572 1
1 617 . 15 1 1 A 55 55 VAL CB C 116 31.463 31.507 -0.044 1
1 620 . 15 1 1 A 55 55 VAL HA H 116 3.509 3.605 -0.096 1
1 622 . 15 1 1 A 55 55 VAL H H 116 7.961 7.608 0.353 1
1 623 . 15 1 1 A 55 55 VAL N N 116 121.095 119.778 1.317 1
1 630 . 15 1 1 A 56 56 LYS CA C 117 59.077 59.024 0.053 1
1 631 . 15 1 1 A 56 56 LYS CB C 117 31.997 32.606 -0.609 1
1 635 . 15 1 1 A 56 56 LYS HA H 117 4.297 4.139 0.158 1
1 638 . 15 1 1 A 56 56 LYS H H 117 8.000 7.758 0.242 1
1 639 . 15 1 1 A 56 56 LYS N N 117 118.806 119.242 -0.436 1
1 643 . 15 1 1 A 57 57 LEU CA C 118 57.515 58.076 -0.561 1
1 644 . 15 1 1 A 57 57 LEU CB C 118 42.727 41.590 1.137 1
1 648 . 15 1 1 A 57 57 LEU HA H 118 4.286 3.908 0.378 1
1 652 . 15 1 1 A 57 57 LEU H H 118 8.390 8.473 -0.083 1
1 653 . 15 1 1 A 57 57 LEU N N 118 120.738 120.543 0.195 1
1 660 . 15 1 1 A 58 58 ALA CA C 119 55.695 55.523 0.172 1
1 661 . 15 1 1 A 58 58 ALA CB C 119 17.984 18.454 -0.470 1
1 662 . 15 1 1 A 58 58 ALA HA H 119 4.131 4.025 0.106 1
1 663 . 15 1 1 A 58 58 ALA H H 119 9.213 8.496 0.717 1
1 664 . 15 1 1 A 58 58 ALA N N 119 123.641 120.089 3.552 1
1 668 . 15 1 1 A 59 59 GLN CA C 120 60.234 59.138 1.096 1
1 669 . 15 1 1 A 59 59 GLN CB C 120 28.353 28.188 0.165 1
1 671 . 15 1 1 A 59 59 GLN HA H 120 3.972 3.951 0.021 1
1 678 . 15 1 1 A 59 59 GLN H H 120 8.649 8.229 0.420 1
1 679 . 15 1 1 A 59 59 GLN N N 120 116.453 117.333 -0.880 1
1 681 . 15 1 1 A 60 60 THR CA C 121 66.360 66.991 -0.631 1
1 682 . 15 1 1 A 60 60 THR CB C 121 68.868 68.863 0.005 1
1 684 . 15 1 1 A 60 60 THR HA H 121 4.076 3.972 0.104 1
1 686 . 15 1 1 A 60 60 THR H H 121 8.566 8.138 0.428 1
1 687 . 15 1 1 A 60 60 THR N N 121 115.479 117.162 -1.683 1
1 691 . 15 1 1 A 61 61 ASN CA C 122 57.397 56.069 1.328 1
1 692 . 15 1 1 A 61 61 ASN CB C 122 39.535 38.439 1.096 1
1 693 . 15 1 1 A 61 61 ASN HA H 122 4.626 4.391 0.235 1
1 698 . 15 1 1 A 61 61 ASN H H 122 8.433 8.319 0.114 1
1 699 . 15 1 1 A 61 61 ASN N N 122 120.652 119.372 1.280 1
1 701 . 15 1 1 A 62 62 LEU CA C 123 58.804 58.257 0.547 1
1 702 . 15 1 1 A 62 62 LEU CB C 123 42.331 41.785 0.546 1
1 706 . 15 1 1 A 62 62 LEU HA H 123 4.068 3.965 0.103 1
1 710 . 15 1 1 A 62 62 LEU H H 123 8.837 8.358 0.479 1
1 711 . 15 1 1 A 62 62 LEU N N 123 121.425 117.389 4.036 1
1 718 . 15 1 1 A 63 63 ARG CA C 124 59.647 59.370 0.277 1
1 719 . 15 1 1 A 63 63 ARG CB C 124 30.112 30.082 0.030 1
1 722 . 15 1 1 A 63 63 ARG HA H 124 4.030 3.967 0.063 1
1 727 . 15 1 1 A 63 63 ARG H H 124 7.502 7.921 -0.419 1
1 728 . 15 1 1 A 63 63 ARG N N 124 116.156 119.701 -3.545 1
1 730 . 15 1 1 A 64 64 ALA CA C 125 54.793 54.962 -0.169 1
1 731 . 15 1 1 A 64 64 ALA CB C 125 18.471 18.822 -0.351 1
1 732 . 15 1 1 A 64 64 ALA HA H 125 4.260 4.033 0.227 1
1 733 . 15 1 1 A 64 64 ALA H H 125 7.637 7.981 -0.344 1
1 734 . 15 1 1 A 64 64 ALA N N 125 121.808 121.636 0.172 1
1 738 . 15 1 1 A 65 65 ILE CA C 126 64.917 64.957 -0.040 1
1 739 . 15 1 1 A 65 65 ILE CB C 126 39.599 37.752 1.847 1
1 743 . 15 1 1 A 65 65 ILE HA H 126 3.745 3.736 0.009 1
1 747 . 15 1 1 A 65 65 ILE H H 126 8.476 7.352 1.124 1
1 748 . 15 1 1 A 65 65 ILE N N 126 117.948 117.880 0.068 1
1 755 . 15 1 1 A 66 66 ILE CA C 127 64.704 64.819 -0.115 1
1 756 . 15 1 1 A 66 66 ILE CB C 127 37.188 37.627 -0.439 1
1 760 . 15 1 1 A 66 66 ILE HA H 127 3.826 3.742 0.084 1
1 764 . 15 1 1 A 66 66 ILE H H 127 8.130 8.178 -0.048 1
1 765 . 15 1 1 A 66 66 ILE N N 127 118.919 119.728 -0.809 1
1 772 . 15 1 1 A 67 67 GLY CA C 128 46.401 46.884 -0.483 1
1 773 . 15 1 1 A 67 67 GLY HA2 H 128 4.437 3.980 0.457 1
1 774 . 15 1 1 A 67 67 GLY HA3 H 128 3.925 3.981 -0.056 1
1 775 . 15 1 1 A 67 67 GLY H H 128 7.683 7.723 -0.040 1
1 776 . 15 1 1 A 67 67 GLY N N 128 104.485 109.064 -4.579 1
1 777 . 15 1 1 A 68 68 GLU CA C 129 55.446 55.224 0.222 1
1 778 . 15 1 1 A 68 68 GLU CB C 129 30.672 31.425 -0.753 1
1 780 . 15 1 1 A 68 68 GLU HA H 129 4.589 4.909 -0.320 1
1 785 . 15 1 1 A 68 68 GLU H H 129 7.111 8.209 -1.098 1
1 786 . 15 1 1 A 68 68 GLU N N 129 115.084 116.587 -1.503 1
1 787 . 15 1 1 A 69 69 MET CA C 130 55.238 54.558 0.680 1
1 788 . 15 1 1 A 69 69 MET CB C 130 36.559 36.559 0.000 1
1 791 . 15 1 1 A 69 69 MET HA H 130 4.763 4.891 -0.128 1
1 796 . 15 1 1 A 69 69 MET H H 130 8.414 8.648 -0.234 1
1 797 . 15 1 1 A 69 69 MET N N 130 121.732 121.651 0.081 1
1 801 . 15 1 1 A 70 70 GLU CA C 131 56.474 54.687 1.787 1
1 802 . 15 1 1 A 70 70 GLU CB C 131 30.686 32.280 -1.594 1
1 804 . 15 1 1 A 70 70 GLU HA H 131 4.354 4.927 -0.573 1
1 809 . 15 1 1 A 70 70 GLU H H 131 9.395 8.634 0.761 1
1 810 . 15 1 1 A 70 70 GLU N N 131 122.754 119.774 2.980 1
1 811 . 15 1 1 A 71 71 LEU CA C 132 59.955 58.452 1.503 1
1 812 . 15 1 1 A 71 71 LEU CB C 132 40.900 41.991 -1.091 1
1 816 . 15 1 1 A 71 71 LEU HA H 132 4.454 3.961 0.493 1
1 820 . 15 1 1 A 71 71 LEU H H 132 10.320 8.810 1.510 1
1 821 . 15 1 1 A 71 71 LEU N N 132 127.791 128.643 -0.852 1
1 828 . 15 1 1 A 72 72 ASP CA C 133 57.961 56.378 1.583 1
1 829 . 15 1 1 A 72 72 ASP CB C 133 40.031 40.963 -0.932 1
1 830 . 15 1 1 A 72 72 ASP HA H 133 4.452 4.432 0.020 1
1 831 . 15 1 1 A 72 72 ASP H H 133 9.283 7.858 1.425 1
1 832 . 15 1 1 A 72 72 ASP N N 133 117.573 118.578 -1.005 1
1 834 . 15 1 1 A 73 73 GLU CA C 134 58.070 59.438 -1.368 1
1 835 . 15 1 1 A 73 73 GLU CB C 134 30.329 29.522 0.807 1
1 837 . 15 1 1 A 73 73 GLU HA H 134 4.166 4.020 0.146 1
1 842 . 15 1 1 A 73 73 GLU H H 134 7.307 8.090 -0.783 1
1 843 . 15 1 1 A 73 73 GLU N N 134 118.947 121.034 -2.087 1
1 844 . 15 1 1 A 74 74 THR CA C 135 67.017 65.685 1.332 1
1 845 . 15 1 1 A 74 74 THR CB C 135 68.224 68.321 -0.097 1
1 847 . 15 1 1 A 74 74 THR HA H 135 3.966 4.132 -0.166 1
1 849 . 15 1 1 A 74 74 THR H H 135 8.334 8.611 -0.277 1
1 850 . 15 1 1 A 74 74 THR N N 135 116.702 114.181 2.521 1
1 854 . 15 1 1 A 75 75 LEU CA C 136 57.604 57.792 -0.188 1
1 855 . 15 1 1 A 75 75 LEU CB C 136 41.375 41.241 0.134 1
1 859 . 15 1 1 A 75 75 LEU HA H 136 4.164 3.969 0.195 1
1 863 . 15 1 1 A 75 75 LEU H H 136 8.159 7.884 0.275 1
1 864 . 15 1 1 A 75 75 LEU N N 136 118.009 123.401 -5.392 1
1 871 . 15 1 1 A 76 76 SER CA C 137 58.446 58.156 0.290 1
1 872 . 15 1 1 A 76 76 SER CB C 137 63.709 62.832 0.877 1
1 873 . 15 1 1 A 76 76 SER HA H 137 4.808 4.679 0.129 1
1 876 . 15 1 1 A 76 76 SER H H 137 7.713 7.836 -0.123 1
1 877 . 15 1 1 A 76 76 SER N N 137 111.428 111.448 -0.020 1
1 878 . 15 1 1 A 77 77 GLY CA C 138 46.311 45.698 0.613 1
1 879 . 15 1 1 A 77 77 GLY HA2 H 138 4.815 4.110 0.705 1
1 880 . 15 1 1 A 77 77 GLY HA3 H 138 3.860 4.111 -0.251 1
1 881 . 15 1 1 A 77 77 GLY H H 138 7.779 7.363 0.416 1
1 882 . 15 1 1 A 77 77 GLY N N 138 112.185 109.112 3.073 1
1 883 . 15 1 1 A 78 78 ARG CA C 139 61.186 57.812 3.374 1
1 884 . 15 1 1 A 78 78 ARG CB C 139 29.871 30.516 -0.645 1
1 887 . 15 1 1 A 78 78 ARG HA H 139 3.853 4.204 -0.351 1
1 892 . 15 1 1 A 78 78 ARG H H 139 8.311 8.006 0.305 1
1 893 . 15 1 1 A 78 78 ARG N N 139 121.172 120.290 0.882 1
1 895 . 15 1 1 A 79 79 ASP CA C 140 57.533 56.606 0.927 1
1 896 . 15 1 1 A 79 79 ASP CB C 140 39.905 40.562 -0.657 1
1 897 . 15 1 1 A 79 79 ASP HA H 140 4.630 4.350 0.280 1
1 900 . 15 1 1 A 79 79 ASP H H 140 8.749 8.045 0.704 1
1 901 . 15 1 1 A 79 79 ASP N N 140 114.843 119.525 -4.682 1
1 902 . 15 1 1 A 80 80 ILE CA C 141 63.732 63.792 -0.060 1
1 903 . 15 1 1 A 80 80 ILE CB C 141 38.239 37.671 0.568 1
1 907 . 15 1 1 A 80 80 ILE HA H 141 4.070 3.980 0.090 1
1 911 . 15 1 1 A 80 80 ILE H H 141 7.565 7.415 0.150 1
1 912 . 15 1 1 A 80 80 ILE N N 141 121.986 117.436 4.550 1
1 919 . 15 1 1 A 81 81 ILE CA C 142 66.387 65.341 1.046 1
1 920 . 15 1 1 A 81 81 ILE CB C 142 38.194 37.926 0.268 1
1 924 . 15 1 1 A 81 81 ILE HA H 142 3.531 3.620 -0.089 1
1 928 . 15 1 1 A 81 81 ILE H H 142 8.309 7.520 0.789 1
1 929 . 15 1 1 A 81 81 ILE N N 142 121.735 120.128 1.607 1
1 936 . 15 1 1 A 82 82 ASN CA C 143 56.121 54.903 1.218 1
1 937 . 15 1 1 A 82 82 ASN CB C 143 38.023 36.969 1.054 1
1 938 . 15 1 1 A 82 82 ASN HA H 143 4.369 4.484 -0.115 1
1 941 . 15 1 1 A 82 82 ASN H H 143 8.919 8.821 0.098 1
1 942 . 15 1 1 A 82 82 ASN N N 143 118.128 117.420 0.708 1
1 946 . 15 1 1 A 83 83 ALA CA C 144 55.230 54.939 0.291 1
1 947 . 15 1 1 A 83 83 ALA CB C 144 18.378 18.318 0.060 1
1 948 . 15 1 1 A 83 83 ALA HA H 144 4.310 4.155 0.155 1
1 949 . 15 1 1 A 83 83 ALA H H 144 7.687 8.303 -0.616 1
1 950 . 15 1 1 A 83 83 ALA N N 144 122.048 121.910 0.138 1
1 954 . 15 1 1 A 84 84 ARG CA C 145 58.842 59.279 -0.437 1
1 955 . 15 1 1 A 84 84 ARG CB C 145 30.415 30.167 0.248 1
1 958 . 15 1 1 A 84 84 ARG HA H 145 4.297 4.046 0.251 1
1 963 . 15 1 1 A 84 84 ARG H H 145 8.579 7.840 0.739 1
1 964 . 15 1 1 A 84 84 ARG N N 145 119.430 118.108 1.322 1
1 966 . 15 1 1 A 85 85 LEU CA C 146 57.861 57.950 -0.089 1
1 967 . 15 1 1 A 85 85 LEU CB C 146 41.584 41.732 -0.148 1
1 971 . 15 1 1 A 85 85 LEU HA H 146 4.054 3.937 0.117 1
1 975 . 15 1 1 A 85 85 LEU H H 146 9.083 7.824 1.259 1
1 976 . 15 1 1 A 85 85 LEU N N 146 119.149 120.341 -1.192 1
1 983 . 15 1 1 A 86 86 ARG CA C 147 60.723 59.475 1.248 1
1 984 . 15 1 1 A 86 86 ARG CB C 147 29.549 29.878 -0.329 1
1 987 . 15 1 1 A 86 86 ARG HA H 147 3.774 3.991 -0.217 1
1 992 . 15 1 1 A 86 86 ARG H H 147 7.971 8.025 -0.054 1
1 993 . 15 1 1 A 86 86 ARG N N 147 118.395 120.743 -2.348 1
1 995 . 15 1 1 A 87 87 GLU CA C 148 59.392 58.666 0.726 1
1 996 . 15 1 1 A 87 87 GLU CB C 148 29.740 29.375 0.365 1
1 998 . 15 1 1 A 87 87 GLU HA H 148 4.120 4.101 0.019 1
1 1003 . 15 1 1 A 87 87 GLU H H 148 7.895 7.926 -0.031 1
1 1004 . 15 1 1 A 87 87 GLU N N 148 116.934 119.326 -2.392 1
1 1005 . 15 1 1 A 88 88 GLU CA C 149 58.455 58.213 0.242 1
1 1006 . 15 1 1 A 88 88 GLU CB C 149 29.306 30.392 -1.086 1
1 1008 . 15 1 1 A 88 88 GLU HA H 149 4.279 4.318 -0.039 1
1 1013 . 15 1 1 A 88 88 GLU H H 149 8.228 7.965 0.263 1
1 1014 . 15 1 1 A 88 88 GLU N N 149 116.458 118.644 -2.186 1
1 1015 . 15 1 1 A 89 89 LEU CA C 150 57.767 57.846 -0.079 1
1 1016 . 15 1 1 A 89 89 LEU CB C 150 42.450 40.946 1.504 1
1 1020 . 15 1 1 A 89 89 LEU HA H 150 4.239 4.051 0.188 1
1 1024 . 15 1 1 A 89 89 LEU H H 150 8.401 8.161 0.240 1
1 1025 . 15 1 1 A 89 89 LEU N N 150 117.854 120.177 -2.323 1
1 1032 . 15 1 1 A 90 90 ASP CA C 151 56.503 56.391 0.112 1
1 1033 . 15 1 1 A 90 90 ASP CB C 151 42.435 41.135 1.300 1
1 1034 . 15 1 1 A 90 90 ASP HA H 151 5.034 4.669 0.365 1
1 1037 . 15 1 1 A 90 90 ASP H H 151 8.524 8.129 0.395 1
1 1038 . 15 1 1 A 90 90 ASP N N 151 118.978 118.927 0.051 1
1 1039 . 15 1 1 A 91 91 LYS CA C 152 58.455 57.595 0.860 1
1 1040 . 15 1 1 A 91 91 LYS CB C 152 33.021 33.371 -0.350 1
1 1044 . 15 1 1 A 91 91 LYS HA H 152 4.279 4.283 -0.004 1
1 1049 . 15 1 1 A 91 91 LYS H H 152 7.348 7.530 -0.182 1
1 1050 . 15 1 1 A 91 91 LYS N N 152 114.172 116.833 -2.661 1
1 1053 . 15 1 1 A 92 92 ILE CA C 153 61.448 62.452 -1.004 1
1 1054 . 15 1 1 A 92 92 ILE CB C 153 39.068 37.164 1.904 1
1 1058 . 15 1 1 A 92 92 ILE HA H 153 4.427 3.839 0.588 1
1 1062 . 15 1 1 A 92 92 ILE H H 153 7.597 7.531 0.066 1
1 1063 . 15 1 1 A 92 92 ILE N N 153 114.441 119.197 -4.756 1
1 1070 . 15 1 1 A 93 93 THR CA C 154 65.433 63.035 2.398 1
1 1071 . 15 1 1 A 93 93 THR CB C 154 67.799 69.737 -1.938 1
1 1073 . 15 1 1 A 93 93 THR HA H 154 3.879 4.310 -0.431 1
1 1075 . 15 1 1 A 93 93 THR H H 154 8.195 7.205 0.990 1
1 1076 . 15 1 1 A 93 93 THR N N 154 110.253 112.013 -1.760 1
1 1080 . 15 1 1 A 94 94 ASP CA C 155 57.822 57.389 0.433 1
1 1081 . 15 1 1 A 94 94 ASP CB C 155 41.397 41.804 -0.407 1
1 1082 . 15 1 1 A 94 94 ASP HA H 155 4.514 4.366 0.148 1
1 1085 . 15 1 1 A 94 94 ASP H H 155 8.474 8.232 0.242 1
1 1086 . 15 1 1 A 94 94 ASP N N 155 124.348 122.373 1.975 1
1 1087 . 15 1 1 A 95 95 ARG CA C 156 57.783 58.790 -1.007 1
1 1088 . 15 1 1 A 95 95 ARG CB C 156 29.386 30.080 -0.694 1
1 1091 . 15 1 1 A 95 95 ARG HA H 156 4.173 4.118 0.055 1
1 1096 . 15 1 1 A 95 95 ARG H H 156 7.680 8.596 -0.916 1
1 1097 . 15 1 1 A 95 95 ARG N N 156 117.839 116.993 0.846 1
1 1099 . 15 1 1 A 96 96 TRP CB C 157 29.856 29.921 -0.065 1
1 1105 . 15 1 1 A 96 96 TRP HA H 157 4.943 4.800 0.143 1
1 1112 . 15 1 1 A 96 96 TRP H H 157 7.880 7.828 0.052 1
1 1115 . 15 1 1 A 96 96 TRP N N 157 117.944 119.328 -1.384 1
1 1117 . 15 1 1 A 97 97 GLY CA C 158 46.688 46.777 -0.089 1
1 1118 . 15 1 1 A 97 97 GLY HA2 H 158 4.411 4.047 0.364 1
1 1119 . 15 1 1 A 97 97 GLY HA3 H 158 4.249 4.065 0.184 1
1 1120 . 15 1 1 A 97 97 GLY H H 158 7.972 7.758 0.214 1
1 1121 . 15 1 1 A 97 97 GLY N N 158 104.253 109.512 -5.259 1
1 1122 . 15 1 1 A 98 98 VAL CA C 159 60.417 61.113 -0.696 1
1 1123 . 15 1 1 A 98 98 VAL CB C 159 36.365 35.184 1.181 1
1 1126 . 15 1 1 A 98 98 VAL HA H 159 5.012 4.690 0.322 1
1 1128 . 15 1 1 A 98 98 VAL H H 159 7.468 7.638 -0.170 1
1 1129 . 15 1 1 A 98 98 VAL N N 159 115.979 119.673 -3.694 1
1 1136 . 15 1 1 A 99 99 LYS CA C 160 53.521 54.518 -0.997 1
1 1137 . 15 1 1 A 99 99 LYS CB C 160 36.083 35.872 0.211 1
1 1141 . 15 1 1 A 99 99 LYS HA H 160 5.053 5.060 -0.007 1
1 1148 . 15 1 1 A 99 99 LYS H H 160 9.259 8.662 0.597 1
1 1149 . 15 1 1 A 99 99 LYS N N 160 126.977 128.326 -1.349 1
1 1151 . 15 1 1 A 100 100 ILE CB C 161 35.185 37.166 -1.981 1
1 1155 . 15 1 1 A 100 100 ILE HA H 161 4.896 4.371 0.525 1
1 1159 . 15 1 1 A 100 100 ILE H H 161 9.310 8.983 0.327 1
1 1160 . 15 1 1 A 100 100 ILE N N 161 127.468 127.314 0.154 1
1 1167 . 15 1 1 A 101 101 THR CA C 162 63.075 65.698 -2.623 1
1 1168 . 15 1 1 A 101 101 THR CB C 162 67.345 68.621 -1.276 1
1 1170 . 15 1 1 A 101 101 THR HA H 162 4.254 4.104 0.150 1
1 1172 . 15 1 1 A 101 101 THR H H 162 8.783 8.549 0.234 1
1 1173 . 15 1 1 A 101 101 THR N N 162 120.609 120.747 -0.138 1
1 1177 . 15 1 1 A 102 102 ARG CA C 163 55.929 54.899 1.030 1
1 1178 . 15 1 1 A 102 102 ARG CB C 163 32.468 32.085 0.383 1
1 1181 . 15 1 1 A 102 102 ARG HA H 163 4.606 4.676 -0.070 1
1 1188 . 15 1 1 A 102 102 ARG H H 163 7.669 7.672 -0.003 1
1 1189 . 15 1 1 A 102 102 ARG N N 163 118.258 118.041 0.217 1
1 1190 . 15 1 1 A 103 103 VAL CB C 164 35.090 35.353 -0.263 1
1 1193 . 15 1 1 A 103 103 VAL HA H 164 4.886 4.637 0.249 1
1 1195 . 15 1 1 A 103 103 VAL H H 164 8.700 8.304 0.396 1
1 1196 . 15 1 1 A 103 103 VAL N N 164 122.135 119.210 2.925 1
1 1203 . 15 1 1 A 104 104 GLU CA C 165 54.469 54.414 0.055 1
1 1204 . 15 1 1 A 104 104 GLU CB C 165 33.028 33.144 -0.116 1
1 1206 . 15 1 1 A 104 104 GLU HA H 165 4.835 4.927 -0.092 1
1 1209 . 15 1 1 A 104 104 GLU H H 165 9.011 8.761 0.250 1
1 1210 . 15 1 1 A 104 104 GLU N N 165 123.789 125.750 -1.961 1
1 1212 . 15 1 1 A 105 105 ILE CA C 166 61.576 59.788 1.788 1
1 1213 . 15 1 1 A 105 105 ILE CB C 166 37.908 40.396 -2.488 1
1 1217 . 15 1 1 A 105 105 ILE HA H 166 4.525 4.800 -0.275 1
1 1219 . 15 1 1 A 105 105 ILE H H 166 9.869 8.689 1.180 1
1 1220 . 15 1 1 A 105 105 ILE N N 166 130.058 123.658 6.400 1
1 1229 . 15 1 1 A 106 106 GLN CA C 167 55.964 54.277 1.687 1
1 1230 . 15 1 1 A 106 106 GLN CB C 167 28.789 30.529 -1.740 1
1 1232 . 15 1 1 A 106 106 GLN HA H 167 4.661 4.636 0.025 1
1 1239 . 15 1 1 A 106 106 GLN H H 167 8.573 8.353 0.220 1
1 1240 . 15 1 1 A 106 106 GLN N N 167 127.576 125.197 2.379 1
1 1242 . 15 1 1 A 107 107 ARG CA C 168 56.113 57.359 -1.246 1
1 1243 . 15 1 1 A 107 107 ARG CB C 168 32.098 31.080 1.018 1
1 1246 . 15 1 1 A 107 107 ARG HA H 168 4.468 4.288 0.180 1
1 1251 . 15 1 1 A 107 107 ARG H H 168 8.762 8.394 0.368 1
1 1252 . 15 1 1 A 107 107 ARG N N 168 122.725 121.543 1.182 1
1 1254 . 15 1 1 A 108 108 ILE CA C 169 61.618 59.486 2.132 1
1 1255 . 15 1 1 A 108 108 ILE CB C 169 39.583 41.139 -1.556 1
1 1259 . 15 1 1 A 108 108 ILE HA H 169 4.451 4.914 -0.463 1
1 1263 . 15 1 1 A 108 108 ILE H H 169 7.996 8.430 -0.434 1
1 1264 . 15 1 1 A 108 108 ILE N N 169 120.383 121.912 -1.529 1
1 1271 . 15 1 1 A 109 109 ASP CA C 170 51.571 50.185 1.386 1
1 1272 . 15 1 1 A 109 109 ASP CB C 170 42.763 43.392 -0.629 1
1 1273 . 15 1 1 A 109 109 ASP HA H 170 5.579 5.082 0.497 1
1 1276 . 15 1 1 A 109 109 ASP H H 170 9.067 8.431 0.636 1
1 1277 . 15 1 1 A 109 109 ASP N N 170 126.604 124.215 2.389 1
1 1278 . 15 1 1 A 110 110 PRO CA C 171 61.302 61.505 -0.203 1
1 1279 . 15 1 1 A 110 110 PRO CB C 171 30.857 31.665 -0.808 1
1 1282 . 15 1 1 A 110 110 PRO HA H 171 5.081 4.739 0.342 1
1 1288 . 15 1 1 A 111 111 PRO CA C 172 63.367 62.778 0.589 1
1 1289 . 15 1 1 A 111 111 PRO CB C 172 32.050 32.030 0.020 1
1 1292 . 15 1 1 A 111 111 PRO HA H 172 4.568 4.776 -0.208 1
1 1298 . 15 1 1 A 112 112 LYS CA C 173 55.951 55.107 0.844 1
1 1299 . 15 1 1 A 112 112 LYS CB C 173 33.412 34.356 -0.944 1
1 1303 . 15 1 1 A 112 112 LYS HA H 173 4.465 4.567 -0.102 1
1 1306 . 15 1 1 A 112 112 LYS H H 173 8.533 8.328 0.205 1
1 1307 . 15 1 1 A 112 112 LYS N N 173 122.499 118.081 4.418 1
1 1 . 16 1 1 A 2 2 SER HA H 63 4.660 4.045 0.615 1
1 4 . 16 1 1 A 2 2 SER CB C 63 63.645 62.641 1.004 1
1 5 . 16 1 1 A 3 3 ASP HA H 64 4.688 4.381 0.307 1
1 8 . 16 1 1 A 3 3 ASP H H 64 8.603 8.319 0.284 1
1 9 . 16 1 1 A 3 3 ASP CA C 64 54.354 57.528 -3.174 1
1 10 . 16 1 1 A 3 3 ASP CB C 64 40.980 40.698 0.282 1
1 11 . 16 1 1 A 3 3 ASP N N 64 122.069 120.515 1.554 1
1 12 . 16 1 1 A 4 4 HIS HA H 65 4.735 5.071 -0.336 1
1 17 . 16 1 1 A 4 4 HIS H H 65 8.354 7.982 0.372 1
1 18 . 16 1 1 A 4 4 HIS CA C 65 56.220 53.820 2.400 1
1 19 . 16 1 1 A 4 4 HIS CB C 65 30.570 31.837 -1.267 1
1 22 . 16 1 1 A 4 4 HIS N N 65 119.219 113.388 5.831 1
1 29 . 16 1 1 A 5 5 VAL HA H 66 4.183 4.762 -0.579 1
1 31 . 16 1 1 A 5 5 VAL H H 66 8.073 8.954 -0.881 1
1 32 . 16 1 1 A 5 5 VAL CA C 66 62.127 59.122 3.005 1
1 33 . 16 1 1 A 5 5 VAL CB C 66 32.960 35.441 -2.481 1
1 36 . 16 1 1 A 5 5 VAL N N 66 121.775 118.770 3.005 1
1 37 . 16 1 1 A 6 6 ASP CA C 67 53.727 52.763 0.964 1
1 38 . 16 1 1 A 6 6 ASP CB C 67 41.472 43.604 -2.132 1
1 39 . 16 1 1 A 6 6 ASP HA H 67 4.771 5.290 -0.519 1
1 42 . 16 1 1 A 6 6 ASP H H 67 8.615 8.730 -0.115 1
1 43 . 16 1 1 A 6 6 ASP N N 67 124.725 120.641 4.084 1
1 44 . 16 1 1 A 7 7 LEU CA C 68 54.586 54.411 0.175 1
1 45 . 16 1 1 A 7 7 LEU CB C 68 41.657 41.139 0.518 1
1 49 . 16 1 1 A 7 7 LEU HA H 68 4.556 4.470 0.086 1
1 53 . 16 1 1 A 7 7 LEU H H 68 8.441 8.810 -0.369 1
1 54 . 16 1 1 A 7 7 LEU N N 68 123.747 125.339 -1.592 1
1 61 . 16 1 1 A 8 8 ARG CA C 69 56.247 55.318 0.929 1
1 62 . 16 1 1 A 8 8 ARG CB C 69 30.828 31.130 -0.302 1
1 65 . 16 1 1 A 8 8 ARG HA H 69 4.253 4.531 -0.278 1
1 70 . 16 1 1 A 8 8 ARG H H 69 8.209 7.575 0.634 1
1 71 . 16 1 1 A 8 8 ARG N N 69 121.063 121.924 -0.861 1
1 73 . 16 1 1 A 9 9 GLU CA C 70 55.691 55.954 -0.263 1
1 74 . 16 1 1 A 9 9 GLU CB C 70 31.777 29.867 1.910 1
1 76 . 16 1 1 A 9 9 GLU HA H 70 4.655 4.102 0.553 1
1 79 . 16 1 1 A 9 9 GLU H H 70 8.338 8.365 -0.027 1
1 80 . 16 1 1 A 9 9 GLU N N 70 121.677 126.121 -4.444 1
1 82 . 16 1 1 A 10 10 HIS CA C 71 54.619 54.028 0.591 1
1 83 . 16 1 1 A 10 10 HIS CB C 71 32.189 33.536 -1.347 1
1 86 . 16 1 1 A 10 10 HIS HA H 71 4.716 4.844 -0.128 1
1 91 . 16 1 1 A 10 10 HIS H H 71 9.043 8.442 0.601 1
1 92 . 16 1 1 A 10 10 HIS N N 71 125.575 118.573 7.002 1
1 93 . 16 1 1 A 11 11 VAL CA C 72 60.567 60.077 0.490 1
1 94 . 16 1 1 A 11 11 VAL CB C 72 35.380 33.568 1.812 1
1 97 . 16 1 1 A 11 11 VAL HA H 72 4.951 4.815 0.136 1
1 99 . 16 1 1 A 11 11 VAL H H 72 8.218 8.589 -0.371 1
1 100 . 16 1 1 A 11 11 VAL N N 72 117.348 116.500 0.848 1
1 107 . 16 1 1 A 12 12 ILE CA C 73 59.857 60.044 -0.187 1
1 108 . 16 1 1 A 12 12 ILE CB C 73 41.969 40.180 1.789 1
1 112 . 16 1 1 A 12 12 ILE HA H 73 4.464 4.926 -0.462 1
1 116 . 16 1 1 A 12 12 ILE H H 73 9.272 8.864 0.408 1
1 117 . 16 1 1 A 12 12 ILE N N 73 126.908 123.432 3.476 1
1 124 . 16 1 1 A 13 13 ASP CB C 74 41.534 41.535 -0.001 1
1 125 . 16 1 1 A 13 13 ASP HA H 74 4.885 5.026 -0.141 1
1 128 . 16 1 1 A 13 13 ASP H H 74 8.501 8.775 -0.274 1
1 129 . 16 1 1 A 13 13 ASP N N 74 126.253 127.961 -1.708 1
1 130 . 16 1 1 A 14 14 VAL CA C 75 59.550 58.305 1.245 1
1 131 . 16 1 1 A 14 14 VAL CB C 75 32.270 34.346 -2.076 1
1 134 . 16 1 1 A 14 14 VAL HA H 75 4.491 4.738 -0.247 1
1 136 . 16 1 1 A 14 14 VAL H H 75 8.758 8.958 -0.200 1
1 137 . 16 1 1 A 14 14 VAL N N 75 124.997 123.885 1.112 1
1 144 . 16 1 1 A 15 15 PRO CB C 76 30.981 31.677 -0.696 1
1 147 . 16 1 1 A 15 15 PRO HA H 76 4.837 4.715 0.122 1
1 153 . 16 1 1 A 16 16 PRO CB C 77 32.267 33.050 -0.783 1
1 156 . 16 1 1 A 16 16 PRO HA H 77 4.881 4.974 -0.093 1
1 162 . 16 1 1 A 17 17 GLN CA C 78 53.332 54.400 -1.068 1
1 163 . 16 1 1 A 17 17 GLN CB C 78 33.352 31.529 1.823 1
1 165 . 16 1 1 A 17 17 GLN HA H 78 4.768 4.830 -0.062 1
1 170 . 16 1 1 A 17 17 GLN H H 78 8.612 8.148 0.464 1
1 171 . 16 1 1 A 17 17 GLN N N 78 119.550 119.294 0.256 1
1 175 . 16 1 1 A 18 18 GLU CA C 79 55.955 56.377 -0.422 1
1 176 . 16 1 1 A 18 18 GLU CB C 79 30.087 29.739 0.348 1
1 178 . 16 1 1 A 18 18 GLU HA H 79 5.070 4.696 0.374 1
1 183 . 16 1 1 A 18 18 GLU H H 79 8.626 8.712 -0.086 1
1 184 . 16 1 1 A 18 18 GLU N N 79 123.226 124.298 -1.072 1
1 185 . 16 1 1 A 19 19 VAL CA C 80 60.191 60.931 -0.740 1
1 186 . 16 1 1 A 19 19 VAL CB C 80 34.901 34.696 0.205 1
1 189 . 16 1 1 A 19 19 VAL HA H 80 4.562 4.597 -0.035 1
1 191 . 16 1 1 A 19 19 VAL H H 80 9.568 8.216 1.352 1
1 192 . 16 1 1 A 19 19 VAL N N 80 123.365 125.161 -1.796 1
1 199 . 16 1 1 A 20 20 ILE CA C 81 60.810 61.487 -0.677 1
1 200 . 16 1 1 A 20 20 ILE CB C 81 39.198 37.237 1.961 1
1 204 . 16 1 1 A 20 20 ILE HA H 81 4.678 4.039 0.639 1
1 208 . 16 1 1 A 20 20 ILE H H 81 8.048 8.742 -0.694 1
1 209 . 16 1 1 A 20 20 ILE N N 81 122.564 128.500 -5.936 1
1 216 . 16 1 1 A 21 21 CYS CB C 82 29.386 28.709 0.677 1
1 217 . 16 1 1 A 21 21 CYS HA H 82 4.932 4.489 0.443 1
1 220 . 16 1 1 A 21 21 CYS H H 82 8.796 9.143 -0.347 1
1 221 . 16 1 1 A 21 21 CYS N N 82 125.960 126.900 -0.940 1
1 222 . 16 1 1 A 22 22 LYS CA C 83 59.330 58.761 0.569 1
1 223 . 16 1 1 A 22 22 LYS CB C 83 33.478 32.400 1.078 1
1 227 . 16 1 1 A 22 22 LYS HA H 83 4.096 4.037 0.059 1
1 234 . 16 1 1 A 22 22 LYS H H 83 8.735 8.595 0.140 1
1 235 . 16 1 1 A 22 22 LYS N N 83 123.785 124.941 -1.156 1
1 237 . 16 1 1 A 23 23 ASP CA C 84 53.011 53.229 -0.218 1
1 238 . 16 1 1 A 23 23 ASP CB C 84 38.642 40.739 -2.097 1
1 239 . 16 1 1 A 23 23 ASP HA H 84 4.694 4.786 -0.092 1
1 242 . 16 1 1 A 23 23 ASP H H 84 8.667 7.774 0.893 1
1 243 . 16 1 1 A 23 23 ASP N N 84 112.676 117.704 -5.028 1
1 244 . 16 1 1 A 24 24 ASN CA C 85 54.989 54.499 0.490 1
1 245 . 16 1 1 A 24 24 ASN CB C 85 36.698 36.740 -0.042 1
1 246 . 16 1 1 A 24 24 ASN HA H 85 4.321 4.271 0.050 1
1 251 . 16 1 1 A 24 24 ASN H H 85 8.264 7.657 0.607 1
1 252 . 16 1 1 A 24 24 ASN N N 85 112.321 114.383 -2.062 1
1 254 . 16 1 1 A 25 25 VAL CA C 86 61.920 61.275 0.645 1
1 255 . 16 1 1 A 25 25 VAL CB C 86 33.581 33.379 0.202 1
1 258 . 16 1 1 A 25 25 VAL HA H 86 4.247 4.369 -0.122 1
1 260 . 16 1 1 A 25 25 VAL H H 86 6.817 7.624 -0.807 1
1 261 . 16 1 1 A 25 25 VAL N N 86 117.663 118.623 -0.960 1
1 268 . 16 1 1 A 26 26 VAL CA C 87 62.127 61.691 0.436 1
1 269 . 16 1 1 A 26 26 VAL CB C 87 32.468 32.448 0.020 1
1 272 . 16 1 1 A 26 26 VAL HA H 87 4.710 4.582 0.128 1
1 274 . 16 1 1 A 26 26 VAL H H 87 8.467 8.789 -0.322 1
1 275 . 16 1 1 A 26 26 VAL N N 87 128.149 129.099 -0.950 1
1 282 . 16 1 1 A 27 27 VAL CA C 88 58.409 58.931 -0.522 1
1 283 . 16 1 1 A 27 27 VAL CB C 88 34.991 35.766 -0.775 1
1 286 . 16 1 1 A 27 27 VAL HA H 88 4.995 5.018 -0.023 1
1 288 . 16 1 1 A 27 27 VAL H H 88 8.983 8.867 0.116 1
1 289 . 16 1 1 A 27 27 VAL N N 88 119.421 123.195 -3.774 1
1 296 . 16 1 1 A 28 28 THR CA C 89 62.180 62.384 -0.204 1
1 297 . 16 1 1 A 28 28 THR CB C 89 69.351 69.719 -0.368 1
1 299 . 16 1 1 A 28 28 THR HA H 89 5.249 4.766 0.483 1
1 301 . 16 1 1 A 28 28 THR H H 89 8.544 8.357 0.187 1
1 302 . 16 1 1 A 28 28 THR N N 89 118.810 119.031 -0.221 1
1 306 . 16 1 1 A 29 29 VAL CA C 90 58.826 59.553 -0.727 1
1 307 . 16 1 1 A 29 29 VAL CB C 90 36.035 34.458 1.577 1
1 310 . 16 1 1 A 29 29 VAL HA H 90 5.527 5.010 0.517 1
1 312 . 16 1 1 A 29 29 VAL H H 90 8.818 8.842 -0.024 1
1 313 . 16 1 1 A 29 29 VAL N N 90 123.670 127.240 -3.570 1
1 320 . 16 1 1 A 30 30 ASP CA C 91 52.821 52.465 0.356 1
1 321 . 16 1 1 A 30 30 ASP CB C 91 42.960 45.092 -2.132 1
1 322 . 16 1 1 A 30 30 ASP HA H 91 4.785 5.569 -0.784 1
1 325 . 16 1 1 A 30 30 ASP H H 91 8.478 9.263 -0.785 1
1 326 . 16 1 1 A 30 30 ASP N N 91 125.411 126.796 -1.385 1
1 327 . 16 1 1 A 31 31 ALA CA C 92 51.718 51.325 0.393 1
1 328 . 16 1 1 A 31 31 ALA CB C 92 22.216 23.810 -1.594 1
1 329 . 16 1 1 A 31 31 ALA HA H 92 5.268 4.838 0.430 1
1 330 . 16 1 1 A 31 31 ALA H H 92 8.075 8.637 -0.562 1
1 331 . 16 1 1 A 31 31 ALA N N 92 116.806 121.251 -4.445 1
1 335 . 16 1 1 A 32 32 VAL CB C 93 34.772 35.313 -0.541 1
1 338 . 16 1 1 A 32 32 VAL HA H 93 4.901 5.042 -0.141 1
1 340 . 16 1 1 A 32 32 VAL H H 93 8.306 9.016 -0.710 1
1 341 . 16 1 1 A 32 32 VAL N N 93 117.482 112.647 4.835 1
1 348 . 16 1 1 A 33 33 VAL CA C 94 61.058 61.118 -0.060 1
1 349 . 16 1 1 A 33 33 VAL CB C 94 34.773 35.241 -0.468 1
1 352 . 16 1 1 A 33 33 VAL HA H 94 4.515 4.960 -0.445 1
1 354 . 16 1 1 A 33 33 VAL H H 94 8.873 8.656 0.217 1
1 355 . 16 1 1 A 33 33 VAL N N 94 124.653 121.217 3.436 1
1 362 . 16 1 1 A 34 34 TYR CA C 95 56.333 57.670 -1.337 1
1 363 . 16 1 1 A 34 34 TYR CB C 95 40.336 40.828 -0.492 1
1 366 . 16 1 1 A 34 34 TYR HA H 95 5.834 5.449 0.385 1
1 371 . 16 1 1 A 34 34 TYR H H 95 8.989 8.798 0.191 1
1 372 . 16 1 1 A 34 34 TYR N N 95 126.081 127.276 -1.195 1
1 375 . 16 1 1 A 35 35 TYR CA C 96 55.679 56.545 -0.866 1
1 376 . 16 1 1 A 35 35 TYR CB C 96 42.824 40.827 1.997 1
1 379 . 16 1 1 A 35 35 TYR HA H 96 6.097 5.451 0.646 1
1 384 . 16 1 1 A 35 35 TYR H H 96 9.102 8.253 0.849 1
1 385 . 16 1 1 A 35 35 TYR N N 96 117.188 118.553 -1.365 1
1 388 . 16 1 1 A 36 36 GLN CB C 97 33.643 32.538 1.105 1
