data_10161_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10161
_Entry.PDB_ID 2EEB
_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 8 8 SER CA C 8 59.066 59.120 -0.054 1
1 2 . 1 1 1 A 8 8 SER HA H 8 4.444 4.441 0.003 1
1 3 . 1 1 1 A 8 8 SER CB C 8 63.749 64.168 -0.419 1
1 5 . 1 1 1 A 8 8 SER C C 8 174.832 173.363 1.469 1
1 7 . 1 1 1 A 9 9 ASP N N 9 122.244 120.238 2.006 1
1 8 . 1 1 1 A 9 9 ASP H H 9 8.460 8.651 -0.191 1
1 9 . 1 1 1 A 9 9 ASP CA C 9 54.943 52.675 2.268 1
1 10 . 1 1 1 A 9 9 ASP HA H 9 4.730 5.286 -0.556 1
1 11 . 1 1 1 A 9 9 ASP CB C 9 41.125 45.550 -4.425 1
1 13 . 1 1 1 A 9 9 ASP C C 9 176.845 173.534 3.311 1
1 15 . 1 1 1 A 10 10 ASP N N 10 120.929 119.318 1.611 1
1 16 . 1 1 1 A 10 10 ASP H H 10 8.121 8.668 -0.547 1
1 17 . 1 1 1 A 10 10 ASP CA C 10 55.841 53.355 2.486 1
1 18 . 1 1 1 A 10 10 ASP HA H 10 4.523 5.004 -0.481 1
1 19 . 1 1 1 A 10 10 ASP CB C 10 41.834 40.233 1.601 1
1 21 . 1 1 1 A 10 10 ASP C C 10 177.047 176.009 1.038 1
1 23 . 1 1 1 A 11 11 ALA N N 11 122.815 122.469 0.346 1
1 24 . 1 1 1 A 11 11 ALA H H 11 8.520 8.529 -0.009 1
1 25 . 1 1 1 A 11 11 ALA CA C 11 54.828 53.835 0.993 1
1 26 . 1 1 1 A 11 11 ALA HA H 11 4.004 3.996 0.008 1
1 27 . 1 1 1 A 11 11 ALA CB C 11 19.454 19.570 -0.116 1
1 31 . 1 1 1 A 11 11 ALA C C 11 179.280 179.107 0.173 1
1 32 . 1 1 1 A 12 12 ARG N N 12 115.782 118.597 -2.815 1
1 33 . 1 1 1 A 12 12 ARG H H 12 8.159 8.118 0.041 1
1 34 . 1 1 1 A 12 12 ARG CA C 12 57.578 58.273 -0.695 1
1 35 . 1 1 1 A 12 12 ARG HA H 12 4.310 4.118 0.192 1
1 36 . 1 1 1 A 12 12 ARG CB C 12 29.817 29.974 -0.157 1
1 42 . 1 1 1 A 12 12 ARG C C 12 176.412 177.517 -1.105 1
1 46 . 1 1 1 A 13 13 ARG N N 13 117.438 116.935 0.503 1
1 47 . 1 1 1 A 13 13 ARG H H 13 7.858 7.449 0.409 1
1 48 . 1 1 1 A 13 13 ARG CA C 13 56.855 55.403 1.452 1
1 49 . 1 1 1 A 13 13 ARG HA H 13 4.183 4.377 -0.194 1
1 50 . 1 1 1 A 13 13 ARG CB C 13 30.976 28.683 2.293 1
1 56 . 1 1 1 A 13 13 ARG C C 13 176.451 174.288 2.163 1
1 60 . 1 1 1 A 14 14 LEU N N 14 121.077 121.812 -0.735 1
1 61 . 1 1 1 A 14 14 LEU H H 14 6.925 7.241 -0.316 1
1 62 . 1 1 1 A 14 14 LEU CA C 14 56.582 53.571 3.011 1
1 63 . 1 1 1 A 14 14 LEU HA H 14 4.394 4.973 -0.579 1
1 64 . 1 1 1 A 14 14 LEU CB C 14 42.968 45.773 -2.805 1
1 76 . 1 1 1 A 14 14 LEU C C 14 177.296 174.797 2.499 1
1 78 . 1 1 1 A 15 15 THR N N 15 115.028 121.345 -6.317 1
1 79 . 1 1 1 A 15 15 THR H H 15 8.716 8.677 0.039 1
1 80 . 1 1 1 A 15 15 THR CA C 15 61.169 61.742 -0.573 1
1 81 . 1 1 1 A 15 15 THR HA H 15 4.667 4.974 -0.307 1
1 82 . 1 1 1 A 15 15 THR CB C 15 71.348 70.690 0.658 1
1 88 . 1 1 1 A 15 15 THR C C 15 173.454 173.453 0.001 1
1 89 . 1 1 1 A 16 16 VAL N N 16 126.736 127.839 -1.103 1
1 90 . 1 1 1 A 16 16 VAL H H 16 8.727 8.842 -0.115 1
1 91 . 1 1 1 A 16 16 VAL CA C 16 62.600 62.114 0.486 1
1 92 . 1 1 1 A 16 16 VAL HA H 16 4.539 4.360 0.179 1
1 93 . 1 1 1 A 16 16 VAL CB C 16 32.521 32.171 0.350 1
1 103 . 1 1 1 A 16 16 VAL C C 16 175.348 174.877 0.471 1
1 104 . 1 1 1 A 17 17 MET N N 17 126.444 123.093 3.351 1
1 105 . 1 1 1 A 17 17 MET H H 17 9.255 8.870 0.385 1
1 106 . 1 1 1 A 17 17 MET CA C 17 54.872 54.128 0.744 1
1 107 . 1 1 1 A 17 17 MET HA H 17 4.806 5.003 -0.197 1
1 108 . 1 1 1 A 17 17 MET CB C 17 35.443 37.112 -1.669 1
1 116 . 1 1 1 A 17 17 MET C C 17 174.681 175.453 -0.772 1
1 119 . 1 1 1 A 18 18 SER N N 18 112.443 112.618 -0.175 1
1 120 . 1 1 1 A 18 18 SER H H 18 8.568 8.497 0.071 1
1 121 . 1 1 1 A 18 18 SER CA C 18 58.711 58.584 0.127 1
1 122 . 1 1 1 A 18 18 SER HA H 18 4.018 3.980 0.038 1
1 123 . 1 1 1 A 18 18 SER CB C 18 62.009 61.822 0.187 1
1 125 . 1 1 1 A 18 18 SER C C 18 173.373 172.923 0.450 1
1 127 . 1 1 1 A 19 19 LEU N N 19 122.011 121.152 0.859 1
1 128 . 1 1 1 A 19 19 LEU H H 19 7.996 7.655 0.341 1
1 129 . 1 1 1 A 19 19 LEU CA C 19 54.978 53.584 1.394 1
1 130 . 1 1 1 A 19 19 LEU HA H 19 4.283 5.015 -0.732 1
1 131 . 1 1 1 A 19 19 LEU CB C 19 41.955 44.820 -2.865 1
1 143 . 1 1 1 A 19 19 LEU C C 19 176.135 175.385 0.750 1
1 145 . 1 1 1 A 20 20 GLN N N 20 127.739 126.774 0.965 1
1 146 . 1 1 1 A 20 20 GLN H H 20 8.669 8.834 -0.165 1
1 147 . 1 1 1 A 20 20 GLN CA C 20 55.617 56.075 -0.458 1
1 148 . 1 1 1 A 20 20 GLN HA H 20 4.400 4.474 -0.074 1
1 149 . 1 1 1 A 20 20 GLN CB C 20 29.298 29.294 0.004 1
1 156 . 1 1 1 A 20 20 GLN C C 20 175.033 175.845 -0.812 1
1 159 . 1 1 1 A 21 21 GLU N N 21 121.152 124.112 -2.960 1
1 160 . 1 1 1 A 21 21 GLU H H 21 8.546 8.737 -0.191 1
1 161 . 1 1 1 A 21 21 GLU CA C 21 57.598 56.736 0.862 1
1 162 . 1 1 1 A 21 21 GLU HA H 21 4.310 4.646 -0.336 1