1 390 . 16 1 1 A 36 36 GLN HA H 97 4.942 5.074 -0.132 1
1 395 . 16 1 1 A 36 36 GLN H H 97 9.441 8.474 0.967 1
1 396 . 16 1 1 A 36 36 GLN N N 97 118.000 118.868 -0.868 1
1 399 . 16 1 1 A 37 37 VAL CA C 98 63.621 63.259 0.362 1
1 400 . 16 1 1 A 37 37 VAL CB C 98 31.380 30.828 0.552 1
1 403 . 16 1 1 A 37 37 VAL HA H 98 4.286 4.072 0.214 1
1 405 . 16 1 1 A 37 37 VAL H H 98 9.692 8.962 0.730 1
1 406 . 16 1 1 A 37 37 VAL N N 98 126.436 123.376 3.060 1
1 413 . 16 1 1 A 38 38 ILE CA C 99 61.011 62.709 -1.698 1
1 414 . 16 1 1 A 38 38 ILE CB C 99 38.943 38.135 0.808 1
1 418 . 16 1 1 A 38 38 ILE HA H 99 4.514 4.097 0.417 1
1 422 . 16 1 1 A 38 38 ILE H H 99 8.540 8.076 0.464 1
1 423 . 16 1 1 A 38 38 ILE N N 99 123.480 124.187 -0.707 1
1 430 . 16 1 1 A 39 39 ASP CA C 100 50.850 51.088 -0.238 1
1 431 . 16 1 1 A 39 39 ASP CB C 100 41.979 41.988 -0.009 1
1 432 . 16 1 1 A 39 39 ASP HA H 100 5.326 5.000 0.326 1
1 435 . 16 1 1 A 39 39 ASP H H 100 8.135 7.510 0.625 1
1 436 . 16 1 1 A 39 39 ASP N N 100 119.056 121.816 -2.760 1
1 437 . 16 1 1 A 40 40 PRO CA C 101 64.279 64.011 0.268 1
1 438 . 16 1 1 A 40 40 PRO CB C 101 32.510 31.764 0.746 1
1 441 . 16 1 1 A 40 40 PRO HA H 101 4.299 4.353 -0.054 1
1 448 . 16 1 1 A 41 41 VAL CA C 102 65.120 65.328 -0.208 1
1 449 . 16 1 1 A 41 41 VAL CB C 102 31.406 31.294 0.112 1
1 452 . 16 1 1 A 41 41 VAL HA H 102 3.886 3.880 0.006 1
1 454 . 16 1 1 A 41 41 VAL H H 102 7.936 7.469 0.467 1
1 455 . 16 1 1 A 41 41 VAL N N 102 118.168 116.557 1.611 1
1 462 . 16 1 1 A 42 42 LYS CA C 103 57.852 57.658 0.194 1
1 463 . 16 1 1 A 42 42 LYS CB C 103 33.597 33.597 0.000 1
1 467 . 16 1 1 A 42 42 LYS HA H 103 4.242 4.426 -0.184 1
1 472 . 16 1 1 A 42 42 LYS H H 103 7.240 7.493 -0.253 1
1 473 . 16 1 1 A 42 42 LYS N N 103 118.280 120.357 -2.077 1
1 476 . 16 1 1 A 43 43 ALA CA C 104 53.615 51.743 1.872 1
1 477 . 16 1 1 A 43 43 ALA CB C 104 18.578 18.347 0.231 1
1 478 . 16 1 1 A 43 43 ALA HA H 104 4.632 4.191 0.441 1
1 479 . 16 1 1 A 43 43 ALA H H 104 7.702 7.564 0.138 1
1 480 . 16 1 1 A 43 43 ALA N N 104 122.122 119.994 2.128 1
1 484 . 16 1 1 A 44 44 VAL CA C 105 62.530 64.799 -2.269 1
1 485 . 16 1 1 A 44 44 VAL CB C 105 31.680 31.347 0.333 1
1 488 . 16 1 1 A 44 44 VAL HA H 105 4.197 3.863 0.334 1
1 490 . 16 1 1 A 44 44 VAL H H 105 7.682 8.012 -0.330 1
1 491 . 16 1 1 A 44 44 VAL N N 105 115.037 119.873 -4.836 1
1 498 . 16 1 1 A 45 45 TYR CA C 106 57.222 58.073 -0.851 1
1 499 . 16 1 1 A 45 45 TYR CB C 106 38.651 38.257 0.394 1
1 502 . 16 1 1 A 45 45 TYR HA H 106 4.652 4.473 0.179 1
1 505 . 16 1 1 A 45 45 TYR H H 106 7.436 7.577 -0.141 1
1 506 . 16 1 1 A 45 45 TYR N N 106 118.804 120.738 -1.934 1
1 510 . 16 1 1 A 46 46 ASN CB C 107 39.028 36.786 2.242 1
1 511 . 16 1 1 A 46 46 ASN HA H 107 4.959 4.305 0.654 1
1 516 . 16 1 1 A 46 46 ASN H H 107 8.614 8.040 0.574 1
1 517 . 16 1 1 A 46 46 ASN N N 107 118.495 113.324 5.171 1
1 519 . 16 1 1 A 47 47 VAL CA C 108 65.178 63.030 2.148 1
1 520 . 16 1 1 A 47 47 VAL CB C 108 32.022 29.539 2.483 1
1 523 . 16 1 1 A 47 47 VAL HA H 108 3.952 3.634 0.318 1
1 525 . 16 1 1 A 47 47 VAL H H 108 8.342 7.928 0.414 1
1 526 . 16 1 1 A 47 47 VAL N N 108 123.377 117.006 6.371 1
1 533 . 16 1 1 A 48 48 SER CA C 109 61.473 61.151 0.322 1
1 534 . 16 1 1 A 48 48 SER CB C 109 62.248 63.205 -0.957 1
1 535 . 16 1 1 A 48 48 SER HA H 109 4.298 4.405 -0.107 1
1 536 . 16 1 1 A 48 48 SER H H 109 8.353 7.802 0.551 1
1 537 . 16 1 1 A 48 48 SER N N 109 116.439 118.980 -2.541 1
1 539 . 16 1 1 A 49 49 ASP CA C 110 56.211 57.225 -1.014 1
1 540 . 16 1 1 A 49 49 ASP CB C 110 40.691 39.943 0.748 1
1 541 . 16 1 1 A 49 49 ASP HA H 110 4.534 4.188 0.346 1
1 542 . 16 1 1 A 49 49 ASP H H 110 7.832 8.406 -0.574 1
1 543 . 16 1 1 A 49 49 ASP N N 110 121.141 121.570 -0.429 1
1 545 . 16 1 1 A 50 50 PHE CA C 111 60.009 61.017 -1.008 1
1 546 . 16 1 1 A 50 50 PHE CB C 111 38.598 39.401 -0.803 1
1 550 . 16 1 1 A 50 50 PHE HA H 111 3.486 4.170 -0.684 1
1 555 . 16 1 1 A 50 50 PHE H H 111 8.044 8.355 -0.311 1
1 557 . 16 1 1 A 50 50 PHE N N 111 122.621 122.738 -0.117 1
1 560 . 16 1 1 A 51 51 LEU CA C 112 58.009 58.137 -0.128 1
1 561 . 16 1 1 A 51 51 LEU CB C 112 41.213 41.926 -0.713 1
1 565 . 16 1 1 A 51 51 LEU HA H 112 3.546 3.604 -0.058 1
1 569 . 16 1 1 A 51 51 LEU H H 112 8.046 8.075 -0.029 1
1 570 . 16 1 1 A 51 51 LEU N N 112 119.691 120.096 -0.405 1
1 577 . 16 1 1 A 52 52 MET CA C 113 57.696 58.457 -0.761 1
1 578 . 16 1 1 A 52 52 MET CB C 113 32.289 32.366 -0.077 1
1 581 . 16 1 1 A 52 52 MET HA H 113 4.231 4.102 0.129 1
1 586 . 16 1 1 A 52 52 MET H H 113 7.563 8.159 -0.596 1
1 587 . 16 1 1 A 52 52 MET N N 113 115.770 116.802 -1.032 1
1 591 . 16 1 1 A 53 53 ALA CA C 114 54.815 55.081 -0.266 1
1 592 . 16 1 1 A 53 53 ALA CB C 114 18.369 18.533 -0.164 1
1 593 . 16 1 1 A 53 53 ALA HA H 114 4.199 4.040 0.159 1
1 594 . 16 1 1 A 53 53 ALA H H 114 7.878 8.213 -0.335 1
1 595 . 16 1 1 A 53 53 ALA N N 114 121.804 122.555 -0.751 1
1 599 . 16 1 1 A 54 54 ILE CA C 115 63.259 64.772 -1.513 1
1 600 . 16 1 1 A 54 54 ILE CB C 115 36.127 37.691 -1.564 1
1 604 . 16 1 1 A 54 54 ILE HA H 115 3.767 3.596 0.171 1
1 608 . 16 1 1 A 54 54 ILE H H 115 8.202 8.098 0.104 1
1 609 . 16 1 1 A 54 54 ILE N N 115 118.054 118.212 -0.158 1
1 616 . 16 1 1 A 55 55 VAL CA C 116 68.036 67.062 0.974 1
1 617 . 16 1 1 A 55 55 VAL CB C 116 31.463 31.531 -0.068 1
1 620 . 16 1 1 A 55 55 VAL HA H 116 3.509 3.520 -0.011 1
1 622 . 16 1 1 A 55 55 VAL H H 116 7.961 7.587 0.374 1
1 623 . 16 1 1 A 55 55 VAL N N 116 121.095 119.856 1.239 1
1 630 . 16 1 1 A 56 56 LYS CA C 117 59.077 59.435 -0.358 1
1 631 . 16 1 1 A 56 56 LYS CB C 117 31.997 32.270 -0.273 1
1 635 . 16 1 1 A 56 56 LYS HA H 117 4.297 4.005 0.292 1
1 638 . 16 1 1 A 56 56 LYS H H 117 8.000 7.512 0.488 1
1 639 . 16 1 1 A 56 56 LYS N N 117 118.806 119.209 -0.403 1
1 643 . 16 1 1 A 57 57 LEU CA C 118 57.515 57.976 -0.461 1
1 644 . 16 1 1 A 57 57 LEU CB C 118 42.727 41.791 0.936 1
1 648 . 16 1 1 A 57 57 LEU HA H 118 4.286 3.907 0.379 1
1 652 . 16 1 1 A 57 57 LEU H H 118 8.390 8.454 -0.064 1
1 653 . 16 1 1 A 57 57 LEU N N 118 120.738 119.997 0.741 1
1 660 . 16 1 1 A 58 58 ALA CA C 119 55.695 55.627 0.068 1
1 661 . 16 1 1 A 58 58 ALA CB C 119 17.984 18.468 -0.484 1
1 662 . 16 1 1 A 58 58 ALA HA H 119 4.131 4.025 0.106 1
1 663 . 16 1 1 A 58 58 ALA H H 119 9.213 8.722 0.491 1
1 664 . 16 1 1 A 58 58 ALA N N 119 123.641 120.135 3.506 1
1 668 . 16 1 1 A 59 59 GLN CA C 120 60.234 59.174 1.060 1
1 669 . 16 1 1 A 59 59 GLN CB C 120 28.353 28.294 0.059 1
1 671 . 16 1 1 A 59 59 GLN HA H 120 3.972 4.019 -0.047 1
1 678 . 16 1 1 A 59 59 GLN H H 120 8.649 7.889 0.760 1
1 679 . 16 1 1 A 59 59 GLN N N 120 116.453 117.486 -1.033 1
1 681 . 16 1 1 A 60 60 THR CA C 121 66.360 66.782 -0.422 1
1 682 . 16 1 1 A 60 60 THR CB C 121 68.868 69.085 -0.217 1
1 684 . 16 1 1 A 60 60 THR HA H 121 4.076 3.961 0.115 1
1 686 . 16 1 1 A 60 60 THR H H 121 8.566 7.977 0.589 1
1 687 . 16 1 1 A 60 60 THR N N 121 115.479 117.239 -1.760 1
1 691 . 16 1 1 A 61 61 ASN CA C 122 57.397 56.385 1.012 1
1 692 . 16 1 1 A 61 61 ASN CB C 122 39.535 38.077 1.458 1
1 693 . 16 1 1 A 61 61 ASN HA H 122 4.626 4.452 0.174 1
1 698 . 16 1 1 A 61 61 ASN H H 122 8.433 8.592 -0.159 1
1 699 . 16 1 1 A 61 61 ASN N N 122 120.652 119.222 1.430 1
1 701 . 16 1 1 A 62 62 LEU CA C 123 58.804 58.198 0.606 1
1 702 . 16 1 1 A 62 62 LEU CB C 123 42.331 41.594 0.737 1
1 706 . 16 1 1 A 62 62 LEU HA H 123 4.068 3.960 0.108 1
1 710 . 16 1 1 A 62 62 LEU H H 123 8.837 8.343 0.494 1
1 711 . 16 1 1 A 62 62 LEU N N 123 121.425 117.909 3.516 1
1 718 . 16 1 1 A 63 63 ARG CA C 124 59.647 59.207 0.440 1
1 719 . 16 1 1 A 63 63 ARG CB C 124 30.112 30.014 0.098 1
1 722 . 16 1 1 A 63 63 ARG HA H 124 4.030 3.966 0.064 1
1 727 . 16 1 1 A 63 63 ARG H H 124 7.502 7.872 -0.370 1
1 728 . 16 1 1 A 63 63 ARG N N 124 116.156 119.702 -3.546 1
1 730 . 16 1 1 A 64 64 ALA CA C 125 54.793 54.939 -0.146 1
1 731 . 16 1 1 A 64 64 ALA CB C 125 18.471 19.062 -0.591 1
1 732 . 16 1 1 A 64 64 ALA HA H 125 4.260 4.044 0.216 1
1 733 . 16 1 1 A 64 64 ALA H H 125 7.637 7.980 -0.343 1
1 734 . 16 1 1 A 64 64 ALA N N 125 121.808 121.935 -0.127 1
1 738 . 16 1 1 A 65 65 ILE CA C 126 64.917 64.545 0.372 1
1 739 . 16 1 1 A 65 65 ILE CB C 126 39.599 38.062 1.537 1
1 743 . 16 1 1 A 65 65 ILE HA H 126 3.745 3.750 -0.005 1
1 747 . 16 1 1 A 65 65 ILE H H 126 8.476 7.431 1.045 1
1 748 . 16 1 1 A 65 65 ILE N N 126 117.948 117.445 0.503 1
1 755 . 16 1 1 A 66 66 ILE CA C 127 64.704 64.817 -0.113 1
1 756 . 16 1 1 A 66 66 ILE CB C 127 37.188 37.602 -0.414 1
1 760 . 16 1 1 A 66 66 ILE HA H 127 3.826 3.744 0.082 1
1 764 . 16 1 1 A 66 66 ILE H H 127 8.130 8.472 -0.342 1
1 765 . 16 1 1 A 66 66 ILE N N 127 118.919 119.447 -0.528 1
1 772 . 16 1 1 A 67 67 GLY CA C 128 46.401 46.780 -0.379 1
1 773 . 16 1 1 A 67 67 GLY HA2 H 128 4.437 3.981 0.456 1
1 774 . 16 1 1 A 67 67 GLY HA3 H 128 3.925 3.981 -0.056 1
1 775 . 16 1 1 A 67 67 GLY H H 128 7.683 8.126 -0.443 1
1 776 . 16 1 1 A 67 67 GLY N N 128 104.485 109.299 -4.814 1
1 777 . 16 1 1 A 68 68 GLU CA C 129 55.446 55.137 0.309 1
1 778 . 16 1 1 A 68 68 GLU CB C 129 30.672 31.479 -0.807 1
1 780 . 16 1 1 A 68 68 GLU HA H 129 4.589 4.890 -0.301 1
1 785 . 16 1 1 A 68 68 GLU H H 129 7.111 8.255 -1.144 1
1 786 . 16 1 1 A 68 68 GLU N N 129 115.084 116.445 -1.361 1
1 787 . 16 1 1 A 69 69 MET CA C 130 55.238 54.620 0.618 1
1 788 . 16 1 1 A 69 69 MET CB C 130 36.559 36.522 0.037 1
1 791 . 16 1 1 A 69 69 MET HA H 130 4.763 4.835 -0.072 1
1 796 . 16 1 1 A 69 69 MET H H 130 8.414 8.582 -0.168 1
1 797 . 16 1 1 A 69 69 MET N N 130 121.732 121.687 0.045 1
1 801 . 16 1 1 A 70 70 GLU CA C 131 56.474 54.813 1.661 1
1 802 . 16 1 1 A 70 70 GLU CB C 131 30.686 32.167 -1.481 1
1 804 . 16 1 1 A 70 70 GLU HA H 131 4.354 4.935 -0.581 1
1 809 . 16 1 1 A 70 70 GLU H H 131 9.395 8.630 0.765 1
1 810 . 16 1 1 A 70 70 GLU N N 131 122.754 119.640 3.114 1
1 811 . 16 1 1 A 71 71 LEU CA C 132 59.955 58.403 1.552 1
1 812 . 16 1 1 A 71 71 LEU CB C 132 40.900 41.994 -1.094 1
1 816 . 16 1 1 A 71 71 LEU HA H 132 4.454 3.950 0.504 1
1 820 . 16 1 1 A 71 71 LEU H H 132 10.320 8.813 1.507 1
1 821 . 16 1 1 A 71 71 LEU N N 132 127.791 128.739 -0.948 1
1 828 . 16 1 1 A 72 72 ASP CA C 133 57.961 56.695 1.266 1
1 829 . 16 1 1 A 72 72 ASP CB C 133 40.031 40.832 -0.801 1
1 830 . 16 1 1 A 72 72 ASP HA H 133 4.452 4.384 0.068 1
1 831 . 16 1 1 A 72 72 ASP H H 133 9.283 7.859 1.424 1
1 832 . 16 1 1 A 72 72 ASP N N 133 117.573 118.696 -1.123 1
1 834 . 16 1 1 A 73 73 GLU CA C 134 58.070 59.356 -1.286 1
1 835 . 16 1 1 A 73 73 GLU CB C 134 30.329 29.720 0.609 1
1 837 . 16 1 1 A 73 73 GLU HA H 134 4.166 4.018 0.148 1
1 842 . 16 1 1 A 73 73 GLU H H 134 7.307 7.928 -0.621 1
1 843 . 16 1 1 A 73 73 GLU N N 134 118.947 120.294 -1.347 1
1 844 . 16 1 1 A 74 74 THR CA C 135 67.017 66.017 1.000 1
1 845 . 16 1 1 A 74 74 THR CB C 135 68.224 68.346 -0.122 1
1 847 . 16 1 1 A 74 74 THR HA H 135 3.966 4.134 -0.168 1
1 849 . 16 1 1 A 74 74 THR H H 135 8.334 8.606 -0.272 1
1 850 . 16 1 1 A 74 74 THR N N 135 116.702 114.305 2.397 1
1 854 . 16 1 1 A 75 75 LEU CA C 136 57.604 58.043 -0.439 1
1 855 . 16 1 1 A 75 75 LEU CB C 136 41.375 41.634 -0.259 1
1 859 . 16 1 1 A 75 75 LEU HA H 136 4.164 3.936 0.228 1
1 863 . 16 1 1 A 75 75 LEU H H 136 8.159 7.779 0.380 1
1 864 . 16 1 1 A 75 75 LEU N N 136 118.009 122.948 -4.939 1
1 871 . 16 1 1 A 76 76 SER CA C 137 58.446 57.998 0.448 1
1 872 . 16 1 1 A 76 76 SER CB C 137 63.709 63.341 0.368 1
1 873 . 16 1 1 A 76 76 SER HA H 137 4.808 4.757 0.051 1
1 876 . 16 1 1 A 76 76 SER H H 137 7.713 7.520 0.193 1
1 877 . 16 1 1 A 76 76 SER N N 137 111.428 111.162 0.266 1
1 878 . 16 1 1 A 77 77 GLY CA C 138 46.311 45.785 0.526 1
1 879 . 16 1 1 A 77 77 GLY HA2 H 138 4.815 4.194 0.621 1
1 880 . 16 1 1 A 77 77 GLY HA3 H 138 3.860 4.195 -0.335 1
1 881 . 16 1 1 A 77 77 GLY H H 138 7.779 8.046 -0.267 1
1 882 . 16 1 1 A 77 77 GLY N N 138 112.185 109.518 2.667 1
1 883 . 16 1 1 A 78 78 ARG CA C 139 61.186 59.238 1.948 1
1 884 . 16 1 1 A 78 78 ARG CB C 139 29.871 30.632 -0.761 1
1 887 . 16 1 1 A 78 78 ARG HA H 139 3.853 4.118 -0.265 1
1 892 . 16 1 1 A 78 78 ARG H H 139 8.311 7.729 0.582 1
1 893 . 16 1 1 A 78 78 ARG N N 139 121.172 119.059 2.113 1
1 895 . 16 1 1 A 79 79 ASP CA C 140 57.533 56.423 1.110 1
1 896 . 16 1 1 A 79 79 ASP CB C 140 39.905 40.593 -0.688 1
1 897 . 16 1 1 A 79 79 ASP HA H 140 4.630 4.412 0.218 1
1 900 . 16 1 1 A 79 79 ASP H H 140 8.749 8.153 0.596 1
1 901 . 16 1 1 A 79 79 ASP N N 140 114.843 119.078 -4.235 1
1 902 . 16 1 1 A 80 80 ILE CA C 141 63.732 63.530 0.202 1
1 903 . 16 1 1 A 80 80 ILE CB C 141 38.239 38.055 0.184 1
1 907 . 16 1 1 A 80 80 ILE HA H 141 4.070 4.003 0.067 1
1 911 . 16 1 1 A 80 80 ILE H H 141 7.565 7.586 -0.021 1
1 912 . 16 1 1 A 80 80 ILE N N 141 121.986 117.477 4.509 1
1 919 . 16 1 1 A 81 81 ILE CA C 142 66.387 65.223 1.164 1
1 920 . 16 1 1 A 81 81 ILE CB C 142 38.194 37.567 0.627 1
1 924 . 16 1 1 A 81 81 ILE HA H 142 3.531 3.488 0.043 1
1 928 . 16 1 1 A 81 81 ILE H H 142 8.309 7.469 0.840 1
1 929 . 16 1 1 A 81 81 ILE N N 142 121.735 119.823 1.912 1
1 936 . 16 1 1 A 82 82 ASN CA C 143 56.121 56.203 -0.082 1
1 937 . 16 1 1 A 82 82 ASN CB C 143 38.023 38.062 -0.039 1
1 938 . 16 1 1 A 82 82 ASN HA H 143 4.369 4.402 -0.033 1
1 941 . 16 1 1 A 82 82 ASN H H 143 8.919 8.505 0.414 1
1 942 . 16 1 1 A 82 82 ASN N N 143 118.128 118.482 -0.354 1
1 946 . 16 1 1 A 83 83 ALA CA C 144 55.230 55.129 0.101 1
1 947 . 16 1 1 A 83 83 ALA CB C 144 18.378 18.442 -0.064 1
1 948 . 16 1 1 A 83 83 ALA HA H 144 4.310 4.117 0.193 1
1 949 . 16 1 1 A 83 83 ALA H H 144 7.687 7.935 -0.248 1
1 950 . 16 1 1 A 83 83 ALA N N 144 122.048 122.688 -0.640 1
1 954 . 16 1 1 A 84 84 ARG CA C 145 58.842 59.327 -0.485 1
1 955 . 16 1 1 A 84 84 ARG CB C 145 30.415 30.015 0.400 1
1 958 . 16 1 1 A 84 84 ARG HA H 145 4.297 3.931 0.366 1
1 963 . 16 1 1 A 84 84 ARG H H 145 8.579 7.841 0.738 1
1 964 . 16 1 1 A 84 84 ARG N N 145 119.430 118.211 1.219 1
1 966 . 16 1 1 A 85 85 LEU CA C 146 57.861 57.586 0.275 1
1 967 . 16 1 1 A 85 85 LEU CB C 146 41.584 41.739 -0.155 1
1 971 . 16 1 1 A 85 85 LEU HA H 146 4.054 4.069 -0.015 1
1 975 . 16 1 1 A 85 85 LEU H H 146 9.083 7.994 1.089 1
1 976 . 16 1 1 A 85 85 LEU N N 146 119.149 120.519 -1.370 1
1 983 . 16 1 1 A 86 86 ARG CA C 147 60.723 59.502 1.221 1
1 984 . 16 1 1 A 86 86 ARG CB C 147 29.549 29.860 -0.311 1
1 987 . 16 1 1 A 86 86 ARG HA H 147 3.774 3.971 -0.197 1
1 992 . 16 1 1 A 86 86 ARG H H 147 7.971 7.846 0.125 1
1 993 . 16 1 1 A 86 86 ARG N N 147 118.395 119.034 -0.639 1
1 995 . 16 1 1 A 87 87 GLU CA C 148 59.392 58.911 0.481 1
1 996 . 16 1 1 A 87 87 GLU CB C 148 29.740 29.305 0.435 1
1 998 . 16 1 1 A 87 87 GLU HA H 148 4.120 4.090 0.030 1
1 1003 . 16 1 1 A 87 87 GLU H H 148 7.895 7.751 0.144 1
1 1004 . 16 1 1 A 87 87 GLU N N 148 116.934 118.700 -1.766 1
1 1005 . 16 1 1 A 88 88 GLU CA C 149 58.455 58.322 0.133 1
1 1006 . 16 1 1 A 88 88 GLU CB C 149 29.306 29.911 -0.605 1
1 1008 . 16 1 1 A 88 88 GLU HA H 149 4.279 4.138 0.141 1
1 1013 . 16 1 1 A 88 88 GLU H H 149 8.228 8.353 -0.125 1
1 1014 . 16 1 1 A 88 88 GLU N N 149 116.458 117.591 -1.133 1
1 1015 . 16 1 1 A 89 89 LEU CA C 150 57.767 54.761 3.006 1
1 1016 . 16 1 1 A 89 89 LEU CB C 150 42.450 42.683 -0.233 1
1 1020 . 16 1 1 A 89 89 LEU HA H 150 4.239 4.383 -0.144 1
1 1024 . 16 1 1 A 89 89 LEU H H 150 8.401 7.674 0.727 1
1 1025 . 16 1 1 A 89 89 LEU N N 150 117.854 117.773 0.081 1
1 1032 . 16 1 1 A 90 90 ASP CA C 151 56.503 56.403 0.100 1
1 1033 . 16 1 1 A 90 90 ASP CB C 151 42.435 40.926 1.509 1
1 1034 . 16 1 1 A 90 90 ASP HA H 151 5.034 4.647 0.387 1
1 1037 . 16 1 1 A 90 90 ASP H H 151 8.524 7.651 0.873 1
1 1038 . 16 1 1 A 90 90 ASP N N 151 118.978 119.454 -0.476 1
1 1039 . 16 1 1 A 91 91 LYS CA C 152 58.455 58.894 -0.439 1
1 1040 . 16 1 1 A 91 91 LYS CB C 152 33.021 32.444 0.577 1
1 1044 . 16 1 1 A 91 91 LYS HA H 152 4.279 4.078 0.201 1
1 1049 . 16 1 1 A 91 91 LYS H H 152 7.348 8.112 -0.764 1
1 1050 . 16 1 1 A 91 91 LYS N N 152 114.172 117.390 -3.218 1
1 1053 . 16 1 1 A 92 92 ILE CA C 153 61.448 62.304 -0.856 1
1 1054 . 16 1 1 A 92 92 ILE CB C 153 39.068 37.862 1.206 1
1 1058 . 16 1 1 A 92 92 ILE HA H 153 4.427 3.793 0.634 1
1 1062 . 16 1 1 A 92 92 ILE H H 153 7.597 7.908 -0.311 1
1 1063 . 16 1 1 A 92 92 ILE N N 153 114.441 121.004 -6.563 1
1 1070 . 16 1 1 A 93 93 THR CA C 154 65.433 63.804 1.629 1
1 1071 . 16 1 1 A 93 93 THR CB C 154 67.799 69.451 -1.652 1
1 1073 . 16 1 1 A 93 93 THR HA H 154 3.879 4.009 -0.130 1
1 1075 . 16 1 1 A 93 93 THR H H 154 8.195 7.509 0.686 1
1 1076 . 16 1 1 A 93 93 THR N N 154 110.253 112.798 -2.545 1
1 1080 . 16 1 1 A 94 94 ASP CA C 155 57.822 56.666 1.156 1
1 1081 . 16 1 1 A 94 94 ASP CB C 155 41.397 41.258 0.139 1
1 1082 . 16 1 1 A 94 94 ASP HA H 155 4.514 4.376 0.138 1
1 1085 . 16 1 1 A 94 94 ASP H H 155 8.474 7.966 0.508 1
1 1086 . 16 1 1 A 94 94 ASP N N 155 124.348 122.309 2.039 1
1 1087 . 16 1 1 A 95 95 ARG CA C 156 57.783 59.001 -1.218 1
1 1088 . 16 1 1 A 95 95 ARG CB C 156 29.386 29.818 -0.432 1
1 1091 . 16 1 1 A 95 95 ARG HA H 156 4.173 4.115 0.058 1
1 1096 . 16 1 1 A 95 95 ARG H H 156 7.680 8.188 -0.508 1
1 1097 . 16 1 1 A 95 95 ARG N N 156 117.839 116.813 1.026 1
1 1099 . 16 1 1 A 96 96 TRP CB C 157 29.856 29.885 -0.029 1
1 1105 . 16 1 1 A 96 96 TRP HA H 157 4.943 4.772 0.171 1
1 1112 . 16 1 1 A 96 96 TRP H H 157 7.880 7.584 0.296 1
1 1115 . 16 1 1 A 96 96 TRP N N 157 117.944 119.362 -1.418 1
1 1117 . 16 1 1 A 97 97 GLY CA C 158 46.688 46.281 0.407 1
1 1118 . 16 1 1 A 97 97 GLY HA2 H 158 4.411 4.021 0.390 1
1 1119 . 16 1 1 A 97 97 GLY HA3 H 158 4.249 4.041 0.208 1
1 1120 . 16 1 1 A 97 97 GLY H H 158 7.972 8.094 -0.122 1
1 1121 . 16 1 1 A 97 97 GLY N N 158 104.253 109.301 -5.048 1
1 1122 . 16 1 1 A 98 98 VAL CA C 159 60.417 59.231 1.186 1
1 1123 . 16 1 1 A 98 98 VAL CB C 159 36.365 35.008 1.357 1
1 1126 . 16 1 1 A 98 98 VAL HA H 159 5.012 4.702 0.310 1
1 1128 . 16 1 1 A 98 98 VAL H H 159 7.468 7.654 -0.186 1
1 1129 . 16 1 1 A 98 98 VAL N N 159 115.979 120.564 -4.585 1
1 1136 . 16 1 1 A 99 99 LYS CA C 160 53.521 54.398 -0.877 1
1 1137 . 16 1 1 A 99 99 LYS CB C 160 36.083 36.196 -0.113 1
1 1141 . 16 1 1 A 99 99 LYS HA H 160 5.053 5.085 -0.032 1
1 1148 . 16 1 1 A 99 99 LYS H H 160 9.259 8.611 0.648 1
1 1149 . 16 1 1 A 99 99 LYS N N 160 126.977 127.404 -0.427 1
1 1151 . 16 1 1 A 100 100 ILE CB C 161 35.185 37.028 -1.843 1
1 1155 . 16 1 1 A 100 100 ILE HA H 161 4.896 4.353 0.543 1
1 1159 . 16 1 1 A 100 100 ILE H H 161 9.310 8.975 0.335 1
1 1160 . 16 1 1 A 100 100 ILE N N 161 127.468 127.280 0.188 1
1 1167 . 16 1 1 A 101 101 THR CA C 162 63.075 65.797 -2.722 1
1 1168 . 16 1 1 A 101 101 THR CB C 162 67.345 68.489 -1.144 1
1 1170 . 16 1 1 A 101 101 THR HA H 162 4.254 4.089 0.165 1
1 1172 . 16 1 1 A 101 101 THR H H 162 8.783 8.194 0.589 1
1 1173 . 16 1 1 A 101 101 THR N N 162 120.609 120.749 -0.140 1
1 1177 . 16 1 1 A 102 102 ARG CA C 163 55.929 54.842 1.087 1
1 1178 . 16 1 1 A 102 102 ARG CB C 163 32.468 32.300 0.168 1
1 1181 . 16 1 1 A 102 102 ARG HA H 163 4.606 4.693 -0.087 1
1 1188 . 16 1 1 A 102 102 ARG H H 163 7.669 7.678 -0.009 1
1 1189 . 16 1 1 A 102 102 ARG N N 163 118.258 117.908 0.350 1
1 1190 . 16 1 1 A 103 103 VAL CB C 164 35.090 35.072 0.018 1
1 1193 . 16 1 1 A 103 103 VAL HA H 164 4.886 4.750 0.136 1
1 1195 . 16 1 1 A 103 103 VAL H H 164 8.700 8.380 0.320 1
1 1196 . 16 1 1 A 103 103 VAL N N 164 122.135 119.302 2.833 1
1 1203 . 16 1 1 A 104 104 GLU CA C 165 54.469 54.564 -0.095 1
1 1204 . 16 1 1 A 104 104 GLU CB C 165 33.028 33.056 -0.028 1
1 1206 . 16 1 1 A 104 104 GLU HA H 165 4.835 4.849 -0.014 1
1 1209 . 16 1 1 A 104 104 GLU H H 165 9.011 8.811 0.200 1
1 1210 . 16 1 1 A 104 104 GLU N N 165 123.789 126.208 -2.419 1
1 1212 . 16 1 1 A 105 105 ILE CA C 166 61.576 60.055 1.521 1
1 1213 . 16 1 1 A 105 105 ILE CB C 166 37.908 40.222 -2.314 1
1 1217 . 16 1 1 A 105 105 ILE HA H 166 4.525 4.714 -0.189 1
1 1219 . 16 1 1 A 105 105 ILE H H 166 9.869 8.820 1.049 1
1 1220 . 16 1 1 A 105 105 ILE N N 166 130.058 124.579 5.479 1
1 1229 . 16 1 1 A 106 106 GLN CA C 167 55.964 54.111 1.853 1
1 1230 . 16 1 1 A 106 106 GLN CB C 167 28.789 30.856 -2.067 1
1 1232 . 16 1 1 A 106 106 GLN HA H 167 4.661 4.671 -0.010 1
1 1239 . 16 1 1 A 106 106 GLN H H 167 8.573 8.341 0.232 1
1 1240 . 16 1 1 A 106 106 GLN N N 167 127.576 125.221 2.355 1
1 1242 . 16 1 1 A 107 107 ARG CA C 168 56.113 57.355 -1.242 1
1 1243 . 16 1 1 A 107 107 ARG CB C 168 32.098 31.033 1.065 1
1 1246 . 16 1 1 A 107 107 ARG HA H 168 4.468 4.291 0.177 1
1 1251 . 16 1 1 A 107 107 ARG H H 168 8.762 8.323 0.439 1
1 1252 . 16 1 1 A 107 107 ARG N N 168 122.725 121.558 1.167 1
1 1254 . 16 1 1 A 108 108 ILE CA C 169 61.618 59.522 2.096 1
1 1255 . 16 1 1 A 108 108 ILE CB C 169 39.583 41.106 -1.523 1
1 1259 . 16 1 1 A 108 108 ILE HA H 169 4.451 4.926 -0.475 1
1 1263 . 16 1 1 A 108 108 ILE H H 169 7.996 8.394 -0.398 1
1 1264 . 16 1 1 A 108 108 ILE N N 169 120.383 122.234 -1.851 1
1 1271 . 16 1 1 A 109 109 ASP CA C 170 51.571 50.130 1.441 1
1 1272 . 16 1 1 A 109 109 ASP CB C 170 42.763 42.219 0.544 1
1 1273 . 16 1 1 A 109 109 ASP HA H 170 5.579 5.117 0.462 1
1 1276 . 16 1 1 A 109 109 ASP H H 170 9.067 8.643 0.424 1
1 1277 . 16 1 1 A 109 109 ASP N N 170 126.604 123.963 2.641 1
1 1278 . 16 1 1 A 110 110 PRO CA C 171 61.302 61.490 -0.188 1
1 1279 . 16 1 1 A 110 110 PRO CB C 171 30.857 31.588 -0.731 1
1 1282 . 16 1 1 A 110 110 PRO HA H 171 5.081 4.728 0.353 1
1 1288 . 16 1 1 A 111 111 PRO CA C 172 63.367 62.542 0.825 1
1 1289 . 16 1 1 A 111 111 PRO CB C 172 32.050 32.479 -0.429 1
1 1292 . 16 1 1 A 111 111 PRO HA H 172 4.568 4.603 -0.035 1
1 1298 . 16 1 1 A 112 112 LYS CA C 173 55.951 59.026 -3.075 1
1 1299 . 16 1 1 A 112 112 LYS CB C 173 33.412 31.853 1.559 1
1 1303 . 16 1 1 A 112 112 LYS HA H 173 4.465 3.994 0.471 1
1 1306 . 16 1 1 A 112 112 LYS H H 173 8.533 8.540 -0.007 1
1 1307 . 16 1 1 A 112 112 LYS N N 173 122.499 121.961 0.538 1
1 1 . 17 1 1 A 2 2 SER HA H 63 4.660 5.134 -0.474 1
1 4 . 17 1 1 A 2 2 SER CB C 63 63.645 64.362 -0.717 1
1 5 . 17 1 1 A 3 3 ASP HA H 64 4.688 4.395 0.293 1
1 8 . 17 1 1 A 3 3 ASP H H 64 8.603 8.894 -0.291 1
1 9 . 17 1 1 A 3 3 ASP CA C 64 54.354 56.837 -2.483 1
1 10 . 17 1 1 A 3 3 ASP CB C 64 40.980 39.974 1.006 1
1 11 . 17 1 1 A 3 3 ASP N N 64 122.069 124.468 -2.399 1
1 12 . 17 1 1 A 4 4 HIS HA H 65 4.735 4.599 0.136 1
1 17 . 17 1 1 A 4 4 HIS H H 65 8.354 7.644 0.710 1
1 18 . 17 1 1 A 4 4 HIS CA C 65 56.220 57.098 -0.878 1
1 19 . 17 1 1 A 4 4 HIS CB C 65 30.570 30.086 0.484 1
1 22 . 17 1 1 A 4 4 HIS N N 65 119.219 117.374 1.845 1
1 29 . 17 1 1 A 5 5 VAL HA H 66 4.183 4.493 -0.310 1
1 31 . 17 1 1 A 5 5 VAL H H 66 8.073 8.821 -0.748 1
1 32 . 17 1 1 A 5 5 VAL CA C 66 62.127 60.457 1.670 1
1 33 . 17 1 1 A 5 5 VAL CB C 66 32.960 31.632 1.328 1
1 36 . 17 1 1 A 5 5 VAL N N 66 121.775 117.206 4.569 1
1 37 . 17 1 1 A 6 6 ASP CA C 67 53.727 54.299 -0.572 1
1 38 . 17 1 1 A 6 6 ASP CB C 67 41.472 41.931 -0.459 1
1 39 . 17 1 1 A 6 6 ASP HA H 67 4.771 4.669 0.102 1
1 42 . 17 1 1 A 6 6 ASP H H 67 8.615 7.760 0.855 1
1 43 . 17 1 1 A 6 6 ASP N N 67 124.725 123.561 1.164 1
1 44 . 17 1 1 A 7 7 LEU CA C 68 54.586 54.470 0.116 1
1 45 . 17 1 1 A 7 7 LEU CB C 68 41.657 40.066 1.591 1
1 49 . 17 1 1 A 7 7 LEU HA H 68 4.556 4.354 0.202 1
1 53 . 17 1 1 A 7 7 LEU H H 68 8.441 8.446 -0.005 1
1 54 . 17 1 1 A 7 7 LEU N N 68 123.747 123.324 0.423 1
1 61 . 17 1 1 A 8 8 ARG CA C 69 56.247 54.983 1.264 1
1 62 . 17 1 1 A 8 8 ARG CB C 69 30.828 31.074 -0.246 1
1 65 . 17 1 1 A 8 8 ARG HA H 69 4.253 4.652 -0.399 1
1 70 . 17 1 1 A 8 8 ARG H H 69 8.209 8.695 -0.486 1
1 71 . 17 1 1 A 8 8 ARG N N 69 121.063 122.571 -1.508 1
1 73 . 17 1 1 A 9 9 GLU CA C 70 55.691 54.987 0.704 1
1 74 . 17 1 1 A 9 9 GLU CB C 70 31.777 31.710 0.067 1
1 76 . 17 1 1 A 9 9 GLU HA H 70 4.655 4.874 -0.219 1
1 79 . 17 1 1 A 9 9 GLU H H 70 8.338 8.784 -0.446 1
1 80 . 17 1 1 A 9 9 GLU N N 70 121.677 123.056 -1.379 1
1 82 . 17 1 1 A 10 10 HIS CA C 71 54.619 53.747 0.872 1
1 83 . 17 1 1 A 10 10 HIS CB C 71 32.189 32.677 -0.488 1
1 86 . 17 1 1 A 10 10 HIS HA H 71 4.716 4.999 -0.283 1
1 91 . 17 1 1 A 10 10 HIS H H 71 9.043 8.889 0.154 1
1 92 . 17 1 1 A 10 10 HIS N N 71 125.575 120.230 5.345 1
1 93 . 17 1 1 A 11 11 VAL CA C 72 60.567 60.274 0.293 1
1 94 . 17 1 1 A 11 11 VAL CB C 72 35.380 33.939 1.441 1
1 97 . 17 1 1 A 11 11 VAL HA H 72 4.951 4.598 0.353 1
1 99 . 17 1 1 A 11 11 VAL H H 72 8.218 8.751 -0.533 1
1 100 . 17 1 1 A 11 11 VAL N N 72 117.348 122.365 -5.017 1
1 107 . 17 1 1 A 12 12 ILE CA C 73 59.857 59.856 0.001 1
1 108 . 17 1 1 A 12 12 ILE CB C 73 41.969 39.084 2.885 1
1 112 . 17 1 1 A 12 12 ILE HA H 73 4.464 4.901 -0.437 1
1 116 . 17 1 1 A 12 12 ILE H H 73 9.272 9.281 -0.009 1
1 117 . 17 1 1 A 12 12 ILE N N 73 126.908 129.634 -2.726 1
1 124 . 17 1 1 A 13 13 ASP CB C 74 41.534 41.416 0.118 1
1 125 . 17 1 1 A 13 13 ASP HA H 74 4.885 5.021 -0.136 1
1 128 . 17 1 1 A 13 13 ASP H H 74 8.501 8.869 -0.368 1
1 129 . 17 1 1 A 13 13 ASP N N 74 126.253 128.565 -2.312 1
1 130 . 17 1 1 A 14 14 VAL CA C 75 59.550 58.584 0.966 1
1 131 . 17 1 1 A 14 14 VAL CB C 75 32.270 34.204 -1.934 1
1 134 . 17 1 1 A 14 14 VAL HA H 75 4.491 4.820 -0.329 1
1 136 . 17 1 1 A 14 14 VAL H H 75 8.758 8.952 -0.194 1
1 137 . 17 1 1 A 14 14 VAL N N 75 124.997 123.788 1.209 1
1 144 . 17 1 1 A 15 15 PRO CB C 76 30.981 31.720 -0.739 1
1 147 . 17 1 1 A 15 15 PRO HA H 76 4.837 4.674 0.163 1
1 153 . 17 1 1 A 16 16 PRO CB C 77 32.267 33.139 -0.872 1
1 156 . 17 1 1 A 16 16 PRO HA H 77 4.881 4.763 0.118 1
1 162 . 17 1 1 A 17 17 GLN CA C 78 53.332 54.994 -1.662 1
1 163 . 17 1 1 A 17 17 GLN CB C 78 33.352 32.079 1.273 1
1 165 . 17 1 1 A 17 17 GLN HA H 78 4.768 4.572 0.196 1
1 170 . 17 1 1 A 17 17 GLN H H 78 8.612 8.769 -0.157 1
1 171 . 17 1 1 A 17 17 GLN N N 78 119.550 121.342 -1.792 1
1 175 . 17 1 1 A 18 18 GLU CA C 79 55.955 56.554 -0.599 1
1 176 . 17 1 1 A 18 18 GLU CB C 79 30.087 30.130 -0.043 1
1 178 . 17 1 1 A 18 18 GLU HA H 79 5.070 4.675 0.395 1
1 183 . 17 1 1 A 18 18 GLU H H 79 8.626 8.752 -0.126 1
1 184 . 17 1 1 A 18 18 GLU N N 79 123.226 126.841 -3.615 1
1 185 . 17 1 1 A 19 19 VAL CA C 80 60.191 59.187 1.004 1
1 186 . 17 1 1 A 19 19 VAL CB C 80 34.901 35.106 -0.205 1
1 189 . 17 1 1 A 19 19 VAL HA H 80 4.562 4.832 -0.270 1
1 191 . 17 1 1 A 19 19 VAL H H 80 9.568 8.266 1.302 1
1 192 . 17 1 1 A 19 19 VAL N N 80 123.365 117.946 5.419 1
1 199 . 17 1 1 A 20 20 ILE CA C 81 60.810 61.483 -0.673 1
1 200 . 17 1 1 A 20 20 ILE CB C 81 39.198 37.141 2.057 1
1 204 . 17 1 1 A 20 20 ILE HA H 81 4.678 4.049 0.629 1
1 208 . 17 1 1 A 20 20 ILE H H 81 8.048 8.664 -0.616 1
1 209 . 17 1 1 A 20 20 ILE N N 81 122.564 124.788 -2.224 1
1 216 . 17 1 1 A 21 21 CYS CB C 82 29.386 28.689 0.697 1
1 217 . 17 1 1 A 21 21 CYS HA H 82 4.932 4.483 0.449 1
1 220 . 17 1 1 A 21 21 CYS H H 82 8.796 8.864 -0.068 1
1 221 . 17 1 1 A 21 21 CYS N N 82 125.960 126.660 -0.700 1
1 222 . 17 1 1 A 22 22 LYS CA C 83 59.330 59.144 0.186 1
1 223 . 17 1 1 A 22 22 LYS CB C 83 33.478 32.316 1.162 1
1 227 . 17 1 1 A 22 22 LYS HA H 83 4.096 4.031 0.065 1
1 234 . 17 1 1 A 22 22 LYS H H 83 8.735 8.646 0.089 1
1 235 . 17 1 1 A 22 22 LYS N N 83 123.785 124.718 -0.933 1
1 237 . 17 1 1 A 23 23 ASP CA C 84 53.011 53.105 -0.094 1
1 238 . 17 1 1 A 23 23 ASP CB C 84 38.642 39.537 -0.895 1
1 239 . 17 1 1 A 23 23 ASP HA H 84 4.694 4.561 0.133 1
1 242 . 17 1 1 A 23 23 ASP H H 84 8.667 7.952 0.715 1
1 243 . 17 1 1 A 23 23 ASP N N 84 112.676 114.703 -2.027 1
1 244 . 17 1 1 A 24 24 ASN CA C 85 54.989 54.429 0.560 1
1 245 . 17 1 1 A 24 24 ASN CB C 85 36.698 36.887 -0.189 1
1 246 . 17 1 1 A 24 24 ASN HA H 85 4.321 4.262 0.059 1
1 251 . 17 1 1 A 24 24 ASN H H 85 8.264 7.563 0.701 1
1 252 . 17 1 1 A 24 24 ASN N N 85 112.321 112.926 -0.605 1
1 254 . 17 1 1 A 25 25 VAL CA C 86 61.920 60.957 0.963 1
1 255 . 17 1 1 A 25 25 VAL CB C 86 33.581 34.195 -0.614 1
1 258 . 17 1 1 A 25 25 VAL HA H 86 4.247 4.420 -0.173 1
1 260 . 17 1 1 A 25 25 VAL H H 86 6.817 7.650 -0.833 1
1 261 . 17 1 1 A 25 25 VAL N N 86 117.663 118.770 -1.107 1
1 268 . 17 1 1 A 26 26 VAL CA C 87 62.127 62.969 -0.842 1
1 269 . 17 1 1 A 26 26 VAL CB C 87 32.468 30.945 1.523 1
1 272 . 17 1 1 A 26 26 VAL HA H 87 4.710 4.240 0.470 1
1 274 . 17 1 1 A 26 26 VAL H H 87 8.467 8.652 -0.185 1
1 275 . 17 1 1 A 26 26 VAL N N 87 128.149 127.978 0.171 1
1 282 . 17 1 1 A 27 27 VAL CA C 88 58.409 59.054 -0.645 1
1 283 . 17 1 1 A 27 27 VAL CB C 88 34.991 35.763 -0.772 1
1 286 . 17 1 1 A 27 27 VAL HA H 88 4.995 5.035 -0.040 1
1 288 . 17 1 1 A 27 27 VAL H H 88 8.983 8.843 0.140 1
1 289 . 17 1 1 A 27 27 VAL N N 88 119.421 120.865 -1.444 1
1 296 . 17 1 1 A 28 28 THR CA C 89 62.180 62.173 0.007 1
1 297 . 17 1 1 A 28 28 THR CB C 89 69.351 69.607 -0.256 1
1 299 . 17 1 1 A 28 28 THR HA H 89 5.249 4.957 0.292 1
1 301 . 17 1 1 A 28 28 THR H H 89 8.544 8.598 -0.054 1
1 302 . 17 1 1 A 28 28 THR N N 89 118.810 118.418 0.392 1
1 306 . 17 1 1 A 29 29 VAL CA C 90 58.826 59.813 -0.987 1
1 307 . 17 1 1 A 29 29 VAL CB C 90 36.035 33.501 2.534 1
1 310 . 17 1 1 A 29 29 VAL HA H 90 5.527 4.965 0.562 1
1 312 . 17 1 1 A 29 29 VAL H H 90 8.818 9.021 -0.203 1
1 313 . 17 1 1 A 29 29 VAL N N 90 123.670 123.344 0.326 1
1 320 . 17 1 1 A 30 30 ASP CA C 91 52.821 52.574 0.247 1
1 321 . 17 1 1 A 30 30 ASP CB C 91 42.960 44.431 -1.471 1
1 322 . 17 1 1 A 30 30 ASP HA H 91 4.785 5.574 -0.789 1
1 325 . 17 1 1 A 30 30 ASP H H 91 8.478 9.101 -0.623 1
1 326 . 17 1 1 A 30 30 ASP N N 91 125.411 122.715 2.696 1
1 327 . 17 1 1 A 31 31 ALA CA C 92 51.718 51.329 0.389 1
1 328 . 17 1 1 A 31 31 ALA CB C 92 22.216 23.707 -1.491 1
1 329 . 17 1 1 A 31 31 ALA HA H 92 5.268 4.858 0.410 1
1 330 . 17 1 1 A 31 31 ALA H H 92 8.075 8.502 -0.427 1
1 331 . 17 1 1 A 31 31 ALA N N 92 116.806 121.517 -4.711 1
1 335 . 17 1 1 A 32 32 VAL CB C 93 34.772 35.179 -0.407 1
1 338 . 17 1 1 A 32 32 VAL HA H 93 4.901 5.135 -0.234 1
1 340 . 17 1 1 A 32 32 VAL H H 93 8.306 8.845 -0.539 1
1 341 . 17 1 1 A 32 32 VAL N N 93 117.482 113.404 4.078 1
1 348 . 17 1 1 A 33 33 VAL CA C 94 61.058 61.172 -0.114 1
1 349 . 17 1 1 A 33 33 VAL CB C 94 34.773 35.004 -0.231 1
1 352 . 17 1 1 A 33 33 VAL HA H 94 4.515 4.661 -0.146 1
1 354 . 17 1 1 A 33 33 VAL H H 94 8.873 8.713 0.160 1
1 355 . 17 1 1 A 33 33 VAL N N 94 124.653 121.120 3.533 1
1 362 . 17 1 1 A 34 34 TYR CA C 95 56.333 57.612 -1.279 1
1 363 . 17 1 1 A 34 34 TYR CB C 95 40.336 40.893 -0.557 1
1 366 . 17 1 1 A 34 34 TYR HA H 95 5.834 5.424 0.410 1
1 371 . 17 1 1 A 34 34 TYR H H 95 8.989 8.900 0.089 1
1 372 . 17 1 1 A 34 34 TYR N N 95 126.081 127.043 -0.962 1
1 375 . 17 1 1 A 35 35 TYR CA C 96 55.679 56.610 -0.931 1
1 376 . 17 1 1 A 35 35 TYR CB C 96 42.824 41.052 1.772 1
1 379 . 17 1 1 A 35 35 TYR HA H 96 6.097 5.827 0.270 1
1 384 . 17 1 1 A 35 35 TYR H H 96 9.102 8.338 0.764 1
1 385 . 17 1 1 A 35 35 TYR N N 96 117.188 118.898 -1.710 1
1 388 . 17 1 1 A 36 36 GLN CB C 97 33.643 31.293 2.350 1
1 390 . 17 1 1 A 36 36 GLN HA H 97 4.942 4.847 0.095 1
1 395 . 17 1 1 A 36 36 GLN H H 97 9.441 8.358 1.083 1
1 396 . 17 1 1 A 36 36 GLN N N 97 118.000 119.283 -1.283 1
1 399 . 17 1 1 A 37 37 VAL CA C 98 63.621 63.403 0.218 1
1 400 . 17 1 1 A 37 37 VAL CB C 98 31.380 30.670 0.710 1
1 403 . 17 1 1 A 37 37 VAL HA H 98 4.286 4.064 0.222 1
1 405 . 17 1 1 A 37 37 VAL H H 98 9.692 8.965 0.727 1
1 406 . 17 1 1 A 37 37 VAL N N 98 126.436 124.314 2.122 1
1 413 . 17 1 1 A 38 38 ILE CA C 99 61.011 62.759 -1.748 1
1 414 . 17 1 1 A 38 38 ILE CB C 99 38.943 38.275 0.668 1
1 418 . 17 1 1 A 38 38 ILE HA H 99 4.514 4.136 0.378 1
1 422 . 17 1 1 A 38 38 ILE H H 99 8.540 8.253 0.287 1
1 423 . 17 1 1 A 38 38 ILE N N 99 123.480 124.020 -0.540 1
1 430 . 17 1 1 A 39 39 ASP CA C 100 50.850 50.996 -0.146 1
1 431 . 17 1 1 A 39 39 ASP CB C 100 41.979 42.041 -0.062 1
1 432 . 17 1 1 A 39 39 ASP HA H 100 5.326 5.010 0.316 1
1 435 . 17 1 1 A 39 39 ASP H H 100 8.135 7.762 0.373 1
1 436 . 17 1 1 A 39 39 ASP N N 100 119.056 122.484 -3.428 1
1 437 . 17 1 1 A 40 40 PRO CA C 101 64.279 65.267 -0.988 1
1 438 . 17 1 1 A 40 40 PRO CB C 101 32.510 31.973 0.537 1
1 441 . 17 1 1 A 40 40 PRO HA H 101 4.299 4.239 0.060 1
1 448 . 17 1 1 A 41 41 VAL CA C 102 65.120 65.475 -0.355 1
1 449 . 17 1 1 A 41 41 VAL CB C 102 31.406 31.292 0.114 1
1 452 . 17 1 1 A 41 41 VAL HA H 102 3.886 3.866 0.020 1
1 454 . 17 1 1 A 41 41 VAL H H 102 7.936 8.458 -0.522 1
1 455 . 17 1 1 A 41 41 VAL N N 102 118.168 115.965 2.203 1
1 462 . 17 1 1 A 42 42 LYS CA C 103 57.852 57.919 -0.067 1
1 463 . 17 1 1 A 42 42 LYS CB C 103 33.597 33.424 0.173 1
1 467 . 17 1 1 A 42 42 LYS HA H 103 4.242 4.373 -0.131 1
1 472 . 17 1 1 A 42 42 LYS H H 103 7.240 8.080 -0.840 1
1 473 . 17 1 1 A 42 42 LYS N N 103 118.280 120.809 -2.529 1
1 476 . 17 1 1 A 43 43 ALA CA C 104 53.615 52.052 1.563 1
1 477 . 17 1 1 A 43 43 ALA CB C 104 18.578 18.142 0.436 1
1 478 . 17 1 1 A 43 43 ALA HA H 104 4.632 3.861 0.771 1
1 479 . 17 1 1 A 43 43 ALA H H 104 7.702 8.044 -0.342 1
1 480 . 17 1 1 A 43 43 ALA N N 104 122.122 120.889 1.233 1
1 484 . 17 1 1 A 44 44 VAL CA C 105 62.530 63.787 -1.257 1
1 485 . 17 1 1 A 44 44 VAL CB C 105 31.680 31.539 0.141 1
1 488 . 17 1 1 A 44 44 VAL HA H 105 4.197 3.985 0.212 1
1 490 . 17 1 1 A 44 44 VAL H H 105 7.682 7.450 0.232 1
1 491 . 17 1 1 A 44 44 VAL N N 105 115.037 118.178 -3.141 1
1 498 . 17 1 1 A 45 45 TYR CA C 106 57.222 57.610 -0.388 1
1 499 . 17 1 1 A 45 45 TYR CB C 106 38.651 37.938 0.713 1
1 502 . 17 1 1 A 45 45 TYR HA H 106 4.652 4.688 -0.036 1
1 505 . 17 1 1 A 45 45 TYR H H 106 7.436 7.322 0.114 1
1 506 . 17 1 1 A 45 45 TYR N N 106 118.804 119.099 -0.295 1
1 510 . 17 1 1 A 46 46 ASN CB C 107 39.028 36.797 2.231 1
1 511 . 17 1 1 A 46 46 ASN HA H 107 4.959 4.352 0.607 1
1 516 . 17 1 1 A 46 46 ASN H H 107 8.614 8.078 0.536 1
1 517 . 17 1 1 A 46 46 ASN N N 107 118.495 113.839 4.656 1
1 519 . 17 1 1 A 47 47 VAL CA C 108 65.178 63.114 2.064 1
1 520 . 17 1 1 A 47 47 VAL CB C 108 32.022 29.611 2.411 1
1 523 . 17 1 1 A 47 47 VAL HA H 108 3.952 3.731 0.221 1
1 525 . 17 1 1 A 47 47 VAL H H 108 8.342 8.066 0.276 1
1 526 . 17 1 1 A 47 47 VAL N N 108 123.377 118.134 5.243 1
1 533 . 17 1 1 A 48 48 SER CA C 109 61.473 61.051 0.422 1
1 534 . 17 1 1 A 48 48 SER CB C 109 62.248 63.419 -1.171 1
1 535 . 17 1 1 A 48 48 SER HA H 109 4.298 4.570 -0.272 1
1 536 . 17 1 1 A 48 48 SER H H 109 8.353 7.971 0.382 1
1 537 . 17 1 1 A 48 48 SER N N 109 116.439 118.407 -1.968 1
1 539 . 17 1 1 A 49 49 ASP CA C 110 56.211 57.119 -0.908 1
1 540 . 17 1 1 A 49 49 ASP CB C 110 40.691 39.998 0.693 1
1 541 . 17 1 1 A 49 49 ASP HA H 110 4.534 4.423 0.111 1
1 542 . 17 1 1 A 49 49 ASP H H 110 7.832 8.210 -0.378 1
1 543 . 17 1 1 A 49 49 ASP N N 110 121.141 122.452 -1.311 1
1 545 . 17 1 1 A 50 50 PHE CA C 111 60.009 61.373 -1.364 1
1 546 . 17 1 1 A 50 50 PHE CB C 111 38.598 39.463 -0.865 1
1 550 . 17 1 1 A 50 50 PHE HA H 111 3.486 4.213 -0.727 1
1 555 . 17 1 1 A 50 50 PHE H H 111 8.044 8.256 -0.212 1
1 557 . 17 1 1 A 50 50 PHE N N 111 122.621 122.873 -0.252 1
1 560 . 17 1 1 A 51 51 LEU CA C 112 58.009 58.174 -0.165 1
1 561 . 17 1 1 A 51 51 LEU CB C 112 41.213 41.515 -0.302 1
1 565 . 17 1 1 A 51 51 LEU HA H 112 3.546 3.559 -0.013 1
1 569 . 17 1 1 A 51 51 LEU H H 112 8.046 8.651 -0.605 1
1 570 . 17 1 1 A 51 51 LEU N N 112 119.691 119.654 0.037 1
1 577 . 17 1 1 A 52 52 MET CA C 113 57.696 58.459 -0.763 1
1 578 . 17 1 1 A 52 52 MET CB C 113 32.289 32.200 0.089 1
1 581 . 17 1 1 A 52 52 MET HA H 113 4.231 4.106 0.125 1
1 586 . 17 1 1 A 52 52 MET H H 113 7.563 7.891 -0.328 1
1 587 . 17 1 1 A 52 52 MET N N 113 115.770 116.872 -1.102 1
1 591 . 17 1 1 A 53 53 ALA CA C 114 54.815 54.336 0.479 1
1 592 . 17 1 1 A 53 53 ALA CB C 114 18.369 18.557 -0.188 1
1 593 . 17 1 1 A 53 53 ALA HA H 114 4.199 4.159 0.040 1
1 594 . 17 1 1 A 53 53 ALA H H 114 7.878 8.509 -0.631 1
1 595 . 17 1 1 A 53 53 ALA N N 114 121.804 122.527 -0.723 1
1 599 . 17 1 1 A 54 54 ILE CA C 115 63.259 64.041 -0.782 1
1 600 . 17 1 1 A 54 54 ILE CB C 115 36.127 37.836 -1.709 1
1 604 . 17 1 1 A 54 54 ILE HA H 115 3.767 3.698 0.069 1
1 608 . 17 1 1 A 54 54 ILE H H 115 8.202 7.436 0.766 1
1 609 . 17 1 1 A 54 54 ILE N N 115 118.054 118.467 -0.413 1
1 616 . 17 1 1 A 55 55 VAL CA C 116 68.036 65.300 2.736 1
1 617 . 17 1 1 A 55 55 VAL CB C 116 31.463 31.288 0.175 1
1 620 . 17 1 1 A 55 55 VAL HA H 116 3.509 3.781 -0.272 1
1 622 . 17 1 1 A 55 55 VAL H H 116 7.961 7.849 0.112 1
1 623 . 17 1 1 A 55 55 VAL N N 116 121.095 116.469 4.626 1
1 630 . 17 1 1 A 56 56 LYS CA C 117 59.077 59.161 -0.084 1
1 631 . 17 1 1 A 56 56 LYS CB C 117 31.997 32.478 -0.481 1
1 635 . 17 1 1 A 56 56 LYS HA H 117 4.297 4.079 0.218 1
1 638 . 17 1 1 A 56 56 LYS H H 117 8.000 7.658 0.342 1
1 639 . 17 1 1 A 56 56 LYS N N 117 118.806 122.034 -3.228 1
1 643 . 17 1 1 A 57 57 LEU CA C 118 57.515 57.608 -0.093 1
1 644 . 17 1 1 A 57 57 LEU CB C 118 42.727 40.671 2.056 1
1 648 . 17 1 1 A 57 57 LEU HA H 118 4.286 4.101 0.185 1
1 652 . 17 1 1 A 57 57 LEU H H 118 8.390 7.598 0.792 1
1 653 . 17 1 1 A 57 57 LEU N N 118 120.738 120.143 0.595 1
1 660 . 17 1 1 A 58 58 ALA CA C 119 55.695 55.246 0.449 1
1 661 . 17 1 1 A 58 58 ALA CB C 119 17.984 17.803 0.181 1
1 662 . 17 1 1 A 58 58 ALA HA H 119 4.131 4.020 0.111 1
1 663 . 17 1 1 A 58 58 ALA H H 119 9.213 8.157 1.056 1
1 664 . 17 1 1 A 58 58 ALA N N 119 123.641 122.446 1.195 1
1 668 . 17 1 1 A 59 59 GLN CA C 120 60.234 59.134 1.100 1
1 669 . 17 1 1 A 59 59 GLN CB C 120 28.353 28.350 0.003 1
1 671 . 17 1 1 A 59 59 GLN HA H 120 3.972 4.031 -0.059 1
1 678 . 17 1 1 A 59 59 GLN H H 120 8.649 7.577 1.072 1
1 679 . 17 1 1 A 59 59 GLN N N 120 116.453 117.864 -1.411 1
1 681 . 17 1 1 A 60 60 THR CA C 121 66.360 66.385 -0.025 1
1 682 . 17 1 1 A 60 60 THR CB C 121 68.868 69.140 -0.272 1
1 684 . 17 1 1 A 60 60 THR HA H 121 4.076 3.979 0.097 1
1 686 . 17 1 1 A 60 60 THR H H 121 8.566 7.713 0.853 1
1 687 . 17 1 1 A 60 60 THR N N 121 115.479 116.594 -1.115 1
1 691 . 17 1 1 A 61 61 ASN CA C 122 57.397 56.212 1.185 1
1 692 . 17 1 1 A 61 61 ASN CB C 122 39.535 38.271 1.264 1
1 693 . 17 1 1 A 61 61 ASN HA H 122 4.626 4.440 0.186 1
1 698 . 17 1 1 A 61 61 ASN H H 122 8.433 8.519 -0.086 1
1 699 . 17 1 1 A 61 61 ASN N N 122 120.652 119.013 1.639 1
1 701 . 17 1 1 A 62 62 LEU CA C 123 58.804 58.486 0.318 1
1 702 . 17 1 1 A 62 62 LEU CB C 123 42.331 41.791 0.540 1
1 706 . 17 1 1 A 62 62 LEU HA H 123 4.068 3.985 0.083 1
1 710 . 17 1 1 A 62 62 LEU H H 123 8.837 8.448 0.389 1
1 711 . 17 1 1 A 62 62 LEU N N 123 121.425 117.643 3.782 1
1 718 . 17 1 1 A 63 63 ARG CA C 124 59.647 59.032 0.615 1
1 719 . 17 1 1 A 63 63 ARG CB C 124 30.112 29.977 0.135 1
1 722 . 17 1 1 A 63 63 ARG HA H 124 4.030 3.984 0.046 1
1 727 . 17 1 1 A 63 63 ARG H H 124 7.502 8.257 -0.755 1
1 728 . 17 1 1 A 63 63 ARG N N 124 116.156 119.695 -3.539 1
1 730 . 17 1 1 A 64 64 ALA CA C 125 54.793 54.898 -0.105 1
1 731 . 17 1 1 A 64 64 ALA CB C 125 18.471 18.971 -0.500 1
1 732 . 17 1 1 A 64 64 ALA HA H 125 4.260 4.043 0.217 1
1 733 . 17 1 1 A 64 64 ALA H H 125 7.637 8.273 -0.636 1
1 734 . 17 1 1 A 64 64 ALA N N 125 121.808 121.921 -0.113 1
1 738 . 17 1 1 A 65 65 ILE CA C 126 64.917 64.810 0.107 1
1 739 . 17 1 1 A 65 65 ILE CB C 126 39.599 37.886 1.713 1
1 743 . 17 1 1 A 65 65 ILE HA H 126 3.745 3.743 0.002 1
1 747 . 17 1 1 A 65 65 ILE H H 126 8.476 7.276 1.200 1
1 748 . 17 1 1 A 65 65 ILE N N 126 117.948 117.448 0.500 1
1 755 . 17 1 1 A 66 66 ILE CA C 127 64.704 64.734 -0.030 1
1 756 . 17 1 1 A 66 66 ILE CB C 127 37.188 37.616 -0.428 1
1 760 . 17 1 1 A 66 66 ILE HA H 127 3.826 3.743 0.083 1
1 764 . 17 1 1 A 66 66 ILE H H 127 8.130 8.111 0.019 1
1 765 . 17 1 1 A 66 66 ILE N N 127 118.919 119.600 -0.681 1
1 772 . 17 1 1 A 67 67 GLY CA C 128 46.401 46.788 -0.387 1
1 773 . 17 1 1 A 67 67 GLY HA2 H 128 4.437 3.982 0.455 1
1 774 . 17 1 1 A 67 67 GLY HA3 H 128 3.925 3.982 -0.057 1
1 775 . 17 1 1 A 67 67 GLY H H 128 7.683 7.695 -0.012 1
1 776 . 17 1 1 A 67 67 GLY N N 128 104.485 109.221 -4.736 1
1 777 . 17 1 1 A 68 68 GLU CA C 129 55.446 55.136 0.310 1
1 778 . 17 1 1 A 68 68 GLU CB C 129 30.672 31.392 -0.720 1
1 780 . 17 1 1 A 68 68 GLU HA H 129 4.589 4.889 -0.300 1
1 785 . 17 1 1 A 68 68 GLU H H 129 7.111 8.226 -1.115 1
1 786 . 17 1 1 A 68 68 GLU N N 129 115.084 116.367 -1.283 1
1 787 . 17 1 1 A 69 69 MET CA C 130 55.238 54.682 0.556 1
1 788 . 17 1 1 A 69 69 MET CB C 130 36.559 36.456 0.103 1
1 791 . 17 1 1 A 69 69 MET HA H 130 4.763 4.822 -0.059 1
1 796 . 17 1 1 A 69 69 MET H H 130 8.414 8.608 -0.194 1
1 797 . 17 1 1 A 69 69 MET N N 130 121.732 121.437 0.295 1
1 801 . 17 1 1 A 70 70 GLU CA C 131 56.474 54.662 1.812 1
1 802 . 17 1 1 A 70 70 GLU CB C 131 30.686 32.330 -1.644 1
1 804 . 17 1 1 A 70 70 GLU HA H 131 4.354 4.847 -0.493 1
1 809 . 17 1 1 A 70 70 GLU H H 131 9.395 8.624 0.771 1
1 810 . 17 1 1 A 70 70 GLU N N 131 122.754 119.699 3.055 1
1 811 . 17 1 1 A 71 71 LEU CA C 132 59.955 58.158 1.797 1
1 812 . 17 1 1 A 71 71 LEU CB C 132 40.900 41.990 -1.090 1
1 816 . 17 1 1 A 71 71 LEU HA H 132 4.454 3.986 0.468 1
1 820 . 17 1 1 A 71 71 LEU H H 132 10.320 8.418 1.902 1
1 821 . 17 1 1 A 71 71 LEU N N 132 127.791 128.639 -0.848 1
1 828 . 17 1 1 A 72 72 ASP CA C 133 57.961 56.976 0.985 1
1 829 . 17 1 1 A 72 72 ASP CB C 133 40.031 41.258 -1.227 1
1 830 . 17 1 1 A 72 72 ASP HA H 133 4.452 4.606 -0.154 1
1 831 . 17 1 1 A 72 72 ASP H H 133 9.283 8.453 0.830 1
1 832 . 17 1 1 A 72 72 ASP N N 133 117.573 117.435 0.138 1
1 834 . 17 1 1 A 73 73 GLU CA C 134 58.070 58.996 -0.926 1
1 835 . 17 1 1 A 73 73 GLU CB C 134 30.329 29.712 0.617 1
1 837 . 17 1 1 A 73 73 GLU HA H 134 4.166 4.106 0.060 1
1 842 . 17 1 1 A 73 73 GLU H H 134 7.307 8.197 -0.890 1
1 843 . 17 1 1 A 73 73 GLU N N 134 118.947 120.793 -1.846 1
1 844 . 17 1 1 A 74 74 THR CA C 135 67.017 64.790 2.227 1
1 845 . 17 1 1 A 74 74 THR CB C 135 68.224 68.687 -0.463 1
1 847 . 17 1 1 A 74 74 THR HA H 135 3.966 4.276 -0.310 1
1 849 . 17 1 1 A 74 74 THR H H 135 8.334 8.331 0.003 1
1 850 . 17 1 1 A 74 74 THR N N 135 116.702 113.911 2.791 1
1 854 . 17 1 1 A 75 75 LEU CA C 136 57.604 57.149 0.455 1
1 855 . 17 1 1 A 75 75 LEU CB C 136 41.375 43.126 -1.751 1
1 859 . 17 1 1 A 75 75 LEU HA H 136 4.164 4.175 -0.011 1
1 863 . 17 1 1 A 75 75 LEU H H 136 8.159 7.739 0.420 1
1 864 . 17 1 1 A 75 75 LEU N N 136 118.009 121.993 -3.984 1
1 871 . 17 1 1 A 76 76 SER CA C 137 58.446 57.065 1.381 1
1 872 . 17 1 1 A 76 76 SER CB C 137 63.709 64.036 -0.327 1
1 873 . 17 1 1 A 76 76 SER HA H 137 4.808 4.715 0.093 1
1 876 . 17 1 1 A 76 76 SER H H 137 7.713 8.085 -0.372 1
1 877 . 17 1 1 A 76 76 SER N N 137 111.428 112.254 -0.826 1
1 878 . 17 1 1 A 77 77 GLY CA C 138 46.311 45.561 0.750 1
1 879 . 17 1 1 A 77 77 GLY HA2 H 138 4.815 4.091 0.724 1
1 880 . 17 1 1 A 77 77 GLY HA3 H 138 3.860 4.092 -0.232 1
1 881 . 17 1 1 A 77 77 GLY H H 138 7.779 8.017 -0.238 1
1 882 . 17 1 1 A 77 77 GLY N N 138 112.185 111.821 0.364 1
1 883 . 17 1 1 A 78 78 ARG CA C 139 61.186 58.964 2.222 1
1 884 . 17 1 1 A 78 78 ARG CB C 139 29.871 29.608 0.263 1
1 887 . 17 1 1 A 78 78 ARG HA H 139 3.853 4.063 -0.210 1
1 892 . 17 1 1 A 78 78 ARG H H 139 8.311 8.033 0.278 1
1 893 . 17 1 1 A 78 78 ARG N N 139 121.172 118.275 2.897 1
1 895 . 17 1 1 A 79 79 ASP CA C 140 57.533 56.979 0.554 1
1 896 . 17 1 1 A 79 79 ASP CB C 140 39.905 40.305 -0.400 1
1 897 . 17 1 1 A 79 79 ASP HA H 140 4.630 4.366 0.264 1
1 900 . 17 1 1 A 79 79 ASP H H 140 8.749 8.524 0.225 1
1 901 . 17 1 1 A 79 79 ASP N N 140 114.843 118.749 -3.906 1
1 902 . 17 1 1 A 80 80 ILE CA C 141 63.732 64.479 -0.747 1
1 903 . 17 1 1 A 80 80 ILE CB C 141 38.239 37.829 0.410 1
1 907 . 17 1 1 A 80 80 ILE HA H 141 4.070 3.713 0.357 1
1 911 . 17 1 1 A 80 80 ILE H H 141 7.565 7.738 -0.173 1
1 912 . 17 1 1 A 80 80 ILE N N 141 121.986 120.067 1.919 1
1 919 . 17 1 1 A 81 81 ILE CA C 142 66.387 65.777 0.610 1
1 920 . 17 1 1 A 81 81 ILE CB C 142 38.194 37.743 0.451 1
1 924 . 17 1 1 A 81 81 ILE HA H 142 3.531 3.498 0.033 1
1 928 . 17 1 1 A 81 81 ILE H H 142 8.309 7.996 0.313 1
1 929 . 17 1 1 A 81 81 ILE N N 142 121.735 120.960 0.775 1
1 936 . 17 1 1 A 82 82 ASN CA C 143 56.121 56.455 -0.334 1
1 937 . 17 1 1 A 82 82 ASN CB C 143 38.023 38.358 -0.335 1
1 938 . 17 1 1 A 82 82 ASN HA H 143 4.369 4.417 -0.048 1
1 941 . 17 1 1 A 82 82 ASN H H 143 8.919 8.500 0.419 1
1 942 . 17 1 1 A 82 82 ASN N N 143 118.128 118.534 -0.406 1
1 946 . 17 1 1 A 83 83 ALA CA C 144 55.230 55.301 -0.071 1
1 947 . 17 1 1 A 83 83 ALA CB C 144 18.378 18.524 -0.146 1
1 948 . 17 1 1 A 83 83 ALA HA H 144 4.310 4.021 0.289 1
1 949 . 17 1 1 A 83 83 ALA H H 144 7.687 7.916 -0.229 1
1 950 . 17 1 1 A 83 83 ALA N N 144 122.048 122.095 -0.047 1
1 954 . 17 1 1 A 84 84 ARG CA C 145 58.842 59.275 -0.433 1
1 955 . 17 1 1 A 84 84 ARG CB C 145 30.415 29.998 0.417 1
1 958 . 17 1 1 A 84 84 ARG HA H 145 4.297 3.983 0.314 1
1 963 . 17 1 1 A 84 84 ARG H H 145 8.579 8.017 0.562 1
1 964 . 17 1 1 A 84 84 ARG N N 145 119.430 118.210 1.220 1
1 966 . 17 1 1 A 85 85 LEU CA C 146 57.861 57.776 0.085 1
1 967 . 17 1 1 A 85 85 LEU CB C 146 41.584 41.688 -0.104 1
1 971 . 17 1 1 A 85 85 LEU HA H 146 4.054 4.010 0.044 1
1 975 . 17 1 1 A 85 85 LEU H H 146 9.083 7.813 1.270 1
1 976 . 17 1 1 A 85 85 LEU N N 146 119.149 120.411 -1.262 1
1 983 . 17 1 1 A 86 86 ARG CA C 147 60.723 59.279 1.444 1
1 984 . 17 1 1 A 86 86 ARG CB C 147 29.549 29.874 -0.325 1
1 987 . 17 1 1 A 86 86 ARG HA H 147 3.774 4.003 -0.229 1
1 992 . 17 1 1 A 86 86 ARG H H 147 7.971 8.492 -0.521 1
1 993 . 17 1 1 A 86 86 ARG N N 147 118.395 118.958 -0.563 1
1 995 . 17 1 1 A 87 87 GLU CA C 148 59.392 59.129 0.263 1
1 996 . 17 1 1 A 87 87 GLU CB C 148 29.740 29.990 -0.250 1
1 998 . 17 1 1 A 87 87 GLU HA H 148 4.120 4.143 -0.023 1
1 1003 . 17 1 1 A 87 87 GLU H H 148 7.895 7.810 0.085 1
1 1004 . 17 1 1 A 87 87 GLU N N 148 116.934 119.217 -2.283 1
1 1005 . 17 1 1 A 88 88 GLU CA C 149 58.455 59.194 -0.739 1
1 1006 . 17 1 1 A 88 88 GLU CB C 149 29.306 29.345 -0.039 1
1 1008 . 17 1 1 A 88 88 GLU HA H 149 4.279 3.991 0.288 1
1 1013 . 17 1 1 A 88 88 GLU H H 149 8.228 8.497 -0.269 1
1 1014 . 17 1 1 A 88 88 GLU N N 149 116.458 120.534 -4.076 1
1 1015 . 17 1 1 A 89 89 LEU CA C 150 57.767 58.046 -0.279 1
1 1016 . 17 1 1 A 89 89 LEU CB C 150 42.450 41.461 0.989 1
1 1020 . 17 1 1 A 89 89 LEU HA H 150 4.239 3.945 0.294 1
1 1024 . 17 1 1 A 89 89 LEU H H 150 8.401 8.251 0.150 1
1 1025 . 17 1 1 A 89 89 LEU N N 150 117.854 120.613 -2.759 1
1 1032 . 17 1 1 A 90 90 ASP CA C 151 56.503 56.344 0.159 1
1 1033 . 17 1 1 A 90 90 ASP CB C 151 42.435 41.084 1.351 1
1 1034 . 17 1 1 A 90 90 ASP HA H 151 5.034 4.575 0.459 1
1 1037 . 17 1 1 A 90 90 ASP H H 151 8.524 7.808 0.716 1
1 1038 . 17 1 1 A 90 90 ASP N N 151 118.978 119.530 -0.552 1
1 1039 . 17 1 1 A 91 91 LYS CA C 152 58.455 57.861 0.594 1
1 1040 . 17 1 1 A 91 91 LYS CB C 152 33.021 33.031 -0.010 1
1 1044 . 17 1 1 A 91 91 LYS HA H 152 4.279 4.232 0.047 1
1 1049 . 17 1 1 A 91 91 LYS H H 152 7.348 7.950 -0.602 1
1 1050 . 17 1 1 A 91 91 LYS N N 152 114.172 117.382 -3.210 1
1 1053 . 17 1 1 A 92 92 ILE CA C 153 61.448 62.938 -1.490 1
1 1054 . 17 1 1 A 92 92 ILE CB C 153 39.068 37.314 1.754 1
1 1058 . 17 1 1 A 92 92 ILE HA H 153 4.427 3.584 0.843 1
1 1062 . 17 1 1 A 92 92 ILE H H 153 7.597 7.740 -0.143 1
1 1063 . 17 1 1 A 92 92 ILE N N 153 114.441 120.725 -6.284 1
1 1070 . 17 1 1 A 93 93 THR CA C 154 65.433 64.447 0.986 1
1 1071 . 17 1 1 A 93 93 THR CB C 154 67.799 69.189 -1.390 1
1 1073 . 17 1 1 A 93 93 THR HA H 154 3.879 4.029 -0.150 1
1 1075 . 17 1 1 A 93 93 THR H H 154 8.195 7.394 0.801 1
1 1076 . 17 1 1 A 93 93 THR N N 154 110.253 112.397 -2.144 1
1 1080 . 17 1 1 A 94 94 ASP CA C 155 57.822 56.546 1.276 1
1 1081 . 17 1 1 A 94 94 ASP CB C 155 41.397 41.288 0.109 1
1 1082 . 17 1 1 A 94 94 ASP HA H 155 4.514 4.457 0.057 1
1 1085 . 17 1 1 A 94 94 ASP H H 155 8.474 7.813 0.661 1
1 1086 . 17 1 1 A 94 94 ASP N N 155 124.348 121.884 2.464 1
1 1087 . 17 1 1 A 95 95 ARG CA C 156 57.783 58.368 -0.585 1
1 1088 . 17 1 1 A 95 95 ARG CB C 156 29.386 30.126 -0.740 1
1 1091 . 17 1 1 A 95 95 ARG HA H 156 4.173 4.181 -0.008 1
1 1096 . 17 1 1 A 95 95 ARG H H 156 7.680 8.103 -0.423 1
1 1097 . 17 1 1 A 95 95 ARG N N 156 117.839 116.834 1.005 1
1 1099 . 17 1 1 A 96 96 TRP CB C 157 29.856 29.829 0.027 1
1 1105 . 17 1 1 A 96 96 TRP HA H 157 4.943 4.782 0.161 1
1 1112 . 17 1 1 A 96 96 TRP H H 157 7.880 7.557 0.323 1
1 1115 . 17 1 1 A 96 96 TRP N N 157 117.944 118.886 -0.942 1
1 1117 . 17 1 1 A 97 97 GLY CA C 158 46.688 46.058 0.630 1
1 1118 . 17 1 1 A 97 97 GLY HA2 H 158 4.411 3.996 0.415 1
1 1119 . 17 1 1 A 97 97 GLY HA3 H 158 4.249 4.014 0.235 1
1 1120 . 17 1 1 A 97 97 GLY H H 158 7.972 8.036 -0.064 1
1 1121 . 17 1 1 A 97 97 GLY N N 158 104.253 109.059 -4.806 1
1 1122 . 17 1 1 A 98 98 VAL CA C 159 60.417 59.438 0.979 1
1 1123 . 17 1 1 A 98 98 VAL CB C 159 36.365 34.694 1.671 1
1 1126 . 17 1 1 A 98 98 VAL HA H 159 5.012 4.561 0.451 1
1 1128 . 17 1 1 A 98 98 VAL H H 159 7.468 7.656 -0.188 1
1 1129 . 17 1 1 A 98 98 VAL N N 159 115.979 120.821 -4.842 1
1 1136 . 17 1 1 A 99 99 LYS CA C 160 53.521 54.430 -0.909 1
1 1137 . 17 1 1 A 99 99 LYS CB C 160 36.083 36.079 0.004 1
1 1141 . 17 1 1 A 99 99 LYS HA H 160 5.053 5.058 -0.005 1
1 1148 . 17 1 1 A 99 99 LYS H H 160 9.259 8.929 0.330 1
1 1149 . 17 1 1 A 99 99 LYS N N 160 126.977 127.204 -0.227 1
1 1151 . 17 1 1 A 100 100 ILE CB C 161 35.185 37.199 -2.014 1
1 1155 . 17 1 1 A 100 100 ILE HA H 161 4.896 4.372 0.524 1
1 1159 . 17 1 1 A 100 100 ILE H H 161 9.310 8.970 0.340 1
1 1160 . 17 1 1 A 100 100 ILE N N 161 127.468 127.326 0.142 1
1 1167 . 17 1 1 A 101 101 THR CA C 162 63.075 66.475 -3.400 1
1 1168 . 17 1 1 A 101 101 THR CB C 162 67.345 69.038 -1.693 1
1 1170 . 17 1 1 A 101 101 THR HA H 162 4.254 3.930 0.324 1
1 1172 . 17 1 1 A 101 101 THR H H 162 8.783 8.655 0.128 1
1 1173 . 17 1 1 A 101 101 THR N N 162 120.609 124.105 -3.496 1
1 1177 . 17 1 1 A 102 102 ARG CA C 163 55.929 54.941 0.988 1
1 1178 . 17 1 1 A 102 102 ARG CB C 163 32.468 32.233 0.235 1
1 1181 . 17 1 1 A 102 102 ARG HA H 163 4.606 4.688 -0.082 1
1 1188 . 17 1 1 A 102 102 ARG H H 163 7.669 7.677 -0.008 1
1 1189 . 17 1 1 A 102 102 ARG N N 163 118.258 113.914 4.344 1
1 1190 . 17 1 1 A 103 103 VAL CB C 164 35.090 35.517 -0.427 1
1 1193 . 17 1 1 A 103 103 VAL HA H 164 4.886 4.863 0.023 1
1 1195 . 17 1 1 A 103 103 VAL H H 164 8.700 8.257 0.443 1
1 1196 . 17 1 1 A 103 103 VAL N N 164 122.135 119.305 2.830 1
1 1203 . 17 1 1 A 104 104 GLU CA C 165 54.469 54.257 0.212 1
1 1204 . 17 1 1 A 104 104 GLU CB C 165 33.028 34.224 -1.196 1
1 1206 . 17 1 1 A 104 104 GLU HA H 165 4.835 5.048 -0.213 1
1 1209 . 17 1 1 A 104 104 GLU H H 165 9.011 8.419 0.592 1
1 1210 . 17 1 1 A 104 104 GLU N N 165 123.789 124.540 -0.751 1
1 1212 . 17 1 1 A 105 105 ILE CA C 166 61.576 59.706 1.870 1
1 1213 . 17 1 1 A 105 105 ILE CB C 166 37.908 40.331 -2.423 1
1 1217 . 17 1 1 A 105 105 ILE HA H 166 4.525 4.746 -0.221 1
1 1219 . 17 1 1 A 105 105 ILE H H 166 9.869 8.849 1.020 1
1 1220 . 17 1 1 A 105 105 ILE N N 166 130.058 123.843 6.215 1
1 1229 . 17 1 1 A 106 106 GLN CA C 167 55.964 54.123 1.841 1
1 1230 . 17 1 1 A 106 106 GLN CB C 167 28.789 31.157 -2.368 1
1 1232 . 17 1 1 A 106 106 GLN HA H 167 4.661 4.714 -0.053 1
1 1239 . 17 1 1 A 106 106 GLN H H 167 8.573 8.450 0.123 1
1 1240 . 17 1 1 A 106 106 GLN N N 167 127.576 125.002 2.574 1
1 1242 . 17 1 1 A 107 107 ARG CA C 168 56.113 57.109 -0.996 1