1 163 . 1 1 1 A 21 21 GLU CB C 21 30.764 31.691 -0.927 1
1 167 . 1 1 1 A 21 21 GLU C C 21 176.581 177.091 -0.510 1
1 170 . 1 1 1 A 22 22 SER N N 22 113.328 110.734 2.594 1
1 171 . 1 1 1 A 22 22 SER H H 22 8.018 7.933 0.085 1
1 172 . 1 1 1 A 22 22 SER CA C 22 57.682 56.974 0.708 1
1 173 . 1 1 1 A 22 22 SER HA H 22 4.997 4.730 0.267 1
1 174 . 1 1 1 A 22 22 SER CB C 22 64.489 63.992 0.497 1
1 176 . 1 1 1 A 22 22 SER C C 22 174.062 175.165 -1.103 1
1 178 . 1 1 1 A 23 23 GLY N N 23 109.317 109.349 -0.032 1
1 179 . 1 1 1 A 23 23 GLY H H 23 8.828 7.710 1.118 1
1 180 . 1 1 1 A 23 23 GLY CA C 23 45.609 45.661 -0.052 1
1 181 . 1 1 1 A 23 23 GLY HA3 H 23 4.116 4.107 0.009 1
1 182 . 1 1 1 A 23 23 GLY C C 23 174.629 173.789 0.840 1
1 183 . 1 1 1 A 23 23 GLY HA2 H 23 3.832 4.105 -0.273 1
1 184 . 1 1 1 A 24 24 LEU N N 24 120.545 121.044 -0.499 1
1 185 . 1 1 1 A 24 24 LEU H H 24 7.559 7.512 0.047 1
1 186 . 1 1 1 A 24 24 LEU CA C 24 55.569 54.388 1.181 1
1 187 . 1 1 1 A 24 24 LEU HA H 24 4.310 4.398 -0.088 1
1 188 . 1 1 1 A 24 24 LEU CB C 24 42.978 42.275 0.703 1
1 200 . 1 1 1 A 24 24 LEU C C 24 176.704 176.394 0.310 1
1 202 . 1 1 1 A 25 25 LYS N N 25 122.188 121.094 1.094 1
1 203 . 1 1 1 A 25 25 LYS H H 25 8.828 8.629 0.199 1
1 204 . 1 1 1 A 25 25 LYS CA C 25 54.686 54.697 -0.011 1
1 205 . 1 1 1 A 25 25 LYS HA H 25 4.676 4.917 -0.241 1
1 206 . 1 1 1 A 25 25 LYS CB C 25 35.736 35.419 0.317 1
1 214 . 1 1 1 A 25 25 LYS C C 25 175.885 176.582 -0.697 1
1 219 . 1 1 1 A 26 26 VAL N N 26 121.689 124.778 -3.089 1
1 220 . 1 1 1 A 26 26 VAL H H 26 8.503 8.556 -0.053 1
1 221 . 1 1 1 A 26 26 VAL CA C 26 64.069 61.977 2.092 1
1 222 . 1 1 1 A 26 26 VAL HA H 26 3.218 4.139 -0.921 1
1 223 . 1 1 1 A 26 26 VAL CB C 26 31.636 32.627 -0.991 1
1 233 . 1 1 1 A 26 26 VAL C C 26 175.837 175.663 0.174 1
1 234 . 1 1 1 A 27 27 ASN N N 27 116.772 118.663 -1.891 1
1 235 . 1 1 1 A 27 27 ASN H H 27 8.682 9.069 -0.387 1
1 236 . 1 1 1 A 27 27 ASN CA C 27 55.183 54.352 0.831 1
1 237 . 1 1 1 A 27 27 ASN HA H 27 4.138 4.304 -0.166 1
1 238 . 1 1 1 A 27 27 ASN CB C 27 37.242 37.518 -0.276 1
1 243 . 1 1 1 A 27 27 ASN C C 27 173.308 173.986 -0.678 1
1 245 . 1 1 1 A 28 28 GLN N N 28 118.793 117.068 1.725 1
1 246 . 1 1 1 A 28 28 GLN H H 28 7.544 7.617 -0.073 1
1 247 . 1 1 1 A 28 28 GLN CA C 28 52.212 52.419 -0.207 1
1 248 . 1 1 1 A 28 28 GLN HA H 28 4.893 4.706 0.187 1
1 249 . 1 1 1 A 28 28 GLN CB C 28 30.060 30.747 -0.687 1
1 256 . 1 1 1 A 28 28 GLN C C 28 173.078 173.421 -0.343 1
1 259 . 1 1 1 A 29 29 PRO CA C 29 63.563 62.856 0.707 1
1 260 . 1 1 1 A 29 29 PRO HA H 29 4.294 4.565 -0.271 1
1 261 . 1 1 1 A 29 29 PRO CB C 29 31.874 31.636 0.238 1
1 267 . 1 1 1 A 29 29 PRO C C 29 175.250 175.770 -0.520 1
1 271 . 1 1 1 A 30 30 ALA N N 30 128.803 125.647 3.156 1
1 272 . 1 1 1 A 30 30 ALA H H 30 8.887 8.062 0.825 1
1 273 . 1 1 1 A 30 30 ALA CA C 30 50.558 50.778 -0.220 1
1 274 . 1 1 1 A 30 30 ALA HA H 30 4.539 4.867 -0.328 1
1 275 . 1 1 1 A 30 30 ALA CB C 30 21.602 21.284 0.318 1
1 279 . 1 1 1 A 30 30 ALA C C 30 175.510 175.812 -0.302 1
1 280 . 1 1 1 A 31 31 SER N N 31 112.512 116.275 -3.763 1
1 281 . 1 1 1 A 31 31 SER H H 31 8.214 8.921 -0.707 1
1 282 . 1 1 1 A 31 31 SER CA C 31 56.701 55.742 0.959 1
1 283 . 1 1 1 A 31 31 SER HA H 31 5.832 5.784 0.048 1
1 284 . 1 1 1 A 31 31 SER CB C 31 66.721 66.524 0.197 1
1 286 . 1 1 1 A 31 31 SER C C 31 173.379 173.915 -0.536 1
1 288 . 1 1 1 A 32 32 PHE N N 32 119.232 117.826 1.406 1
1 289 . 1 1 1 A 32 32 PHE H H 32 8.798 8.745 0.053 1
1 290 . 1 1 1 A 32 32 PHE CA C 32 56.218 55.724 0.494 1
1 291 . 1 1 1 A 32 32 PHE HA H 32 4.925 5.483 -0.558 1
1 292 . 1 1 1 A 32 32 PHE CB C 32 39.752 42.314 -2.562 1
1 304 . 1 1 1 A 32 32 PHE C C 32 172.709 172.414 0.295 1
1 306 . 1 1 1 A 33 33 ALA N N 33 122.788 122.121 0.667 1
1 307 . 1 1 1 A 33 33 ALA H H 33 8.827 8.470 0.357 1
1 308 . 1 1 1 A 33 33 ALA CA C 33 50.616 50.096 0.520 1
1 309 . 1 1 1 A 33 33 ALA HA H 33 5.654 5.733 -0.079 1
1 310 . 1 1 1 A 33 33 ALA CB C 33 22.616 22.621 -0.005 1
1 314 . 1 1 1 A 33 33 ALA C C 33 175.770 176.202 -0.432 1
1 315 . 1 1 1 A 34 34 ILE N N 34 118.542 120.797 -2.255 1
1 316 . 1 1 1 A 34 34 ILE H H 34 9.194 8.778 0.416 1
1 317 . 1 1 1 A 34 34 ILE CA C 34 59.486 60.477 -0.991 1
1 318 . 1 1 1 A 34 34 ILE HA H 34 4.978 4.728 0.250 1
1 319 . 1 1 1 A 34 34 ILE CB C 34 42.577 40.687 1.890 1
1 331 . 1 1 1 A 34 34 ILE C C 34 174.924 174.728 0.196 1
1 333 . 1 1 1 A 35 35 ARG N N 35 126.774 129.188 -2.414 1
1 334 . 1 1 1 A 35 35 ARG H H 35 9.038 8.986 0.052 1
1 335 . 1 1 1 A 35 35 ARG CA C 35 54.096 56.577 -2.481 1
1 336 . 1 1 1 A 35 35 ARG HA H 35 5.283 4.653 0.630 1
1 337 . 1 1 1 A 35 35 ARG CB C 35 32.039 31.076 0.963 1
1 343 . 1 1 1 A 35 35 ARG C C 35 175.959 174.987 0.972 1
1 347 . 1 1 1 A 36 36 LEU N N 36 123.887 126.808 -2.921 1
1 348 . 1 1 1 A 36 36 LEU H H 36 8.648 8.827 -0.179 1
1 349 . 1 1 1 A 36 36 LEU CA C 36 56.318 53.495 2.823 1
1 350 . 1 1 1 A 36 36 LEU HA H 36 4.037 4.862 -0.825 1
1 351 . 1 1 1 A 36 36 LEU CB C 36 41.028 43.610 -2.582 1
1 363 . 1 1 1 A 36 36 LEU C C 36 177.292 176.412 0.880 1
1 365 . 1 1 1 A 37 37 ASN N N 37 115.087 122.669 -7.582 1
1 366 . 1 1 1 A 37 37 ASN H H 37 8.594 8.494 0.100 1
1 367 . 1 1 1 A 37 37 ASN CA C 37 54.182 53.007 1.175 1
1 368 . 1 1 1 A 37 37 ASN HA H 37 4.407 4.850 -0.443 1
1 369 . 1 1 1 A 37 37 ASN CB C 37 37.687 38.664 -0.977 1
1 374 . 1 1 1 A 37 37 ASN C C 37 176.277 175.642 0.635 1
1 376 . 1 1 1 A 38 38 GLY N N 38 106.329 107.665 -1.336 1
1 377 . 1 1 1 A 38 38 GLY H H 38 9.506 7.978 1.528 1
1 378 . 1 1 1 A 38 38 GLY CA C 38 45.290 45.586 -0.296 1
1 379 . 1 1 1 A 38 38 GLY HA3 H 38 4.156 4.023 0.133 1
1 380 . 1 1 1 A 38 38 GLY C C 38 174.483 174.146 0.337 1
1 381 . 1 1 1 A 38 38 GLY HA2 H 38 3.617 4.008 -0.391 1
1 382 . 1 1 1 A 39 39 ALA N N 39 124.015 123.138 0.877 1
1 383 . 1 1 1 A 39 39 ALA H H 39 7.483 7.825 -0.342 1
1 384 . 1 1 1 A 39 39 ALA CA C 39 52.396 50.850 1.546 1
1 385 . 1 1 1 A 39 39 ALA HA H 39 4.280 4.614 -0.334 1
1 386 . 1 1 1 A 39 39 ALA CB C 39 20.424 20.172 0.252 1
1 390 . 1 1 1 A 39 39 ALA C C 39 176.275 176.577 -0.302 1
1 391 . 1 1 1 A 40 40 LYS N N 40 119.513 122.159 -2.646 1
1 392 . 1 1 1 A 40 40 LYS H H 40 8.685 8.715 -0.030 1
1 393 . 1 1 1 A 40 40 LYS CA C 40 54.696 55.038 -0.342 1
1 394 . 1 1 1 A 40 40 LYS HA H 40 4.811 5.141 -0.330 1
1 395 . 1 1 1 A 40 40 LYS CB C 40 34.324 35.543 -1.219 1
1 403 . 1 1 1 A 40 40 LYS C C 40 176.004 175.919 0.085 1
1 408 . 1 1 1 A 41 41 GLY N N 41 111.941 108.317 3.624 1
1 409 . 1 1 1 A 41 41 GLY H H 41 8.398 8.308 0.090 1
1 410 . 1 1 1 A 41 41 GLY CA C 41 45.887 45.178 0.709 1
1 411 . 1 1 1 A 41 41 GLY HA3 H 41 3.722 4.141 -0.419 1
1 412 . 1 1 1 A 41 41 GLY C C 41 171.021 171.454 -0.433 1
1 413 . 1 1 1 A 41 41 GLY HA2 H 41 3.722 4.054 -0.332 1
1 414 . 1 1 1 A 42 42 LYS N N 42 119.600 123.651 -4.051 1
1 415 . 1 1 1 A 42 42 LYS H H 42 7.293 7.867 -0.574 1
1 416 . 1 1 1 A 42 42 LYS CA C 42 54.522 54.710 -0.188 1
1 417 . 1 1 1 A 42 42 LYS HA H 42 4.467 4.799 -0.332 1
1 418 . 1 1 1 A 42 42 LYS CB C 42 34.979 36.075 -1.096 1
1 426 . 1 1 1 A 42 42 LYS C C 42 175.675 173.918 1.757 1
1 431 . 1 1 1 A 43 43 ILE N N 43 127.421 125.942 1.479 1
1 432 . 1 1 1 A 43 43 ILE H H 43 8.706 8.564 0.142 1
1 433 . 1 1 1 A 43 43 ILE CA C 43 60.336 59.761 0.575 1
1 434 . 1 1 1 A 43 43 ILE HA H 43 4.695 4.863 -0.168 1
1 435 . 1 1 1 A 43 43 ILE CB C 43 39.322 40.699 -1.377 1
1 447 . 1 1 1 A 43 43 ILE C C 43 174.542 174.750 -0.208 1
1 449 . 1 1 1 A 44 44 ASP N N 44 127.995 126.343 1.652 1
1 450 . 1 1 1 A 44 44 ASP H H 44 8.861 8.958 -0.097 1
1 451 . 1 1 1 A 44 44 ASP CA C 44 53.245 52.698 0.547 1
1 452 . 1 1 1 A 44 44 ASP HA H 44 4.817 5.458 -0.641 1
1 453 . 1 1 1 A 44 44 ASP CB C 44 44.577 44.489 0.088 1
1 455 . 1 1 1 A 44 44 ASP C C 44 173.768 174.968 -1.200 1
1 457 . 1 1 1 A 45 45 ALA N N 45 127.601 124.642 2.959 1
1 458 . 1 1 1 A 45 45 ALA H H 45 8.819 8.877 -0.058 1
1 459 . 1 1 1 A 45 45 ALA CA C 45 50.180 51.475 -1.295 1
1 460 . 1 1 1 A 45 45 ALA HA H 45 5.859 5.131 0.728 1
1 461 . 1 1 1 A 45 45 ALA CB C 45 21.379 21.135 0.244 1
1 465 . 1 1 1 A 45 45 ALA C C 45 175.393 175.917 -0.524 1
1 466 . 1 1 1 A 46 46 LYS N N 46 122.427 123.241 -0.814 1
1 467 . 1 1 1 A 46 46 LYS H H 46 8.723 8.605 0.118 1
1 468 . 1 1 1 A 46 46 LYS CA C 46 55.090 54.443 0.647 1
1 469 . 1 1 1 A 46 46 LYS HA H 46 5.057 5.017 0.040 1
1 470 . 1 1 1 A 46 46 LYS CB C 46 37.534 36.318 1.216 1
1 478 . 1 1 1 A 46 46 LYS C C 46 173.473 174.426 -0.953 1
1 483 . 1 1 1 A 47 47 VAL N N 47 120.177 121.848 -1.671 1
1 484 . 1 1 1 A 47 47 VAL H H 47 8.989 8.816 0.173 1
1 485 . 1 1 1 A 47 47 VAL CA C 47 59.152 60.012 -0.860 1
1 486 . 1 1 1 A 47 47 VAL HA H 47 4.875 4.797 0.078 1
1 487 . 1 1 1 A 47 47 VAL CB C 47 34.502 34.122 0.380 1
1 497 . 1 1 1 A 47 47 VAL C C 47 173.786 174.051 -0.265 1
1 498 . 1 1 1 A 48 48 HIS N N 48 127.949 128.283 -0.334 1
1 499 . 1 1 1 A 48 48 HIS H H 48 9.661 8.996 0.665 1
1 500 . 1 1 1 A 48 48 HIS CA C 48 53.917 55.677 -1.760 1
1 501 . 1 1 1 A 48 48 HIS HA H 48 5.238 5.220 0.018 1