1 1243 . 17 1 1 A 107 107 ARG CB C 168 32.098 30.915 1.183 1
1 1246 . 17 1 1 A 107 107 ARG HA H 168 4.468 4.254 0.214 1
1 1251 . 17 1 1 A 107 107 ARG H H 168 8.762 8.236 0.526 1
1 1252 . 17 1 1 A 107 107 ARG N N 168 122.725 121.953 0.772 1
1 1254 . 17 1 1 A 108 108 ILE CA C 169 61.618 59.946 1.672 1
1 1255 . 17 1 1 A 108 108 ILE CB C 169 39.583 39.673 -0.090 1
1 1259 . 17 1 1 A 108 108 ILE HA H 169 4.451 4.654 -0.203 1
1 1263 . 17 1 1 A 108 108 ILE H H 169 7.996 8.556 -0.560 1
1 1264 . 17 1 1 A 108 108 ILE N N 169 120.383 125.465 -5.082 1
1 1271 . 17 1 1 A 109 109 ASP CA C 170 51.571 50.345 1.226 1
1 1272 . 17 1 1 A 109 109 ASP CB C 170 42.763 41.947 0.816 1
1 1273 . 17 1 1 A 109 109 ASP HA H 170 5.579 5.148 0.431 1
1 1276 . 17 1 1 A 109 109 ASP H H 170 9.067 8.512 0.555 1
1 1277 . 17 1 1 A 109 109 ASP N N 170 126.604 124.677 1.927 1
1 1278 . 17 1 1 A 110 110 PRO CA C 171 61.302 61.481 -0.179 1
1 1279 . 17 1 1 A 110 110 PRO CB C 171 30.857 31.610 -0.753 1
1 1282 . 17 1 1 A 110 110 PRO HA H 171 5.081 4.729 0.352 1
1 1288 . 17 1 1 A 111 111 PRO CA C 172 63.367 62.682 0.685 1
1 1289 . 17 1 1 A 111 111 PRO CB C 172 32.050 31.893 0.157 1
1 1292 . 17 1 1 A 111 111 PRO HA H 172 4.568 4.688 -0.120 1
1 1298 . 17 1 1 A 112 112 LYS CA C 173 55.951 54.635 1.316 1
1 1299 . 17 1 1 A 112 112 LYS CB C 173 33.412 35.192 -1.780 1
1 1303 . 17 1 1 A 112 112 LYS HA H 173 4.465 4.770 -0.305 1
1 1306 . 17 1 1 A 112 112 LYS H H 173 8.533 8.570 -0.037 1
1 1307 . 17 1 1 A 112 112 LYS N N 173 122.499 121.882 0.617 1
1 1 . 18 1 1 A 2 2 SER HA H 63 4.660 4.327 0.333 1
1 4 . 18 1 1 A 2 2 SER CB C 63 63.645 63.627 0.018 1
1 5 . 18 1 1 A 3 3 ASP HA H 64 4.688 4.413 0.275 1
1 8 . 18 1 1 A 3 3 ASP H H 64 8.603 8.630 -0.027 1
1 9 . 18 1 1 A 3 3 ASP CA C 64 54.354 57.870 -3.516 1
1 10 . 18 1 1 A 3 3 ASP CB C 64 40.980 40.878 0.102 1
1 11 . 18 1 1 A 3 3 ASP N N 64 122.069 126.410 -4.341 1
1 12 . 18 1 1 A 4 4 HIS HA H 65 4.735 4.694 0.041 1
1 17 . 18 1 1 A 4 4 HIS H H 65 8.354 7.875 0.479 1
1 18 . 18 1 1 A 4 4 HIS CA C 65 56.220 56.365 -0.145 1
1 19 . 18 1 1 A 4 4 HIS CB C 65 30.570 30.305 0.265 1
1 22 . 18 1 1 A 4 4 HIS N N 65 119.219 116.040 3.179 1
1 29 . 18 1 1 A 5 5 VAL HA H 66 4.183 4.870 -0.687 1
1 31 . 18 1 1 A 5 5 VAL H H 66 8.073 9.123 -1.050 1
1 32 . 18 1 1 A 5 5 VAL CA C 66 62.127 59.820 2.307 1
1 33 . 18 1 1 A 5 5 VAL CB C 66 32.960 34.786 -1.826 1
1 36 . 18 1 1 A 5 5 VAL N N 66 121.775 118.336 3.439 1
1 37 . 18 1 1 A 6 6 ASP CA C 67 53.727 53.450 0.277 1
1 38 . 18 1 1 A 6 6 ASP CB C 67 41.472 44.605 -3.133 1
1 39 . 18 1 1 A 6 6 ASP HA H 67 4.771 5.055 -0.284 1
1 42 . 18 1 1 A 6 6 ASP H H 67 8.615 8.738 -0.123 1
1 43 . 18 1 1 A 6 6 ASP N N 67 124.725 123.547 1.178 1
1 44 . 18 1 1 A 7 7 LEU CA C 68 54.586 54.172 0.414 1
1 45 . 18 1 1 A 7 7 LEU CB C 68 41.657 41.331 0.326 1
1 49 . 18 1 1 A 7 7 LEU HA H 68 4.556 4.509 0.047 1
1 53 . 18 1 1 A 7 7 LEU H H 68 8.441 9.061 -0.620 1
1 54 . 18 1 1 A 7 7 LEU N N 68 123.747 123.123 0.624 1
1 61 . 18 1 1 A 8 8 ARG CA C 69 56.247 56.120 0.127 1
1 62 . 18 1 1 A 8 8 ARG CB C 69 30.828 30.610 0.218 1
1 65 . 18 1 1 A 8 8 ARG HA H 69 4.253 4.019 0.234 1
1 70 . 18 1 1 A 8 8 ARG H H 69 8.209 7.457 0.752 1
1 71 . 18 1 1 A 8 8 ARG N N 69 121.063 121.205 -0.142 1
1 73 . 18 1 1 A 9 9 GLU CA C 70 55.691 54.251 1.440 1
1 74 . 18 1 1 A 9 9 GLU CB C 70 31.777 33.288 -1.511 1
1 76 . 18 1 1 A 9 9 GLU HA H 70 4.655 4.881 -0.226 1
1 79 . 18 1 1 A 9 9 GLU H H 70 8.338 8.644 -0.306 1
1 80 . 18 1 1 A 9 9 GLU N N 70 121.677 121.119 0.558 1
1 82 . 18 1 1 A 10 10 HIS CA C 71 54.619 54.094 0.525 1
1 83 . 18 1 1 A 10 10 HIS CB C 71 32.189 33.186 -0.997 1
1 86 . 18 1 1 A 10 10 HIS HA H 71 4.716 4.951 -0.235 1
1 91 . 18 1 1 A 10 10 HIS H H 71 9.043 8.559 0.484 1
1 92 . 18 1 1 A 10 10 HIS N N 71 125.575 119.211 6.364 1
1 93 . 18 1 1 A 11 11 VAL CA C 72 60.567 59.906 0.661 1
1 94 . 18 1 1 A 11 11 VAL CB C 72 35.380 33.654 1.726 1
1 97 . 18 1 1 A 11 11 VAL HA H 72 4.951 4.401 0.550 1
1 99 . 18 1 1 A 11 11 VAL H H 72 8.218 8.858 -0.640 1
1 100 . 18 1 1 A 11 11 VAL N N 72 117.348 122.521 -5.173 1
1 107 . 18 1 1 A 12 12 ILE CA C 73 59.857 59.901 -0.044 1
1 108 . 18 1 1 A 12 12 ILE CB C 73 41.969 39.557 2.412 1
1 112 . 18 1 1 A 12 12 ILE HA H 73 4.464 4.884 -0.420 1
1 116 . 18 1 1 A 12 12 ILE H H 73 9.272 9.406 -0.134 1
1 117 . 18 1 1 A 12 12 ILE N N 73 126.908 129.023 -2.115 1
1 124 . 18 1 1 A 13 13 ASP CB C 74 41.534 42.447 -0.913 1
1 125 . 18 1 1 A 13 13 ASP HA H 74 4.885 5.017 -0.132 1
1 128 . 18 1 1 A 13 13 ASP H H 74 8.501 9.025 -0.524 1
1 129 . 18 1 1 A 13 13 ASP N N 74 126.253 128.584 -2.331 1
1 130 . 18 1 1 A 14 14 VAL CA C 75 59.550 58.184 1.366 1
1 131 . 18 1 1 A 14 14 VAL CB C 75 32.270 34.805 -2.535 1
1 134 . 18 1 1 A 14 14 VAL HA H 75 4.491 4.763 -0.272 1
1 136 . 18 1 1 A 14 14 VAL H H 75 8.758 8.820 -0.062 1
1 137 . 18 1 1 A 14 14 VAL N N 75 124.997 125.723 -0.726 1
1 144 . 18 1 1 A 15 15 PRO CB C 76 30.981 31.665 -0.684 1
1 147 . 18 1 1 A 15 15 PRO HA H 76 4.837 4.712 0.125 1
1 153 . 18 1 1 A 16 16 PRO CB C 77 32.267 32.711 -0.444 1
1 156 . 18 1 1 A 16 16 PRO HA H 77 4.881 4.673 0.208 1
1 162 . 18 1 1 A 17 17 GLN CA C 78 53.332 54.916 -1.584 1
1 163 . 18 1 1 A 17 17 GLN CB C 78 33.352 32.263 1.089 1
1 165 . 18 1 1 A 17 17 GLN HA H 78 4.768 4.663 0.105 1
1 170 . 18 1 1 A 17 17 GLN H H 78 8.612 8.370 0.242 1
1 171 . 18 1 1 A 17 17 GLN N N 78 119.550 121.930 -2.380 1
1 175 . 18 1 1 A 18 18 GLU CA C 79 55.955 56.320 -0.365 1
1 176 . 18 1 1 A 18 18 GLU CB C 79 30.087 30.101 -0.014 1
1 178 . 18 1 1 A 18 18 GLU HA H 79 5.070 4.777 0.293 1
1 183 . 18 1 1 A 18 18 GLU H H 79 8.626 8.760 -0.134 1
1 184 . 18 1 1 A 18 18 GLU N N 79 123.226 127.168 -3.942 1
1 185 . 18 1 1 A 19 19 VAL CA C 80 60.191 60.914 -0.723 1
1 186 . 18 1 1 A 19 19 VAL CB C 80 34.901 34.590 0.311 1
1 189 . 18 1 1 A 19 19 VAL HA H 80 4.562 4.472 0.090 1
1 191 . 18 1 1 A 19 19 VAL H H 80 9.568 8.203 1.365 1
1 192 . 18 1 1 A 19 19 VAL N N 80 123.365 125.207 -1.842 1
1 199 . 18 1 1 A 20 20 ILE CA C 81 60.810 61.603 -0.793 1
1 200 . 18 1 1 A 20 20 ILE CB C 81 39.198 37.222 1.976 1
1 204 . 18 1 1 A 20 20 ILE HA H 81 4.678 4.065 0.613 1
1 208 . 18 1 1 A 20 20 ILE H H 81 8.048 8.690 -0.642 1
1 209 . 18 1 1 A 20 20 ILE N N 81 122.564 128.392 -5.828 1
1 216 . 18 1 1 A 21 21 CYS CB C 82 29.386 28.734 0.652 1
1 217 . 18 1 1 A 21 21 CYS HA H 82 4.932 4.483 0.449 1
1 220 . 18 1 1 A 21 21 CYS H H 82 8.796 9.202 -0.406 1
1 221 . 18 1 1 A 21 21 CYS N N 82 125.960 126.797 -0.837 1
1 222 . 18 1 1 A 22 22 LYS CA C 83 59.330 59.172 0.158 1
1 223 . 18 1 1 A 22 22 LYS CB C 83 33.478 32.318 1.160 1
1 227 . 18 1 1 A 22 22 LYS HA H 83 4.096 4.031 0.065 1
1 234 . 18 1 1 A 22 22 LYS H H 83 8.735 8.766 -0.031 1
1 235 . 18 1 1 A 22 22 LYS N N 83 123.785 124.936 -1.151 1
1 237 . 18 1 1 A 23 23 ASP CA C 84 53.011 53.075 -0.064 1
1 238 . 18 1 1 A 23 23 ASP CB C 84 38.642 40.661 -2.019 1
1 239 . 18 1 1 A 23 23 ASP HA H 84 4.694 4.748 -0.054 1
1 242 . 18 1 1 A 23 23 ASP H H 84 8.667 7.706 0.961 1
1 243 . 18 1 1 A 23 23 ASP N N 84 112.676 117.654 -4.978 1
1 244 . 18 1 1 A 24 24 ASN CA C 85 54.989 54.498 0.491 1
1 245 . 18 1 1 A 24 24 ASN CB C 85 36.698 36.804 -0.106 1
1 246 . 18 1 1 A 24 24 ASN HA H 85 4.321 4.256 0.065 1
1 251 . 18 1 1 A 24 24 ASN H H 85 8.264 7.583 0.681 1
1 252 . 18 1 1 A 24 24 ASN N N 85 112.321 113.455 -1.134 1
1 254 . 18 1 1 A 25 25 VAL CA C 86 61.920 61.172 0.748 1
1 255 . 18 1 1 A 25 25 VAL CB C 86 33.581 33.479 0.102 1
1 258 . 18 1 1 A 25 25 VAL HA H 86 4.247 4.388 -0.141 1
1 260 . 18 1 1 A 25 25 VAL H H 86 6.817 7.633 -0.816 1
1 261 . 18 1 1 A 25 25 VAL N N 86 117.663 118.635 -0.972 1
1 268 . 18 1 1 A 26 26 VAL CA C 87 62.127 61.926 0.201 1
1 269 . 18 1 1 A 26 26 VAL CB C 87 32.468 32.365 0.103 1
1 272 . 18 1 1 A 26 26 VAL HA H 87 4.710 4.533 0.177 1
1 274 . 18 1 1 A 26 26 VAL H H 87 8.467 8.739 -0.272 1
1 275 . 18 1 1 A 26 26 VAL N N 87 128.149 129.207 -1.058 1
1 282 . 18 1 1 A 27 27 VAL CA C 88 58.409 59.260 -0.851 1
1 283 . 18 1 1 A 27 27 VAL CB C 88 34.991 35.925 -0.934 1
1 286 . 18 1 1 A 27 27 VAL HA H 88 4.995 4.824 0.171 1
1 288 . 18 1 1 A 27 27 VAL H H 88 8.983 8.768 0.215 1
1 289 . 18 1 1 A 27 27 VAL N N 88 119.421 122.601 -3.180 1
1 296 . 18 1 1 A 28 28 THR CA C 89 62.180 62.782 -0.602 1
1 297 . 18 1 1 A 28 28 THR CB C 89 69.351 69.268 0.083 1
1 299 . 18 1 1 A 28 28 THR HA H 89 5.249 4.623 0.626 1
1 301 . 18 1 1 A 28 28 THR H H 89 8.544 8.774 -0.230 1
1 302 . 18 1 1 A 28 28 THR N N 89 118.810 119.307 -0.497 1
1 306 . 18 1 1 A 29 29 VAL CA C 90 58.826 59.822 -0.996 1
1 307 . 18 1 1 A 29 29 VAL CB C 90 36.035 34.462 1.573 1
1 310 . 18 1 1 A 29 29 VAL HA H 90 5.527 5.021 0.506 1
1 312 . 18 1 1 A 29 29 VAL H H 90 8.818 8.754 0.064 1
1 313 . 18 1 1 A 29 29 VAL N N 90 123.670 126.798 -3.128 1
1 320 . 18 1 1 A 30 30 ASP CA C 91 52.821 52.463 0.358 1
1 321 . 18 1 1 A 30 30 ASP CB C 91 42.960 45.204 -2.244 1
1 322 . 18 1 1 A 30 30 ASP HA H 91 4.785 5.473 -0.688 1
1 325 . 18 1 1 A 30 30 ASP H H 91 8.478 9.306 -0.828 1
1 326 . 18 1 1 A 30 30 ASP N N 91 125.411 126.678 -1.267 1
1 327 . 18 1 1 A 31 31 ALA CA C 92 51.718 51.288 0.430 1
1 328 . 18 1 1 A 31 31 ALA CB C 92 22.216 23.654 -1.438 1
1 329 . 18 1 1 A 31 31 ALA HA H 92 5.268 4.997 0.271 1
1 330 . 18 1 1 A 31 31 ALA H H 92 8.075 8.415 -0.340 1
1 331 . 18 1 1 A 31 31 ALA N N 92 116.806 120.569 -3.763 1
1 335 . 18 1 1 A 32 32 VAL CB C 93 34.772 33.800 0.972 1
1 338 . 18 1 1 A 32 32 VAL HA H 93 4.901 4.975 -0.074 1
1 340 . 18 1 1 A 32 32 VAL H H 93 8.306 8.973 -0.667 1
1 341 . 18 1 1 A 32 32 VAL N N 93 117.482 115.094 2.388 1
1 348 . 18 1 1 A 33 33 VAL CA C 94 61.058 60.786 0.272 1
1 349 . 18 1 1 A 33 33 VAL CB C 94 34.773 35.916 -1.143 1
1 352 . 18 1 1 A 33 33 VAL HA H 94 4.515 5.027 -0.512 1
1 354 . 18 1 1 A 33 33 VAL H H 94 8.873 8.225 0.648 1
1 355 . 18 1 1 A 33 33 VAL N N 94 124.653 121.936 2.717 1
1 362 . 18 1 1 A 34 34 TYR CA C 95 56.333 57.060 -0.727 1
1 363 . 18 1 1 A 34 34 TYR CB C 95 40.336 41.466 -1.130 1
1 366 . 18 1 1 A 34 34 TYR HA H 95 5.834 5.480 0.354 1
1 371 . 18 1 1 A 34 34 TYR H H 95 8.989 9.034 -0.045 1
1 372 . 18 1 1 A 34 34 TYR N N 95 126.081 126.905 -0.824 1
1 375 . 18 1 1 A 35 35 TYR CA C 96 55.679 56.651 -0.972 1
1 376 . 18 1 1 A 35 35 TYR CB C 96 42.824 40.958 1.866 1
1 379 . 18 1 1 A 35 35 TYR HA H 96 6.097 5.533 0.564 1
1 384 . 18 1 1 A 35 35 TYR H H 96 9.102 8.576 0.526 1
1 385 . 18 1 1 A 35 35 TYR N N 96 117.188 118.632 -1.444 1
1 388 . 18 1 1 A 36 36 GLN CB C 97 33.643 31.701 1.942 1
1 390 . 18 1 1 A 36 36 GLN HA H 97 4.942 4.922 0.020 1
1 395 . 18 1 1 A 36 36 GLN H H 97 9.441 8.470 0.971 1
1 396 . 18 1 1 A 36 36 GLN N N 97 118.000 119.404 -1.404 1
1 399 . 18 1 1 A 37 37 VAL CA C 98 63.621 63.439 0.182 1
1 400 . 18 1 1 A 37 37 VAL CB C 98 31.380 31.009 0.371 1
1 403 . 18 1 1 A 37 37 VAL HA H 98 4.286 4.022 0.264 1
1 405 . 18 1 1 A 37 37 VAL H H 98 9.692 8.993 0.699 1
1 406 . 18 1 1 A 37 37 VAL N N 98 126.436 124.113 2.323 1
1 413 . 18 1 1 A 38 38 ILE CA C 99 61.011 61.658 -0.647 1
1 414 . 18 1 1 A 38 38 ILE CB C 99 38.943 37.706 1.237 1
1 418 . 18 1 1 A 38 38 ILE HA H 99 4.514 4.176 0.338 1
1 422 . 18 1 1 A 38 38 ILE H H 99 8.540 8.368 0.172 1
1 423 . 18 1 1 A 38 38 ILE N N 99 123.480 123.532 -0.052 1
1 430 . 18 1 1 A 39 39 ASP CA C 100 50.850 51.630 -0.780 1
1 431 . 18 1 1 A 39 39 ASP CB C 100 41.979 42.202 -0.223 1
1 432 . 18 1 1 A 39 39 ASP HA H 100 5.326 4.905 0.421 1
1 435 . 18 1 1 A 39 39 ASP H H 100 8.135 7.751 0.384 1
1 436 . 18 1 1 A 39 39 ASP N N 100 119.056 121.165 -2.109 1
1 437 . 18 1 1 A 40 40 PRO CA C 101 64.279 65.632 -1.353 1
1 438 . 18 1 1 A 40 40 PRO CB C 101 32.510 31.943 0.567 1
1 441 . 18 1 1 A 40 40 PRO HA H 101 4.299 4.286 0.013 1
1 448 . 18 1 1 A 41 41 VAL CA C 102 65.120 64.801 0.319 1
1 449 . 18 1 1 A 41 41 VAL CB C 102 31.406 31.238 0.168 1
1 452 . 18 1 1 A 41 41 VAL HA H 102 3.886 3.823 0.063 1
1 454 . 18 1 1 A 41 41 VAL H H 102 7.936 7.845 0.091 1
1 455 . 18 1 1 A 41 41 VAL N N 102 118.168 117.116 1.052 1
1 462 . 18 1 1 A 42 42 LYS CA C 103 57.852 59.425 -1.573 1
1 463 . 18 1 1 A 42 42 LYS CB C 103 33.597 32.927 0.670 1
1 467 . 18 1 1 A 42 42 LYS HA H 103 4.242 4.188 0.054 1
1 472 . 18 1 1 A 42 42 LYS H H 103 7.240 7.854 -0.614 1
1 473 . 18 1 1 A 42 42 LYS N N 103 118.280 121.679 -3.399 1
1 476 . 18 1 1 A 43 43 ALA CA C 104 53.615 51.197 2.418 1
1 477 . 18 1 1 A 43 43 ALA CB C 104 18.578 17.429 1.149 1
1 478 . 18 1 1 A 43 43 ALA HA H 104 4.632 4.307 0.325 1
1 479 . 18 1 1 A 43 43 ALA H H 104 7.702 7.741 -0.039 1
1 480 . 18 1 1 A 43 43 ALA N N 104 122.122 121.241 0.881 1
1 484 . 18 1 1 A 44 44 VAL CA C 105 62.530 63.334 -0.804 1
1 485 . 18 1 1 A 44 44 VAL CB C 105 31.680 32.118 -0.438 1
1 488 . 18 1 1 A 44 44 VAL HA H 105 4.197 4.139 0.058 1
1 490 . 18 1 1 A 44 44 VAL H H 105 7.682 7.836 -0.154 1
1 491 . 18 1 1 A 44 44 VAL N N 105 115.037 119.923 -4.886 1
1 498 . 18 1 1 A 45 45 TYR CA C 106 57.222 57.742 -0.520 1
1 499 . 18 1 1 A 45 45 TYR CB C 106 38.651 37.996 0.655 1
1 502 . 18 1 1 A 45 45 TYR HA H 106 4.652 4.565 0.087 1
1 505 . 18 1 1 A 45 45 TYR H H 106 7.436 7.447 -0.011 1
1 506 . 18 1 1 A 45 45 TYR N N 106 118.804 119.635 -0.831 1
1 510 . 18 1 1 A 46 46 ASN CB C 107 39.028 37.009 2.019 1
1 511 . 18 1 1 A 46 46 ASN HA H 107 4.959 4.330 0.629 1
1 516 . 18 1 1 A 46 46 ASN H H 107 8.614 8.067 0.547 1
1 517 . 18 1 1 A 46 46 ASN N N 107 118.495 113.322 5.173 1
1 519 . 18 1 1 A 47 47 VAL CA C 108 65.178 63.260 1.918 1
1 520 . 18 1 1 A 47 47 VAL CB C 108 32.022 29.914 2.108 1
1 523 . 18 1 1 A 47 47 VAL HA H 108 3.952 3.482 0.470 1
1 525 . 18 1 1 A 47 47 VAL H H 108 8.342 7.737 0.605 1
1 526 . 18 1 1 A 47 47 VAL N N 108 123.377 110.480 12.897 1
1 533 . 18 1 1 A 48 48 SER CA C 109 61.473 60.993 0.480 1
1 534 . 18 1 1 A 48 48 SER CB C 109 62.248 63.718 -1.470 1
1 535 . 18 1 1 A 48 48 SER HA H 109 4.298 4.511 -0.213 1
1 536 . 18 1 1 A 48 48 SER H H 109 8.353 7.766 0.587 1
1 537 . 18 1 1 A 48 48 SER N N 109 116.439 116.001 0.438 1
1 539 . 18 1 1 A 49 49 ASP CA C 110 56.211 57.158 -0.947 1
1 540 . 18 1 1 A 49 49 ASP CB C 110 40.691 39.990 0.701 1
1 541 . 18 1 1 A 49 49 ASP HA H 110 4.534 4.198 0.336 1
1 542 . 18 1 1 A 49 49 ASP H H 110 7.832 8.383 -0.551 1
1 543 . 18 1 1 A 49 49 ASP N N 110 121.141 121.559 -0.418 1
1 545 . 18 1 1 A 50 50 PHE CA C 111 60.009 61.098 -1.089 1
1 546 . 18 1 1 A 50 50 PHE CB C 111 38.598 39.492 -0.894 1
1 550 . 18 1 1 A 50 50 PHE HA H 111 3.486 4.158 -0.672 1
1 555 . 18 1 1 A 50 50 PHE H H 111 8.044 8.313 -0.269 1
1 557 . 18 1 1 A 50 50 PHE N N 111 122.621 122.732 -0.111 1
1 560 . 18 1 1 A 51 51 LEU CA C 112 58.009 58.166 -0.157 1
1 561 . 18 1 1 A 51 51 LEU CB C 112 41.213 41.729 -0.516 1
1 565 . 18 1 1 A 51 51 LEU HA H 112 3.546 3.524 0.022 1
1 569 . 18 1 1 A 51 51 LEU H H 112 8.046 8.091 -0.045 1
1 570 . 18 1 1 A 51 51 LEU N N 112 119.691 120.389 -0.698 1
1 577 . 18 1 1 A 52 52 MET CA C 113 57.696 58.211 -0.515 1
1 578 . 18 1 1 A 52 52 MET CB C 113 32.289 32.223 0.066 1
1 581 . 18 1 1 A 52 52 MET HA H 113 4.231 4.107 0.124 1
1 586 . 18 1 1 A 52 52 MET H H 113 7.563 8.175 -0.612 1
1 587 . 18 1 1 A 52 52 MET N N 113 115.770 116.854 -1.084 1
1 591 . 18 1 1 A 53 53 ALA CA C 114 54.815 55.060 -0.245 1
1 592 . 18 1 1 A 53 53 ALA CB C 114 18.369 18.399 -0.030 1
1 593 . 18 1 1 A 53 53 ALA HA H 114 4.199 4.053 0.146 1
1 594 . 18 1 1 A 53 53 ALA H H 114 7.878 8.084 -0.206 1
1 595 . 18 1 1 A 53 53 ALA N N 114 121.804 122.567 -0.763 1
1 599 . 18 1 1 A 54 54 ILE CA C 115 63.259 65.173 -1.914 1
1 600 . 18 1 1 A 54 54 ILE CB C 115 36.127 37.628 -1.501 1
1 604 . 18 1 1 A 54 54 ILE HA H 115 3.767 3.656 0.111 1
1 608 . 18 1 1 A 54 54 ILE H H 115 8.202 8.206 -0.004 1
1 609 . 18 1 1 A 54 54 ILE N N 115 118.054 118.143 -0.089 1
1 616 . 18 1 1 A 55 55 VAL CA C 116 68.036 66.656 1.380 1
1 617 . 18 1 1 A 55 55 VAL CB C 116 31.463 31.647 -0.184 1
1 620 . 18 1 1 A 55 55 VAL HA H 116 3.509 3.582 -0.073 1
1 622 . 18 1 1 A 55 55 VAL H H 116 7.961 7.813 0.148 1
1 623 . 18 1 1 A 55 55 VAL N N 116 121.095 119.825 1.270 1
1 630 . 18 1 1 A 56 56 LYS CA C 117 59.077 58.886 0.191 1
1 631 . 18 1 1 A 56 56 LYS CB C 117 31.997 32.723 -0.726 1
1 635 . 18 1 1 A 56 56 LYS HA H 117 4.297 4.094 0.203 1
1 638 . 18 1 1 A 56 56 LYS H H 117 8.000 8.213 -0.213 1
1 639 . 18 1 1 A 56 56 LYS N N 117 118.806 119.619 -0.813 1
1 643 . 18 1 1 A 57 57 LEU CA C 118 57.515 57.815 -0.300 1
1 644 . 18 1 1 A 57 57 LEU CB C 118 42.727 42.177 0.550 1
1 648 . 18 1 1 A 57 57 LEU HA H 118 4.286 3.926 0.360 1
1 652 . 18 1 1 A 57 57 LEU H H 118 8.390 8.319 0.071 1
1 653 . 18 1 1 A 57 57 LEU N N 118 120.738 120.015 0.723 1
1 660 . 18 1 1 A 58 58 ALA CA C 119 55.695 55.379 0.316 1
1 661 . 18 1 1 A 58 58 ALA CB C 119 17.984 18.476 -0.492 1
1 662 . 18 1 1 A 58 58 ALA HA H 119 4.131 3.992 0.139 1
1 663 . 18 1 1 A 58 58 ALA H H 119 9.213 8.533 0.680 1
1 664 . 18 1 1 A 58 58 ALA N N 119 123.641 119.759 3.882 1
1 668 . 18 1 1 A 59 59 GLN CA C 120 60.234 58.990 1.244 1
1 669 . 18 1 1 A 59 59 GLN CB C 120 28.353 28.532 -0.179 1
1 671 . 18 1 1 A 59 59 GLN HA H 120 3.972 4.038 -0.066 1
1 678 . 18 1 1 A 59 59 GLN H H 120 8.649 8.013 0.636 1
1 679 . 18 1 1 A 59 59 GLN N N 120 116.453 118.079 -1.626 1
1 681 . 18 1 1 A 60 60 THR CA C 121 66.360 66.852 -0.492 1
1 682 . 18 1 1 A 60 60 THR CB C 121 68.868 68.783 0.085 1
1 684 . 18 1 1 A 60 60 THR HA H 121 4.076 3.976 0.100 1
1 686 . 18 1 1 A 60 60 THR H H 121 8.566 8.248 0.318 1
1 687 . 18 1 1 A 60 60 THR N N 121 115.479 117.462 -1.983 1
1 691 . 18 1 1 A 61 61 ASN CA C 122 57.397 55.977 1.420 1
1 692 . 18 1 1 A 61 61 ASN CB C 122 39.535 38.480 1.055 1
1 693 . 18 1 1 A 61 61 ASN HA H 122 4.626 4.426 0.200 1
1 698 . 18 1 1 A 61 61 ASN H H 122 8.433 8.319 0.114 1
1 699 . 18 1 1 A 61 61 ASN N N 122 120.652 119.947 0.705 1
1 701 . 18 1 1 A 62 62 LEU CA C 123 58.804 58.470 0.334 1
1 702 . 18 1 1 A 62 62 LEU CB C 123 42.331 41.730 0.601 1
1 706 . 18 1 1 A 62 62 LEU HA H 123 4.068 3.991 0.077 1
1 710 . 18 1 1 A 62 62 LEU H H 123 8.837 8.434 0.403 1
1 711 . 18 1 1 A 62 62 LEU N N 123 121.425 117.621 3.804 1
1 718 . 18 1 1 A 63 63 ARG CA C 124 59.647 59.190 0.457 1
1 719 . 18 1 1 A 63 63 ARG CB C 124 30.112 30.061 0.051 1
1 722 . 18 1 1 A 63 63 ARG HA H 124 4.030 3.973 0.057 1
1 727 . 18 1 1 A 63 63 ARG H H 124 7.502 7.879 -0.377 1
1 728 . 18 1 1 A 63 63 ARG N N 124 116.156 119.712 -3.556 1
1 730 . 18 1 1 A 64 64 ALA CA C 125 54.793 55.072 -0.279 1
1 731 . 18 1 1 A 64 64 ALA CB C 125 18.471 18.795 -0.324 1
1 732 . 18 1 1 A 64 64 ALA HA H 125 4.260 4.021 0.239 1
1 733 . 18 1 1 A 64 64 ALA H H 125 7.637 8.188 -0.551 1
1 734 . 18 1 1 A 64 64 ALA N N 125 121.808 121.766 0.042 1
1 738 . 18 1 1 A 65 65 ILE CA C 126 64.917 64.802 0.115 1
1 739 . 18 1 1 A 65 65 ILE CB C 126 39.599 37.911 1.688 1
1 743 . 18 1 1 A 65 65 ILE HA H 126 3.745 3.731 0.014 1
1 747 . 18 1 1 A 65 65 ILE H H 126 8.476 7.261 1.215 1
1 748 . 18 1 1 A 65 65 ILE N N 126 117.948 117.179 0.769 1
1 755 . 18 1 1 A 66 66 ILE CA C 127 64.704 64.820 -0.116 1
1 756 . 18 1 1 A 66 66 ILE CB C 127 37.188 37.523 -0.335 1
1 760 . 18 1 1 A 66 66 ILE HA H 127 3.826 3.760 0.066 1
1 764 . 18 1 1 A 66 66 ILE H H 127 8.130 8.159 -0.029 1
1 765 . 18 1 1 A 66 66 ILE N N 127 118.919 119.483 -0.564 1
1 772 . 18 1 1 A 67 67 GLY CA C 128 46.401 46.713 -0.312 1
1 773 . 18 1 1 A 67 67 GLY HA2 H 128 4.437 3.990 0.447 1
1 774 . 18 1 1 A 67 67 GLY HA3 H 128 3.925 3.990 -0.065 1
1 775 . 18 1 1 A 67 67 GLY H H 128 7.683 7.761 -0.078 1
1 776 . 18 1 1 A 67 67 GLY N N 128 104.485 109.300 -4.815 1
1 777 . 18 1 1 A 68 68 GLU CA C 129 55.446 54.972 0.474 1
1 778 . 18 1 1 A 68 68 GLU CB C 129 30.672 31.533 -0.861 1
1 780 . 18 1 1 A 68 68 GLU HA H 129 4.589 4.947 -0.358 1
1 785 . 18 1 1 A 68 68 GLU H H 129 7.111 8.347 -1.236 1
1 786 . 18 1 1 A 68 68 GLU N N 129 115.084 116.427 -1.343 1
1 787 . 18 1 1 A 69 69 MET CA C 130 55.238 54.685 0.553 1
1 788 . 18 1 1 A 69 69 MET CB C 130 36.559 36.459 0.100 1
1 791 . 18 1 1 A 69 69 MET HA H 130 4.763 4.826 -0.063 1
1 796 . 18 1 1 A 69 69 MET H H 130 8.414 8.593 -0.179 1
1 797 . 18 1 1 A 69 69 MET N N 130 121.732 120.711 1.021 1
1 801 . 18 1 1 A 70 70 GLU CA C 131 56.474 54.419 2.055 1
1 802 . 18 1 1 A 70 70 GLU CB C 131 30.686 32.496 -1.810 1
1 804 . 18 1 1 A 70 70 GLU HA H 131 4.354 4.833 -0.479 1
1 809 . 18 1 1 A 70 70 GLU H H 131 9.395 8.602 0.793 1
1 810 . 18 1 1 A 70 70 GLU N N 131 122.754 119.513 3.241 1
1 811 . 18 1 1 A 71 71 LEU CA C 132 59.955 58.023 1.932 1
1 812 . 18 1 1 A 71 71 LEU CB C 132 40.900 41.902 -1.002 1
1 816 . 18 1 1 A 71 71 LEU HA H 132 4.454 3.980 0.474 1
1 820 . 18 1 1 A 71 71 LEU H H 132 10.320 8.785 1.535 1
1 821 . 18 1 1 A 71 71 LEU N N 132 127.791 127.522 0.269 1
1 828 . 18 1 1 A 72 72 ASP CA C 133 57.961 56.039 1.922 1
1 829 . 18 1 1 A 72 72 ASP CB C 133 40.031 41.372 -1.341 1
1 830 . 18 1 1 A 72 72 ASP HA H 133 4.452 4.696 -0.244 1
1 831 . 18 1 1 A 72 72 ASP H H 133 9.283 7.923 1.360 1
1 832 . 18 1 1 A 72 72 ASP N N 133 117.573 118.205 -0.632 1
1 834 . 18 1 1 A 73 73 GLU CA C 134 58.070 59.089 -1.019 1
1 835 . 18 1 1 A 73 73 GLU CB C 134 30.329 29.589 0.740 1
1 837 . 18 1 1 A 73 73 GLU HA H 134 4.166 3.995 0.171 1
1 842 . 18 1 1 A 73 73 GLU H H 134 7.307 8.263 -0.956 1
1 843 . 18 1 1 A 73 73 GLU N N 134 118.947 120.354 -1.407 1
1 844 . 18 1 1 A 74 74 THR CA C 135 67.017 65.707 1.310 1
1 845 . 18 1 1 A 74 74 THR CB C 135 68.224 68.212 0.012 1
1 847 . 18 1 1 A 74 74 THR HA H 135 3.966 3.998 -0.032 1
1 849 . 18 1 1 A 74 74 THR H H 135 8.334 8.204 0.130 1
1 850 . 18 1 1 A 74 74 THR N N 135 116.702 114.389 2.313 1
1 854 . 18 1 1 A 75 75 LEU CA C 136 57.604 57.084 0.520 1
1 855 . 18 1 1 A 75 75 LEU CB C 136 41.375 41.331 0.044 1
1 859 . 18 1 1 A 75 75 LEU HA H 136 4.164 4.229 -0.065 1
1 863 . 18 1 1 A 75 75 LEU H H 136 8.159 7.867 0.292 1
1 864 . 18 1 1 A 75 75 LEU N N 136 118.009 119.065 -1.056 1
1 871 . 18 1 1 A 76 76 SER CA C 137 58.446 60.586 -2.140 1
1 872 . 18 1 1 A 76 76 SER CB C 137 63.709 63.736 -0.027 1
1 873 . 18 1 1 A 76 76 SER HA H 137 4.808 4.445 0.363 1
1 876 . 18 1 1 A 76 76 SER H H 137 7.713 7.812 -0.099 1
1 877 . 18 1 1 A 76 76 SER N N 137 111.428 114.341 -2.913 1
1 878 . 18 1 1 A 77 77 GLY CA C 138 46.311 46.183 0.128 1
1 879 . 18 1 1 A 77 77 GLY HA2 H 138 4.815 4.114 0.701 1
1 880 . 18 1 1 A 77 77 GLY HA3 H 138 3.860 4.115 -0.255 1
1 881 . 18 1 1 A 77 77 GLY H H 138 7.779 8.386 -0.607 1
1 882 . 18 1 1 A 77 77 GLY N N 138 112.185 107.718 4.467 1
1 883 . 18 1 1 A 78 78 ARG CA C 139 61.186 57.687 3.499 1
1 884 . 18 1 1 A 78 78 ARG CB C 139 29.871 30.862 -0.991 1
1 887 . 18 1 1 A 78 78 ARG HA H 139 3.853 4.354 -0.501 1
1 892 . 18 1 1 A 78 78 ARG H H 139 8.311 8.790 -0.479 1
1 893 . 18 1 1 A 78 78 ARG N N 139 121.172 125.859 -4.687 1
1 895 . 18 1 1 A 79 79 ASP CA C 140 57.533 56.387 1.146 1
1 896 . 18 1 1 A 79 79 ASP CB C 140 39.905 40.562 -0.657 1
1 897 . 18 1 1 A 79 79 ASP HA H 140 4.630 4.393 0.237 1
1 900 . 18 1 1 A 79 79 ASP H H 140 8.749 8.026 0.723 1
1 901 . 18 1 1 A 79 79 ASP N N 140 114.843 119.492 -4.649 1
1 902 . 18 1 1 A 80 80 ILE CA C 141 63.732 64.061 -0.329 1
1 903 . 18 1 1 A 80 80 ILE CB C 141 38.239 38.204 0.035 1
1 907 . 18 1 1 A 80 80 ILE HA H 141 4.070 3.834 0.236 1
1 911 . 18 1 1 A 80 80 ILE H H 141 7.565 7.415 0.150 1
1 912 . 18 1 1 A 80 80 ILE N N 141 121.986 119.405 2.581 1
1 919 . 18 1 1 A 81 81 ILE CA C 142 66.387 65.636 0.751 1
1 920 . 18 1 1 A 81 81 ILE CB C 142 38.194 37.686 0.508 1
1 924 . 18 1 1 A 81 81 ILE HA H 142 3.531 3.491 0.040 1
1 928 . 18 1 1 A 81 81 ILE H H 142 8.309 7.963 0.346 1
1 929 . 18 1 1 A 81 81 ILE N N 142 121.735 120.492 1.243 1
1 936 . 18 1 1 A 82 82 ASN CA C 143 56.121 55.842 0.279 1
1 937 . 18 1 1 A 82 82 ASN CB C 143 38.023 37.968 0.055 1
1 938 . 18 1 1 A 82 82 ASN HA H 143 4.369 4.429 -0.060 1
1 941 . 18 1 1 A 82 82 ASN H H 143 8.919 8.356 0.563 1
1 942 . 18 1 1 A 82 82 ASN N N 143 118.128 117.774 0.354 1
1 946 . 18 1 1 A 83 83 ALA CA C 144 55.230 55.500 -0.270 1
1 947 . 18 1 1 A 83 83 ALA CB C 144 18.378 18.448 -0.070 1
1 948 . 18 1 1 A 83 83 ALA HA H 144 4.310 4.089 0.221 1
1 949 . 18 1 1 A 83 83 ALA H H 144 7.687 8.169 -0.482 1
1 950 . 18 1 1 A 83 83 ALA N N 144 122.048 121.510 0.538 1
1 954 . 18 1 1 A 84 84 ARG CA C 145 58.842 59.353 -0.511 1
1 955 . 18 1 1 A 84 84 ARG CB C 145 30.415 30.053 0.362 1
1 958 . 18 1 1 A 84 84 ARG HA H 145 4.297 3.912 0.385 1
1 963 . 18 1 1 A 84 84 ARG H H 145 8.579 8.028 0.551 1
1 964 . 18 1 1 A 84 84 ARG N N 145 119.430 117.882 1.548 1
1 966 . 18 1 1 A 85 85 LEU CA C 146 57.861 58.295 -0.434 1
1 967 . 18 1 1 A 85 85 LEU CB C 146 41.584 41.893 -0.309 1
1 971 . 18 1 1 A 85 85 LEU HA H 146 4.054 4.011 0.043 1
1 975 . 18 1 1 A 85 85 LEU H H 146 9.083 7.900 1.183 1
1 976 . 18 1 1 A 85 85 LEU N N 146 119.149 121.314 -2.165 1
1 983 . 18 1 1 A 86 86 ARG CA C 147 60.723 59.762 0.961 1
1 984 . 18 1 1 A 86 86 ARG CB C 147 29.549 29.835 -0.286 1
1 987 . 18 1 1 A 86 86 ARG HA H 147 3.774 3.844 -0.070 1
1 992 . 18 1 1 A 86 86 ARG H H 147 7.971 8.192 -0.221 1
1 993 . 18 1 1 A 86 86 ARG N N 147 118.395 119.388 -0.993 1
1 995 . 18 1 1 A 87 87 GLU CA C 148 59.392 58.747 0.645 1
1 996 . 18 1 1 A 87 87 GLU CB C 148 29.740 29.631 0.109 1
1 998 . 18 1 1 A 87 87 GLU HA H 148 4.120 4.148 -0.028 1
1 1003 . 18 1 1 A 87 87 GLU H H 148 7.895 7.951 -0.056 1
1 1004 . 18 1 1 A 87 87 GLU N N 148 116.934 119.110 -2.176 1
1 1005 . 18 1 1 A 88 88 GLU CA C 149 58.455 58.017 0.438 1
1 1006 . 18 1 1 A 88 88 GLU CB C 149 29.306 30.692 -1.386 1
1 1008 . 18 1 1 A 88 88 GLU HA H 149 4.279 4.366 -0.087 1
1 1013 . 18 1 1 A 88 88 GLU H H 149 8.228 8.144 0.084 1
1 1014 . 18 1 1 A 88 88 GLU N N 149 116.458 118.738 -2.280 1
1 1015 . 18 1 1 A 89 89 LEU CA C 150 57.767 57.931 -0.164 1