1 502 . 1 1 1 A 48 48 HIS CB C 48 30.549 32.382 -1.833 1
1 508 . 1 1 1 A 48 48 HIS C C 48 175.556 174.513 1.043 1
1 510 . 1 1 1 A 49 49 SER N N 49 121.639 115.324 6.315 1
1 511 . 1 1 1 A 49 49 SER H H 49 9.114 8.885 0.229 1
1 512 . 1 1 1 A 49 49 SER CA C 49 56.693 55.286 1.407 1
1 513 . 1 1 1 A 49 49 SER HA H 49 4.391 4.930 -0.539 1
1 514 . 1 1 1 A 49 49 SER CB C 49 63.160 64.963 -1.803 1
1 516 . 1 1 1 A 49 49 SER C C 49 174.390 174.109 0.281 1
1 518 . 1 1 1 A 50 50 PRO CA C 50 65.732 64.338 1.394 1
1 519 . 1 1 1 A 50 50 PRO HA H 50 4.247 4.496 -0.249 1
1 520 . 1 1 1 A 50 50 PRO CB C 50 31.516 31.816 -0.300 1
1 526 . 1 1 1 A 50 50 PRO C C 50 177.969 177.617 0.352 1
1 530 . 1 1 1 A 51 51 SER N N 51 110.808 112.174 -1.366 1
1 531 . 1 1 1 A 51 51 SER H H 51 8.539 7.875 0.664 1
1 532 . 1 1 1 A 51 51 SER CA C 51 59.311 58.924 0.387 1
1 533 . 1 1 1 A 51 51 SER HA H 51 4.331 4.514 -0.183 1
1 534 . 1 1 1 A 51 51 SER CB C 51 62.767 63.550 -0.783 1
1 536 . 1 1 1 A 51 51 SER C C 51 175.339 174.600 0.739 1
1 538 . 1 1 1 A 52 52 GLY N N 52 110.692 109.172 1.520 1
1 539 . 1 1 1 A 52 52 GLY H H 52 8.181 8.227 -0.046 1
1 540 . 1 1 1 A 52 52 GLY CA C 52 44.862 45.561 -0.699 1
1 541 . 1 1 1 A 52 52 GLY HA3 H 52 4.444 3.991 0.453 1
1 542 . 1 1 1 A 52 52 GLY C C 52 174.389 174.126 0.263 1
1 543 . 1 1 1 A 52 52 GLY HA2 H 52 3.634 3.977 -0.343 1
1 544 . 1 1 1 A 53 53 ALA N N 53 124.417 122.097 2.320 1
1 545 . 1 1 1 A 53 53 ALA H H 53 7.419 7.530 -0.111 1
1 546 . 1 1 1 A 53 53 ALA CA C 53 52.538 50.369 2.169 1
1 547 . 1 1 1 A 53 53 ALA HA H 53 4.373 4.817 -0.444 1
1 548 . 1 1 1 A 53 53 ALA CB C 53 19.207 22.775 -3.568 1
1 552 . 1 1 1 A 53 53 ALA C C 53 176.519 175.870 0.649 1
1 553 . 1 1 1 A 54 54 VAL N N 54 121.228 120.715 0.513 1
1 554 . 1 1 1 A 54 54 VAL H H 54 8.429 8.974 -0.545 1
1 555 . 1 1 1 A 54 54 VAL CA C 54 60.672 61.434 -0.762 1
1 556 . 1 1 1 A 54 54 VAL HA H 54 4.980 4.460 0.520 1
1 557 . 1 1 1 A 54 54 VAL CB C 54 33.933 33.990 -0.057 1
1 567 . 1 1 1 A 54 54 VAL C C 54 175.443 174.834 0.609 1
1 568 . 1 1 1 A 55 55 GLU N N 55 126.290 127.300 -1.010 1
1 569 . 1 1 1 A 55 55 GLU H H 55 8.640 8.727 -0.087 1
1 570 . 1 1 1 A 55 55 GLU CA C 55 54.306 54.494 -0.188 1
1 571 . 1 1 1 A 55 55 GLU HA H 55 4.754 4.937 -0.183 1
1 572 . 1 1 1 A 55 55 GLU CB C 55 33.612 31.350 2.262 1
1 576 . 1 1 1 A 55 55 GLU C C 55 175.073 175.015 0.058 1
1 579 . 1 1 1 A 56 56 GLU N N 56 123.200 122.712 0.488 1
1 580 . 1 1 1 A 56 56 GLU H H 56 8.878 8.718 0.160 1
1 581 . 1 1 1 A 56 56 GLU CA C 56 56.966 55.081 1.885 1
1 582 . 1 1 1 A 56 56 GLU HA H 56 4.479 5.041 -0.562 1
1 583 . 1 1 1 A 56 56 GLU CB C 56 30.258 32.894 -2.636 1
1 587 . 1 1 1 A 56 56 GLU C C 56 177.592 175.310 2.282 1
1 590 . 1 1 1 A 57 57 CYS N N 57 121.919 125.731 -3.812 1
1 591 . 1 1 1 A 57 57 CYS H H 57 8.496 8.370 0.126 1
1 592 . 1 1 1 A 57 57 CYS CA C 57 59.030 58.505 0.525 1
1 593 . 1 1 1 A 57 57 CYS HA H 57 4.690 5.011 -0.321 1
1 594 . 1 1 1 A 57 57 CYS CB C 57 29.620 28.370 1.250 1
1 596 . 1 1 1 A 57 57 CYS C C 57 173.871 174.361 -0.490 1
1 598 . 1 1 1 A 58 58 HIS N N 58 123.415 123.930 -0.515 1
1 599 . 1 1 1 A 58 58 HIS H H 58 8.961 8.622 0.339 1
1 600 . 1 1 1 A 58 58 HIS CA C 58 56.751 56.905 -0.154 1
1 601 . 1 1 1 A 58 58 HIS HA H 58 4.725 4.682 0.043 1
1 602 . 1 1 1 A 58 58 HIS CB C 58 31.813 29.924 1.889 1
1 608 . 1 1 1 A 58 58 HIS C C 58 174.903 174.021 0.882 1
1 610 . 1 1 1 A 59 59 VAL N N 59 128.900 128.768 0.132 1
1 611 . 1 1 1 A 59 59 VAL H H 59 8.521 8.657 -0.136 1
1 612 . 1 1 1 A 59 59 VAL CA C 59 61.131 60.818 0.313 1
1 613 . 1 1 1 A 59 59 VAL HA H 59 5.142 4.614 0.528 1
1 614 . 1 1 1 A 59 59 VAL CB C 59 33.825 33.395 0.430 1
1 624 . 1 1 1 A 59 59 VAL C C 59 175.539 174.577 0.962 1
1 625 . 1 1 1 A 60 60 SER N N 60 120.428 121.654 -1.226 1
1 626 . 1 1 1 A 60 60 SER H H 60 8.995 8.778 0.217 1
1 627 . 1 1 1 A 60 60 SER CA C 60 56.782 56.029 0.753 1
1 628 . 1 1 1 A 60 60 SER HA H 60 4.823 5.438 -0.615 1
1 629 . 1 1 1 A 60 60 SER CB C 60 65.880 65.619 0.261 1
1 631 . 1 1 1 A 60 60 SER C C 60 172.353 172.332 0.021 1
1 633 . 1 1 1 A 61 61 GLU N N 61 125.163 124.798 0.365 1
1 634 . 1 1 1 A 61 61 GLU H H 61 8.894 8.716 0.178 1
1 635 . 1 1 1 A 61 61 GLU CA C 61 57.081 55.427 1.654 1
1 636 . 1 1 1 A 61 61 GLU HA H 61 3.545 4.028 -0.483 1
1 637 . 1 1 1 A 61 61 GLU CB C 61 30.675 29.528 1.147 1
1 641 . 1 1 1 A 61 61 GLU C C 61 176.353 175.060 1.293 1
1 644 . 1 1 1 A 62 62 LEU N N 62 129.563 128.724 0.839 1
1 645 . 1 1 1 A 62 62 LEU H H 62 8.800 8.784 0.016 1
1 646 . 1 1 1 A 62 62 LEU CA C 62 56.462 55.790 0.672 1
1 647 . 1 1 1 A 62 62 LEU HA H 62 4.341 4.307 0.034 1
1 648 . 1 1 1 A 62 62 LEU CB C 62 44.020 42.776 1.244 1
1 660 . 1 1 1 A 62 62 LEU C C 62 176.662 176.615 0.047 1
1 662 . 1 1 1 A 63 63 GLU N N 63 117.143 118.030 -0.887 1
1 663 . 1 1 1 A 63 63 GLU H H 63 8.292 7.382 0.910 1
1 664 . 1 1 1 A 63 63 GLU CA C 63 53.777 52.968 0.809 1
1 665 . 1 1 1 A 63 63 GLU HA H 63 4.655 4.666 -0.011 1
1 666 . 1 1 1 A 63 63 GLU CB C 63 29.768 31.158 -1.390 1
1 670 . 1 1 1 A 63 63 GLU C C 63 172.058 176.185 -4.127 1
1 673 . 1 1 1 A 64 64 PRO CA C 64 65.767 64.330 1.437 1
1 674 . 1 1 1 A 64 64 PRO HA H 64 4.227 4.540 -0.313 1
1 675 . 1 1 1 A 64 64 PRO CB C 64 31.005 31.837 -0.832 1
1 681 . 1 1 1 A 64 64 PRO C C 64 177.068 176.377 0.691 1
1 685 . 1 1 1 A 65 65 ASP N N 65 118.425 116.733 1.692 1
1 686 . 1 1 1 A 65 65 ASP H H 65 8.965 8.324 0.641 1
1 687 . 1 1 1 A 65 65 ASP CA C 65 55.827 54.267 1.560 1
1 688 . 1 1 1 A 65 65 ASP HA H 65 4.589 4.975 -0.386 1
1 689 . 1 1 1 A 65 65 ASP CB C 65 43.713 42.977 0.736 1
1 691 . 1 1 1 A 65 65 ASP C C 65 174.921 175.254 -0.333 1
1 693 . 1 1 1 A 66 66 LYS N N 66 120.940 120.145 0.795 1
1 694 . 1 1 1 A 66 66 LYS H H 66 8.476 7.518 0.958 1
1 695 . 1 1 1 A 66 66 LYS CA C 66 55.938 55.666 0.272 1
1 696 . 1 1 1 A 66 66 LYS HA H 66 5.476 5.168 0.308 1
1 697 . 1 1 1 A 66 66 LYS CB C 66 36.812 36.195 0.617 1
1 705 . 1 1 1 A 66 66 LYS C C 66 173.912 174.181 -0.269 1
1 710 . 1 1 1 A 67 67 TYR N N 67 126.047 123.385 2.662 1
1 711 . 1 1 1 A 67 67 TYR H H 67 9.291 8.995 0.296 1
1 712 . 1 1 1 A 67 67 TYR CA C 67 56.589 56.515 0.074 1
1 713 . 1 1 1 A 67 67 TYR HA H 67 5.136 5.228 -0.092 1
1 714 . 1 1 1 A 67 67 TYR CB C 67 41.933 43.591 -1.658 1
1 724 . 1 1 1 A 67 67 TYR C C 67 174.424 173.988 0.436 1
1 726 . 1 1 1 A 68 68 ALA N N 68 123.234 123.159 0.075 1
1 727 . 1 1 1 A 68 68 ALA H H 68 9.393 8.537 0.856 1
1 728 . 1 1 1 A 68 68 ALA CA C 68 50.620 50.107 0.513 1
1 729 . 1 1 1 A 68 68 ALA HA H 68 5.002 5.344 -0.342 1
1 730 . 1 1 1 A 68 68 ALA CB C 68 21.211 22.198 -0.987 1
1 734 . 1 1 1 A 68 68 ALA C C 68 176.258 175.903 0.355 1
1 735 . 1 1 1 A 69 69 VAL N N 69 121.910 121.880 0.030 1
1 736 . 1 1 1 A 69 69 VAL H H 69 8.412 8.718 -0.306 1
1 737 . 1 1 1 A 69 69 VAL CA C 69 61.147 61.268 -0.121 1
1 738 . 1 1 1 A 69 69 VAL HA H 69 4.587 4.762 -0.175 1
1 739 . 1 1 1 A 69 69 VAL CB C 69 32.409 34.003 -1.594 1
1 749 . 1 1 1 A 69 69 VAL C C 69 174.300 173.691 0.609 1
1 750 . 1 1 1 A 70 70 ARG N N 70 125.218 129.906 -4.688 1
1 751 . 1 1 1 A 70 70 ARG H H 70 8.926 9.065 -0.139 1
1 752 . 1 1 1 A 70 70 ARG CA C 70 54.404 54.901 -0.497 1
1 753 . 1 1 1 A 70 70 ARG HA H 70 5.665 5.023 0.642 1
1 754 . 1 1 1 A 70 70 ARG CB C 70 34.966 31.864 3.102 1
1 760 . 1 1 1 A 70 70 ARG C C 70 175.124 175.160 -0.036 1
1 764 . 1 1 1 A 71 71 PHE N N 71 120.657 120.171 0.486 1
1 765 . 1 1 1 A 71 71 PHE H H 71 8.780 8.925 -0.145 1
1 766 . 1 1 1 A 71 71 PHE CA C 71 55.969 56.338 -0.369 1
1 767 . 1 1 1 A 71 71 PHE HA H 71 5.082 5.029 0.053 1
1 768 . 1 1 1 A 71 71 PHE CB C 71 41.335 41.414 -0.079 1
1 780 . 1 1 1 A 71 71 PHE C C 71 171.920 172.007 -0.087 1
1 782 . 1 1 1 A 72 72 ILE N N 72 120.347 122.065 -1.718 1
1 783 . 1 1 1 A 72 72 ILE H H 72 8.714 8.809 -0.095 1
1 784 . 1 1 1 A 72 72 ILE CA C 72 57.669 57.811 -0.142 1
1 785 . 1 1 1 A 72 72 ILE HA H 72 4.469 4.385 0.084 1
1 786 . 1 1 1 A 72 72 ILE CB C 72 39.824 38.254 1.570 1
1 798 . 1 1 1 A 72 72 ILE C C 72 173.612 174.753 -1.141 1
1 800 . 1 1 1 A 73 73 PRO CA C 73 62.050 62.264 -0.214 1
1 801 . 1 1 1 A 73 73 PRO HA H 73 4.493 4.907 -0.414 1
1 802 . 1 1 1 A 73 73 PRO CB C 73 33.680 29.431 4.249 1
1 808 . 1 1 1 A 73 73 PRO C C 73 176.990 175.714 1.276 1
1 812 . 1 1 1 A 74 74 HIS N N 74 119.655 117.669 1.986 1
1 813 . 1 1 1 A 74 74 HIS H H 74 10.240 8.574 1.666 1
1 814 . 1 1 1 A 74 74 HIS CA C 74 54.660 53.796 0.864 1
1 815 . 1 1 1 A 74 74 HIS HA H 74 5.035 5.689 -0.654 1
1 816 . 1 1 1 A 74 74 HIS CB C 74 30.530 31.660 -1.130 1
1 822 . 1 1 1 A 74 74 HIS C C 74 173.624 174.082 -0.458 1
1 824 . 1 1 1 A 75 75 GLU N N 75 118.178 123.156 -4.978 1
1 825 . 1 1 1 A 75 75 GLU H H 75 7.772 8.820 -1.048 1
1 826 . 1 1 1 A 75 75 GLU CA C 75 54.166 54.290 -0.124 1
1 827 . 1 1 1 A 75 75 GLU HA H 75 4.654 4.842 -0.188 1
1 828 . 1 1 1 A 75 75 GLU CB C 75 33.422 33.688 -0.266 1
1 832 . 1 1 1 A 75 75 GLU C C 75 173.599 175.419 -1.820 1
1 835 . 1 1 1 A 76 76 ASN N N 76 116.760 116.985 -0.225 1
1 836 . 1 1 1 A 76 76 ASN H H 76 8.530 8.406 0.124 1