1 1016 . 18 1 1 A 89 89 LEU CB C 150 42.450 40.791 1.659 1
1 1020 . 18 1 1 A 89 89 LEU HA H 150 4.239 3.972 0.267 1
1 1024 . 18 1 1 A 89 89 LEU H H 150 8.401 8.322 0.079 1
1 1025 . 18 1 1 A 89 89 LEU N N 150 117.854 119.752 -1.898 1
1 1032 . 18 1 1 A 90 90 ASP CA C 151 56.503 56.361 0.142 1
1 1033 . 18 1 1 A 90 90 ASP CB C 151 42.435 41.237 1.198 1
1 1034 . 18 1 1 A 90 90 ASP HA H 151 5.034 4.759 0.275 1
1 1037 . 18 1 1 A 90 90 ASP H H 151 8.524 8.120 0.404 1
1 1038 . 18 1 1 A 90 90 ASP N N 151 118.978 119.073 -0.095 1
1 1039 . 18 1 1 A 91 91 LYS CA C 152 58.455 58.286 0.169 1
1 1040 . 18 1 1 A 91 91 LYS CB C 152 33.021 33.033 -0.012 1
1 1044 . 18 1 1 A 91 91 LYS HA H 152 4.279 4.185 0.094 1
1 1049 . 18 1 1 A 91 91 LYS H H 152 7.348 7.714 -0.366 1
1 1050 . 18 1 1 A 91 91 LYS N N 152 114.172 118.117 -3.945 1
1 1053 . 18 1 1 A 92 92 ILE CA C 153 61.448 63.223 -1.775 1
1 1054 . 18 1 1 A 92 92 ILE CB C 153 39.068 37.267 1.801 1
1 1058 . 18 1 1 A 92 92 ILE HA H 153 4.427 3.573 0.854 1
1 1062 . 18 1 1 A 92 92 ILE H H 153 7.597 7.410 0.187 1
1 1063 . 18 1 1 A 92 92 ILE N N 153 114.441 119.899 -5.458 1
1 1070 . 18 1 1 A 93 93 THR CA C 154 65.433 64.854 0.579 1
1 1071 . 18 1 1 A 93 93 THR CB C 154 67.799 69.148 -1.349 1
1 1073 . 18 1 1 A 93 93 THR HA H 154 3.879 3.976 -0.097 1
1 1075 . 18 1 1 A 93 93 THR H H 154 8.195 7.683 0.512 1
1 1076 . 18 1 1 A 93 93 THR N N 154 110.253 112.398 -2.145 1
1 1080 . 18 1 1 A 94 94 ASP CA C 155 57.822 56.893 0.929 1
1 1081 . 18 1 1 A 94 94 ASP CB C 155 41.397 41.571 -0.174 1
1 1082 . 18 1 1 A 94 94 ASP HA H 155 4.514 4.470 0.044 1
1 1085 . 18 1 1 A 94 94 ASP H H 155 8.474 7.867 0.607 1
1 1086 . 18 1 1 A 94 94 ASP N N 155 124.348 121.803 2.545 1
1 1087 . 18 1 1 A 95 95 ARG CA C 156 57.783 58.957 -1.174 1
1 1088 . 18 1 1 A 95 95 ARG CB C 156 29.386 29.963 -0.577 1
1 1091 . 18 1 1 A 95 95 ARG HA H 156 4.173 4.102 0.071 1
1 1096 . 18 1 1 A 95 95 ARG H H 156 7.680 8.198 -0.518 1
1 1097 . 18 1 1 A 95 95 ARG N N 156 117.839 116.761 1.078 1
1 1099 . 18 1 1 A 96 96 TRP CB C 157 29.856 29.838 0.018 1
1 1105 . 18 1 1 A 96 96 TRP HA H 157 4.943 4.780 0.163 1
1 1112 . 18 1 1 A 96 96 TRP H H 157 7.880 7.258 0.622 1
1 1115 . 18 1 1 A 96 96 TRP N N 157 117.944 119.404 -1.460 1
1 1117 . 18 1 1 A 97 97 GLY CA C 158 46.688 46.288 0.400 1
1 1118 . 18 1 1 A 97 97 GLY HA2 H 158 4.411 4.042 0.369 1
1 1119 . 18 1 1 A 97 97 GLY HA3 H 158 4.249 4.064 0.185 1
1 1120 . 18 1 1 A 97 97 GLY H H 158 7.972 7.997 -0.025 1
1 1121 . 18 1 1 A 97 97 GLY N N 158 104.253 109.101 -4.848 1
1 1122 . 18 1 1 A 98 98 VAL CA C 159 60.417 61.315 -0.898 1
1 1123 . 18 1 1 A 98 98 VAL CB C 159 36.365 34.324 2.041 1
1 1126 . 18 1 1 A 98 98 VAL HA H 159 5.012 4.452 0.560 1
1 1128 . 18 1 1 A 98 98 VAL H H 159 7.468 7.906 -0.438 1
1 1129 . 18 1 1 A 98 98 VAL N N 159 115.979 120.982 -5.003 1
1 1136 . 18 1 1 A 99 99 LYS CA C 160 53.521 54.479 -0.958 1
1 1137 . 18 1 1 A 99 99 LYS CB C 160 36.083 35.856 0.227 1
1 1141 . 18 1 1 A 99 99 LYS HA H 160 5.053 5.098 -0.045 1
1 1148 . 18 1 1 A 99 99 LYS H H 160 9.259 9.100 0.159 1
1 1149 . 18 1 1 A 99 99 LYS N N 160 126.977 128.743 -1.766 1
1 1151 . 18 1 1 A 100 100 ILE CB C 161 35.185 37.013 -1.828 1
1 1155 . 18 1 1 A 100 100 ILE HA H 161 4.896 4.427 0.469 1
1 1159 . 18 1 1 A 100 100 ILE H H 161 9.310 9.027 0.283 1
1 1160 . 18 1 1 A 100 100 ILE N N 161 127.468 126.746 0.722 1
1 1167 . 18 1 1 A 101 101 THR CA C 162 63.075 64.780 -1.705 1
1 1168 . 18 1 1 A 101 101 THR CB C 162 67.345 68.692 -1.347 1
1 1170 . 18 1 1 A 101 101 THR HA H 162 4.254 4.304 -0.050 1
1 1172 . 18 1 1 A 101 101 THR H H 162 8.783 8.812 -0.029 1
1 1173 . 18 1 1 A 101 101 THR N N 162 120.609 119.761 0.848 1
1 1177 . 18 1 1 A 102 102 ARG CA C 163 55.929 54.305 1.624 1
1 1178 . 18 1 1 A 102 102 ARG CB C 163 32.468 33.575 -1.107 1
1 1181 . 18 1 1 A 102 102 ARG HA H 163 4.606 4.771 -0.165 1
1 1188 . 18 1 1 A 102 102 ARG H H 163 7.669 7.687 -0.018 1
1 1189 . 18 1 1 A 102 102 ARG N N 163 118.258 118.512 -0.254 1
1 1190 . 18 1 1 A 103 103 VAL CB C 164 35.090 34.793 0.297 1
1 1193 . 18 1 1 A 103 103 VAL HA H 164 4.886 4.771 0.115 1
1 1195 . 18 1 1 A 103 103 VAL H H 164 8.700 8.498 0.202 1
1 1196 . 18 1 1 A 103 103 VAL N N 164 122.135 120.491 1.644 1
1 1203 . 18 1 1 A 104 104 GLU CA C 165 54.469 55.013 -0.544 1
1 1204 . 18 1 1 A 104 104 GLU CB C 165 33.028 31.921 1.107 1
1 1206 . 18 1 1 A 104 104 GLU HA H 165 4.835 4.972 -0.137 1
1 1209 . 18 1 1 A 104 104 GLU H H 165 9.011 8.712 0.299 1
1 1210 . 18 1 1 A 104 104 GLU N N 165 123.789 127.015 -3.226 1
1 1212 . 18 1 1 A 105 105 ILE CA C 166 61.576 60.006 1.570 1
1 1213 . 18 1 1 A 105 105 ILE CB C 166 37.908 40.032 -2.124 1
1 1217 . 18 1 1 A 105 105 ILE HA H 166 4.525 4.727 -0.202 1
1 1219 . 18 1 1 A 105 105 ILE H H 166 9.869 8.839 1.030 1
1 1220 . 18 1 1 A 105 105 ILE N N 166 130.058 122.989 7.069 1
1 1229 . 18 1 1 A 106 106 GLN CA C 167 55.964 54.764 1.200 1
1 1230 . 18 1 1 A 106 106 GLN CB C 167 28.789 30.003 -1.214 1
1 1232 . 18 1 1 A 106 106 GLN HA H 167 4.661 4.530 0.131 1
1 1239 . 18 1 1 A 106 106 GLN H H 167 8.573 8.486 0.087 1
1 1240 . 18 1 1 A 106 106 GLN N N 167 127.576 125.934 1.642 1
1 1242 . 18 1 1 A 107 107 ARG CA C 168 56.113 56.724 -0.611 1
1 1243 . 18 1 1 A 107 107 ARG CB C 168 32.098 31.075 1.023 1
1 1246 . 18 1 1 A 107 107 ARG HA H 168 4.468 4.349 0.119 1
1 1251 . 18 1 1 A 107 107 ARG H H 168 8.762 8.153 0.609 1
1 1252 . 18 1 1 A 107 107 ARG N N 168 122.725 122.230 0.495 1
1 1254 . 18 1 1 A 108 108 ILE CA C 169 61.618 59.588 2.030 1
1 1255 . 18 1 1 A 108 108 ILE CB C 169 39.583 41.202 -1.619 1
1 1259 . 18 1 1 A 108 108 ILE HA H 169 4.451 4.955 -0.504 1
1 1263 . 18 1 1 A 108 108 ILE H H 169 7.996 8.371 -0.375 1
1 1264 . 18 1 1 A 108 108 ILE N N 169 120.383 125.185 -4.802 1
1 1271 . 18 1 1 A 109 109 ASP CA C 170 51.571 50.602 0.969 1
1 1272 . 18 1 1 A 109 109 ASP CB C 170 42.763 44.318 -1.555 1
1 1273 . 18 1 1 A 109 109 ASP HA H 170 5.579 5.115 0.464 1
1 1276 . 18 1 1 A 109 109 ASP H H 170 9.067 8.217 0.850 1
1 1277 . 18 1 1 A 109 109 ASP N N 170 126.604 125.580 1.024 1
1 1278 . 18 1 1 A 110 110 PRO CA C 171 61.302 61.491 -0.189 1
1 1279 . 18 1 1 A 110 110 PRO CB C 171 30.857 31.594 -0.737 1
1 1282 . 18 1 1 A 110 110 PRO HA H 171 5.081 4.733 0.348 1
1 1288 . 18 1 1 A 111 111 PRO CA C 172 63.367 62.379 0.988 1
1 1289 . 18 1 1 A 111 111 PRO CB C 172 32.050 33.332 -1.282 1
1 1292 . 18 1 1 A 111 111 PRO HA H 172 4.568 4.734 -0.166 1
1 1298 . 18 1 1 A 112 112 LYS CA C 173 55.951 58.533 -2.582 1
1 1299 . 18 1 1 A 112 112 LYS CB C 173 33.412 32.946 0.466 1
1 1303 . 18 1 1 A 112 112 LYS HA H 173 4.465 4.345 0.120 1
1 1306 . 18 1 1 A 112 112 LYS H H 173 8.533 8.182 0.351 1
1 1307 . 18 1 1 A 112 112 LYS N N 173 122.499 118.613 3.886 1
1 1 . 19 1 1 A 2 2 SER HA H 63 4.660 4.889 -0.229 1
1 4 . 19 1 1 A 2 2 SER CB C 63 63.645 67.270 -3.625 1
1 5 . 19 1 1 A 3 3 ASP HA H 64 4.688 4.856 -0.168 1
1 8 . 19 1 1 A 3 3 ASP H H 64 8.603 8.431 0.172 1
1 9 . 19 1 1 A 3 3 ASP CA C 64 54.354 52.775 1.579 1
1 10 . 19 1 1 A 3 3 ASP CB C 64 40.980 41.823 -0.843 1
1 11 . 19 1 1 A 3 3 ASP N N 64 122.069 122.916 -0.847 1
1 12 . 19 1 1 A 4 4 HIS HA H 65 4.735 4.819 -0.084 1
1 17 . 19 1 1 A 4 4 HIS H H 65 8.354 8.802 -0.448 1
1 18 . 19 1 1 A 4 4 HIS CA C 65 56.220 54.773 1.447 1
1 19 . 19 1 1 A 4 4 HIS CB C 65 30.570 30.882 -0.312 1
1 22 . 19 1 1 A 4 4 HIS N N 65 119.219 121.184 -1.965 1
1 29 . 19 1 1 A 5 5 VAL HA H 66 4.183 4.560 -0.377 1
1 31 . 19 1 1 A 5 5 VAL H H 66 8.073 8.524 -0.451 1
1 32 . 19 1 1 A 5 5 VAL CA C 66 62.127 61.042 1.085 1
1 33 . 19 1 1 A 5 5 VAL CB C 66 32.960 32.818 0.142 1
1 36 . 19 1 1 A 5 5 VAL N N 66 121.775 123.659 -1.884 1
1 37 . 19 1 1 A 6 6 ASP CA C 67 53.727 54.773 -1.046 1
1 38 . 19 1 1 A 6 6 ASP CB C 67 41.472 41.911 -0.439 1
1 39 . 19 1 1 A 6 6 ASP HA H 67 4.771 4.691 0.080 1
1 42 . 19 1 1 A 6 6 ASP H H 67 8.615 8.803 -0.188 1
1 43 . 19 1 1 A 6 6 ASP N N 67 124.725 125.957 -1.232 1
1 44 . 19 1 1 A 7 7 LEU CA C 68 54.586 56.983 -2.397 1
1 45 . 19 1 1 A 7 7 LEU CB C 68 41.657 42.349 -0.692 1
1 49 . 19 1 1 A 7 7 LEU HA H 68 4.556 4.287 0.269 1
1 53 . 19 1 1 A 7 7 LEU H H 68 8.441 8.626 -0.185 1
1 54 . 19 1 1 A 7 7 LEU N N 68 123.747 124.985 -1.238 1
1 61 . 19 1 1 A 8 8 ARG CA C 69 56.247 56.267 -0.020 1
1 62 . 19 1 1 A 8 8 ARG CB C 69 30.828 30.436 0.392 1
1 65 . 19 1 1 A 8 8 ARG HA H 69 4.253 4.166 0.087 1
1 70 . 19 1 1 A 8 8 ARG H H 69 8.209 7.396 0.813 1
1 71 . 19 1 1 A 8 8 ARG N N 69 121.063 117.400 3.663 1
1 73 . 19 1 1 A 9 9 GLU CA C 70 55.691 54.129 1.562 1
1 74 . 19 1 1 A 9 9 GLU CB C 70 31.777 33.361 -1.584 1
1 76 . 19 1 1 A 9 9 GLU HA H 70 4.655 4.817 -0.162 1
1 79 . 19 1 1 A 9 9 GLU H H 70 8.338 8.446 -0.108 1
1 80 . 19 1 1 A 9 9 GLU N N 70 121.677 121.057 0.620 1
1 82 . 19 1 1 A 10 10 HIS CA C 71 54.619 53.432 1.187 1
1 83 . 19 1 1 A 10 10 HIS CB C 71 32.189 32.321 -0.132 1
1 86 . 19 1 1 A 10 10 HIS HA H 71 4.716 5.026 -0.310 1
1 91 . 19 1 1 A 10 10 HIS H H 71 9.043 8.310 0.733 1
1 92 . 19 1 1 A 10 10 HIS N N 71 125.575 118.736 6.839 1
1 93 . 19 1 1 A 11 11 VAL CA C 72 60.567 59.948 0.619 1
1 94 . 19 1 1 A 11 11 VAL CB C 72 35.380 33.934 1.446 1
1 97 . 19 1 1 A 11 11 VAL HA H 72 4.951 4.535 0.416 1
1 99 . 19 1 1 A 11 11 VAL H H 72 8.218 8.736 -0.518 1
1 100 . 19 1 1 A 11 11 VAL N N 72 117.348 121.868 -4.520 1
1 107 . 19 1 1 A 12 12 ILE CA C 73 59.857 60.119 -0.262 1
1 108 . 19 1 1 A 12 12 ILE CB C 73 41.969 39.594 2.375 1
1 112 . 19 1 1 A 12 12 ILE HA H 73 4.464 4.912 -0.448 1
1 116 . 19 1 1 A 12 12 ILE H H 73 9.272 9.262 0.010 1
1 117 . 19 1 1 A 12 12 ILE N N 73 126.908 129.194 -2.286 1
1 124 . 19 1 1 A 13 13 ASP CB C 74 41.534 40.925 0.609 1
1 125 . 19 1 1 A 13 13 ASP HA H 74 4.885 5.052 -0.167 1
1 128 . 19 1 1 A 13 13 ASP H H 74 8.501 8.937 -0.436 1
1 129 . 19 1 1 A 13 13 ASP N N 74 126.253 128.240 -1.987 1
1 130 . 19 1 1 A 14 14 VAL CA C 75 59.550 59.409 0.141 1
1 131 . 19 1 1 A 14 14 VAL CB C 75 32.270 33.759 -1.489 1
1 134 . 19 1 1 A 14 14 VAL HA H 75 4.491 4.772 -0.281 1
1 136 . 19 1 1 A 14 14 VAL H H 75 8.758 8.977 -0.219 1
1 137 . 19 1 1 A 14 14 VAL N N 75 124.997 125.061 -0.064 1
1 144 . 19 1 1 A 15 15 PRO CB C 76 30.981 31.662 -0.681 1
1 147 . 19 1 1 A 15 15 PRO HA H 76 4.837 4.714 0.123 1
1 153 . 19 1 1 A 16 16 PRO CB C 77 32.267 32.809 -0.542 1
1 156 . 19 1 1 A 16 16 PRO HA H 77 4.881 4.999 -0.118 1
1 162 . 19 1 1 A 17 17 GLN CA C 78 53.332 54.482 -1.150 1
1 163 . 19 1 1 A 17 17 GLN CB C 78 33.352 33.401 -0.049 1
1 165 . 19 1 1 A 17 17 GLN HA H 78 4.768 4.657 0.111 1
1 170 . 19 1 1 A 17 17 GLN H H 78 8.612 8.239 0.373 1
1 171 . 19 1 1 A 17 17 GLN N N 78 119.550 118.493 1.057 1
1 175 . 19 1 1 A 18 18 GLU CA C 79 55.955 55.492 0.463 1
1 176 . 19 1 1 A 18 18 GLU CB C 79 30.087 30.032 0.055 1
1 178 . 19 1 1 A 18 18 GLU HA H 79 5.070 4.846 0.224 1
1 183 . 19 1 1 A 18 18 GLU H H 79 8.626 8.651 -0.025 1
1 184 . 19 1 1 A 18 18 GLU N N 79 123.226 122.238 0.988 1
1 185 . 19 1 1 A 19 19 VAL CA C 80 60.191 59.322 0.869 1
1 186 . 19 1 1 A 19 19 VAL CB C 80 34.901 34.764 0.137 1
1 189 . 19 1 1 A 19 19 VAL HA H 80 4.562 4.883 -0.321 1
1 191 . 19 1 1 A 19 19 VAL H H 80 9.568 8.343 1.225 1
1 192 . 19 1 1 A 19 19 VAL N N 80 123.365 117.710 5.655 1
1 199 . 19 1 1 A 20 20 ILE CA C 81 60.810 60.852 -0.042 1
1 200 . 19 1 1 A 20 20 ILE CB C 81 39.198 37.356 1.842 1
1 204 . 19 1 1 A 20 20 ILE HA H 81 4.678 4.215 0.463 1
1 208 . 19 1 1 A 20 20 ILE H H 81 8.048 8.766 -0.718 1
1 209 . 19 1 1 A 20 20 ILE N N 81 122.564 124.159 -1.595 1
1 216 . 19 1 1 A 21 21 CYS CB C 82 29.386 28.747 0.639 1
1 217 . 19 1 1 A 21 21 CYS HA H 82 4.932 4.475 0.457 1
1 220 . 19 1 1 A 21 21 CYS H H 82 8.796 8.870 -0.074 1
1 221 . 19 1 1 A 21 21 CYS N N 82 125.960 126.936 -0.976 1
1 222 . 19 1 1 A 22 22 LYS CA C 83 59.330 59.859 -0.529 1
1 223 . 19 1 1 A 22 22 LYS CB C 83 33.478 32.172 1.306 1
1 227 . 19 1 1 A 22 22 LYS HA H 83 4.096 4.008 0.088 1
1 234 . 19 1 1 A 22 22 LYS H H 83 8.735 9.109 -0.374 1
1 235 . 19 1 1 A 22 22 LYS N N 83 123.785 124.617 -0.832 1
1 237 . 19 1 1 A 23 23 ASP CA C 84 53.011 52.733 0.278 1
1 238 . 19 1 1 A 23 23 ASP CB C 84 38.642 40.256 -1.614 1
1 239 . 19 1 1 A 23 23 ASP HA H 84 4.694 4.691 0.003 1
1 242 . 19 1 1 A 23 23 ASP H H 84 8.667 7.705 0.962 1
1 243 . 19 1 1 A 23 23 ASP N N 84 112.676 117.850 -5.174 1
1 244 . 19 1 1 A 24 24 ASN CA C 85 54.989 54.377 0.612 1
1 245 . 19 1 1 A 24 24 ASN CB C 85 36.698 36.791 -0.093 1
1 246 . 19 1 1 A 24 24 ASN HA H 85 4.321 4.262 0.059 1
1 251 . 19 1 1 A 24 24 ASN H H 85 8.264 7.938 0.326 1
1 252 . 19 1 1 A 24 24 ASN N N 85 112.321 113.381 -1.060 1
1 254 . 19 1 1 A 25 25 VAL CA C 86 61.920 61.372 0.548 1
1 255 . 19 1 1 A 25 25 VAL CB C 86 33.581 32.463 1.118 1
1 258 . 19 1 1 A 25 25 VAL HA H 86 4.247 4.316 -0.069 1
1 260 . 19 1 1 A 25 25 VAL H H 86 6.817 7.667 -0.850 1
1 261 . 19 1 1 A 25 25 VAL N N 86 117.663 118.939 -1.276 1
1 268 . 19 1 1 A 26 26 VAL CA C 87 62.127 63.054 -0.927 1
1 269 . 19 1 1 A 26 26 VAL CB C 87 32.468 31.131 1.337 1
1 272 . 19 1 1 A 26 26 VAL HA H 87 4.710 4.309 0.401 1
1 274 . 19 1 1 A 26 26 VAL H H 87 8.467 8.690 -0.223 1
1 275 . 19 1 1 A 26 26 VAL N N 87 128.149 127.956 0.193 1
1 282 . 19 1 1 A 27 27 VAL CA C 88 58.409 59.266 -0.857 1
1 283 . 19 1 1 A 27 27 VAL CB C 88 34.991 35.922 -0.931 1
1 286 . 19 1 1 A 27 27 VAL HA H 88 4.995 4.870 0.125 1
1 288 . 19 1 1 A 27 27 VAL H H 88 8.983 8.303 0.680 1
1 289 . 19 1 1 A 27 27 VAL N N 88 119.421 121.570 -2.149 1
1 296 . 19 1 1 A 28 28 THR CA C 89 62.180 62.202 -0.022 1
1 297 . 19 1 1 A 28 28 THR CB C 89 69.351 69.639 -0.288 1
1 299 . 19 1 1 A 28 28 THR HA H 89 5.249 4.961 0.288 1
1 301 . 19 1 1 A 28 28 THR H H 89 8.544 8.304 0.240 1
1 302 . 19 1 1 A 28 28 THR N N 89 118.810 118.927 -0.117 1
1 306 . 19 1 1 A 29 29 VAL CA C 90 58.826 59.258 -0.432 1
1 307 . 19 1 1 A 29 29 VAL CB C 90 36.035 34.251 1.784 1
1 310 . 19 1 1 A 29 29 VAL HA H 90 5.527 5.034 0.493 1
1 312 . 19 1 1 A 29 29 VAL H H 90 8.818 9.034 -0.216 1
1 313 . 19 1 1 A 29 29 VAL N N 90 123.670 122.819 0.851 1
1 320 . 19 1 1 A 30 30 ASP CA C 91 52.821 53.628 -0.807 1
1 321 . 19 1 1 A 30 30 ASP CB C 91 42.960 44.822 -1.862 1
1 322 . 19 1 1 A 30 30 ASP HA H 91 4.785 5.183 -0.398 1
1 325 . 19 1 1 A 30 30 ASP H H 91 8.478 8.672 -0.194 1
1 326 . 19 1 1 A 30 30 ASP N N 91 125.411 123.135 2.276 1
1 327 . 19 1 1 A 31 31 ALA CA C 92 51.718 51.196 0.522 1
1 328 . 19 1 1 A 31 31 ALA CB C 92 22.216 23.529 -1.313 1
1 329 . 19 1 1 A 31 31 ALA HA H 92 5.268 4.928 0.340 1
1 330 . 19 1 1 A 31 31 ALA H H 92 8.075 8.343 -0.268 1
1 331 . 19 1 1 A 31 31 ALA N N 92 116.806 125.201 -8.395 1
1 335 . 19 1 1 A 32 32 VAL CB C 93 34.772 34.041 0.731 1
1 338 . 19 1 1 A 32 32 VAL HA H 93 4.901 5.025 -0.124 1
1 340 . 19 1 1 A 32 32 VAL H H 93 8.306 8.784 -0.478 1
1 341 . 19 1 1 A 32 32 VAL N N 93 117.482 114.540 2.942 1
1 348 . 19 1 1 A 33 33 VAL CA C 94 61.058 61.118 -0.060 1
1 349 . 19 1 1 A 33 33 VAL CB C 94 34.773 35.624 -0.851 1
1 352 . 19 1 1 A 33 33 VAL HA H 94 4.515 4.879 -0.364 1
1 354 . 19 1 1 A 33 33 VAL H H 94 8.873 8.153 0.720 1
1 355 . 19 1 1 A 33 33 VAL N N 94 124.653 121.716 2.937 1
1 362 . 19 1 1 A 34 34 TYR CA C 95 56.333 57.627 -1.294 1
1 363 . 19 1 1 A 34 34 TYR CB C 95 40.336 41.014 -0.678 1
1 366 . 19 1 1 A 34 34 TYR HA H 95 5.834 5.432 0.402 1
1 371 . 19 1 1 A 34 34 TYR H H 95 8.989 8.658 0.331 1
1 372 . 19 1 1 A 34 34 TYR N N 95 126.081 127.211 -1.130 1
1 375 . 19 1 1 A 35 35 TYR CA C 96 55.679 56.637 -0.958 1
1 376 . 19 1 1 A 35 35 TYR CB C 96 42.824 41.124 1.700 1
1 379 . 19 1 1 A 35 35 TYR HA H 96 6.097 5.584 0.513 1
1 384 . 19 1 1 A 35 35 TYR H H 96 9.102 8.310 0.792 1
1 385 . 19 1 1 A 35 35 TYR N N 96 117.188 118.571 -1.383 1
1 388 . 19 1 1 A 36 36 GLN CB C 97 33.643 32.491 1.152 1
1 390 . 19 1 1 A 36 36 GLN HA H 97 4.942 5.018 -0.076 1
1 395 . 19 1 1 A 36 36 GLN H H 97 9.441 8.524 0.917 1
1 396 . 19 1 1 A 36 36 GLN N N 97 118.000 119.537 -1.537 1
1 399 . 19 1 1 A 37 37 VAL CA C 98 63.621 63.353 0.268 1
1 400 . 19 1 1 A 37 37 VAL CB C 98 31.380 30.580 0.800 1
1 403 . 19 1 1 A 37 37 VAL HA H 98 4.286 4.092 0.194 1
1 405 . 19 1 1 A 37 37 VAL H H 98 9.692 8.970 0.722 1
1 406 . 19 1 1 A 37 37 VAL N N 98 126.436 123.849 2.587 1
1 413 . 19 1 1 A 38 38 ILE CA C 99 61.011 63.442 -2.431 1
1 414 . 19 1 1 A 38 38 ILE CB C 99 38.943 38.174 0.769 1
1 418 . 19 1 1 A 38 38 ILE HA H 99 4.514 3.986 0.528 1
1 422 . 19 1 1 A 38 38 ILE H H 99 8.540 8.060 0.480 1
1 423 . 19 1 1 A 38 38 ILE N N 99 123.480 124.527 -1.047 1
1 430 . 19 1 1 A 39 39 ASP CA C 100 50.850 50.639 0.211 1
1 431 . 19 1 1 A 39 39 ASP CB C 100 41.979 42.364 -0.385 1
1 432 . 19 1 1 A 39 39 ASP HA H 100 5.326 4.987 0.339 1
1 435 . 19 1 1 A 39 39 ASP H H 100 8.135 7.632 0.503 1
1 436 . 19 1 1 A 39 39 ASP N N 100 119.056 122.185 -3.129 1
1 437 . 19 1 1 A 40 40 PRO CA C 101 64.279 64.005 0.274 1
1 438 . 19 1 1 A 40 40 PRO CB C 101 32.510 31.773 0.737 1
1 441 . 19 1 1 A 40 40 PRO HA H 101 4.299 4.353 -0.054 1
1 448 . 19 1 1 A 41 41 VAL CA C 102 65.120 65.326 -0.206 1
1 449 . 19 1 1 A 41 41 VAL CB C 102 31.406 31.728 -0.322 1
1 452 . 19 1 1 A 41 41 VAL HA H 102 3.886 3.783 0.103 1
1 454 . 19 1 1 A 41 41 VAL H H 102 7.936 6.940 0.996 1
1 455 . 19 1 1 A 41 41 VAL N N 102 118.168 116.809 1.359 1
1 462 . 19 1 1 A 42 42 LYS CA C 103 57.852 59.469 -1.617 1
1 463 . 19 1 1 A 42 42 LYS CB C 103 33.597 32.486 1.111 1
1 467 . 19 1 1 A 42 42 LYS HA H 103 4.242 4.098 0.144 1
1 472 . 19 1 1 A 42 42 LYS H H 103 7.240 8.186 -0.946 1
1 473 . 19 1 1 A 42 42 LYS N N 103 118.280 119.790 -1.510 1
1 476 . 19 1 1 A 43 43 ALA CA C 104 53.615 51.858 1.757 1
1 477 . 19 1 1 A 43 43 ALA CB C 104 18.578 17.834 0.744 1
1 478 . 19 1 1 A 43 43 ALA HA H 104 4.632 4.267 0.365 1
1 479 . 19 1 1 A 43 43 ALA H H 104 7.702 7.690 0.012 1
1 480 . 19 1 1 A 43 43 ALA N N 104 122.122 120.700 1.422 1
1 484 . 19 1 1 A 44 44 VAL CA C 105 62.530 63.616 -1.086 1
1 485 . 19 1 1 A 44 44 VAL CB C 105 31.680 31.805 -0.125 1
1 488 . 19 1 1 A 44 44 VAL HA H 105 4.197 4.115 0.082 1
1 490 . 19 1 1 A 44 44 VAL H H 105 7.682 7.358 0.324 1
1 491 . 19 1 1 A 44 44 VAL N N 105 115.037 119.426 -4.389 1
1 498 . 19 1 1 A 45 45 TYR CA C 106 57.222 57.486 -0.264 1
1 499 . 19 1 1 A 45 45 TYR CB C 106 38.651 37.840 0.811 1
1 502 . 19 1 1 A 45 45 TYR HA H 106 4.652 4.559 0.093 1
1 505 . 19 1 1 A 45 45 TYR H H 106 7.436 7.466 -0.030 1
1 506 . 19 1 1 A 45 45 TYR N N 106 118.804 119.549 -0.745 1
1 510 . 19 1 1 A 46 46 ASN CB C 107 39.028 36.753 2.275 1
1 511 . 19 1 1 A 46 46 ASN HA H 107 4.959 4.226 0.733 1
1 516 . 19 1 1 A 46 46 ASN H H 107 8.614 8.067 0.547 1
1 517 . 19 1 1 A 46 46 ASN N N 107 118.495 113.555 4.940 1
1 519 . 19 1 1 A 47 47 VAL CA C 108 65.178 62.993 2.185 1
1 520 . 19 1 1 A 47 47 VAL CB C 108 32.022 29.454 2.568 1
1 523 . 19 1 1 A 47 47 VAL HA H 108 3.952 3.649 0.303 1
1 525 . 19 1 1 A 47 47 VAL H H 108 8.342 7.957 0.385 1
1 526 . 19 1 1 A 47 47 VAL N N 108 123.377 117.317 6.060 1
1 533 . 19 1 1 A 48 48 SER CA C 109 61.473 61.529 -0.056 1
1 534 . 19 1 1 A 48 48 SER CB C 109 62.248 63.796 -1.548 1
1 535 . 19 1 1 A 48 48 SER HA H 109 4.298 4.502 -0.204 1
1 536 . 19 1 1 A 48 48 SER H H 109 8.353 8.164 0.189 1
1 537 . 19 1 1 A 48 48 SER N N 109 116.439 117.152 -0.713 1
1 539 . 19 1 1 A 49 49 ASP CA C 110 56.211 57.228 -1.017 1
1 540 . 19 1 1 A 49 49 ASP CB C 110 40.691 40.419 0.272 1
1 541 . 19 1 1 A 49 49 ASP HA H 110 4.534 4.229 0.305 1
1 542 . 19 1 1 A 49 49 ASP H H 110 7.832 8.252 -0.420 1
1 543 . 19 1 1 A 49 49 ASP N N 110 121.141 122.536 -1.395 1
1 545 . 19 1 1 A 50 50 PHE CA C 111 60.009 61.032 -1.023 1
1 546 . 19 1 1 A 50 50 PHE CB C 111 38.598 39.511 -0.913 1
1 550 . 19 1 1 A 50 50 PHE HA H 111 3.486 3.997 -0.511 1
1 555 . 19 1 1 A 50 50 PHE H H 111 8.044 8.218 -0.174 1
1 557 . 19 1 1 A 50 50 PHE N N 111 122.621 121.816 0.805 1
1 560 . 19 1 1 A 51 51 LEU CA C 112 58.009 58.294 -0.285 1
1 561 . 19 1 1 A 51 51 LEU CB C 112 41.213 42.003 -0.790 1
1 565 . 19 1 1 A 51 51 LEU HA H 112 3.546 3.820 -0.274 1
1 569 . 19 1 1 A 51 51 LEU H H 112 8.046 8.493 -0.447 1
1 570 . 19 1 1 A 51 51 LEU N N 112 119.691 120.245 -0.554 1
1 577 . 19 1 1 A 52 52 MET CA C 113 57.696 58.531 -0.835 1
1 578 . 19 1 1 A 52 52 MET CB C 113 32.289 32.328 -0.039 1
1 581 . 19 1 1 A 52 52 MET HA H 113 4.231 4.144 0.087 1
1 586 . 19 1 1 A 52 52 MET H H 113 7.563 7.974 -0.411 1
1 587 . 19 1 1 A 52 52 MET N N 113 115.770 116.759 -0.989 1
1 591 . 19 1 1 A 53 53 ALA CA C 114 54.815 55.138 -0.323 1
1 592 . 19 1 1 A 53 53 ALA CB C 114 18.369 18.331 0.038 1
1 593 . 19 1 1 A 53 53 ALA HA H 114 4.199 4.056 0.143 1
1 594 . 19 1 1 A 53 53 ALA H H 114 7.878 8.316 -0.438 1
1 595 . 19 1 1 A 53 53 ALA N N 114 121.804 122.209 -0.405 1
1 599 . 19 1 1 A 54 54 ILE CA C 115 63.259 64.823 -1.564 1
1 600 . 19 1 1 A 54 54 ILE CB C 115 36.127 37.201 -1.074 1
1 604 . 19 1 1 A 54 54 ILE HA H 115 3.767 3.499 0.268 1
1 608 . 19 1 1 A 54 54 ILE H H 115 8.202 7.705 0.497 1
1 609 . 19 1 1 A 54 54 ILE N N 115 118.054 119.334 -1.280 1
1 616 . 19 1 1 A 55 55 VAL CA C 116 68.036 65.067 2.969 1
1 617 . 19 1 1 A 55 55 VAL CB C 116 31.463 31.422 0.041 1
1 620 . 19 1 1 A 55 55 VAL HA H 116 3.509 3.877 -0.368 1
1 622 . 19 1 1 A 55 55 VAL H H 116 7.961 7.607 0.354 1
1 623 . 19 1 1 A 55 55 VAL N N 116 121.095 116.566 4.529 1
1 630 . 19 1 1 A 56 56 LYS CA C 117 59.077 57.666 1.411 1
1 631 . 19 1 1 A 56 56 LYS CB C 117 31.997 32.944 -0.947 1
1 635 . 19 1 1 A 56 56 LYS HA H 117 4.297 4.253 0.044 1
1 638 . 19 1 1 A 56 56 LYS H H 117 8.000 7.536 0.464 1
1 639 . 19 1 1 A 56 56 LYS N N 117 118.806 121.496 -2.690 1
1 643 . 19 1 1 A 57 57 LEU CA C 118 57.515 57.770 -0.255 1
1 644 . 19 1 1 A 57 57 LEU CB C 118 42.727 42.071 0.656 1
1 648 . 19 1 1 A 57 57 LEU HA H 118 4.286 3.972 0.314 1
1 652 . 19 1 1 A 57 57 LEU H H 118 8.390 7.976 0.414 1
1 653 . 19 1 1 A 57 57 LEU N N 118 120.738 119.853 0.885 1
1 660 . 19 1 1 A 58 58 ALA CA C 119 55.695 55.660 0.035 1
1 661 . 19 1 1 A 58 58 ALA CB C 119 17.984 18.504 -0.520 1
1 662 . 19 1 1 A 58 58 ALA HA H 119 4.131 3.965 0.166 1
1 663 . 19 1 1 A 58 58 ALA H H 119 9.213 8.502 0.711 1
1 664 . 19 1 1 A 58 58 ALA N N 119 123.641 120.524 3.117 1
1 668 . 19 1 1 A 59 59 GLN CA C 120 60.234 58.810 1.424 1
1 669 . 19 1 1 A 59 59 GLN CB C 120 28.353 28.595 -0.242 1
1 671 . 19 1 1 A 59 59 GLN HA H 120 3.972 4.044 -0.072 1
1 678 . 19 1 1 A 59 59 GLN H H 120 8.649 8.237 0.412 1
1 679 . 19 1 1 A 59 59 GLN N N 120 116.453 117.169 -0.716 1
1 681 . 19 1 1 A 60 60 THR CA C 121 66.360 65.597 0.763 1
1 682 . 19 1 1 A 60 60 THR CB C 121 68.868 68.584 0.284 1
1 684 . 19 1 1 A 60 60 THR HA H 121 4.076 4.087 -0.011 1
1 686 . 19 1 1 A 60 60 THR H H 121 8.566 7.907 0.659 1
1 687 . 19 1 1 A 60 60 THR N N 121 115.479 117.076 -1.597 1
1 691 . 19 1 1 A 61 61 ASN CA C 122 57.397 55.497 1.900 1
1 692 . 19 1 1 A 61 61 ASN CB C 122 39.535 38.466 1.069 1
1 693 . 19 1 1 A 61 61 ASN HA H 122 4.626 4.656 -0.030 1
1 698 . 19 1 1 A 61 61 ASN H H 122 8.433 7.737 0.696 1
1 699 . 19 1 1 A 61 61 ASN N N 122 120.652 119.120 1.532 1
1 701 . 19 1 1 A 62 62 LEU CA C 123 58.804 58.222 0.582 1
1 702 . 19 1 1 A 62 62 LEU CB C 123 42.331 41.814 0.517 1
1 706 . 19 1 1 A 62 62 LEU HA H 123 4.068 4.037 0.031 1
1 710 . 19 1 1 A 62 62 LEU H H 123 8.837 8.441 0.396 1
1 711 . 19 1 1 A 62 62 LEU N N 123 121.425 117.242 4.183 1
1 718 . 19 1 1 A 63 63 ARG CA C 124 59.647 59.324 0.323 1
1 719 . 19 1 1 A 63 63 ARG CB C 124 30.112 29.770 0.342 1
1 722 . 19 1 1 A 63 63 ARG HA H 124 4.030 3.998 0.032 1
1 727 . 19 1 1 A 63 63 ARG H H 124 7.502 8.059 -0.557 1
1 728 . 19 1 1 A 63 63 ARG N N 124 116.156 119.166 -3.010 1
1 730 . 19 1 1 A 64 64 ALA CA C 125 54.793 55.059 -0.266 1
1 731 . 19 1 1 A 64 64 ALA CB C 125 18.471 18.686 -0.215 1
1 732 . 19 1 1 A 64 64 ALA HA H 125 4.260 4.040 0.220 1
1 733 . 19 1 1 A 64 64 ALA H H 125 7.637 8.108 -0.471 1
1 734 . 19 1 1 A 64 64 ALA N N 125 121.808 121.924 -0.116 1
1 738 . 19 1 1 A 65 65 ILE CA C 126 64.917 64.758 0.159 1
1 739 . 19 1 1 A 65 65 ILE CB C 126 39.599 37.927 1.672 1
1 743 . 19 1 1 A 65 65 ILE HA H 126 3.745 3.744 0.001 1
1 747 . 19 1 1 A 65 65 ILE H H 126 8.476 7.383 1.093 1
1 748 . 19 1 1 A 65 65 ILE N N 126 117.948 117.734 0.214 1
1 755 . 19 1 1 A 66 66 ILE CA C 127 64.704 64.809 -0.105 1
1 756 . 19 1 1 A 66 66 ILE CB C 127 37.188 37.708 -0.520 1
1 760 . 19 1 1 A 66 66 ILE HA H 127 3.826 3.739 0.087 1
1 764 . 19 1 1 A 66 66 ILE H H 127 8.130 8.627 -0.497 1
1 765 . 19 1 1 A 66 66 ILE N N 127 118.919 119.419 -0.500 1
1 772 . 19 1 1 A 67 67 GLY CA C 128 46.401 46.824 -0.423 1
1 773 . 19 1 1 A 67 67 GLY HA2 H 128 4.437 3.981 0.456 1
1 774 . 19 1 1 A 67 67 GLY HA3 H 128 3.925 3.981 -0.056 1
1 775 . 19 1 1 A 67 67 GLY H H 128 7.683 7.874 -0.191 1
1 776 . 19 1 1 A 67 67 GLY N N 128 104.485 109.098 -4.613 1
1 777 . 19 1 1 A 68 68 GLU CA C 129 55.446 55.239 0.207 1
1 778 . 19 1 1 A 68 68 GLU CB C 129 30.672 31.414 -0.742 1
1 780 . 19 1 1 A 68 68 GLU HA H 129 4.589 4.902 -0.313 1
1 785 . 19 1 1 A 68 68 GLU H H 129 7.111 8.221 -1.110 1
1 786 . 19 1 1 A 68 68 GLU N N 129 115.084 116.402 -1.318 1
1 787 . 19 1 1 A 69 69 MET CA C 130 55.238 54.745 0.493 1
1 788 . 19 1 1 A 69 69 MET CB C 130 36.559 36.597 -0.038 1
1 791 . 19 1 1 A 69 69 MET HA H 130 4.763 5.198 -0.435 1
1 796 . 19 1 1 A 69 69 MET H H 130 8.414 8.610 -0.196 1
1 797 . 19 1 1 A 69 69 MET N N 130 121.732 120.835 0.897 1
1 801 . 19 1 1 A 70 70 GLU CA C 131 56.474 54.643 1.831 1
1 802 . 19 1 1 A 70 70 GLU CB C 131 30.686 32.384 -1.698 1
1 804 . 19 1 1 A 70 70 GLU HA H 131 4.354 4.847 -0.493 1
1 809 . 19 1 1 A 70 70 GLU H H 131 9.395 8.597 0.798 1
1 810 . 19 1 1 A 70 70 GLU N N 131 122.754 120.127 2.627 1