1 837 . 1 1 1 A 76 76 ASN CA C 76 53.486 51.695 1.791 1
1 838 . 1 1 1 A 76 76 ASN HA H 76 4.606 5.162 -0.556 1
1 839 . 1 1 1 A 76 76 ASN CB C 76 40.184 39.040 1.144 1
1 844 . 1 1 1 A 76 76 ASN C C 76 175.598 175.070 0.528 1
1 846 . 1 1 1 A 77 77 GLY N N 77 106.497 107.696 -1.199 1
1 847 . 1 1 1 A 77 77 GLY H H 77 9.152 7.508 1.644 1
1 848 . 1 1 1 A 77 77 GLY CA C 77 43.752 46.206 -2.454 1
1 849 . 1 1 1 A 77 77 GLY HA3 H 77 4.797 4.139 0.658 1
1 850 . 1 1 1 A 77 77 GLY C C 77 176.329 171.770 4.559 1
1 851 . 1 1 1 A 77 77 GLY HA2 H 77 3.897 4.116 -0.219 1
1 852 . 1 1 1 A 78 78 VAL N N 78 124.582 122.322 2.260 1
1 853 . 1 1 1 A 78 78 VAL H H 78 9.334 8.318 1.016 1
1 854 . 1 1 1 A 78 78 VAL CA C 78 64.642 60.858 3.784 1
1 855 . 1 1 1 A 78 78 VAL HA H 78 4.399 5.024 -0.625 1
1 856 . 1 1 1 A 78 78 VAL CB C 78 31.464 34.205 -2.741 1
1 866 . 1 1 1 A 78 78 VAL C C 78 176.269 175.276 0.993 1
1 867 . 1 1 1 A 79 79 HIS N N 79 129.160 126.099 3.061 1
1 868 . 1 1 1 A 79 79 HIS H H 79 9.854 9.112 0.742 1
1 869 . 1 1 1 A 79 79 HIS CA C 79 55.150 55.529 -0.379 1
1 870 . 1 1 1 A 79 79 HIS HA H 79 4.921 5.225 -0.304 1
1 871 . 1 1 1 A 79 79 HIS CB C 79 30.772 32.192 -1.420 1
1 877 . 1 1 1 A 79 79 HIS C C 79 174.062 175.191 -1.129 1
1 879 . 1 1 1 A 80 80 THR N N 80 116.006 115.144 0.862 1
1 880 . 1 1 1 A 80 80 THR H H 80 8.526 8.902 -0.376 1
1 881 . 1 1 1 A 80 80 THR CA C 80 60.983 61.611 -0.628 1
1 882 . 1 1 1 A 80 80 THR HA H 80 5.380 5.086 0.294 1
1 883 . 1 1 1 A 80 80 THR CB C 80 70.590 71.451 -0.861 1
1 889 . 1 1 1 A 80 80 THR C C 80 173.671 173.435 0.236 1
1 890 . 1 1 1 A 81 81 ILE N N 81 127.414 128.749 -1.335 1
1 891 . 1 1 1 A 81 81 ILE H H 81 9.745 9.180 0.565 1
1 892 . 1 1 1 A 81 81 ILE CA C 81 60.037 61.115 -1.078 1
1 893 . 1 1 1 A 81 81 ILE HA H 81 4.867 4.389 0.478 1
1 894 . 1 1 1 A 81 81 ILE CB C 81 39.883 37.859 2.024 1
1 906 . 1 1 1 A 81 81 ILE C C 81 175.279 175.202 0.077 1
1 908 . 1 1 1 A 82 82 ASP N N 82 128.375 126.131 2.244 1
1 909 . 1 1 1 A 82 82 ASP H H 82 9.157 8.730 0.427 1
1 910 . 1 1 1 A 82 82 ASP CA C 82 53.084 52.904 0.180 1
1 911 . 1 1 1 A 82 82 ASP HA H 82 5.060 5.502 -0.442 1
1 912 . 1 1 1 A 82 82 ASP CB C 82 42.929 43.409 -0.480 1
1 914 . 1 1 1 A 82 82 ASP C C 82 175.923 175.378 0.545 1
1 916 . 1 1 1 A 83 83 VAL N N 83 125.651 126.476 -0.825 1
1 917 . 1 1 1 A 83 83 VAL H H 83 9.897 8.703 1.194 1
1 918 . 1 1 1 A 83 83 VAL CA C 83 62.407 61.435 0.972 1
1 919 . 1 1 1 A 83 83 VAL HA H 83 4.553 4.935 -0.382 1
1 920 . 1 1 1 A 83 83 VAL CB C 83 33.233 33.169 0.064 1
1 930 . 1 1 1 A 83 83 VAL C C 83 173.327 174.964 -1.637 1
1 931 . 1 1 1 A 84 84 LYS N N 84 124.405 126.694 -2.289 1
1 932 . 1 1 1 A 84 84 LYS H H 84 8.874 8.896 -0.022 1
1 933 . 1 1 1 A 84 84 LYS CA C 84 53.901 54.482 -0.581 1
1 934 . 1 1 1 A 84 84 LYS HA H 84 5.065 5.016 0.049 1
1 935 . 1 1 1 A 84 84 LYS CB C 84 36.851 35.411 1.440 1
1 943 . 1 1 1 A 84 84 LYS C C 84 174.760 174.721 0.039 1
1 948 . 1 1 1 A 85 85 PHE N N 85 120.871 124.523 -3.652 1
1 949 . 1 1 1 A 85 85 PHE H H 85 9.167 9.237 -0.070 1
1 950 . 1 1 1 A 85 85 PHE CA C 85 56.014 57.544 -1.530 1
1 951 . 1 1 1 A 85 85 PHE HA H 85 5.157 4.979 0.178 1
1 952 . 1 1 1 A 85 85 PHE CB C 85 42.916 42.006 0.910 1
1 964 . 1 1 1 A 85 85 PHE C C 85 175.473 174.889 0.584 1
1 966 . 1 1 1 A 86 86 ASN N N 86 126.732 125.520 1.212 1
1 967 . 1 1 1 A 86 86 ASN H H 86 8.714 9.116 -0.402 1
1 968 . 1 1 1 A 86 86 ASN CA C 86 53.835 54.002 -0.167 1
1 969 . 1 1 1 A 86 86 ASN HA H 86 4.216 4.303 -0.087 1
1 970 . 1 1 1 A 86 86 ASN CB C 86 36.789 37.447 -0.658 1
1 975 . 1 1 1 A 86 86 ASN C C 86 175.700 174.720 0.980 1
1 977 . 1 1 1 A 87 87 GLY N N 87 102.449 105.212 -2.763 1
1 978 . 1 1 1 A 87 87 GLY H H 87 8.986 8.650 0.336 1
1 979 . 1 1 1 A 87 87 GLY CA C 87 45.490 46.559 -1.069 1
1 980 . 1 1 1 A 87 87 GLY HA3 H 87 4.223 3.956 0.267 1
1 981 . 1 1 1 A 87 87 GLY C C 87 174.149 173.534 0.615 1
1 982 . 1 1 1 A 87 87 GLY HA2 H 87 3.555 3.952 -0.397 1
1 983 . 1 1 1 A 88 88 SER N N 88 116.260 113.502 2.758 1
1 984 . 1 1 1 A 88 88 SER H H 88 7.670 7.764 -0.094 1
1 985 . 1 1 1 A 88 88 SER CA C 88 57.194 57.636 -0.442 1
1 986 . 1 1 1 A 88 88 SER HA H 88 4.935 4.805 0.130 1
1 987 . 1 1 1 A 88 88 SER CB C 88 65.421 66.383 -0.962 1
1 989 . 1 1 1 A 88 88 SER C C 88 173.491 173.343 0.148 1
1 991 . 1 1 1 A 89 89 HIS N N 89 124.290 124.731 -0.441 1
1 992 . 1 1 1 A 89 89 HIS H H 89 8.847 8.974 -0.127 1
1 993 . 1 1 1 A 89 89 HIS CA C 89 59.048 56.407 2.641 1
1 994 . 1 1 1 A 89 89 HIS HA H 89 4.543 5.018 -0.475 1
1 995 . 1 1 1 A 89 89 HIS CB C 89 32.463 29.900 2.563 1
1 1001 . 1 1 1 A 89 89 HIS C C 89 177.441 175.536 1.905 1
1 1003 . 1 1 1 A 90 90 VAL N N 90 116.253 122.076 -5.823 1
1 1004 . 1 1 1 A 90 90 VAL H H 90 8.283 8.023 0.260 1
1 1005 . 1 1 1 A 90 90 VAL CA C 90 60.279 62.465 -2.186 1
1 1006 . 1 1 1 A 90 90 VAL HA H 90 4.291 4.042 0.249 1
1 1007 . 1 1 1 A 90 90 VAL CB C 90 31.601 33.266 -1.665 1
1 1017 . 1 1 1 A 90 90 VAL C C 90 176.074 175.808 0.266 1
1 1018 . 1 1 1 A 91 91 VAL N N 91 123.139 119.896 3.243 1
1 1019 . 1 1 1 A 91 91 VAL H H 91 8.910 8.442 0.468 1
1 1020 . 1 1 1 A 91 91 VAL CA C 91 66.030 62.850 3.180 1
1 1021 . 1 1 1 A 91 91 VAL HA H 91 3.632 4.027 -0.395 1
1 1022 . 1 1 1 A 91 91 VAL CB C 91 30.897 31.934 -1.037 1
1 1032 . 1 1 1 A 91 91 VAL C C 91 177.012 176.224 0.788 1
1 1033 . 1 1 1 A 92 92 GLY N N 92 116.727 113.644 3.083 1
1 1034 . 1 1 1 A 92 92 GLY H H 92 8.396 8.892 -0.496 1
1 1035 . 1 1 1 A 92 92 GLY CA C 92 44.466 46.380 -1.914 1
1 1036 . 1 1 1 A 92 92 GLY HA3 H 92 4.180 3.620 0.560 1
1 1037 . 1 1 1 A 92 92 GLY C C 92 172.077 172.988 -0.911 1
1 1038 . 1 1 1 A 92 92 GLY HA2 H 92 3.221 3.586 -0.365 1
1 1039 . 1 1 1 A 93 93 SER N N 93 112.885 114.552 -1.667 1
1 1040 . 1 1 1 A 93 93 SER H H 93 7.484 7.502 -0.018 1
1 1041 . 1 1 1 A 93 93 SER CA C 93 54.547 54.650 -0.103 1
1 1042 . 1 1 1 A 93 93 SER HA H 93 4.065 4.401 -0.336 1
1 1043 . 1 1 1 A 93 93 SER CB C 93 62.575 65.905 -3.330 1
1 1045 . 1 1 1 A 93 93 SER C C 93 174.608 172.047 2.561 1
1 1047 . 1 1 1 A 94 94 PRO CA C 94 62.477 62.378 0.099 1
1 1048 . 1 1 1 A 94 94 PRO HA H 94 5.491 4.667 0.824 1
1 1049 . 1 1 1 A 94 94 PRO CB C 94 34.106 32.726 1.380 1
1 1055 . 1 1 1 A 94 94 PRO C C 94 176.779 175.100 1.679 1
1 1059 . 1 1 1 A 95 95 PHE N N 95 123.133 119.209 3.924 1
1 1060 . 1 1 1 A 95 95 PHE H H 95 9.200 8.534 0.666 1
1 1061 . 1 1 1 A 95 95 PHE CA C 95 57.291 57.415 -0.124 1
1 1062 . 1 1 1 A 95 95 PHE HA H 95 4.581 4.868 -0.287 1
1 1063 . 1 1 1 A 95 95 PHE CB C 95 41.165 41.604 -0.439 1
1 1075 . 1 1 1 A 95 95 PHE C C 95 175.687 175.429 0.258 1
1 1077 . 1 1 1 A 96 96 LYS N N 96 122.134 121.115 1.019 1
1 1078 . 1 1 1 A 96 96 LYS H H 96 8.790 8.838 -0.048 1
1 1079 . 1 1 1 A 96 96 LYS CA C 96 55.249 55.159 0.090 1
1 1080 . 1 1 1 A 96 96 LYS HA H 96 5.276 5.230 0.046 1
1 1081 . 1 1 1 A 96 96 LYS CB C 96 33.836 35.345 -1.509 1
1 1089 . 1 1 1 A 96 96 LYS C C 96 176.515 175.911 0.604 1
1 1094 . 1 1 1 A 97 97 VAL N N 97 117.706 118.138 -0.432 1
1 1095 . 1 1 1 A 97 97 VAL H H 97 8.873 8.535 0.338 1
1 1096 . 1 1 1 A 97 97 VAL CA C 97 59.188 59.824 -0.636 1
1 1097 . 1 1 1 A 97 97 VAL HA H 97 4.917 4.795 0.122 1
1 1098 . 1 1 1 A 97 97 VAL CB C 97 35.185 35.250 -0.065 1
1 1108 . 1 1 1 A 97 97 VAL C C 97 173.801 173.958 -0.157 1
1 1109 . 1 1 1 A 98 98 ARG N N 98 125.203 126.882 -1.679 1
1 1110 . 1 1 1 A 98 98 ARG H H 98 8.826 8.782 0.044 1
1 1111 . 1 1 1 A 98 98 ARG CA C 98 56.337 55.501 0.836 1
1 1112 . 1 1 1 A 98 98 ARG HA H 98 4.610 4.839 -0.229 1
1 1113 . 1 1 1 A 98 98 ARG CB C 98 32.031 31.292 0.739 1
1 1119 . 1 1 1 A 98 98 ARG C C 98 174.438 176.072 -1.634 1
1 1123 . 1 1 1 A 99 99 VAL N N 99 127.382 128.077 -0.695 1
1 1124 . 1 1 1 A 99 99 VAL H H 99 8.144 8.852 -0.708 1
1 1125 . 1 1 1 A 99 99 VAL CA C 99 61.216 62.957 -1.741 1
1 1126 . 1 1 1 A 99 99 VAL HA H 99 4.115 4.285 -0.170 1
1 1127 . 1 1 1 A 99 99 VAL CB C 99 32.590 32.190 0.400 1
1 1137 . 1 1 1 A 99 99 VAL C C 99 176.994 175.545 1.449 1
1 1138 . 1 1 1 A 100 100 GLY N N 100 117.424 114.372 3.052 1
1 1139 . 1 1 1 A 100 100 GLY H H 100 8.682 8.283 0.399 1
1 1140 . 1 1 1 A 100 100 GLY CA C 100 44.650 44.105 0.545 1
1 1141 . 1 1 1 A 100 100 GLY HA3 H 100 4.386 4.155 0.231 1
1 1142 . 1 1 1 A 100 100 GLY C C 100 173.180 172.439 0.741 1
1 1143 . 1 1 1 A 100 100 GLY HA2 H 100 3.954 4.148 -0.194 1
1 1144 . 1 1 1 A 101 101 GLU N N 101 119.495 118.710 0.785 1
1 1145 . 1 1 1 A 101 101 GLU H H 101 8.383 8.598 -0.215 1
1 1146 . 1 1 1 A 101 101 GLU CA C 101 54.168 53.246 0.922 1
1 1147 . 1 1 1 A 101 101 GLU HA H 101 4.661 4.928 -0.267 1
1 1148 . 1 1 1 A 101 101 GLU CB C 101 29.836 33.431 -3.595 1
1 1152 . 1 1 1 A 101 101 GLU C C 101 175.458 174.022 1.436 1
1 1155 . 1 1 1 A 102 102 PRO CA C 102 63.897 62.750 1.147 1
1 1156 . 1 1 1 A 102 102 PRO HA H 102 4.361 4.661 -0.300 1
1 1157 . 1 1 1 A 102 102 PRO CB C 102 31.946 30.531 1.415 1
1 1163 . 1 1 1 A 102 102 PRO C C 102 177.509 176.021 1.488 1
1 1167 . 1 1 1 A 103 103 GLY N N 103 109.378 111.795 -2.417 1
1 1168 . 1 1 1 A 103 103 GLY H H 103 8.552 7.124 1.428 1
1 1169 . 1 1 1 A 103 103 GLY CA C 103 45.263 45.345 -0.082 1