1 811 . 19 1 1 A 71 71 LEU CA C 132 59.955 57.796 2.159 1
1 812 . 19 1 1 A 71 71 LEU CB C 132 40.900 42.003 -1.103 1
1 816 . 19 1 1 A 71 71 LEU HA H 132 4.454 4.003 0.451 1
1 820 . 19 1 1 A 71 71 LEU H H 132 10.320 8.819 1.501 1
1 821 . 19 1 1 A 71 71 LEU N N 132 127.791 128.428 -0.637 1
1 828 . 19 1 1 A 72 72 ASP CA C 133 57.961 56.326 1.635 1
1 829 . 19 1 1 A 72 72 ASP CB C 133 40.031 40.964 -0.933 1
1 830 . 19 1 1 A 72 72 ASP HA H 133 4.452 4.460 -0.008 1
1 831 . 19 1 1 A 72 72 ASP H H 133 9.283 8.046 1.237 1
1 832 . 19 1 1 A 72 72 ASP N N 133 117.573 118.730 -1.157 1
1 834 . 19 1 1 A 73 73 GLU CA C 134 58.070 59.123 -1.053 1
1 835 . 19 1 1 A 73 73 GLU CB C 134 30.329 29.453 0.876 1
1 837 . 19 1 1 A 73 73 GLU HA H 134 4.166 4.096 0.070 1
1 842 . 19 1 1 A 73 73 GLU H H 134 7.307 8.184 -0.877 1
1 843 . 19 1 1 A 73 73 GLU N N 134 118.947 117.862 1.085 1
1 844 . 19 1 1 A 74 74 THR CA C 135 67.017 66.048 0.969 1
1 845 . 19 1 1 A 74 74 THR CB C 135 68.224 68.470 -0.246 1
1 847 . 19 1 1 A 74 74 THR HA H 135 3.966 4.122 -0.156 1
1 849 . 19 1 1 A 74 74 THR H H 135 8.334 8.604 -0.270 1
1 850 . 19 1 1 A 74 74 THR N N 135 116.702 112.561 4.141 1
1 854 . 19 1 1 A 75 75 LEU CA C 136 57.604 58.171 -0.567 1
1 855 . 19 1 1 A 75 75 LEU CB C 136 41.375 41.702 -0.327 1
1 859 . 19 1 1 A 75 75 LEU HA H 136 4.164 3.891 0.273 1
1 863 . 19 1 1 A 75 75 LEU H H 136 8.159 7.961 0.198 1
1 864 . 19 1 1 A 75 75 LEU N N 136 118.009 123.120 -5.111 1
1 871 . 19 1 1 A 76 76 SER CA C 137 58.446 61.615 -3.169 1
1 872 . 19 1 1 A 76 76 SER CB C 137 63.709 62.907 0.802 1
1 873 . 19 1 1 A 76 76 SER HA H 137 4.808 4.089 0.719 1
1 876 . 19 1 1 A 76 76 SER H H 137 7.713 8.153 -0.440 1
1 877 . 19 1 1 A 76 76 SER N N 137 111.428 112.933 -1.505 1
1 878 . 19 1 1 A 77 77 GLY CA C 138 46.311 47.025 -0.714 1
1 879 . 19 1 1 A 77 77 GLY HA2 H 138 4.815 3.923 0.892 1
1 880 . 19 1 1 A 77 77 GLY HA3 H 138 3.860 3.924 -0.064 1
1 881 . 19 1 1 A 77 77 GLY H H 138 7.779 8.773 -0.994 1
1 882 . 19 1 1 A 77 77 GLY N N 138 112.185 107.600 4.585 1
1 883 . 19 1 1 A 78 78 ARG CA C 139 61.186 57.965 3.221 1
1 884 . 19 1 1 A 78 78 ARG CB C 139 29.871 30.400 -0.529 1
1 887 . 19 1 1 A 78 78 ARG HA H 139 3.853 4.302 -0.449 1
1 892 . 19 1 1 A 78 78 ARG H H 139 8.311 8.665 -0.354 1
1 893 . 19 1 1 A 78 78 ARG N N 139 121.172 122.713 -1.541 1
1 895 . 19 1 1 A 79 79 ASP CA C 140 57.533 56.628 0.905 1
1 896 . 19 1 1 A 79 79 ASP CB C 140 39.905 40.592 -0.687 1
1 897 . 19 1 1 A 79 79 ASP HA H 140 4.630 4.516 0.114 1
1 900 . 19 1 1 A 79 79 ASP H H 140 8.749 8.169 0.580 1
1 901 . 19 1 1 A 79 79 ASP N N 140 114.843 118.522 -3.679 1
1 902 . 19 1 1 A 80 80 ILE CA C 141 63.732 64.472 -0.740 1
1 903 . 19 1 1 A 80 80 ILE CB C 141 38.239 37.996 0.243 1
1 907 . 19 1 1 A 80 80 ILE HA H 141 4.070 3.715 0.355 1
1 911 . 19 1 1 A 80 80 ILE H H 141 7.565 7.868 -0.303 1
1 912 . 19 1 1 A 80 80 ILE N N 141 121.986 120.621 1.365 1
1 919 . 19 1 1 A 81 81 ILE CA C 142 66.387 65.736 0.651 1
1 920 . 19 1 1 A 81 81 ILE CB C 142 38.194 37.747 0.447 1
1 924 . 19 1 1 A 81 81 ILE HA H 142 3.531 3.635 -0.104 1
1 928 . 19 1 1 A 81 81 ILE H H 142 8.309 8.162 0.147 1
1 929 . 19 1 1 A 81 81 ILE N N 142 121.735 120.186 1.549 1
1 936 . 19 1 1 A 82 82 ASN CA C 143 56.121 55.999 0.122 1
1 937 . 19 1 1 A 82 82 ASN CB C 143 38.023 37.579 0.444 1
1 938 . 19 1 1 A 82 82 ASN HA H 143 4.369 4.386 -0.017 1
1 941 . 19 1 1 A 82 82 ASN H H 143 8.919 8.675 0.244 1
1 942 . 19 1 1 A 82 82 ASN N N 143 118.128 118.494 -0.366 1
1 946 . 19 1 1 A 83 83 ALA CA C 144 55.230 55.187 0.043 1
1 947 . 19 1 1 A 83 83 ALA CB C 144 18.378 18.550 -0.172 1
1 948 . 19 1 1 A 83 83 ALA HA H 144 4.310 4.051 0.259 1
1 949 . 19 1 1 A 83 83 ALA H H 144 7.687 7.919 -0.232 1
1 950 . 19 1 1 A 83 83 ALA N N 144 122.048 121.373 0.675 1
1 954 . 19 1 1 A 84 84 ARG CA C 145 58.842 59.406 -0.564 1
1 955 . 19 1 1 A 84 84 ARG CB C 145 30.415 29.998 0.417 1
1 958 . 19 1 1 A 84 84 ARG HA H 145 4.297 3.924 0.373 1
1 963 . 19 1 1 A 84 84 ARG H H 145 8.579 8.174 0.405 1
1 964 . 19 1 1 A 84 84 ARG N N 145 119.430 117.983 1.447 1
1 966 . 19 1 1 A 85 85 LEU CA C 146 57.861 58.681 -0.820 1
1 967 . 19 1 1 A 85 85 LEU CB C 146 41.584 41.809 -0.225 1
1 971 . 19 1 1 A 85 85 LEU HA H 146 4.054 4.015 0.039 1
1 975 . 19 1 1 A 85 85 LEU H H 146 9.083 7.904 1.179 1
1 976 . 19 1 1 A 85 85 LEU N N 146 119.149 121.579 -2.430 1
1 983 . 19 1 1 A 86 86 ARG CA C 147 60.723 59.837 0.886 1
1 984 . 19 1 1 A 86 86 ARG CB C 147 29.549 30.028 -0.479 1
1 987 . 19 1 1 A 86 86 ARG HA H 147 3.774 3.974 -0.200 1
1 992 . 19 1 1 A 86 86 ARG H H 147 7.971 8.551 -0.580 1
1 993 . 19 1 1 A 86 86 ARG N N 147 118.395 119.130 -0.735 1
1 995 . 19 1 1 A 87 87 GLU CA C 148 59.392 59.379 0.013 1
1 996 . 19 1 1 A 87 87 GLU CB C 148 29.740 29.463 0.277 1
1 998 . 19 1 1 A 87 87 GLU HA H 148 4.120 4.001 0.119 1
1 1003 . 19 1 1 A 87 87 GLU H H 148 7.895 8.166 -0.271 1
1 1004 . 19 1 1 A 87 87 GLU N N 148 116.934 118.605 -1.671 1
1 1005 . 19 1 1 A 88 88 GLU CA C 149 58.455 58.965 -0.510 1
1 1006 . 19 1 1 A 88 88 GLU CB C 149 29.306 30.069 -0.763 1
1 1008 . 19 1 1 A 88 88 GLU HA H 149 4.279 4.146 0.133 1
1 1013 . 19 1 1 A 88 88 GLU H H 149 8.228 8.279 -0.051 1
1 1014 . 19 1 1 A 88 88 GLU N N 149 116.458 118.960 -2.502 1
1 1015 . 19 1 1 A 89 89 LEU CA C 150 57.767 58.051 -0.284 1
1 1016 . 19 1 1 A 89 89 LEU CB C 150 42.450 41.512 0.938 1
1 1020 . 19 1 1 A 89 89 LEU HA H 150 4.239 3.960 0.279 1
1 1024 . 19 1 1 A 89 89 LEU H H 150 8.401 8.249 0.152 1
1 1025 . 19 1 1 A 89 89 LEU N N 150 117.854 120.280 -2.426 1
1 1032 . 19 1 1 A 90 90 ASP CA C 151 56.503 55.944 0.559 1
1 1033 . 19 1 1 A 90 90 ASP CB C 151 42.435 40.566 1.869 1
1 1034 . 19 1 1 A 90 90 ASP HA H 151 5.034 4.664 0.370 1
1 1037 . 19 1 1 A 90 90 ASP H H 151 8.524 8.604 -0.080 1
1 1038 . 19 1 1 A 90 90 ASP N N 151 118.978 118.969 0.009 1
1 1039 . 19 1 1 A 91 91 LYS CA C 152 58.455 57.495 0.960 1
1 1040 . 19 1 1 A 91 91 LYS CB C 152 33.021 33.248 -0.227 1
1 1044 . 19 1 1 A 91 91 LYS HA H 152 4.279 4.274 0.005 1
1 1049 . 19 1 1 A 91 91 LYS H H 152 7.348 8.111 -0.763 1
1 1050 . 19 1 1 A 91 91 LYS N N 152 114.172 116.717 -2.545 1
1 1053 . 19 1 1 A 92 92 ILE CA C 153 61.448 63.017 -1.569 1
1 1054 . 19 1 1 A 92 92 ILE CB C 153 39.068 37.288 1.780 1
1 1058 . 19 1 1 A 92 92 ILE HA H 153 4.427 3.534 0.893 1
1 1062 . 19 1 1 A 92 92 ILE H H 153 7.597 7.433 0.164 1
1 1063 . 19 1 1 A 92 92 ILE N N 153 114.441 120.199 -5.758 1
1 1070 . 19 1 1 A 93 93 THR CA C 154 65.433 64.801 0.632 1
1 1071 . 19 1 1 A 93 93 THR CB C 154 67.799 69.224 -1.425 1
1 1073 . 19 1 1 A 93 93 THR HA H 154 3.879 4.115 -0.236 1
1 1075 . 19 1 1 A 93 93 THR H H 154 8.195 7.423 0.772 1
1 1076 . 19 1 1 A 93 93 THR N N 154 110.253 112.910 -2.657 1
1 1080 . 19 1 1 A 94 94 ASP CA C 155 57.822 57.688 0.134 1
1 1081 . 19 1 1 A 94 94 ASP CB C 155 41.397 41.728 -0.331 1
1 1082 . 19 1 1 A 94 94 ASP HA H 155 4.514 4.433 0.081 1
1 1085 . 19 1 1 A 94 94 ASP H H 155 8.474 8.241 0.233 1
1 1086 . 19 1 1 A 94 94 ASP N N 155 124.348 121.622 2.726 1
1 1087 . 19 1 1 A 95 95 ARG CA C 156 57.783 58.742 -0.959 1
1 1088 . 19 1 1 A 95 95 ARG CB C 156 29.386 30.028 -0.642 1
1 1091 . 19 1 1 A 95 95 ARG HA H 156 4.173 4.105 0.068 1
1 1096 . 19 1 1 A 95 95 ARG H H 156 7.680 8.378 -0.698 1
1 1097 . 19 1 1 A 95 95 ARG N N 156 117.839 116.769 1.070 1
1 1099 . 19 1 1 A 96 96 TRP CB C 157 29.856 29.780 0.076 1
1 1105 . 19 1 1 A 96 96 TRP HA H 157 4.943 4.790 0.153 1
1 1112 . 19 1 1 A 96 96 TRP H H 157 7.880 7.406 0.474 1
1 1115 . 19 1 1 A 96 96 TRP N N 157 117.944 119.254 -1.310 1
1 1117 . 19 1 1 A 97 97 GLY CA C 158 46.688 46.651 0.037 1
1 1118 . 19 1 1 A 97 97 GLY HA2 H 158 4.411 4.014 0.397 1
1 1119 . 19 1 1 A 97 97 GLY HA3 H 158 4.249 4.031 0.218 1
1 1120 . 19 1 1 A 97 97 GLY H H 158 7.972 8.024 -0.052 1
1 1121 . 19 1 1 A 97 97 GLY N N 158 104.253 109.478 -5.225 1
1 1122 . 19 1 1 A 98 98 VAL CA C 159 60.417 61.142 -0.725 1
1 1123 . 19 1 1 A 98 98 VAL CB C 159 36.365 34.991 1.374 1
1 1126 . 19 1 1 A 98 98 VAL HA H 159 5.012 4.674 0.338 1
1 1128 . 19 1 1 A 98 98 VAL H H 159 7.468 7.802 -0.334 1
1 1129 . 19 1 1 A 98 98 VAL N N 159 115.979 120.450 -4.471 1
1 1136 . 19 1 1 A 99 99 LYS CA C 160 53.521 54.609 -1.088 1
1 1137 . 19 1 1 A 99 99 LYS CB C 160 36.083 36.349 -0.266 1
1 1141 . 19 1 1 A 99 99 LYS HA H 160 5.053 5.116 -0.063 1
1 1148 . 19 1 1 A 99 99 LYS H H 160 9.259 8.676 0.583 1
1 1149 . 19 1 1 A 99 99 LYS N N 160 126.977 127.391 -0.414 1
1 1151 . 19 1 1 A 100 100 ILE CB C 161 35.185 37.123 -1.938 1
1 1155 . 19 1 1 A 100 100 ILE HA H 161 4.896 4.464 0.432 1
1 1159 . 19 1 1 A 100 100 ILE H H 161 9.310 9.034 0.276 1
1 1160 . 19 1 1 A 100 100 ILE N N 161 127.468 127.264 0.204 1
1 1167 . 19 1 1 A 101 101 THR CA C 162 63.075 64.772 -1.697 1
1 1168 . 19 1 1 A 101 101 THR CB C 162 67.345 68.930 -1.585 1
1 1170 . 19 1 1 A 101 101 THR HA H 162 4.254 4.150 0.104 1
1 1172 . 19 1 1 A 101 101 THR H H 162 8.783 8.074 0.709 1
1 1173 . 19 1 1 A 101 101 THR N N 162 120.609 120.828 -0.219 1
1 1177 . 19 1 1 A 102 102 ARG CA C 163 55.929 54.917 1.012 1
1 1178 . 19 1 1 A 102 102 ARG CB C 163 32.468 32.081 0.387 1
1 1181 . 19 1 1 A 102 102 ARG HA H 163 4.606 4.635 -0.029 1
1 1188 . 19 1 1 A 102 102 ARG H H 163 7.669 7.699 -0.030 1
1 1189 . 19 1 1 A 102 102 ARG N N 163 118.258 118.111 0.147 1
1 1190 . 19 1 1 A 103 103 VAL CB C 164 35.090 35.863 -0.773 1
1 1193 . 19 1 1 A 103 103 VAL HA H 164 4.886 4.928 -0.042 1
1 1195 . 19 1 1 A 103 103 VAL H H 164 8.700 8.537 0.163 1
1 1196 . 19 1 1 A 103 103 VAL N N 164 122.135 115.038 7.097 1
1 1203 . 19 1 1 A 104 104 GLU CA C 165 54.469 54.500 -0.031 1
1 1204 . 19 1 1 A 104 104 GLU CB C 165 33.028 33.216 -0.188 1
1 1206 . 19 1 1 A 104 104 GLU HA H 165 4.835 4.918 -0.083 1
1 1209 . 19 1 1 A 104 104 GLU H H 165 9.011 8.836 0.175 1
1 1210 . 19 1 1 A 104 104 GLU N N 165 123.789 123.358 0.431 1
1 1212 . 19 1 1 A 105 105 ILE CA C 166 61.576 59.905 1.671 1
1 1213 . 19 1 1 A 105 105 ILE CB C 166 37.908 40.499 -2.591 1
1 1217 . 19 1 1 A 105 105 ILE HA H 166 4.525 4.682 -0.157 1
1 1219 . 19 1 1 A 105 105 ILE H H 166 9.869 8.879 0.990 1
1 1220 . 19 1 1 A 105 105 ILE N N 166 130.058 124.373 5.685 1
1 1229 . 19 1 1 A 106 106 GLN CA C 167 55.964 54.221 1.743 1
1 1230 . 19 1 1 A 106 106 GLN CB C 167 28.789 30.834 -2.045 1
1 1232 . 19 1 1 A 106 106 GLN HA H 167 4.661 4.686 -0.025 1
1 1239 . 19 1 1 A 106 106 GLN H H 167 8.573 8.514 0.059 1
1 1240 . 19 1 1 A 106 106 GLN N N 167 127.576 125.049 2.527 1
1 1242 . 19 1 1 A 107 107 ARG CA C 168 56.113 57.451 -1.338 1
1 1243 . 19 1 1 A 107 107 ARG CB C 168 32.098 30.917 1.181 1
1 1246 . 19 1 1 A 107 107 ARG HA H 168 4.468 4.225 0.243 1
1 1251 . 19 1 1 A 107 107 ARG H H 168 8.762 8.420 0.342 1
1 1252 . 19 1 1 A 107 107 ARG N N 168 122.725 121.691 1.034 1
1 1254 . 19 1 1 A 108 108 ILE CA C 169 61.618 59.902 1.716 1
1 1255 . 19 1 1 A 108 108 ILE CB C 169 39.583 40.002 -0.419 1
1 1259 . 19 1 1 A 108 108 ILE HA H 169 4.451 4.669 -0.218 1
1 1263 . 19 1 1 A 108 108 ILE H H 169 7.996 8.429 -0.433 1
1 1264 . 19 1 1 A 108 108 ILE N N 169 120.383 123.354 -2.971 1
1 1271 . 19 1 1 A 109 109 ASP CA C 170 51.571 50.036 1.535 1
1 1272 . 19 1 1 A 109 109 ASP CB C 170 42.763 42.295 0.468 1
1 1273 . 19 1 1 A 109 109 ASP HA H 170 5.579 5.115 0.464 1
1 1276 . 19 1 1 A 109 109 ASP H H 170 9.067 8.705 0.362 1
1 1277 . 19 1 1 A 109 109 ASP N N 170 126.604 124.577 2.027 1
1 1278 . 19 1 1 A 110 110 PRO CA C 171 61.302 61.508 -0.206 1
1 1279 . 19 1 1 A 110 110 PRO CB C 171 30.857 31.677 -0.820 1
1 1282 . 19 1 1 A 110 110 PRO HA H 171 5.081 4.726 0.355 1
1 1288 . 19 1 1 A 111 111 PRO CA C 172 63.367 62.826 0.541 1
1 1289 . 19 1 1 A 111 111 PRO CB C 172 32.050 32.343 -0.293 1
1 1292 . 19 1 1 A 111 111 PRO HA H 172 4.568 4.552 0.016 1
1 1298 . 19 1 1 A 112 112 LYS CA C 173 55.951 54.739 1.212 1
1 1299 . 19 1 1 A 112 112 LYS CB C 173 33.412 34.463 -1.051 1
1 1303 . 19 1 1 A 112 112 LYS HA H 173 4.465 4.796 -0.331 1
1 1306 . 19 1 1 A 112 112 LYS H H 173 8.533 8.560 -0.027 1
1 1307 . 19 1 1 A 112 112 LYS N N 173 122.499 121.045 1.454 1
1 1 . 20 1 1 A 2 2 SER HA H 63 4.660 4.969 -0.309 1
1 4 . 20 1 1 A 2 2 SER CB C 63 63.645 65.054 -1.409 1
1 5 . 20 1 1 A 3 3 ASP HA H 64 4.688 4.611 0.077 1
1 8 . 20 1 1 A 3 3 ASP H H 64 8.603 8.381 0.222 1
1 9 . 20 1 1 A 3 3 ASP CA C 64 54.354 56.285 -1.931 1
1 10 . 20 1 1 A 3 3 ASP CB C 64 40.980 41.336 -0.356 1
1 11 . 20 1 1 A 3 3 ASP N N 64 122.069 126.255 -4.186 1
1 12 . 20 1 1 A 4 4 HIS HA H 65 4.735 4.570 0.165 1
1 17 . 20 1 1 A 4 4 HIS H H 65 8.354 7.703 0.651 1
1 18 . 20 1 1 A 4 4 HIS CA C 65 56.220 57.340 -1.120 1
1 19 . 20 1 1 A 4 4 HIS CB C 65 30.570 30.363 0.207 1
1 22 . 20 1 1 A 4 4 HIS N N 65 119.219 117.228 1.991 1
1 29 . 20 1 1 A 5 5 VAL HA H 66 4.183 4.944 -0.761 1
1 31 . 20 1 1 A 5 5 VAL H H 66 8.073 9.101 -1.028 1
1 32 . 20 1 1 A 5 5 VAL CA C 66 62.127 60.108 2.019 1
1 33 . 20 1 1 A 5 5 VAL CB C 66 32.960 34.022 -1.062 1
1 36 . 20 1 1 A 5 5 VAL N N 66 121.775 119.269 2.506 1
1 37 . 20 1 1 A 6 6 ASP CA C 67 53.727 52.767 0.960 1
1 38 . 20 1 1 A 6 6 ASP CB C 67 41.472 45.069 -3.597 1
1 39 . 20 1 1 A 6 6 ASP HA H 67 4.771 5.026 -0.255 1
1 42 . 20 1 1 A 6 6 ASP H H 67 8.615 8.675 -0.060 1
1 43 . 20 1 1 A 6 6 ASP N N 67 124.725 122.919 1.806 1
1 44 . 20 1 1 A 7 7 LEU CA C 68 54.586 54.174 0.412 1
1 45 . 20 1 1 A 7 7 LEU CB C 68 41.657 41.528 0.129 1
1 49 . 20 1 1 A 7 7 LEU HA H 68 4.556 4.619 -0.063 1
1 53 . 20 1 1 A 7 7 LEU H H 68 8.441 8.751 -0.310 1
1 54 . 20 1 1 A 7 7 LEU N N 68 123.747 120.812 2.935 1
1 61 . 20 1 1 A 8 8 ARG CA C 69 56.247 56.111 0.136 1
1 62 . 20 1 1 A 8 8 ARG CB C 69 30.828 30.198 0.630 1
1 65 . 20 1 1 A 8 8 ARG HA H 69 4.253 4.219 0.034 1
1 70 . 20 1 1 A 8 8 ARG H H 69 8.209 7.424 0.785 1
1 71 . 20 1 1 A 8 8 ARG N N 69 121.063 118.952 2.111 1
1 73 . 20 1 1 A 9 9 GLU CA C 70 55.691 54.937 0.754 1
1 74 . 20 1 1 A 9 9 GLU CB C 70 31.777 31.806 -0.029 1
1 76 . 20 1 1 A 9 9 GLU HA H 70 4.655 4.567 0.088 1
1 79 . 20 1 1 A 9 9 GLU H H 70 8.338 8.450 -0.112 1
1 80 . 20 1 1 A 9 9 GLU N N 70 121.677 123.067 -1.390 1
1 82 . 20 1 1 A 10 10 HIS CA C 71 54.619 53.937 0.682 1
1 83 . 20 1 1 A 10 10 HIS CB C 71 32.189 30.955 1.234 1
1 86 . 20 1 1 A 10 10 HIS HA H 71 4.716 4.804 -0.088 1
1 91 . 20 1 1 A 10 10 HIS H H 71 9.043 8.930 0.113 1
1 92 . 20 1 1 A 10 10 HIS N N 71 125.575 120.638 4.937 1
1 93 . 20 1 1 A 11 11 VAL CA C 72 60.567 60.196 0.371 1
1 94 . 20 1 1 A 11 11 VAL CB C 72 35.380 33.682 1.698 1
1 97 . 20 1 1 A 11 11 VAL HA H 72 4.951 4.796 0.155 1
1 99 . 20 1 1 A 11 11 VAL H H 72 8.218 8.649 -0.431 1
1 100 . 20 1 1 A 11 11 VAL N N 72 117.348 123.739 -6.391 1
1 107 . 20 1 1 A 12 12 ILE CA C 73 59.857 60.071 -0.214 1
1 108 . 20 1 1 A 12 12 ILE CB C 73 41.969 39.105 2.864 1
1 112 . 20 1 1 A 12 12 ILE HA H 73 4.464 4.839 -0.375 1
1 116 . 20 1 1 A 12 12 ILE H H 73 9.272 9.576 -0.304 1
1 117 . 20 1 1 A 12 12 ILE N N 73 126.908 129.715 -2.807 1
1 124 . 20 1 1 A 13 13 ASP CB C 74 41.534 40.932 0.602 1
1 125 . 20 1 1 A 13 13 ASP HA H 74 4.885 4.951 -0.066 1
1 128 . 20 1 1 A 13 13 ASP H H 74 8.501 8.846 -0.345 1
1 129 . 20 1 1 A 13 13 ASP N N 74 126.253 128.488 -2.235 1
1 130 . 20 1 1 A 14 14 VAL CA C 75 59.550 58.918 0.632 1
1 131 . 20 1 1 A 14 14 VAL CB C 75 32.270 32.881 -0.611 1
1 134 . 20 1 1 A 14 14 VAL HA H 75 4.491 4.541 -0.050 1
1 136 . 20 1 1 A 14 14 VAL H H 75 8.758 8.655 0.103 1
1 137 . 20 1 1 A 14 14 VAL N N 75 124.997 125.734 -0.737 1
1 144 . 20 1 1 A 15 15 PRO CB C 76 30.981 31.682 -0.701 1
1 147 . 20 1 1 A 15 15 PRO HA H 76 4.837 4.699 0.138 1
1 153 . 20 1 1 A 16 16 PRO CB C 77 32.267 32.768 -0.501 1
1 156 . 20 1 1 A 16 16 PRO HA H 77 4.881 4.975 -0.094 1
1 162 . 20 1 1 A 17 17 GLN CA C 78 53.332 54.820 -1.488 1
1 163 . 20 1 1 A 17 17 GLN CB C 78 33.352 32.230 1.122 1
1 165 . 20 1 1 A 17 17 GLN HA H 78 4.768 4.696 0.072 1
1 170 . 20 1 1 A 17 17 GLN H H 78 8.612 8.249 0.363 1
1 171 . 20 1 1 A 17 17 GLN N N 78 119.550 121.822 -2.272 1
1 175 . 20 1 1 A 18 18 GLU CA C 79 55.955 56.439 -0.484 1
1 176 . 20 1 1 A 18 18 GLU CB C 79 30.087 30.084 0.003 1
1 178 . 20 1 1 A 18 18 GLU HA H 79 5.070 4.590 0.480 1
1 183 . 20 1 1 A 18 18 GLU H H 79 8.626 8.707 -0.081 1
1 184 . 20 1 1 A 18 18 GLU N N 79 123.226 126.848 -3.622 1
1 185 . 20 1 1 A 19 19 VAL CA C 80 60.191 59.127 1.064 1
1 186 . 20 1 1 A 19 19 VAL CB C 80 34.901 35.635 -0.734 1
1 189 . 20 1 1 A 19 19 VAL HA H 80 4.562 4.809 -0.247 1
1 191 . 20 1 1 A 19 19 VAL H H 80 9.568 8.252 1.316 1
1 192 . 20 1 1 A 19 19 VAL N N 80 123.365 118.228 5.137 1
1 199 . 20 1 1 A 20 20 ILE CA C 81 60.810 60.628 0.182 1
1 200 . 20 1 1 A 20 20 ILE CB C 81 39.198 37.679 1.519 1
1 204 . 20 1 1 A 20 20 ILE HA H 81 4.678 4.476 0.202 1
1 208 . 20 1 1 A 20 20 ILE H H 81 8.048 8.751 -0.703 1
1 209 . 20 1 1 A 20 20 ILE N N 81 122.564 124.616 -2.052 1
1 216 . 20 1 1 A 21 21 CYS CB C 82 29.386 28.717 0.669 1
1 217 . 20 1 1 A 21 21 CYS HA H 82 4.932 4.870 0.062 1
1 220 . 20 1 1 A 21 21 CYS H H 82 8.796 8.943 -0.147 1
1 221 . 20 1 1 A 21 21 CYS N N 82 125.960 126.736 -0.776 1
1 222 . 20 1 1 A 22 22 LYS CA C 83 59.330 59.376 -0.046 1
1 223 . 20 1 1 A 22 22 LYS CB C 83 33.478 32.386 1.092 1
1 227 . 20 1 1 A 22 22 LYS HA H 83 4.096 4.039 0.057 1
1 234 . 20 1 1 A 22 22 LYS H H 83 8.735 8.521 0.214 1
1 235 . 20 1 1 A 22 22 LYS N N 83 123.785 124.723 -0.938 1
1 237 . 20 1 1 A 23 23 ASP CA C 84 53.011 52.935 0.076 1
1 238 . 20 1 1 A 23 23 ASP CB C 84 38.642 40.340 -1.698 1
1 239 . 20 1 1 A 23 23 ASP HA H 84 4.694 4.719 -0.025 1
1 242 . 20 1 1 A 23 23 ASP H H 84 8.667 7.684 0.983 1
1 243 . 20 1 1 A 23 23 ASP N N 84 112.676 117.922 -5.246 1
1 244 . 20 1 1 A 24 24 ASN CA C 85 54.989 54.358 0.631 1
1 245 . 20 1 1 A 24 24 ASN CB C 85 36.698 36.923 -0.225 1
1 246 . 20 1 1 A 24 24 ASN HA H 85 4.321 4.274 0.047 1
1 251 . 20 1 1 A 24 24 ASN H H 85 8.264 7.978 0.286 1
1 252 . 20 1 1 A 24 24 ASN N N 85 112.321 113.496 -1.175 1
1 254 . 20 1 1 A 25 25 VAL CA C 86 61.920 61.222 0.698 1
1 255 . 20 1 1 A 25 25 VAL CB C 86 33.581 32.870 0.711 1
1 258 . 20 1 1 A 25 25 VAL HA H 86 4.247 4.421 -0.174 1
1 260 . 20 1 1 A 25 25 VAL H H 86 6.817 7.638 -0.821 1
1 261 . 20 1 1 A 25 25 VAL N N 86 117.663 118.645 -0.982 1
1 268 . 20 1 1 A 26 26 VAL CA C 87 62.127 61.870 0.257 1
1 269 . 20 1 1 A 26 26 VAL CB C 87 32.468 32.093 0.375 1
1 272 . 20 1 1 A 26 26 VAL HA H 87 4.710 4.536 0.174 1
1 274 . 20 1 1 A 26 26 VAL H H 87 8.467 8.764 -0.297 1
1 275 . 20 1 1 A 26 26 VAL N N 87 128.149 129.283 -1.134 1
1 282 . 20 1 1 A 27 27 VAL CA C 88 58.409 59.386 -0.977 1
1 283 . 20 1 1 A 27 27 VAL CB C 88 34.991 35.730 -0.739 1
1 286 . 20 1 1 A 27 27 VAL HA H 88 4.995 4.906 0.089 1
1 288 . 20 1 1 A 27 27 VAL H H 88 8.983 8.360 0.623 1
1 289 . 20 1 1 A 27 27 VAL N N 88 119.421 122.516 -3.095 1
1 296 . 20 1 1 A 28 28 THR CA C 89 62.180 62.730 -0.550 1
1 297 . 20 1 1 A 28 28 THR CB C 89 69.351 69.142 0.209 1
1 299 . 20 1 1 A 28 28 THR HA H 89 5.249 4.647 0.602 1
1 301 . 20 1 1 A 28 28 THR H H 89 8.544 8.756 -0.212 1
1 302 . 20 1 1 A 28 28 THR N N 89 118.810 120.051 -1.241 1
1 306 . 20 1 1 A 29 29 VAL CA C 90 58.826 59.702 -0.876 1
1 307 . 20 1 1 A 29 29 VAL CB C 90 36.035 35.988 0.047 1
1 310 . 20 1 1 A 29 29 VAL HA H 90 5.527 5.037 0.490 1
1 312 . 20 1 1 A 29 29 VAL H H 90 8.818 8.801 0.017 1
1 313 . 20 1 1 A 29 29 VAL N N 90 123.670 127.227 -3.557 1
1 320 . 20 1 1 A 30 30 ASP CA C 91 52.821 54.122 -1.301 1
1 321 . 20 1 1 A 30 30 ASP CB C 91 42.960 45.267 -2.307 1
1 322 . 20 1 1 A 30 30 ASP HA H 91 4.785 5.247 -0.462 1
1 325 . 20 1 1 A 30 30 ASP H H 91 8.478 8.710 -0.232 1
1 326 . 20 1 1 A 30 30 ASP N N 91 125.411 126.165 -0.754 1
1 327 . 20 1 1 A 31 31 ALA CA C 92 51.718 51.094 0.624 1
1 328 . 20 1 1 A 31 31 ALA CB C 92 22.216 23.588 -1.372 1
1 329 . 20 1 1 A 31 31 ALA HA H 92 5.268 5.005 0.263 1
1 330 . 20 1 1 A 31 31 ALA H H 92 8.075 8.381 -0.306 1
1 331 . 20 1 1 A 31 31 ALA N N 92 116.806 124.041 -7.235 1
1 335 . 20 1 1 A 32 32 VAL CB C 93 34.772 34.097 0.675 1
1 338 . 20 1 1 A 32 32 VAL HA H 93 4.901 5.042 -0.141 1
1 340 . 20 1 1 A 32 32 VAL H H 93 8.306 8.767 -0.461 1
1 341 . 20 1 1 A 32 32 VAL N N 93 117.482 114.551 2.931 1
1 348 . 20 1 1 A 33 33 VAL CA C 94 61.058 61.041 0.017 1
1 349 . 20 1 1 A 33 33 VAL CB C 94 34.773 35.824 -1.051 1
1 352 . 20 1 1 A 33 33 VAL HA H 94 4.515 4.916 -0.401 1
1 354 . 20 1 1 A 33 33 VAL H H 94 8.873 8.623 0.250 1
1 355 . 20 1 1 A 33 33 VAL N N 94 124.653 121.717 2.936 1
1 362 . 20 1 1 A 34 34 TYR CA C 95 56.333 57.560 -1.227 1
1 363 . 20 1 1 A 34 34 TYR CB C 95 40.336 41.224 -0.888 1
1 366 . 20 1 1 A 34 34 TYR HA H 95 5.834 5.678 0.156 1
1 371 . 20 1 1 A 34 34 TYR H H 95 8.989 8.760 0.229 1
1 372 . 20 1 1 A 34 34 TYR N N 95 126.081 127.291 -1.210 1
1 375 . 20 1 1 A 35 35 TYR CA C 96 55.679 56.535 -0.856 1
1 376 . 20 1 1 A 35 35 TYR CB C 96 42.824 41.166 1.658 1
1 379 . 20 1 1 A 35 35 TYR HA H 96 6.097 5.645 0.452 1
1 384 . 20 1 1 A 35 35 TYR H H 96 9.102 8.431 0.671 1
1 385 . 20 1 1 A 35 35 TYR N N 96 117.188 118.903 -1.715 1
1 388 . 20 1 1 A 36 36 GLN CB C 97 33.643 31.278 2.365 1
1 390 . 20 1 1 A 36 36 GLN HA H 97 4.942 5.201 -0.259 1
1 395 . 20 1 1 A 36 36 GLN H H 97 9.441 8.458 0.983 1
1 396 . 20 1 1 A 36 36 GLN N N 97 118.000 119.515 -1.515 1
1 399 . 20 1 1 A 37 37 VAL CA C 98 63.621 63.446 0.175 1
1 400 . 20 1 1 A 37 37 VAL CB C 98 31.380 30.998 0.382 1
1 403 . 20 1 1 A 37 37 VAL HA H 98 4.286 4.028 0.258 1
1 405 . 20 1 1 A 37 37 VAL H H 98 9.692 9.093 0.599 1
1 406 . 20 1 1 A 37 37 VAL N N 98 126.436 124.627 1.809 1
1 413 . 20 1 1 A 38 38 ILE CA C 99 61.011 61.906 -0.895 1
1 414 . 20 1 1 A 38 38 ILE CB C 99 38.943 38.120 0.823 1
1 418 . 20 1 1 A 38 38 ILE HA H 99 4.514 4.227 0.287 1
1 422 . 20 1 1 A 38 38 ILE H H 99 8.540 8.630 -0.090 1
1 423 . 20 1 1 A 38 38 ILE N N 99 123.480 123.969 -0.489 1
1 430 . 20 1 1 A 39 39 ASP CA C 100 50.850 51.605 -0.755 1
1 431 . 20 1 1 A 39 39 ASP CB C 100 41.979 42.020 -0.041 1
1 432 . 20 1 1 A 39 39 ASP HA H 100 5.326 4.918 0.408 1
1 435 . 20 1 1 A 39 39 ASP H H 100 8.135 7.433 0.702 1
1 436 . 20 1 1 A 39 39 ASP N N 100 119.056 121.731 -2.675 1
1 437 . 20 1 1 A 40 40 PRO CA C 101 64.279 65.362 -1.083 1
1 438 . 20 1 1 A 40 40 PRO CB C 101 32.510 31.967 0.543 1
1 441 . 20 1 1 A 40 40 PRO HA H 101 4.299 4.244 0.055 1
1 448 . 20 1 1 A 41 41 VAL CA C 102 65.120 66.317 -1.197 1
1 449 . 20 1 1 A 41 41 VAL CB C 102 31.406 31.634 -0.228 1
1 452 . 20 1 1 A 41 41 VAL HA H 102 3.886 3.681 0.205 1
1 454 . 20 1 1 A 41 41 VAL H H 102 7.936 7.928 0.008 1
1 455 . 20 1 1 A 41 41 VAL N N 102 118.168 115.654 2.514 1
1 462 . 20 1 1 A 42 42 LYS CA C 103 57.852 58.757 -0.905 1
1 463 . 20 1 1 A 42 42 LYS CB C 103 33.597 33.447 0.150 1
1 467 . 20 1 1 A 42 42 LYS HA H 103 4.242 4.349 -0.107 1
1 472 . 20 1 1 A 42 42 LYS H H 103 7.240 7.984 -0.744 1
1 473 . 20 1 1 A 42 42 LYS N N 103 118.280 118.903 -0.623 1
1 476 . 20 1 1 A 43 43 ALA CA C 104 53.615 51.489 2.126 1
1 477 . 20 1 1 A 43 43 ALA CB C 104 18.578 18.181 0.397 1
1 478 . 20 1 1 A 43 43 ALA HA H 104 4.632 4.312 0.320 1
1 479 . 20 1 1 A 43 43 ALA H H 104 7.702 7.592 0.110 1
1 480 . 20 1 1 A 43 43 ALA N N 104 122.122 120.332 1.790 1
1 484 . 20 1 1 A 44 44 VAL CA C 105 62.530 62.542 -0.012 1
1 485 . 20 1 1 A 44 44 VAL CB C 105 31.680 31.803 -0.123 1
1 488 . 20 1 1 A 44 44 VAL HA H 105 4.197 4.107 0.090 1
1 490 . 20 1 1 A 44 44 VAL H H 105 7.682 7.685 -0.003 1
1 491 . 20 1 1 A 44 44 VAL N N 105 115.037 116.606 -1.569 1
1 498 . 20 1 1 A 45 45 TYR CA C 106 57.222 57.665 -0.443 1
1 499 . 20 1 1 A 45 45 TYR CB C 106 38.651 37.978 0.673 1
1 502 . 20 1 1 A 45 45 TYR HA H 106 4.652 4.576 0.076 1
1 505 . 20 1 1 A 45 45 TYR H H 106 7.436 7.380 0.056 1
1 506 . 20 1 1 A 45 45 TYR N N 106 118.804 121.435 -2.631 1
1 510 . 20 1 1 A 46 46 ASN CB C 107 39.028 36.769 2.259 1
1 511 . 20 1 1 A 46 46 ASN HA H 107 4.959 4.299 0.660 1
1 516 . 20 1 1 A 46 46 ASN H H 107 8.614 8.052 0.562 1
1 517 . 20 1 1 A 46 46 ASN N N 107 118.495 113.790 4.705 1
1 519 . 20 1 1 A 47 47 VAL CA C 108 65.178 63.238 1.940 1
1 520 . 20 1 1 A 47 47 VAL CB C 108 32.022 29.927 2.095 1
1 523 . 20 1 1 A 47 47 VAL HA H 108 3.952 3.489 0.463 1
1 525 . 20 1 1 A 47 47 VAL H H 108 8.342 7.761 0.581 1
1 526 . 20 1 1 A 47 47 VAL N N 108 123.377 110.418 12.959 1
1 533 . 20 1 1 A 48 48 SER CA C 109 61.473 61.588 -0.115 1
1 534 . 20 1 1 A 48 48 SER CB C 109 62.248 63.933 -1.685 1
1 535 . 20 1 1 A 48 48 SER HA H 109 4.298 4.456 -0.158 1
1 536 . 20 1 1 A 48 48 SER H H 109 8.353 7.995 0.358 1
1 537 . 20 1 1 A 48 48 SER N N 109 116.439 114.995 1.444 1
1 539 . 20 1 1 A 49 49 ASP CA C 110 56.211 57.209 -0.998 1
1 540 . 20 1 1 A 49 49 ASP CB C 110 40.691 40.241 0.450 1
1 541 . 20 1 1 A 49 49 ASP HA H 110 4.534 4.192 0.342 1
1 542 . 20 1 1 A 49 49 ASP H H 110 7.832 8.353 -0.521 1
1 543 . 20 1 1 A 49 49 ASP N N 110 121.141 122.152 -1.011 1
1 545 . 20 1 1 A 50 50 PHE CA C 111 60.009 61.313 -1.304 1
1 546 . 20 1 1 A 50 50 PHE CB C 111 38.598 39.381 -0.783 1
1 550 . 20 1 1 A 50 50 PHE HA H 111 3.486 4.142 -0.656 1
1 555 . 20 1 1 A 50 50 PHE H H 111 8.044 8.010 0.034 1
1 557 . 20 1 1 A 50 50 PHE N N 111 122.621 122.038 0.583 1
1 560 . 20 1 1 A 51 51 LEU CA C 112 58.009 58.106 -0.097 1
1 561 . 20 1 1 A 51 51 LEU CB C 112 41.213 42.063 -0.850 1
1 565 . 20 1 1 A 51 51 LEU HA H 112 3.546 3.588 -0.042 1
1 569 . 20 1 1 A 51 51 LEU H H 112 8.046 8.498 -0.452 1
1 570 . 20 1 1 A 51 51 LEU N N 112 119.691 119.998 -0.307 1
1 577 . 20 1 1 A 52 52 MET CA C 113 57.696 58.370 -0.674 1
1 578 . 20 1 1 A 52 52 MET CB C 113 32.289 32.259 0.030 1
1 581 . 20 1 1 A 52 52 MET HA H 113 4.231 4.142 0.089 1
1 586 . 20 1 1 A 52 52 MET H H 113 7.563 8.330 -0.767 1
1 587 . 20 1 1 A 52 52 MET N N 113 115.770 116.930 -1.160 1
1 591 . 20 1 1 A 53 53 ALA CA C 114 54.815 55.127 -0.312 1
1 592 . 20 1 1 A 53 53 ALA CB C 114 18.369 18.360 0.009 1
1 593 . 20 1 1 A 53 53 ALA HA H 114 4.199 4.056 0.143 1
1 594 . 20 1 1 A 53 53 ALA H H 114 7.878 8.340 -0.462 1
1 595 . 20 1 1 A 53 53 ALA N N 114 121.804 122.450 -0.646 1
1 599 . 20 1 1 A 54 54 ILE CA C 115 63.259 64.591 -1.332 1
1 600 . 20 1 1 A 54 54 ILE CB C 115 36.127 37.295 -1.168 1
1 604 . 20 1 1 A 54 54 ILE HA H 115 3.767 3.587 0.180 1
1 608 . 20 1 1 A 54 54 ILE H H 115 8.202 7.896 0.306 1
1 609 . 20 1 1 A 54 54 ILE N N 115 118.054 119.370 -1.316 1
1 616 . 20 1 1 A 55 55 VAL CA C 116 68.036 65.356 2.680 1
1 617 . 20 1 1 A 55 55 VAL CB C 116 31.463 31.279 0.184 1
1 620 . 20 1 1 A 55 55 VAL HA H 116 3.509 3.881 -0.372 1
1 622 . 20 1 1 A 55 55 VAL H H 116 7.961 7.852 0.109 1
1 623 . 20 1 1 A 55 55 VAL N N 116 121.095 117.137 3.958 1
1 630 . 20 1 1 A 56 56 LYS CA C 117 59.077 58.087 0.990 1
1 631 . 20 1 1 A 56 56 LYS CB C 117 31.997 33.267 -1.270 1
1 635 . 20 1 1 A 56 56 LYS HA H 117 4.297 4.311 -0.014 1
1 638 . 20 1 1 A 56 56 LYS H H 117 8.000 7.494 0.506 1
1 639 . 20 1 1 A 56 56 LYS N N 117 118.806 121.684 -2.878 1
1 643 . 20 1 1 A 57 57 LEU CA C 118 57.515 57.951 -0.436 1
1 644 . 20 1 1 A 57 57 LEU CB C 118 42.727 41.491 1.236 1
1 648 . 20 1 1 A 57 57 LEU HA H 118 4.286 3.937 0.349 1
1 652 . 20 1 1 A 57 57 LEU H H 118 8.390 8.157 0.233 1
1 653 . 20 1 1 A 57 57 LEU N N 118 120.738 120.110 0.628 1
1 660 . 20 1 1 A 58 58 ALA CA C 119 55.695 55.664 0.031 1
1 661 . 20 1 1 A 58 58 ALA CB C 119 17.984 18.363 -0.379 1
1 662 . 20 1 1 A 58 58 ALA HA H 119 4.131 3.969 0.162 1
1 663 . 20 1 1 A 58 58 ALA H H 119 9.213 8.618 0.595 1
1 664 . 20 1 1 A 58 58 ALA N N 119 123.641 120.494 3.147 1
1 668 . 20 1 1 A 59 59 GLN CA C 120 60.234 59.011 1.223 1
1 669 . 20 1 1 A 59 59 GLN CB C 120 28.353 28.371 -0.018 1
1 671 . 20 1 1 A 59 59 GLN HA H 120 3.972 4.046 -0.074 1
1 678 . 20 1 1 A 59 59 GLN H H 120 8.649 8.262 0.387 1
1 679 . 20 1 1 A 59 59 GLN N N 120 116.453 117.246 -0.793 1
1 681 . 20 1 1 A 60 60 THR CA C 121 66.360 67.063 -0.703 1
1 682 . 20 1 1 A 60 60 THR CB C 121 68.868 68.404 0.464 1
1 684 . 20 1 1 A 60 60 THR HA H 121 4.076 3.951 0.125 1
1 686 . 20 1 1 A 60 60 THR H H 121 8.566 7.821 0.745 1
1 687 . 20 1 1 A 60 60 THR N N 121 115.479 118.244 -2.765 1
1 691 . 20 1 1 A 61 61 ASN CA C 122 57.397 55.651 1.746 1
1 692 . 20 1 1 A 61 61 ASN CB C 122 39.535 38.562 0.973 1
1 693 . 20 1 1 A 61 61 ASN HA H 122 4.626 4.534 0.092 1
1 698 . 20 1 1 A 61 61 ASN H H 122 8.433 7.945 0.488 1
1 699 . 20 1 1 A 61 61 ASN N N 122 120.652 120.297 0.355 1
1 701 . 20 1 1 A 62 62 LEU CA C 123 58.804 58.418 0.386 1
1 702 . 20 1 1 A 62 62 LEU CB C 123 42.331 41.561 0.770 1
1 706 . 20 1 1 A 62 62 LEU HA H 123 4.068 4.028 0.040 1
1 710 . 20 1 1 A 62 62 LEU H H 123 8.837 8.508 0.329 1
1 711 . 20 1 1 A 62 62 LEU N N 123 121.425 117.272 4.153 1
1 718 . 20 1 1 A 63 63 ARG CA C 124 59.647 59.644 0.003 1
1 719 . 20 1 1 A 63 63 ARG CB C 124 30.112 30.023 0.089 1
1 722 . 20 1 1 A 63 63 ARG HA H 124 4.030 3.907 0.123 1
1 727 . 20 1 1 A 63 63 ARG H H 124 7.502 7.977 -0.475 1
1 728 . 20 1 1 A 63 63 ARG N N 124 116.156 119.520 -3.364 1
1 730 . 20 1 1 A 64 64 ALA CA C 125 54.793 55.129 -0.336 1
1 731 . 20 1 1 A 64 64 ALA CB C 125 18.471 18.607 -0.136 1
1 732 . 20 1 1 A 64 64 ALA HA H 125 4.260 4.081 0.179 1
1 733 . 20 1 1 A 64 64 ALA H H 125 7.637 8.117 -0.480 1
1 734 . 20 1 1 A 64 64 ALA N N 125 121.808 121.643 0.165 1
1 738 . 20 1 1 A 65 65 ILE CA C 126 64.917 64.803 0.114 1
1 739 . 20 1 1 A 65 65 ILE CB C 126 39.599 37.750 1.849 1
1 743 . 20 1 1 A 65 65 ILE HA H 126 3.745 3.754 -0.009 1
1 747 . 20 1 1 A 65 65 ILE H H 126 8.476 7.252 1.224 1
1 748 . 20 1 1 A 65 65 ILE N N 126 117.948 117.778 0.170 1
1 755 . 20 1 1 A 66 66 ILE CA C 127 64.704 64.820 -0.116 1
1 756 . 20 1 1 A 66 66 ILE CB C 127 37.188 37.703 -0.515 1
1 760 . 20 1 1 A 66 66 ILE HA H 127 3.826 3.740 0.086 1
1 764 . 20 1 1 A 66 66 ILE H H 127 8.130 8.620 -0.490 1
1 765 . 20 1 1 A 66 66 ILE N N 127 118.919 119.691 -0.772 1
1 772 . 20 1 1 A 67 67 GLY CA C 128 46.401 47.040 -0.639 1
1 773 . 20 1 1 A 67 67 GLY HA2 H 128 4.437 3.981 0.456 1
1 774 . 20 1 1 A 67 67 GLY HA3 H 128 3.925 3.981 -0.056 1
1 775 . 20 1 1 A 67 67 GLY H H 128 7.683 8.088 -0.405 1
1 776 . 20 1 1 A 67 67 GLY N N 128 104.485 109.058 -4.573 1
1 777 . 20 1 1 A 68 68 GLU CA C 129 55.446 55.318 0.128 1
1 778 . 20 1 1 A 68 68 GLU CB C 129 30.672 31.314 -0.642 1
1 780 . 20 1 1 A 68 68 GLU HA H 129 4.589 4.804 -0.215 1
1 785 . 20 1 1 A 68 68 GLU H H 129 7.111 7.951 -0.840 1
1 786 . 20 1 1 A 68 68 GLU N N 129 115.084 116.354 -1.270 1
1 787 . 20 1 1 A 69 69 MET CA C 130 55.238 54.687 0.551 1
1 788 . 20 1 1 A 69 69 MET CB C 130 36.559 36.455 0.104 1
1 791 . 20 1 1 A 69 69 MET HA H 130 4.763 4.823 -0.060 1
1 796 . 20 1 1 A 69 69 MET H H 130 8.414 8.579 -0.165 1
1 797 . 20 1 1 A 69 69 MET N N 130 121.732 121.635 0.097 1
1 801 . 20 1 1 A 70 70 GLU CA C 131 56.474 54.914 1.560 1
1 802 . 20 1 1 A 70 70 GLU CB C 131 30.686 31.961 -1.275 1
1 804 . 20 1 1 A 70 70 GLU HA H 131 4.354 4.945 -0.591 1
1 809 . 20 1 1 A 70 70 GLU H H 131 9.395 8.605 0.790 1
1 810 . 20 1 1 A 70 70 GLU N N 131 122.754 119.700 3.054 1
1 811 . 20 1 1 A 71 71 LEU CA C 132 59.955 58.399 1.556 1
1 812 . 20 1 1 A 71 71 LEU CB C 132 40.900 41.988 -1.088 1
1 816 . 20 1 1 A 71 71 LEU HA H 132 4.454 3.952 0.502 1
1 820 . 20 1 1 A 71 71 LEU H H 132 10.320 8.863 1.457 1
1 821 . 20 1 1 A 71 71 LEU N N 132 127.791 128.801 -1.010 1
1 828 . 20 1 1 A 72 72 ASP CA C 133 57.961 56.413 1.548 1
1 829 . 20 1 1 A 72 72 ASP CB C 133 40.031 40.967 -0.936 1
1 830 . 20 1 1 A 72 72 ASP HA H 133 4.452 4.429 0.023 1
1 831 . 20 1 1 A 72 72 ASP H H 133 9.283 7.834 1.449 1
1 832 . 20 1 1 A 72 72 ASP N N 133 117.573 118.697 -1.124 1
1 834 . 20 1 1 A 73 73 GLU CA C 134 58.070 59.407 -1.337 1
1 835 . 20 1 1 A 73 73 GLU CB C 134 30.329 29.743 0.586 1
1 837 . 20 1 1 A 73 73 GLU HA H 134 4.166 4.012 0.154 1
1 842 . 20 1 1 A 73 73 GLU H H 134 7.307 7.991 -0.684 1
1 843 . 20 1 1 A 73 73 GLU N N 134 118.947 120.755 -1.808 1
1 844 . 20 1 1 A 74 74 THR CA C 135 67.017 65.807 1.210 1
1 845 . 20 1 1 A 74 74 THR CB C 135 68.224 68.210 0.014 1
1 847 . 20 1 1 A 74 74 THR HA H 135 3.966 4.040 -0.074 1
1 849 . 20 1 1 A 74 74 THR H H 135 8.334 8.581 -0.247 1
1 850 . 20 1 1 A 74 74 THR N N 135 116.702 114.298 2.404 1
1 854 . 20 1 1 A 75 75 LEU CA C 136 57.604 57.777 -0.173 1
1 855 . 20 1 1 A 75 75 LEU CB C 136 41.375 41.938 -0.563 1
1 859 . 20 1 1 A 75 75 LEU HA H 136 4.164 4.065 0.099 1
1 863 . 20 1 1 A 75 75 LEU H H 136 8.159 7.898 0.261 1
1 864 . 20 1 1 A 75 75 LEU N N 136 118.009 123.195 -5.186 1
1 871 . 20 1 1 A 76 76 SER CA C 137 58.446 57.153 1.293 1
1 872 . 20 1 1 A 76 76 SER CB C 137 63.709 64.424 -0.715 1
1 873 . 20 1 1 A 76 76 SER HA H 137 4.808 4.845 -0.037 1
1 876 . 20 1 1 A 76 76 SER H H 137 7.713 7.998 -0.285 1
1 877 . 20 1 1 A 76 76 SER N N 137 111.428 113.456 -2.028 1
1 878 . 20 1 1 A 77 77 GLY CA C 138 46.311 45.715 0.596 1
1 879 . 20 1 1 A 77 77 GLY HA2 H 138 4.815 4.148 0.667 1
1 880 . 20 1 1 A 77 77 GLY HA3 H 138 3.860 4.149 -0.289 1
1 881 . 20 1 1 A 77 77 GLY H H 138 7.779 8.066 -0.287 1
1 882 . 20 1 1 A 77 77 GLY N N 138 112.185 113.729 -1.544 1
1 883 . 20 1 1 A 78 78 ARG CA C 139 61.186 59.039 2.147 1
1 884 . 20 1 1 A 78 78 ARG CB C 139 29.871 29.746 0.125 1
1 887 . 20 1 1 A 78 78 ARG HA H 139 3.853 4.087 -0.234 1
1 892 . 20 1 1 A 78 78 ARG H H 139 8.311 7.968 0.343 1
1 893 . 20 1 1 A 78 78 ARG N N 139 121.172 119.310 1.862 1
1 895 . 20 1 1 A 79 79 ASP CA C 140 57.533 57.403 0.130 1
1 896 . 20 1 1 A 79 79 ASP CB C 140 39.905 40.812 -0.907 1
1 897 . 20 1 1 A 79 79 ASP HA H 140 4.630 4.326 0.304 1
1 900 . 20 1 1 A 79 79 ASP H H 140 8.749 8.165 0.584 1
1 901 . 20 1 1 A 79 79 ASP N N 140 114.843 119.407 -4.564 1
1 902 . 20 1 1 A 80 80 ILE CA C 141 63.732 63.585 0.147 1
1 903 . 20 1 1 A 80 80 ILE CB C 141 38.239 37.890 0.349 1
1 907 . 20 1 1 A 80 80 ILE HA H 141 4.070 4.014 0.056 1
1 911 . 20 1 1 A 80 80 ILE H H 141 7.565 7.471 0.094 1
1 912 . 20 1 1 A 80 80 ILE N N 141 121.986 119.150 2.836 1
1 919 . 20 1 1 A 81 81 ILE CA C 142 66.387 65.670 0.717 1
1 920 . 20 1 1 A 81 81 ILE CB C 142 38.194 38.011 0.183 1
1 924 . 20 1 1 A 81 81 ILE HA H 142 3.531 3.440 0.091 1
1 928 . 20 1 1 A 81 81 ILE H H 142 8.309 7.660 0.649 1
1 929 . 20 1 1 A 81 81 ILE N N 142 121.735 121.879 -0.144 1
1 936 . 20 1 1 A 82 82 ASN CA C 143 56.121 56.068 0.053 1
1 937 . 20 1 1 A 82 82 ASN CB C 143 38.023 37.836 0.187 1
1 938 . 20 1 1 A 82 82 ASN HA H 143 4.369 4.432 -0.063 1
1 941 . 20 1 1 A 82 82 ASN H H 143 8.919 8.934 -0.015 1
1 942 . 20 1 1 A 82 82 ASN N N 143 118.128 118.368 -0.240 1
1 946 . 20 1 1 A 83 83 ALA CA C 144 55.230 55.433 -0.203 1
1 947 . 20 1 1 A 83 83 ALA CB C 144 18.378 18.565 -0.187 1
1 948 . 20 1 1 A 83 83 ALA HA H 144 4.310 4.046 0.264 1
1 949 . 20 1 1 A 83 83 ALA H H 144 7.687 8.203 -0.516 1
1 950 . 20 1 1 A 83 83 ALA N N 144 122.048 121.194 0.854 1
1 954 . 20 1 1 A 84 84 ARG CA C 145 58.842 59.277 -0.435 1
1 955 . 20 1 1 A 84 84 ARG CB C 145 30.415 30.037 0.378 1
1 958 . 20 1 1 A 84 84 ARG HA H 145 4.297 3.934 0.363 1
1 963 . 20 1 1 A 84 84 ARG H H 145 8.579 7.818 0.761 1
1 964 . 20 1 1 A 84 84 ARG N N 145 119.430 118.004 1.426 1
1 966 . 20 1 1 A 85 85 LEU CA C 146 57.861 57.722 0.139 1
1 967 . 20 1 1 A 85 85 LEU CB C 146 41.584 41.732 -0.148 1
1 971 . 20 1 1 A 85 85 LEU HA H 146 4.054 3.975 0.079 1
1 975 . 20 1 1 A 85 85 LEU H H 146 9.083 7.867 1.216 1
1 976 . 20 1 1 A 85 85 LEU N N 146 119.149 120.546 -1.397 1
1 983 . 20 1 1 A 86 86 ARG CA C 147 60.723 59.195 1.528 1
1 984 . 20 1 1 A 86 86 ARG CB C 147 29.549 29.903 -0.354 1
1 987 . 20 1 1 A 86 86 ARG HA H 147 3.774 4.005 -0.231 1
1 992 . 20 1 1 A 86 86 ARG H H 147 7.971 8.546 -0.575 1
1 993 . 20 1 1 A 86 86 ARG N N 147 118.395 118.734 -0.339 1
1 995 . 20 1 1 A 87 87 GLU CA C 148 59.392 59.123 0.269 1
1 996 . 20 1 1 A 87 87 GLU CB C 148 29.740 29.646 0.094 1
1 998 . 20 1 1 A 87 87 GLU HA H 148 4.120 4.006 0.114 1
1 1003 . 20 1 1 A 87 87 GLU H H 148 7.895 7.705 0.190 1
1 1004 . 20 1 1 A 87 87 GLU N N 148 116.934 118.926 -1.992 1
1 1005 . 20 1 1 A 88 88 GLU CA C 149 58.455 59.055 -0.600 1
1 1006 . 20 1 1 A 88 88 GLU CB C 149 29.306 29.277 0.029 1
1 1008 . 20 1 1 A 88 88 GLU HA H 149 4.279 4.039 0.240 1
1 1013 . 20 1 1 A 88 88 GLU H H 149 8.228 8.480 -0.252 1
1 1014 . 20 1 1 A 88 88 GLU N N 149 116.458 118.469 -2.011 1
1 1015 . 20 1 1 A 89 89 LEU CA C 150 57.767 56.202 1.565 1
1 1016 . 20 1 1 A 89 89 LEU CB C 150 42.450 43.000 -0.550 1
1 1020 . 20 1 1 A 89 89 LEU HA H 150 4.239 4.295 -0.056 1
1 1024 . 20 1 1 A 89 89 LEU H H 150 8.401 7.716 0.685 1
1 1025 . 20 1 1 A 89 89 LEU N N 150 117.854 118.002 -0.148 1
1 1032 . 20 1 1 A 90 90 ASP CA C 151 56.503 56.261 0.242 1
1 1033 . 20 1 1 A 90 90 ASP CB C 151 42.435 40.693 1.742 1
1 1034 . 20 1 1 A 90 90 ASP HA H 151 5.034 4.585 0.449 1
1 1037 . 20 1 1 A 90 90 ASP H H 151 8.524 8.202 0.322 1
1 1038 . 20 1 1 A 90 90 ASP N N 151 118.978 119.111 -0.133 1
1 1039 . 20 1 1 A 91 91 LYS CA C 152 58.455 57.751 0.704 1
1 1040 . 20 1 1 A 91 91 LYS CB C 152 33.021 33.363 -0.342 1
1 1044 . 20 1 1 A 91 91 LYS HA H 152 4.279 4.299 -0.020 1
1 1049 . 20 1 1 A 91 91 LYS H H 152 7.348 7.738 -0.390 1
1 1050 . 20 1 1 A 91 91 LYS N N 152 114.172 116.006 -1.834 1
1 1053 . 20 1 1 A 92 92 ILE CA C 153 61.448 60.629 0.819 1
1 1054 . 20 1 1 A 92 92 ILE CB C 153 39.068 37.335 1.733 1
1 1058 . 20 1 1 A 92 92 ILE HA H 153 4.427 4.117 0.310 1
1 1062 . 20 1 1 A 92 92 ILE H H 153 7.597 7.559 0.038 1
1 1063 . 20 1 1 A 92 92 ILE N N 153 114.441 118.712 -4.271 1
1 1070 . 20 1 1 A 93 93 THR CA C 154 65.433 62.133 3.300 1
1 1071 . 20 1 1 A 93 93 THR CB C 154 67.799 70.285 -2.486 1
1 1073 . 20 1 1 A 93 93 THR HA H 154 3.879 4.415 -0.536 1
1 1075 . 20 1 1 A 93 93 THR H H 154 8.195 7.408 0.787 1
1 1076 . 20 1 1 A 93 93 THR N N 154 110.253 113.044 -2.791 1
1 1080 . 20 1 1 A 94 94 ASP CA C 155 57.822 56.609 1.213 1
1 1081 . 20 1 1 A 94 94 ASP CB C 155 41.397 39.766 1.631 1
1 1082 . 20 1 1 A 94 94 ASP HA H 155 4.514 4.317 0.197 1
1 1085 . 20 1 1 A 94 94 ASP H H 155 8.474 8.388 0.086 1
1 1086 . 20 1 1 A 94 94 ASP N N 155 124.348 121.519 2.829 1
1 1087 . 20 1 1 A 95 95 ARG CA C 156 57.783 58.158 -0.375 1
1 1088 . 20 1 1 A 95 95 ARG CB C 156 29.386 30.062 -0.676 1
1 1091 . 20 1 1 A 95 95 ARG HA H 156 4.173 4.165 0.008 1
1 1096 . 20 1 1 A 95 95 ARG H H 156 7.680 8.287 -0.607 1
1 1097 . 20 1 1 A 95 95 ARG N N 156 117.839 118.540 -0.701 1
1 1099 . 20 1 1 A 96 96 TRP CB C 157 29.856 29.844 0.012 1
1 1105 . 20 1 1 A 96 96 TRP HA H 157 4.943 4.788 0.155 1
1 1112 . 20 1 1 A 96 96 TRP H H 157 7.880 7.646 0.234 1
1 1115 . 20 1 1 A 96 96 TRP N N 157 117.944 119.093 -1.149 1
1 1117 . 20 1 1 A 97 97 GLY CA C 158 46.688 46.315 0.373 1
1 1118 . 20 1 1 A 97 97 GLY HA2 H 158 4.411 4.005 0.406 1
1 1119 . 20 1 1 A 97 97 GLY HA3 H 158 4.249 4.019 0.230 1
1 1120 . 20 1 1 A 97 97 GLY H H 158 7.972 8.071 -0.099 1
1 1121 . 20 1 1 A 97 97 GLY N N 158 104.253 109.488 -5.235 1
1 1122 . 20 1 1 A 98 98 VAL CA C 159 60.417 59.165 1.252 1
1 1123 . 20 1 1 A 98 98 VAL CB C 159 36.365 35.579 0.786 1
1 1126 . 20 1 1 A 98 98 VAL HA H 159 5.012 4.740 0.272 1
1 1128 . 20 1 1 A 98 98 VAL H H 159 7.468 7.777 -0.309 1
1 1129 . 20 1 1 A 98 98 VAL N N 159 115.979 120.300 -4.321 1
1 1136 . 20 1 1 A 99 99 LYS CA C 160 53.521 54.474 -0.953 1
1 1137 . 20 1 1 A 99 99 LYS CB C 160 36.083 36.323 -0.240 1
1 1141 . 20 1 1 A 99 99 LYS HA H 160 5.053 5.111 -0.058 1
1 1148 . 20 1 1 A 99 99 LYS H H 160 9.259 8.878 0.381 1
1 1149 . 20 1 1 A 99 99 LYS N N 160 126.977 124.200 2.777 1
1 1151 . 20 1 1 A 100 100 ILE CB C 161 35.185 37.254 -2.069 1
1 1155 . 20 1 1 A 100 100 ILE HA H 161 4.896 4.458 0.438 1
1 1159 . 20 1 1 A 100 100 ILE H H 161 9.310 9.021 0.289 1
1 1160 . 20 1 1 A 100 100 ILE N N 161 127.468 123.861 3.607 1
1 1167 . 20 1 1 A 101 101 THR CA C 162 63.075 65.502 -2.427 1
1 1168 . 20 1 1 A 101 101 THR CB C 162 67.345 68.936 -1.591 1
1 1170 . 20 1 1 A 101 101 THR HA H 162 4.254 4.082 0.172 1
1 1172 . 20 1 1 A 101 101 THR H H 162 8.783 8.531 0.252 1
1 1173 . 20 1 1 A 101 101 THR N N 162 120.609 121.219 -0.610 1
1 1177 . 20 1 1 A 102 102 ARG CA C 163 55.929 54.899 1.030 1
1 1178 . 20 1 1 A 102 102 ARG CB C 163 32.468 32.185 0.283 1
1 1181 . 20 1 1 A 102 102 ARG HA H 163 4.606 4.662 -0.056 1
1 1188 . 20 1 1 A 102 102 ARG H H 163 7.669 7.666 0.003 1
1 1189 . 20 1 1 A 102 102 ARG N N 163 118.258 118.265 -0.007 1
1 1190 . 20 1 1 A 103 103 VAL CB C 164 35.090 35.895 -0.805 1
1 1193 . 20 1 1 A 103 103 VAL HA H 164 4.886 4.758 0.128 1
1 1195 . 20 1 1 A 103 103 VAL H H 164 8.700 8.317 0.383 1
1 1196 . 20 1 1 A 103 103 VAL N N 164 122.135 119.124 3.011 1
1 1203 . 20 1 1 A 104 104 GLU CA C 165 54.469 54.374 0.095 1
1 1204 . 20 1 1 A 104 104 GLU CB C 165 33.028 33.972 -0.944 1
1 1206 . 20 1 1 A 104 104 GLU HA H 165 4.835 5.115 -0.280 1
1 1209 . 20 1 1 A 104 104 GLU H H 165 9.011 8.555 0.456 1
1 1210 . 20 1 1 A 104 104 GLU N N 165 123.789 124.801 -1.012 1
1 1212 . 20 1 1 A 105 105 ILE CA C 166 61.576 59.749 1.827 1
1 1213 . 20 1 1 A 105 105 ILE CB C 166 37.908 40.150 -2.242 1
1 1217 . 20 1 1 A 105 105 ILE HA H 166 4.525 4.776 -0.251 1
1 1219 . 20 1 1 A 105 105 ILE H H 166 9.869 8.923 0.946 1
1 1220 . 20 1 1 A 105 105 ILE N N 166 130.058 123.829 6.229 1
1 1229 . 20 1 1 A 106 106 GLN CA C 167 55.964 54.148 1.816 1
1 1230 . 20 1 1 A 106 106 GLN CB C 167 28.789 30.987 -2.198 1
1 1232 . 20 1 1 A 106 106 GLN HA H 167 4.661 4.687 -0.026 1
1 1239 . 20 1 1 A 106 106 GLN H H 167 8.573 8.407 0.166 1
1 1240 . 20 1 1 A 106 106 GLN N N 167 127.576 125.516 2.060 1
1 1242 . 20 1 1 A 107 107 ARG CA C 168 56.113 56.223 -0.110 1
1 1243 . 20 1 1 A 107 107 ARG CB C 168 32.098 30.527 1.571 1
1 1246 . 20 1 1 A 107 107 ARG HA H 168 4.468 4.191 0.277 1
1 1251 . 20 1 1 A 107 107 ARG H H 168 8.762 8.379 0.383 1
1 1252 . 20 1 1 A 107 107 ARG N N 168 122.725 121.563 1.162 1
1 1254 . 20 1 1 A 108 108 ILE CA C 169 61.618 59.537 2.081 1
1 1255 . 20 1 1 A 108 108 ILE CB C 169 39.583 41.315 -1.732 1
1 1259 . 20 1 1 A 108 108 ILE HA H 169 4.451 4.952 -0.501 1
1 1263 . 20 1 1 A 108 108 ILE H H 169 7.996 8.430 -0.434 1
1 1264 . 20 1 1 A 108 108 ILE N N 169 120.383 121.694 -1.311 1
1 1271 . 20 1 1 A 109 109 ASP CA C 170 51.571 50.213 1.358 1
1 1272 . 20 1 1 A 109 109 ASP CB C 170 42.763 42.317 0.446 1
1 1273 . 20 1 1 A 109 109 ASP HA H 170 5.579 5.099 0.480 1
1 1276 . 20 1 1 A 109 109 ASP H H 170 9.067 8.675 0.392 1
1 1277 . 20 1 1 A 109 109 ASP N N 170 126.604 124.168 2.436 1
1 1278 . 20 1 1 A 110 110 PRO CA C 171 61.302 61.400 -0.098 1
1 1279 . 20 1 1 A 110 110 PRO CB C 171 30.857 31.320 -0.463 1
1 1282 . 20 1 1 A 110 110 PRO HA H 171 5.081 4.729 0.352 1
1 1288 . 20 1 1 A 111 111 PRO CA C 172 63.367 62.825 0.542 1
1 1289 . 20 1 1 A 111 111 PRO CB C 172 32.050 32.501 -0.451 1
1 1292 . 20 1 1 A 111 111 PRO HA H 172 4.568 4.539 0.029 1
1 1298 . 20 1 1 A 112 112 LYS CA C 173 55.951 55.586 0.365 1
1 1299 . 20 1 1 A 112 112 LYS CB C 173 33.412 33.585 -0.173 1
1 1303 . 20 1 1 A 112 112 LYS HA H 173 4.465 4.374 0.091 1
1 1306 . 20 1 1 A 112 112 LYS H H 173 8.533 8.230 0.303 1
1 1307 . 20 1 1 A 112 112 LYS N N 173 122.499 119.074 3.425 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 100 1.107 1
3 1 1 1 "RMS(OBS, PRED)" CB 108 1.058 1
4 1 1 1 "RMS(OBS, PRED)" H 105 0.577 1
5 1 1 1 "RMS(OBS, PRED)" HA 114 0.301 1
6 1 1 1 "RMS(OBS, PRED)" N 105 2.904 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 100 1.221 1
9 1 2 1 "RMS(OBS, PRED)" CB 108 1.112 1
10 1 2 1 "RMS(OBS, PRED)" H 105 0.574 1
11 1 2 1 "RMS(OBS, PRED)" HA 114 0.281 1
12 1 2 1 "RMS(OBS, PRED)" N 105 2.810 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 100 1.216 1
15 1 3 1 "RMS(OBS, PRED)" CB 108 1.097 1
16 1 3 1 "RMS(OBS, PRED)" H 105 0.551 1
17 1 3 1 "RMS(OBS, PRED)" HA 114 0.298 1
18 1 3 1 "RMS(OBS, PRED)" N 105 3.012 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 100 1.157 1
21 1 4 1 "RMS(OBS, PRED)" CB 108 1.059 1
22 1 4 1 "RMS(OBS, PRED)" H 105 0.566 1
23 1 4 1 "RMS(OBS, PRED)" HA 114 0.317 1
24 1 4 1 "RMS(OBS, PRED)" N 105 2.895 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 100 1.120 1
27 1 5 1 "RMS(OBS, PRED)" CB 108 1.143 1
28 1 5 1 "RMS(OBS, PRED)" H 105 0.549 1
29 1 5 1 "RMS(OBS, PRED)" HA 114 0.304 1
30 1 5 1 "RMS(OBS, PRED)" N 105 2.783 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 100 1.127 1
33 1 6 1 "RMS(OBS, PRED)" CB 108 1.054 1
34 1 6 1 "RMS(OBS, PRED)" H 105 0.584 1
35 1 6 1 "RMS(OBS, PRED)" HA 114 0.307 1
36 1 6 1 "RMS(OBS, PRED)" N 105 3.036 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 100 1.071 1
39 1 7 1 "RMS(OBS, PRED)" CB 108 1.147 1
40 1 7 1 "RMS(OBS, PRED)" H 105 0.552 1
41 1 7 1 "RMS(OBS, PRED)" HA 114 0.283 1
42 1 7 1 "RMS(OBS, PRED)" N 105 3.026 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 100 1.043 1
45 1 8 1 "RMS(OBS, PRED)" CB 108 1.091 1
46 1 8 1 "RMS(OBS, PRED)" H 105 0.549 1
47 1 8 1 "RMS(OBS, PRED)" HA 114 0.312 1
48 1 8 1 "RMS(OBS, PRED)" N 105 2.669 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 100 1.185 1
51 1 9 1 "RMS(OBS, PRED)" CB 108 1.101 1
52 1 9 1 "RMS(OBS, PRED)" H 105 0.544 1
53 1 9 1 "RMS(OBS, PRED)" HA 114 0.298 1
54 1 9 1 "RMS(OBS, PRED)" N 105 2.831 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 100 1.111 1
57 1 10 1 "RMS(OBS, PRED)" CB 108 1.089 1
58 1 10 1 "RMS(OBS, PRED)" H 105 0.574 1
59 1 10 1 "RMS(OBS, PRED)" HA 114 0.311 1
60 1 10 1 "RMS(OBS, PRED)" N 105 2.938 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 100 1.098 1
63 1 11 1 "RMS(OBS, PRED)" CB 108 1.142 1
64 1 11 1 "RMS(OBS, PRED)" H 105 0.539 1
65 1 11 1 "RMS(OBS, PRED)" HA 114 0.301 1
66 1 11 1 "RMS(OBS, PRED)" N 105 2.648 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 100 1.149 1
69 1 12 1 "RMS(OBS, PRED)" CB 108 1.072 1
70 1 12 1 "RMS(OBS, PRED)" H 105 0.554 1
71 1 12 1 "RMS(OBS, PRED)" HA 114 0.298 1
72 1 12 1 "RMS(OBS, PRED)" N 105 2.534 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 100 0.976 1
75 1 13 1 "RMS(OBS, PRED)" CB 108 1.098 1
76 1 13 1 "RMS(OBS, PRED)" H 105 0.538 1
77 1 13 1 "RMS(OBS, PRED)" HA 114 0.286 1
78 1 13 1 "RMS(OBS, PRED)" N 105 2.802 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 100 1.167 1
81 1 14 1 "RMS(OBS, PRED)" CB 108 1.091 1
82 1 14 1 "RMS(OBS, PRED)" H 105 0.545 1
83 1 14 1 "RMS(OBS, PRED)" HA 114 0.311 1
84 1 14 1 "RMS(OBS, PRED)" N 105 2.872 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 100 1.109 1
87 1 15 1 "RMS(OBS, PRED)" CB 108 1.124 1
88 1 15 1 "RMS(OBS, PRED)" H 105 0.547 1
89 1 15 1 "RMS(OBS, PRED)" HA 114 0.300 1
90 1 15 1 "RMS(OBS, PRED)" N 105 2.928 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 100 1.156 1
93 1 16 1 "RMS(OBS, PRED)" CB 108 1.074 1
94 1 16 1 "RMS(OBS, PRED)" H 105 0.564 1
95 1 16 1 "RMS(OBS, PRED)" HA 114 0.314 1
96 1 16 1 "RMS(OBS, PRED)" N 105 2.769 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 100 1.068 1
99 1 17 1 "RMS(OBS, PRED)" CB 108 1.103 1
100 1 17 1 "RMS(OBS, PRED)" H 105 0.580 1
101 1 17 1 "RMS(OBS, PRED)" HA 114 0.308 1
102 1 17 1 "RMS(OBS, PRED)" N 105 2.665 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 100 1.131 1
105 1 18 1 "RMS(OBS, PRED)" CB 108 1.134 1
106 1 18 1 "RMS(OBS, PRED)" H 105 0.559 1
107 1 18 1 "RMS(OBS, PRED)" HA 114 0.310 1
108 1 18 1 "RMS(OBS, PRED)" N 105 2.983 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 100 1.147 1
111 1 19 1 "RMS(OBS, PRED)" CB 108 1.084 1
112 1 19 1 "RMS(OBS, PRED)" H 105 0.563 1
113 1 19 1 "RMS(OBS, PRED)" HA 114 0.301 1
114 1 19 1 "RMS(OBS, PRED)" N 105 2.789 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 100 1.079 1
117 1 20 1 "RMS(OBS, PRED)" CB 108 1.110 1
118 1 20 1 "RMS(OBS, PRED)" H 105 0.545 1
119 1 20 1 "RMS(OBS, PRED)" HA 114 0.280 1
120 1 20 1 "RMS(OBS, PRED)" N 105 2.955 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 SER HA H 63 4.660 4.788 -0.128 2
1 4 . 1 1 A 2 2 SER CB C 63 63.645 65.124 -1.479 2
1 5 . 1 1 A 3 3 ASP HA H 64 4.688 4.531 0.157 2
1 8 . 1 1 A 3 3 ASP H H 64 8.603 8.640 -0.037 2
1 9 . 1 1 A 3 3 ASP CA C 64 54.354 55.612 -1.258 2
1 10 . 1 1 A 3 3 ASP CB C 64 40.980 41.141 -0.161 2
1 11 . 1 1 A 3 3 ASP N N 64 122.069 123.786 -1.717 2
1 12 . 1 1 A 4 4 HIS HA H 65 4.735 4.865 -0.130 2
1 17 . 1 1 A 4 4 HIS H H 65 8.354 8.083 0.271 2
1 18 . 1 1 A 4 4 HIS CA C 65 56.220 55.302 0.918 2
1 19 . 1 1 A 4 4 HIS CB C 65 30.570 30.767 -0.197 2
1 22 . 1 1 A 4 4 HIS N N 65 119.219 117.219 2.000 2
1 29 . 1 1 A 5 5 VAL HA H 66 4.183 4.655 -0.472 2
1 31 . 1 1 A 5 5 VAL H H 66 8.073 8.802 -0.729 2
1 32 . 1 1 A 5 5 VAL CA C 66 62.127 60.182 1.945 2
1 33 . 1 1 A 5 5 VAL CB C 66 32.960 34.317 -1.357 2
1 36 . 1 1 A 5 5 VAL N N 66 121.775 120.095 1.680 2
1 37 . 1 1 A 6 6 ASP CA C 67 53.727 53.611 0.116 2
1 38 . 1 1 A 6 6 ASP CB C 67 41.472 42.936 -1.464 2
1 39 . 1 1 A 6 6 ASP HA H 67 4.771 4.936 -0.165 2
1 42 . 1 1 A 6 6 ASP H H 67 8.615 8.629 -0.014 2
1 43 . 1 1 A 6 6 ASP N N 67 124.725 124.106 0.619 2
1 44 . 1 1 A 7 7 LEU CA C 68 54.586 55.315 -0.729 2
1 45 . 1 1 A 7 7 LEU CB C 68 41.657 41.105 0.552 2
1 49 . 1 1 A 7 7 LEU HA H 68 4.556 4.241 0.315 2
1 53 . 1 1 A 7 7 LEU H H 68 8.441 8.508 -0.067 2
1 54 . 1 1 A 7 7 LEU N N 68 123.747 122.324 1.423 2
1 61 . 1 1 A 8 8 ARG CA C 69 56.247 56.102 0.145 2
1 62 . 1 1 A 8 8 ARG CB C 69 30.828 30.504 0.324 2
1 65 . 1 1 A 8 8 ARG HA H 69 4.253 4.196 0.057 2
1 70 . 1 1 A 8 8 ARG H H 69 8.209 7.597 0.612 2
1 71 . 1 1 A 8 8 ARG N N 69 121.063 119.572 1.491 2
1 73 . 1 1 A 9 9 GLU CA C 70 55.691 55.132 0.560 2
1 74 . 1 1 A 9 9 GLU CB C 70 31.777 31.604 0.173 2
1 76 . 1 1 A 9 9 GLU HA H 70 4.655 4.523 0.132 2
1 79 . 1 1 A 9 9 GLU H H 70 8.338 8.462 -0.124 2
1 80 . 1 1 A 9 9 GLU N N 70 121.677 122.796 -1.119 2
1 82 . 1 1 A 10 10 HIS CA C 71 54.619 54.014 0.605 2
1 83 . 1 1 A 10 10 HIS CB C 71 32.189 32.392 -0.203 2
1 86 . 1 1 A 10 10 HIS HA H 71 4.716 4.878 -0.162 2
1 91 . 1 1 A 10 10 HIS H H 71 9.043 8.663 0.380 2
1 92 . 1 1 A 10 10 HIS N N 71 125.575 119.571 6.004 2
1 93 . 1 1 A 11 11 VAL CA C 72 60.567 60.130 0.437 2
1 94 . 1 1 A 11 11 VAL CB C 72 35.380 33.790 1.590 2
1 97 . 1 1 A 11 11 VAL HA H 72 4.951 4.640 0.311 2
1 99 . 1 1 A 11 11 VAL H H 72 8.218 8.719 -0.501 2
1 100 . 1 1 A 11 11 VAL N N 72 117.348 121.325 -3.977 2
1 107 . 1 1 A 12 12 ILE CA C 73 59.857 60.058 -0.201 2
1 108 . 1 1 A 12 12 ILE CB C 73 41.969 39.520 2.449 2
1 112 . 1 1 A 12 12 ILE HA H 73 4.464 4.887 -0.423 2
1 116 . 1 1 A 12 12 ILE H H 73 9.272 9.175 0.097 2
1 117 . 1 1 A 12 12 ILE N N 73 126.908 128.267 -1.359 2
1 124 . 1 1 A 13 13 ASP CB C 74 41.534 41.425 0.109 2
1 125 . 1 1 A 13 13 ASP HA H 74 4.885 5.010 -0.125 2
1 128 . 1 1 A 13 13 ASP H H 74 8.501 8.892 -0.391 2
1 129 . 1 1 A 13 13 ASP N N 74 126.253 128.413 -2.160 2
1 130 . 1 1 A 14 14 VAL CA C 75 59.550 58.746 0.804 2
1 131 . 1 1 A 14 14 VAL CB C 75 32.270 34.118 -1.848 2
1 134 . 1 1 A 14 14 VAL HA H 75 4.491 4.713 -0.223 2
1 136 . 1 1 A 14 14 VAL H H 75 8.758 8.863 -0.105 2
1 137 . 1 1 A 14 14 VAL N N 75 124.997 124.752 0.245 2
1 144 . 1 1 A 15 15 PRO CB C 76 30.981 31.689 -0.708 2
1 147 . 1 1 A 15 15 PRO HA H 76 4.837 4.698 0.139 2
1 153 . 1 1 A 16 16 PRO CB C 77 32.267 32.978 -0.711 2
1 156 . 1 1 A 16 16 PRO HA H 77 4.881 4.878 0.003 2
1 162 . 1 1 A 17 17 GLN CA C 78 53.332 54.809 -1.477 2
1 163 . 1 1 A 17 17 GLN CB C 78 33.352 32.215 1.137 2
1 165 . 1 1 A 17 17 GLN HA H 78 4.768 4.690 0.078 2
1 170 . 1 1 A 17 17 GLN H H 78 8.612 8.354 0.258 2
1 171 . 1 1 A 17 17 GLN N N 78 119.550 120.578 -1.028 2
1 175 . 1 1 A 18 18 GLU CA C 79 55.955 56.235 -0.280 2
1 176 . 1 1 A 18 18 GLU CB C 79 30.087 30.178 -0.091 2
1 178 . 1 1 A 18 18 GLU HA H 79 5.070 4.786 0.284 2
1 183 . 1 1 A 18 18 GLU H H 79 8.626 8.749 -0.123 2
1 184 . 1 1 A 18 18 GLU N N 79 123.226 125.651 -2.425 2
1 185 . 1 1 A 19 19 VAL CA C 80 60.191 59.947 0.244 2
1 186 . 1 1 A 19 19 VAL CB C 80 34.901 34.998 -0.097 2
1 189 . 1 1 A 19 19 VAL HA H 80 4.562 4.739 -0.176 2
1 191 . 1 1 A 19 19 VAL H H 80 9.568 8.321 1.247 2
1 192 . 1 1 A 19 19 VAL N N 80 123.365 120.722 2.643 2
1 199 . 1 1 A 20 20 ILE CA C 81 60.810 61.374 -0.564 2
1 200 . 1 1 A 20 20 ILE CB C 81 39.198 37.301 1.897 2
1 204 . 1 1 A 20 20 ILE HA H 81 4.678 4.127 0.551 2
1 208 . 1 1 A 20 20 ILE H H 81 8.048 8.713 -0.665 2
1 209 . 1 1 A 20 20 ILE N N 81 122.564 126.009 -3.445 2
1 216 . 1 1 A 21 21 CYS CB C 82 29.386 28.761 0.625 2
1 217 . 1 1 A 21 21 CYS HA H 82 4.932 4.531 0.401 2
1 220 . 1 1 A 21 21 CYS H H 82 8.796 8.928 -0.132 2
1 221 . 1 1 A 21 21 CYS N N 82 125.960 126.819 -0.859 2
1 222 . 1 1 A 22 22 LYS CA C 83 59.330 59.257 0.073 2
1 223 . 1 1 A 22 22 LYS CB C 83 33.478 32.334 1.144 2
1 227 . 1 1 A 22 22 LYS HA H 83 4.096 4.031 0.065 2
1 234 . 1 1 A 22 22 LYS H H 83 8.735 8.671 0.064 2
1 235 . 1 1 A 22 22 LYS N N 83 123.785 124.968 -1.183 2
1 237 . 1 1 A 23 23 ASP CA C 84 53.011 53.215 -0.204 2
1 238 . 1 1 A 23 23 ASP CB C 84 38.642 40.575 -1.933 2
1 239 . 1 1 A 23 23 ASP HA H 84 4.694 4.739 -0.045 2
1 242 . 1 1 A 23 23 ASP H H 84 8.667 7.755 0.912 2
1 243 . 1 1 A 23 23 ASP N N 84 112.676 117.481 -4.805 2
1 244 . 1 1 A 24 24 ASN CA C 85 54.989 54.313 0.676 2
1 245 . 1 1 A 24 24 ASN CB C 85 36.698 36.927 -0.229 2
1 246 . 1 1 A 24 24 ASN HA H 85 4.321 4.313 0.008 2
1 251 . 1 1 A 24 24 ASN H H 85 8.264 7.806 0.459 2
1 252 . 1 1 A 24 24 ASN N N 85 112.321 115.222 -2.901 2
1 254 . 1 1 A 25 25 VAL CA C 86 61.920 61.203 0.717 2
1 255 . 1 1 A 25 25 VAL CB C 86 33.581 33.244 0.337 2
1 258 . 1 1 A 25 25 VAL HA H 86 4.247 4.387 -0.140 2
1 260 . 1 1 A 25 25 VAL H H 86 6.817 7.642 -0.825 2
1 261 . 1 1 A 25 25 VAL N N 86 117.663 118.774 -1.111 2
1 268 . 1 1 A 26 26 VAL CA C 87 62.127 62.351 -0.224 2
1 269 . 1 1 A 26 26 VAL CB C 87 32.468 31.721 0.747 2
1 272 . 1 1 A 26 26 VAL HA H 87 4.710 4.421 0.289 2
1 274 . 1 1 A 26 26 VAL H H 87 8.467 8.728 -0.261 2
1 275 . 1 1 A 26 26 VAL N N 87 128.149 128.771 -0.622 2
1 282 . 1 1 A 27 27 VAL CA C 88 58.409 59.119 -0.710 2
1 283 . 1 1 A 27 27 VAL CB C 88 34.991 35.840 -0.849 2
1 286 . 1 1 A 27 27 VAL HA H 88 4.995 4.963 0.032 2
1 288 . 1 1 A 27 27 VAL H H 88 8.983 8.651 0.332 2
1 289 . 1 1 A 27 27 VAL N N 88 119.421 122.051 -2.630 2
1 296 . 1 1 A 28 28 THR CA C 89 62.180 62.317 -0.137 2
1 297 . 1 1 A 28 28 THR CB C 89 69.351 69.541 -0.190 2
1 299 . 1 1 A 28 28 THR HA H 89 5.249 4.823 0.426 2
1 301 . 1 1 A 28 28 THR H H 89 8.544 8.609 -0.065 2
1 302 . 1 1 A 28 28 THR N N 89 118.810 118.987 -0.177 2
1 306 . 1 1 A 29 29 VAL CA C 90 58.826 59.661 -0.835 2
1 307 . 1 1 A 29 29 VAL CB C 90 36.035 34.766 1.269 2
1 310 . 1 1 A 29 29 VAL HA H 90 5.527 5.007 0.520 2
1 312 . 1 1 A 29 29 VAL H H 90 8.818 8.831 -0.013 2
1 313 . 1 1 A 29 29 VAL N N 90 123.670 125.683 -2.013 2
1 320 . 1 1 A 30 30 ASP CA C 91 52.821 53.197 -0.376 2
1 321 . 1 1 A 30 30 ASP CB C 91 42.960 44.772 -1.812 2
1 322 . 1 1 A 30 30 ASP HA H 91 4.785 5.401 -0.616 2
1 325 . 1 1 A 30 30 ASP H H 91 8.478 8.922 -0.444 2
1 326 . 1 1 A 30 30 ASP N N 91 125.411 124.566 0.845 2
1 327 . 1 1 A 31 31 ALA CA C 92 51.718 51.231 0.487 2
1 328 . 1 1 A 31 31 ALA CB C 92 22.216 23.569 -1.353 2
1 329 . 1 1 A 31 31 ALA HA H 92 5.268 4.949 0.319 2
1 330 . 1 1 A 31 31 ALA H H 92 8.075 8.426 -0.351 2
1 331 . 1 1 A 31 31 ALA N N 92 116.806 122.302 -5.496 2
1 335 . 1 1 A 32 32 VAL CB C 93 34.772 34.232 0.540 2
1 338 . 1 1 A 32 32 VAL HA H 93 4.901 5.006 -0.105 2
1 340 . 1 1 A 32 32 VAL H H 93 8.306 8.728 -0.422 2
1 341 . 1 1 A 32 32 VAL N N 93 117.482 114.699 2.783 2
1 348 . 1 1 A 33 33 VAL CA C 94 61.058 61.095 -0.037 2
1 349 . 1 1 A 33 33 VAL CB C 94 34.773 35.376 -0.603 2
1 352 . 1 1 A 33 33 VAL HA H 94 4.515 4.843 -0.328 2
1 354 . 1 1 A 33 33 VAL H H 94 8.873 8.544 0.329 2
1 355 . 1 1 A 33 33 VAL N N 94 124.653 121.674 2.978 2
1 362 . 1 1 A 34 34 TYR CA C 95 56.333 57.782 -1.449 2
1 363 . 1 1 A 34 34 TYR CB C 95 40.336 40.837 -0.501 2
1 366 . 1 1 A 34 34 TYR HA H 95 5.834 5.506 0.328 2
1 371 . 1 1 A 34 34 TYR H H 95 8.989 8.774 0.215 2
1 372 . 1 1 A 34 34 TYR N N 95 126.081 127.135 -1.054 2
1 375 . 1 1 A 35 35 TYR CA C 96 55.679 56.570 -0.891 2
1 376 . 1 1 A 35 35 TYR CB C 96 42.824 41.028 1.796 2
1 379 . 1 1 A 35 35 TYR HA H 96 6.097 5.581 0.516 2
1 384 . 1 1 A 35 35 TYR H H 96 9.102 8.372 0.730 2
1 385 . 1 1 A 35 35 TYR N N 96 117.188 118.735 -1.547 2
1 388 . 1 1 A 36 36 GLN CB C 97 33.643 32.130 1.513 2
1 390 . 1 1 A 36 36 GLN HA H 97 4.942 4.941 0.001 2
1 395 . 1 1 A 36 36 GLN H H 97 9.441 8.496 0.945 2
1 396 . 1 1 A 36 36 GLN N N 97 118.000 119.254 -1.254 2
1 399 . 1 1 A 37 37 VAL CA C 98 63.621 63.348 0.273 2
1 400 . 1 1 A 37 37 VAL CB C 98 31.380 30.810 0.570 2
1 403 . 1 1 A 37 37 VAL HA H 98 4.286 4.064 0.222 2
1 405 . 1 1 A 37 37 VAL H H 98 9.692 8.968 0.724 2
1 406 . 1 1 A 37 37 VAL N N 98 126.436 123.729 2.707 2
1 413 . 1 1 A 38 38 ILE CA C 99 61.011 62.551 -1.540 2
1 414 . 1 1 A 38 38 ILE CB C 99 38.943 38.261 0.682 2
1 418 . 1 1 A 38 38 ILE HA H 99 4.514 4.150 0.364 2
1 422 . 1 1 A 38 38 ILE H H 99 8.540 8.264 0.276 2
1 423 . 1 1 A 38 38 ILE N N 99 123.480 124.076 -0.596 2
1 430 . 1 1 A 39 39 ASP CA C 100 50.850 51.010 -0.160 2
1 431 . 1 1 A 39 39 ASP CB C 100 41.979 42.109 -0.130 2
1 432 . 1 1 A 39 39 ASP HA H 100 5.326 4.984 0.342 2
1 435 . 1 1 A 39 39 ASP H H 100 8.135 7.617 0.518 2
1 436 . 1 1 A 39 39 ASP N N 100 119.056 122.175 -3.119 2
1 437 . 1 1 A 40 40 PRO CA C 101 64.279 64.692 -0.413 2
1 438 . 1 1 A 40 40 PRO CB C 101 32.510 31.909 0.601 2
1 441 . 1 1 A 40 40 PRO HA H 101 4.299 4.303 -0.004 2
1 448 . 1 1 A 41 41 VAL CA C 102 65.120 65.293 -0.173 2
1 449 . 1 1 A 41 41 VAL CB C 102 31.406 31.545 -0.139 2
1 452 . 1 1 A 41 41 VAL HA H 102 3.886 3.828 0.058 2
1 454 . 1 1 A 41 41 VAL H H 102 7.936 7.776 0.160 2
1 455 . 1 1 A 41 41 VAL N N 102 118.168 116.456 1.712 2
1 462 . 1 1 A 42 42 LYS CA C 103 57.852 58.193 -0.341 2
1 463 . 1 1 A 42 42 LYS CB C 103 33.597 33.146 0.451 2
1 467 . 1 1 A 42 42 LYS HA H 103 4.242 4.328 -0.086 2
1 472 . 1 1 A 42 42 LYS H H 103 7.240 7.911 -0.671 2
1 473 . 1 1 A 42 42 LYS N N 103 118.280 120.178 -1.898 2
1 476 . 1 1 A 43 43 ALA CA C 104 53.615 51.603 2.012 2
1 477 . 1 1 A 43 43 ALA CB C 104 18.578 18.522 0.056 2
1 478 . 1 1 A 43 43 ALA HA H 104 4.632 4.290 0.342 2
1 479 . 1 1 A 43 43 ALA H H 104 7.702 7.597 0.105 2
1 480 . 1 1 A 43 43 ALA N N 104 122.122 120.647 1.475 2
1 484 . 1 1 A 44 44 VAL CA C 105 62.530 62.696 -0.166 2
1 485 . 1 1 A 44 44 VAL CB C 105 31.680 31.508 0.172 2
1 488 . 1 1 A 44 44 VAL HA H 105 4.197 4.110 0.087 2
1 490 . 1 1 A 44 44 VAL H H 105 7.682 7.711 -0.029 2
1 491 . 1 1 A 44 44 VAL N N 105 115.037 118.311 -3.274 2
1 498 . 1 1 A 45 45 TYR CA C 106 57.222 57.335 -0.113 2
1 499 . 1 1 A 45 45 TYR CB C 106 38.651 37.858 0.793 2
1 502 . 1 1 A 45 45 TYR HA H 106 4.652 4.666 -0.014 2
1 505 . 1 1 A 45 45 TYR H H 106 7.436 7.444 -0.008 2
1 506 . 1 1 A 45 45 TYR N N 106 118.804 120.650 -1.846 2
1 510 . 1 1 A 46 46 ASN CB C 107 39.028 36.817 2.211 2
1 511 . 1 1 A 46 46 ASN HA H 107 4.959 4.325 0.634 2
1 516 . 1 1 A 46 46 ASN H H 107 8.614 8.089 0.525 2
1 517 . 1 1 A 46 46 ASN N N 107 118.495 113.781 4.714 2
1 519 . 1 1 A 47 47 VAL CA C 108 65.178 63.153 2.025 2
1 520 . 1 1 A 47 47 VAL CB C 108 32.022 29.837 2.185 2
1 523 . 1 1 A 47 47 VAL HA H 108 3.952 3.620 0.332 2
1 525 . 1 1 A 47 47 VAL H H 108 8.342 7.881 0.461 2
1 526 . 1 1 A 47 47 VAL N N 108 123.377 114.973 8.404 2
1 533 . 1 1 A 48 48 SER CA C 109 61.473 61.232 0.241 2
1 534 . 1 1 A 48 48 SER CB C 109 62.248 63.696 -1.448 2
1 535 . 1 1 A 48 48 SER HA H 109 4.298 4.467 -0.169 2
1 536 . 1 1 A 48 48 SER H H 109 8.353 8.021 0.332 2
1 537 . 1 1 A 48 48 SER N N 109 116.439 116.556 -0.117 2
1 539 . 1 1 A 49 49 ASP CA C 110 56.211 57.174 -0.963 2
1 540 . 1 1 A 49 49 ASP CB C 110 40.691 40.150 0.541 2
1 541 . 1 1 A 49 49 ASP HA H 110 4.534 4.194 0.340 2
1 542 . 1 1 A 49 49 ASP H H 110 7.832 8.313 -0.481 2
1 543 . 1 1 A 49 49 ASP N N 110 121.141 121.999 -0.858 2
1 545 . 1 1 A 50 50 PHE CA C 111 60.009 61.205 -1.196 2
1 546 . 1 1 A 50 50 PHE CB C 111 38.598 39.426 -0.828 2
1 550 . 1 1 A 50 50 PHE HA H 111 3.486 4.099 -0.613 2
1 555 . 1 1 A 50 50 PHE H H 111 8.044 8.212 -0.168 2
1 557 . 1 1 A 50 50 PHE N N 111 122.621 121.980 0.641 2
1 560 . 1 1 A 51 51 LEU CA C 112 58.009 58.146 -0.137 2
1 561 . 1 1 A 51 51 LEU CB C 112 41.213 41.905 -0.692 2
1 565 . 1 1 A 51 51 LEU HA H 112 3.546 3.630 -0.083 2
1 569 . 1 1 A 51 51 LEU H H 112 8.046 8.390 -0.344 2
1 570 . 1 1 A 51 51 LEU N N 112 119.691 120.294 -0.603 2
1 577 . 1 1 A 52 52 MET CA C 113 57.696 58.148 -0.451 2
1 578 . 1 1 A 52 52 MET CB C 113 32.289 32.174 0.115 2
1 581 . 1 1 A 52 52 MET HA H 113 4.231 4.141 0.091 2
1 586 . 1 1 A 52 52 MET H H 113 7.563 8.227 -0.664 2
1 587 . 1 1 A 52 52 MET N N 113 115.770 116.899 -1.129 2
1 591 . 1 1 A 53 53 ALA CA C 114 54.815 54.912 -0.097 2
1 592 . 1 1 A 53 53 ALA CB C 114 18.369 18.672 -0.303 2
1 593 . 1 1 A 53 53 ALA HA H 114 4.199 4.096 0.103 2
1 594 . 1 1 A 53 53 ALA H H 114 7.878 8.077 -0.199 2
1 595 . 1 1 A 53 53 ALA N N 114 121.804 122.508 -0.704 2
1 599 . 1 1 A 54 54 ILE CA C 115 63.259 64.809 -1.550 2
1 600 . 1 1 A 54 54 ILE CB C 115 36.127 37.517 -1.390 2
1 604 . 1 1 A 54 54 ILE HA H 115 3.767 3.602 0.165 2
1 608 . 1 1 A 54 54 ILE H H 115 8.202 8.082 0.119 2
1 609 . 1 1 A 54 54 ILE N N 115 118.054 118.407 -0.353 2
1 616 . 1 1 A 55 55 VAL CA C 116 68.036 66.121 1.915 2
1 617 . 1 1 A 55 55 VAL CB C 116 31.463 31.481 -0.018 2
1 620 . 1 1 A 55 55 VAL HA H 116 3.509 3.683 -0.174 2
1 622 . 1 1 A 55 55 VAL H H 116 7.961 7.556 0.405 2
1 623 . 1 1 A 55 55 VAL N N 116 121.095 118.192 2.903 2
1 630 . 1 1 A 56 56 LYS CA C 117 59.077 58.674 0.403 2
1 631 . 1 1 A 56 56 LYS CB C 117 31.997 32.581 -0.584 2
1 635 . 1 1 A 56 56 LYS HA H 117 4.297 4.131 0.166 2
1 638 . 1 1 A 56 56 LYS H H 117 8.000 7.771 0.229 2
1 639 . 1 1 A 56 56 LYS N N 117 118.806 120.385 -1.579 2
1 643 . 1 1 A 57 57 LEU CA C 118 57.515 57.773 -0.258 2
1 644 . 1 1 A 57 57 LEU CB C 118 42.727 41.640 1.087 2
1 648 . 1 1 A 57 57 LEU HA H 118 4.286 4.009 0.277 2
1 652 . 1 1 A 57 57 LEU H H 118 8.390 8.205 0.185 2
1 653 . 1 1 A 57 57 LEU N N 118 120.738 119.844 0.894 2
1 660 . 1 1 A 58 58 ALA CA C 119 55.695 55.413 0.282 2
1 661 . 1 1 A 58 58 ALA CB C 119 17.984 18.339 -0.355 2
1 662 . 1 1 A 58 58 ALA HA H 119 4.131 4.010 0.121 2
1 663 . 1 1 A 58 58 ALA H H 119 9.213 8.502 0.711 2
1 664 . 1 1 A 58 58 ALA N N 119 123.641 120.988 2.653 2
1 668 . 1 1 A 59 59 GLN CA C 120 60.234 58.967 1.267 2
1 669 . 1 1 A 59 59 GLN CB C 120 28.353 28.349 0.004 2
1 671 . 1 1 A 59 59 GLN HA H 120 3.972 4.023 -0.051 2
1 678 . 1 1 A 59 59 GLN H H 120 8.649 7.908 0.741 2
1 679 . 1 1 A 59 59 GLN N N 120 116.453 117.676 -1.223 2
1 681 . 1 1 A 60 60 THR CA C 121 66.360 66.406 -0.046 2
1 682 . 1 1 A 60 60 THR CB C 121 68.868 68.943 -0.075 2
1 684 . 1 1 A 60 60 THR HA H 121 4.076 4.016 0.060 2
1 686 . 1 1 A 60 60 THR H H 121 8.566 7.773 0.793 2
1 687 . 1 1 A 60 60 THR N N 121 115.479 116.584 -1.105 2
1 691 . 1 1 A 61 61 ASN CA C 122 57.397 56.084 1.313 2
1 692 . 1 1 A 61 61 ASN CB C 122 39.535 38.325 1.210 2
1 693 . 1 1 A 61 61 ASN HA H 122 4.626 4.438 0.188 2
1 698 . 1 1 A 61 61 ASN H H 122 8.433 8.220 0.213 2
1 699 . 1 1 A 61 61 ASN N N 122 120.652 119.206 1.446 2
1 701 . 1 1 A 62 62 LEU CA C 123 58.804 58.321 0.483 2
1 702 . 1 1 A 62 62 LEU CB C 123 42.331 41.681 0.650 2
1 706 . 1 1 A 62 62 LEU HA H 123 4.068 3.992 0.076 2
1 710 . 1 1 A 62 62 LEU H H 123 8.837 8.406 0.431 2
1 711 . 1 1 A 62 62 LEU N N 123 121.425 117.551 3.874 2
1 718 . 1 1 A 63 63 ARG CA C 124 59.647 59.379 0.268 2
1 719 . 1 1 A 63 63 ARG CB C 124 30.112 30.024 0.088 2
1 722 . 1 1 A 63 63 ARG HA H 124 4.030 3.959 0.071 2
1 727 . 1 1 A 63 63 ARG H H 124 7.502 8.087 -0.585 2
1 728 . 1 1 A 63 63 ARG N N 124 116.156 119.540 -3.384 2
1 730 . 1 1 A 64 64 ALA CA C 125 54.793 55.030 -0.237 2
1 731 . 1 1 A 64 64 ALA CB C 125 18.471 18.820 -0.349 2
1 732 . 1 1 A 64 64 ALA HA H 125 4.260 4.053 0.206 2
1 733 . 1 1 A 64 64 ALA H H 125 7.637 8.020 -0.383 2
1 734 . 1 1 A 64 64 ALA N N 125 121.808 121.887 -0.079 2
1 738 . 1 1 A 65 65 ILE CA C 126 64.917 64.781 0.136 2
1 739 . 1 1 A 65 65 ILE CB C 126 39.599 37.826 1.773 2
1 743 . 1 1 A 65 65 ILE HA H 126 3.745 3.738 0.007 2
1 747 . 1 1 A 65 65 ILE H H 126 8.476 7.371 1.105 2
1 748 . 1 1 A 65 65 ILE N N 126 117.948 117.509 0.439 2
1 755 . 1 1 A 66 66 ILE CA C 127 64.704 64.825 -0.121 2
1 756 . 1 1 A 66 66 ILE CB C 127 37.188 37.671 -0.483 2
1 760 . 1 1 A 66 66 ILE HA H 127 3.826 3.741 0.085 2
1 764 . 1 1 A 66 66 ILE H H 127 8.130 8.407 -0.277 2
1 765 . 1 1 A 66 66 ILE N N 127 118.919 119.532 -0.613 2
1 772 . 1 1 A 67 67 GLY CA C 128 46.401 46.830 -0.429 2
1 773 . 1 1 A 67 67 GLY HA2 H 128 4.437 3.980 0.457 2
1 774 . 1 1 A 67 67 GLY HA3 H 128 3.925 3.980 -0.055 2
1 775 . 1 1 A 67 67 GLY H H 128 7.683 7.859 -0.176 2
1 776 . 1 1 A 67 67 GLY N N 128 104.485 109.176 -4.691 2
1 777 . 1 1 A 68 68 GLU CA C 129 55.446 55.160 0.286 2
1 778 . 1 1 A 68 68 GLU CB C 129 30.672 31.458 -0.786 2
1 780 . 1 1 A 68 68 GLU HA H 129 4.589 4.899 -0.310 2
1 785 . 1 1 A 68 68 GLU H H 129 7.111 8.177 -1.066 2
1 786 . 1 1 A 68 68 GLU N N 129 115.084 116.458 -1.374 2
1 787 . 1 1 A 69 69 MET CA C 130 55.238 54.679 0.559 2
1 788 . 1 1 A 69 69 MET CB C 130 36.559 36.501 0.058 2
1 791 . 1 1 A 69 69 MET HA H 130 4.763 4.849 -0.086 2
1 796 . 1 1 A 69 69 MET H H 130 8.414 8.606 -0.192 2
1 797 . 1 1 A 69 69 MET N N 130 121.732 121.401 0.331 2
1 801 . 1 1 A 70 70 GLU CA C 131 56.474 54.671 1.803 2
1 802 . 1 1 A 70 70 GLU CB C 131 30.686 32.278 -1.592 2
1 804 . 1 1 A 70 70 GLU HA H 131 4.354 4.888 -0.534 2
1 809 . 1 1 A 70 70 GLU H H 131 9.395 8.623 0.772 2
1 810 . 1 1 A 70 70 GLU N N 131 122.754 119.668 3.086 2
1 811 . 1 1 A 71 71 LEU CA C 132 59.955 58.291 1.665 2
1 812 . 1 1 A 71 71 LEU CB C 132 40.900 41.999 -1.099 2
1 816 . 1 1 A 71 71 LEU HA H 132 4.454 3.966 0.488 2
1 820 . 1 1 A 71 71 LEU H H 132 10.320 8.791 1.529 2
1 821 . 1 1 A 71 71 LEU N N 132 127.791 128.416 -0.625 2
1 828 . 1 1 A 72 72 ASP CA C 133 57.961 56.764 1.197 2
1 829 . 1 1 A 72 72 ASP CB C 133 40.031 41.110 -1.079 2
1 830 . 1 1 A 72 72 ASP HA H 133 4.452 4.471 -0.019 2
1 831 . 1 1 A 72 72 ASP H H 133 9.283 8.099 1.184 2
1 832 . 1 1 A 72 72 ASP N N 133 117.573 118.444 -0.871 2
1 834 . 1 1 A 73 73 GLU CA C 134 58.070 59.327 -1.256 2
1 835 . 1 1 A 73 73 GLU CB C 134 30.329 29.628 0.701 2
1 837 . 1 1 A 73 73 GLU HA H 134 4.166 4.050 0.116 2
1 842 . 1 1 A 73 73 GLU H H 134 7.307 8.118 -0.811 2
1 843 . 1 1 A 73 73 GLU N N 134 118.947 119.879 -0.932 2
1 844 . 1 1 A 74 74 THR CA C 135 67.017 65.722 1.294 2
1 845 . 1 1 A 74 74 THR CB C 135 68.224 68.273 -0.049 2
1 847 . 1 1 A 74 74 THR HA H 135 3.966 4.102 -0.136 2
1 849 . 1 1 A 74 74 THR H H 135 8.334 8.502 -0.168 2
1 850 . 1 1 A 74 74 THR N N 135 116.702 114.143 2.559 2
1 854 . 1 1 A 75 75 LEU CA C 136 57.604 57.836 -0.232 2
1 855 . 1 1 A 75 75 LEU CB C 136 41.375 41.798 -0.423 2
1 859 . 1 1 A 75 75 LEU HA H 136 4.164 4.018 0.146 2
1 863 . 1 1 A 75 75 LEU H H 136 8.159 7.934 0.225 2
1 864 . 1 1 A 75 75 LEU N N 136 118.009 121.996 -3.987 2
1 871 . 1 1 A 76 76 SER CA C 137 58.446 59.412 -0.966 2
1 872 . 1 1 A 76 76 SER CB C 137 63.709 63.149 0.560 2
1 873 . 1 1 A 76 76 SER HA H 137 4.808 4.486 0.322 2
1 876 . 1 1 A 76 76 SER H H 137 7.713 7.930 -0.217 2
1 877 . 1 1 A 76 76 SER N N 137 111.428 113.222 -1.794 2
1 878 . 1 1 A 77 77 GLY CA C 138 46.311 46.253 0.058 2
1 879 . 1 1 A 77 77 GLY HA2 H 138 4.815 4.046 0.769 2
1 880 . 1 1 A 77 77 GLY HA3 H 138 3.860 4.046 -0.186 2
1 881 . 1 1 A 77 77 GLY H H 138 7.779 8.209 -0.430 2
1 882 . 1 1 A 77 77 GLY N N 138 112.185 110.028 2.157 2
1 883 . 1 1 A 78 78 ARG CA C 139 61.186 58.277 2.909 2
1 884 . 1 1 A 78 78 ARG CB C 139 29.871 30.310 -0.439 2
1 887 . 1 1 A 78 78 ARG HA H 139 3.853 4.208 -0.355 2
1 892 . 1 1 A 78 78 ARG H H 139 8.311 8.219 0.092 2
1 893 . 1 1 A 78 78 ARG N N 139 121.172 121.444 -0.272 2
1 895 . 1 1 A 79 79 ASP CA C 140 57.533 56.804 0.729 2
1 896 . 1 1 A 79 79 ASP CB C 140 39.905 40.858 -0.953 2
1 897 . 1 1 A 79 79 ASP HA H 140 4.630 4.415 0.215 2
1 900 . 1 1 A 79 79 ASP H H 140 8.749 8.149 0.600 2
1 901 . 1 1 A 79 79 ASP N N 140 114.843 119.068 -4.225 2
1 902 . 1 1 A 80 80 ILE CA C 141 63.732 64.328 -0.596 2
1 903 . 1 1 A 80 80 ILE CB C 141 38.239 37.923 0.316 2
1 907 . 1 1 A 80 80 ILE HA H 141 4.070 3.816 0.254 2
1 911 . 1 1 A 80 80 ILE H H 141 7.565 7.611 -0.046 2
1 912 . 1 1 A 80 80 ILE N N 141 121.986 119.230 2.756 2
1 919 . 1 1 A 81 81 ILE CA C 142 66.387 65.419 0.968 2
1 920 . 1 1 A 81 81 ILE CB C 142 38.194 37.722 0.472 2
1 924 . 1 1 A 81 81 ILE HA H 142 3.531 3.578 -0.047 2
1 928 . 1 1 A 81 81 ILE H H 142 8.309 7.907 0.402 2
1 929 . 1 1 A 81 81 ILE N N 142 121.735 120.726 1.009 2
1 936 . 1 1 A 82 82 ASN CA C 143 56.121 55.889 0.232 2
1 937 . 1 1 A 82 82 ASN CB C 143 38.023 37.818 0.205 2
1 938 . 1 1 A 82 82 ASN HA H 143 4.369 4.424 -0.055 2
1 941 . 1 1 A 82 82 ASN H H 143 8.919 8.533 0.386 2
1 942 . 1 1 A 82 82 ASN N N 143 118.128 118.228 -0.100 2
1 946 . 1 1 A 83 83 ALA CA C 144 55.230 55.269 -0.039 2
1 947 . 1 1 A 83 83 ALA CB C 144 18.378 18.418 -0.040 2
1 948 . 1 1 A 83 83 ALA HA H 144 4.310 4.050 0.260 2
1 949 . 1 1 A 83 83 ALA H H 144 7.687 8.137 -0.450 2
1 950 . 1 1 A 83 83 ALA N N 144 122.048 121.939 0.109 2
1 954 . 1 1 A 84 84 ARG CA C 145 58.842 59.335 -0.493 2
1 955 . 1 1 A 84 84 ARG CB C 145 30.415 30.118 0.297 2
1 958 . 1 1 A 84 84 ARG HA H 145 4.297 3.969 0.329 2
1 963 . 1 1 A 84 84 ARG H H 145 8.579 7.890 0.689 2
1 964 . 1 1 A 84 84 ARG N N 145 119.430 118.043 1.387 2
1 966 . 1 1 A 85 85 LEU CA C 146 57.861 57.873 -0.012 2
1 967 . 1 1 A 85 85 LEU CB C 146 41.584 41.642 -0.058 2
1 971 . 1 1 A 85 85 LEU HA H 146 4.054 3.967 0.087 2
1 975 . 1 1 A 85 85 LEU H H 146 9.083 7.881 1.202 2
1 976 . 1 1 A 85 85 LEU N N 146 119.149 120.580 -1.431 2
1 983 . 1 1 A 86 86 ARG CA C 147 60.723 59.600 1.123 2
1 984 . 1 1 A 86 86 ARG CB C 147 29.549 29.861 -0.312 2
1 987 . 1 1 A 86 86 ARG HA H 147 3.774 3.964 -0.190 2
1 992 . 1 1 A 86 86 ARG H H 147 7.971 8.212 -0.241 2
1 993 . 1 1 A 86 86 ARG N N 147 118.395 119.366 -0.971 2
1 995 . 1 1 A 87 87 GLU CA C 148 59.392 58.981 0.411 2
1 996 . 1 1 A 87 87 GLU CB C 148 29.740 29.408 0.332 2
1 998 . 1 1 A 87 87 GLU HA H 148 4.120 4.097 0.023 2
1 1003 . 1 1 A 87 87 GLU H H 148 7.895 8.070 -0.175 2
1 1004 . 1 1 A 87 87 GLU N N 148 116.934 118.670 -1.736 2
1 1005 . 1 1 A 88 88 GLU CA C 149 58.455 58.819 -0.364 2
1 1006 . 1 1 A 88 88 GLU CB C 149 29.306 29.720 -0.414 2
1 1008 . 1 1 A 88 88 GLU HA H 149 4.279 4.106 0.172 2
1 1013 . 1 1 A 88 88 GLU H H 149 8.228 8.235 -0.007 2
1 1014 . 1 1 A 88 88 GLU N N 149 116.458 119.265 -2.807 2
1 1015 . 1 1 A 89 89 LEU CA C 150 57.767 56.716 1.051 2
1 1016 . 1 1 A 89 89 LEU CB C 150 42.450 41.828 0.622 2
1 1020 . 1 1 A 89 89 LEU HA H 150 4.239 4.141 0.098 2
1 1024 . 1 1 A 89 89 LEU H H 150 8.401 8.080 0.321 2
1 1025 . 1 1 A 89 89 LEU N N 150 117.854 119.327 -1.473 2
1 1032 . 1 1 A 90 90 ASP CA C 151 56.503 56.172 0.331 2
1 1033 . 1 1 A 90 90 ASP CB C 151 42.435 41.007 1.428 2
1 1034 . 1 1 A 90 90 ASP HA H 151 5.034 4.610 0.424 2
1 1037 . 1 1 A 90 90 ASP H H 151 8.524 8.035 0.489 2
1 1038 . 1 1 A 90 90 ASP N N 151 118.978 119.230 -0.252 2
1 1039 . 1 1 A 91 91 LYS CA C 152 58.455 58.076 0.379 2
1 1040 . 1 1 A 91 91 LYS CB C 152 33.021 33.013 0.008 2
1 1044 . 1 1 A 91 91 LYS HA H 152 4.279 4.188 0.091 2
1 1049 . 1 1 A 91 91 LYS H H 152 7.348 7.869 -0.521 2
1 1050 . 1 1 A 91 91 LYS N N 152 114.172 117.120 -2.948 2
1 1053 . 1 1 A 92 92 ILE CA C 153 61.448 62.184 -0.736 2
1 1054 . 1 1 A 92 92 ILE CB C 153 39.068 37.502 1.566 2
1 1058 . 1 1 A 92 92 ILE HA H 153 4.427 3.779 0.648 2
1 1062 . 1 1 A 92 92 ILE H H 153 7.597 7.681 -0.083 2
1 1063 . 1 1 A 92 92 ILE N N 153 114.441 119.949 -5.508 2
1 1070 . 1 1 A 93 93 THR CA C 154 65.433 63.603 1.830 2
1 1071 . 1 1 A 93 93 THR CB C 154 67.799 69.557 -1.758 2
1 1073 . 1 1 A 93 93 THR HA H 154 3.879 4.138 -0.259 2
1 1075 . 1 1 A 93 93 THR H H 154 8.195 7.400 0.795 2
1 1076 . 1 1 A 93 93 THR N N 154 110.253 112.556 -2.303 2
1 1080 . 1 1 A 94 94 ASP CA C 155 57.822 57.014 0.808 2
1 1081 . 1 1 A 94 94 ASP CB C 155 41.397 41.228 0.169 2
1 1082 . 1 1 A 94 94 ASP HA H 155 4.514 4.394 0.120 2
1 1085 . 1 1 A 94 94 ASP H H 155 8.474 8.035 0.439 2
1 1086 . 1 1 A 94 94 ASP N N 155 124.348 121.891 2.457 2
1 1087 . 1 1 A 95 95 ARG CA C 156 57.783 58.497 -0.714 2
1 1088 . 1 1 A 95 95 ARG CB C 156 29.386 30.066 -0.680 2
1 1091 . 1 1 A 95 95 ARG HA H 156 4.173 4.150 0.023 2
1 1096 . 1 1 A 95 95 ARG H H 156 7.680 8.259 -0.579 2
1 1097 . 1 1 A 95 95 ARG N N 156 117.839 117.029 0.810 2
1 1099 . 1 1 A 96 96 TRP CB C 157 29.856 29.851 0.005 2
1 1105 . 1 1 A 96 96 TRP HA H 157 4.943 4.793 0.150 2
1 1112 . 1 1 A 96 96 TRP H H 157 7.880 7.629 0.251 2
1 1115 . 1 1 A 96 96 TRP N N 157 117.944 119.159 -1.215 2
1 1117 . 1 1 A 97 97 GLY CA C 158 46.688 46.422 0.266 2
1 1118 . 1 1 A 97 97 GLY HA2 H 158 4.411 4.021 0.390 2
1 1119 . 1 1 A 97 97 GLY HA3 H 158 4.249 4.040 0.209 2
1 1120 . 1 1 A 97 97 GLY H H 158 7.972 8.055 -0.083 2
1 1121 . 1 1 A 97 97 GLY N N 158 104.253 109.376 -5.123 2
1 1122 . 1 1 A 98 98 VAL CA C 159 60.417 60.236 0.181 2
1 1123 . 1 1 A 98 98 VAL CB C 159 36.365 34.956 1.409 2
1 1126 . 1 1 A 98 98 VAL HA H 159 5.012 4.714 0.298 2
1 1128 . 1 1 A 98 98 VAL H H 159 7.468 7.856 -0.388 2
1 1129 . 1 1 A 98 98 VAL N N 159 115.979 120.641 -4.662 2
1 1136 . 1 1 A 99 99 LYS CA C 160 53.521 54.442 -0.921 2
1 1137 . 1 1 A 99 99 LYS CB C 160 36.083 36.151 -0.068 2
1 1141 . 1 1 A 99 99 LYS HA H 160 5.053 5.125 -0.072 2
1 1148 . 1 1 A 99 99 LYS H H 160 9.259 8.790 0.469 2
1 1149 . 1 1 A 99 99 LYS N N 160 126.977 126.802 0.175 2
1 1151 . 1 1 A 100 100 ILE CB C 161 35.185 37.113 -1.928 2
1 1155 . 1 1 A 100 100 ILE HA H 161 4.896 4.443 0.453 2
1 1159 . 1 1 A 100 100 ILE H H 161 9.310 8.964 0.346 2
1 1160 . 1 1 A 100 100 ILE N N 161 127.468 126.508 0.960 2
1 1167 . 1 1 A 101 101 THR CA C 162 63.075 65.353 -2.278 2
1 1168 . 1 1 A 101 101 THR CB C 162 67.345 68.823 -1.478 2
1 1170 . 1 1 A 101 101 THR HA H 162 4.254 4.125 0.129 2
1 1172 . 1 1 A 101 101 THR H H 162 8.783 8.480 0.302 2
1 1173 . 1 1 A 101 101 THR N N 162 120.609 120.691 -0.082 2
1 1177 . 1 1 A 102 102 ARG CA C 163 55.929 54.825 1.104 2
1 1178 . 1 1 A 102 102 ARG CB C 163 32.468 32.343 0.125 2
1 1181 . 1 1 A 102 102 ARG HA H 163 4.606 4.671 -0.065 2
1 1188 . 1 1 A 102 102 ARG H H 163 7.669 7.668 0.001 2
1 1189 . 1 1 A 102 102 ARG N N 163 118.258 118.012 0.246 2
1 1190 . 1 1 A 103 103 VAL CB C 164 35.090 35.583 -0.493 2
1 1193 . 1 1 A 103 103 VAL HA H 164 4.886 4.779 0.107 2
1 1195 . 1 1 A 103 103 VAL H H 164 8.700 8.394 0.306 2
1 1196 . 1 1 A 103 103 VAL N N 164 122.135 118.679 3.456 2
1 1203 . 1 1 A 104 104 GLU CA C 165 54.469 54.493 -0.024 2
1 1204 . 1 1 A 104 104 GLU CB C 165 33.028 33.281 -0.253 2
1 1206 . 1 1 A 104 104 GLU HA H 165 4.835 4.987 -0.152 2
1 1209 . 1 1 A 104 104 GLU H H 165 9.011 8.675 0.336 2
1 1210 . 1 1 A 104 104 GLU N N 165 123.789 125.207 -1.418 2
1 1212 . 1 1 A 105 105 ILE CA C 166 61.576 59.889 1.687 2
1 1213 . 1 1 A 105 105 ILE CB C 166 37.908 40.181 -2.273 2
1 1217 . 1 1 A 105 105 ILE HA H 166 4.525 4.744 -0.219 2
1 1219 . 1 1 A 105 105 ILE H H 166 9.869 8.847 1.022 2
1 1220 . 1 1 A 105 105 ILE N N 166 130.058 124.004 6.054 2
1 1229 . 1 1 A 106 106 GLN CA C 167 55.964 54.330 1.634 2
1 1230 . 1 1 A 106 106 GLN CB C 167 28.789 30.629 -1.840 2
1 1232 . 1 1 A 106 106 GLN HA H 167 4.661 4.633 0.028 2
1 1239 . 1 1 A 106 106 GLN H H 167 8.573 8.422 0.151 2
1 1240 . 1 1 A 106 106 GLN N N 167 127.576 125.400 2.176 2
1 1242 . 1 1 A 107 107 ARG CA C 168 56.113 56.922 -0.809 2
1 1243 . 1 1 A 107 107 ARG CB C 168 32.098 30.878 1.220 2
1 1246 . 1 1 A 107 107 ARG HA H 168 4.468 4.260 0.208 2
1 1251 . 1 1 A 107 107 ARG H H 168 8.762 8.319 0.443 2
1 1252 . 1 1 A 107 107 ARG N N 168 122.725 121.739 0.986 2
1 1254 . 1 1 A 108 108 ILE CA C 169 61.618 59.704 1.914 2
1 1255 . 1 1 A 108 108 ILE CB C 169 39.583 40.736 -1.153 2
1 1259 . 1 1 A 108 108 ILE HA H 169 4.451 4.816 -0.365 2
1 1263 . 1 1 A 108 108 ILE H H 169 7.996 8.395 -0.399 2
1 1264 . 1 1 A 108 108 ILE N N 169 120.383 123.641 -3.258 2
1 1271 . 1 1 A 109 109 ASP CA C 170 51.571 50.280 1.291 2
1 1272 . 1 1 A 109 109 ASP CB C 170 42.763 42.713 0.050 2
1 1273 . 1 1 A 109 109 ASP HA H 170 5.579 5.122 0.457 2
1 1276 . 1 1 A 109 109 ASP H H 170 9.067 8.503 0.564 2
1 1277 . 1 1 A 109 109 ASP N N 170 126.604 124.749 1.855 2
1 1278 . 1 1 A 110 110 PRO CA C 171 61.302 61.465 -0.163 2
1 1279 . 1 1 A 110 110 PRO CB C 171 30.857 31.545 -0.688 2
1 1282 . 1 1 A 110 110 PRO HA H 171 5.081 4.725 0.356 2
1 1288 . 1 1 A 111 111 PRO CA C 172 63.367 62.635 0.732 2
1 1289 . 1 1 A 111 111 PRO CB C 172 32.050 32.228 -0.178 2
1 1292 . 1 1 A 111 111 PRO HA H 172 4.568 4.613 -0.045 2
1 1298 . 1 1 A 112 112 LYS CA C 173 55.951 56.689 -0.738 2
1 1299 . 1 1 A 112 112 LYS CB C 173 33.412 33.352 0.060 2
1 1303 . 1 1 A 112 112 LYS HA H 173 4.465 4.379 0.086 2
1 1306 . 1 1 A 112 112 LYS H H 173 8.533 8.394 0.139 2
1 1307 . 1 1 A 112 112 LYS N N 173 122.499 120.567 1.933 2
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