1 1170 . 1 1 1 A 103 103 GLY HA3 H 103 3.962 4.108 -0.146 1
1 1171 . 1 1 1 A 103 103 GLY C C 103 174.277 172.268 2.009 1
1 1172 . 1 1 1 A 103 103 GLY HA2 H 103 3.962 4.108 -0.146 1
1 1173 . 1 1 1 A 104 104 GLN N N 104 119.735 116.171 3.564 1
1 1174 . 1 1 1 A 104 104 GLN H H 104 8.096 8.767 -0.671 1
1 1175 . 1 1 1 A 104 104 GLN CA C 104 55.924 54.010 1.914 1
1 1176 . 1 1 1 A 104 104 GLN HA H 104 4.339 5.049 -0.710 1
1 1177 . 1 1 1 A 104 104 GLN CB C 104 29.622 31.694 -2.072 1
1 1184 . 1 1 1 A 104 104 GLN C C 104 175.669 173.804 1.865 1
1 1187 . 1 1 1 A 105 105 ALA N N 105 125.603 126.685 -1.082 1
1 1188 . 1 1 1 A 105 105 ALA H H 105 8.389 8.886 -0.497 1
1 1189 . 1 1 1 A 105 105 ALA CA C 105 52.416 50.461 1.955 1
1 1190 . 1 1 1 A 105 105 ALA HA H 105 4.385 5.137 -0.752 1
1 1191 . 1 1 1 A 105 105 ALA CB C 105 19.608 20.815 -1.207 1
1 1195 . 1 1 1 A 105 105 ALA C C 105 176.971 176.660 0.311 1
1 1 . 2 1 1 A 8 8 SER CA C 8 59.066 57.578 1.488 1
1 2 . 2 1 1 A 8 8 SER HA H 8 4.444 5.159 -0.715 1
1 3 . 2 1 1 A 8 8 SER CB C 8 63.749 66.994 -3.245 1
1 5 . 2 1 1 A 8 8 SER C C 8 174.832 173.458 1.374 1
1 7 . 2 1 1 A 9 9 ASP N N 9 122.244 123.723 -1.479 1
1 8 . 2 1 1 A 9 9 ASP H H 9 8.460 8.550 -0.090 1
1 9 . 2 1 1 A 9 9 ASP CA C 9 54.943 52.947 1.996 1
1 10 . 2 1 1 A 9 9 ASP HA H 9 4.730 4.942 -0.212 1
1 11 . 2 1 1 A 9 9 ASP CB C 9 41.125 41.615 -0.490 1
1 13 . 2 1 1 A 9 9 ASP C C 9 176.845 176.008 0.837 1
1 15 . 2 1 1 A 10 10 ASP N N 10 120.929 118.938 1.991 1
1 16 . 2 1 1 A 10 10 ASP H H 10 8.121 9.098 -0.977 1
1 17 . 2 1 1 A 10 10 ASP CA C 10 55.841 53.717 2.124 1
1 18 . 2 1 1 A 10 10 ASP HA H 10 4.523 5.066 -0.543 1
1 19 . 2 1 1 A 10 10 ASP CB C 10 41.834 41.275 0.559 1
1 21 . 2 1 1 A 10 10 ASP C C 10 177.047 176.457 0.590 1
1 23 . 2 1 1 A 11 11 ALA N N 11 122.815 122.421 0.394 1
1 24 . 2 1 1 A 11 11 ALA H H 11 8.520 8.101 0.419 1
1 25 . 2 1 1 A 11 11 ALA CA C 11 54.828 55.249 -0.421 1
1 26 . 2 1 1 A 11 11 ALA HA H 11 4.004 3.901 0.103 1
1 27 . 2 1 1 A 11 11 ALA CB C 11 19.454 18.579 0.875 1
1 31 . 2 1 1 A 11 11 ALA C C 11 179.280 179.701 -0.421 1
1 32 . 2 1 1 A 12 12 ARG N N 12 115.782 118.188 -2.406 1
1 33 . 2 1 1 A 12 12 ARG H H 12 8.159 8.147 0.012 1
1 34 . 2 1 1 A 12 12 ARG CA C 12 57.578 59.149 -1.571 1
1 35 . 2 1 1 A 12 12 ARG HA H 12 4.310 4.136 0.174 1
1 36 . 2 1 1 A 12 12 ARG CB C 12 29.817 29.761 0.056 1
1 42 . 2 1 1 A 12 12 ARG C C 12 176.412 177.845 -1.433 1
1 46 . 2 1 1 A 13 13 ARG N N 13 117.438 116.805 0.633 1
1 47 . 2 1 1 A 13 13 ARG H H 13 7.858 7.730 0.128 1
1 48 . 2 1 1 A 13 13 ARG CA C 13 56.855 55.718 1.137 1
1 49 . 2 1 1 A 13 13 ARG HA H 13 4.183 4.403 -0.220 1
1 50 . 2 1 1 A 13 13 ARG CB C 13 30.976 28.757 2.219 1
1 56 . 2 1 1 A 13 13 ARG C C 13 176.451 174.280 2.171 1
1 60 . 2 1 1 A 14 14 LEU N N 14 121.077 122.054 -0.977 1
1 61 . 2 1 1 A 14 14 LEU H H 14 6.925 7.497 -0.572 1
1 62 . 2 1 1 A 14 14 LEU CA C 14 56.582 53.538 3.044 1
1 63 . 2 1 1 A 14 14 LEU HA H 14 4.394 4.943 -0.549 1
1 64 . 2 1 1 A 14 14 LEU CB C 14 42.968 45.463 -2.495 1
1 76 . 2 1 1 A 14 14 LEU C C 14 177.296 175.009 2.287 1
1 78 . 2 1 1 A 15 15 THR N N 15 115.028 121.072 -6.044 1
1 79 . 2 1 1 A 15 15 THR H H 15 8.716 8.676 0.040 1
1 80 . 2 1 1 A 15 15 THR CA C 15 61.169 61.659 -0.490 1
1 81 . 2 1 1 A 15 15 THR HA H 15 4.667 5.011 -0.344 1
1 82 . 2 1 1 A 15 15 THR CB C 15 71.348 70.680 0.668 1
1 88 . 2 1 1 A 15 15 THR C C 15 173.454 173.804 -0.350 1
1 89 . 2 1 1 A 16 16 VAL N N 16 126.736 126.998 -0.262 1
1 90 . 2 1 1 A 16 16 VAL H H 16 8.727 8.802 -0.075 1
1 91 . 2 1 1 A 16 16 VAL CA C 16 62.600 61.356 1.244 1
1 92 . 2 1 1 A 16 16 VAL HA H 16 4.539 4.563 -0.024 1
1 93 . 2 1 1 A 16 16 VAL CB C 16 32.521 33.075 -0.554 1
1 103 . 2 1 1 A 16 16 VAL C C 16 175.348 174.825 0.523 1
1 104 . 2 1 1 A 17 17 MET N N 17 126.444 124.235 2.209 1
1 105 . 2 1 1 A 17 17 MET H H 17 9.255 8.895 0.360 1
1 106 . 2 1 1 A 17 17 MET CA C 17 54.872 54.064 0.808 1
1 107 . 2 1 1 A 17 17 MET HA H 17 4.806 4.877 -0.071 1
1 108 . 2 1 1 A 17 17 MET CB C 17 35.443 36.213 -0.770 1
1 116 . 2 1 1 A 17 17 MET C C 17 174.681 175.313 -0.632 1
1 119 . 2 1 1 A 18 18 SER N N 18 112.443 112.347 0.096 1
1 120 . 2 1 1 A 18 18 SER H H 18 8.568 8.576 -0.008 1
1 121 . 2 1 1 A 18 18 SER CA C 18 58.711 59.298 -0.587 1
1 122 . 2 1 1 A 18 18 SER HA H 18 4.018 4.034 -0.016 1
1 123 . 2 1 1 A 18 18 SER CB C 18 62.009 61.912 0.097 1
1 125 . 2 1 1 A 18 18 SER C C 18 173.373 172.823 0.550 1
1 127 . 2 1 1 A 19 19 LEU N N 19 122.011 121.927 0.084 1
1 128 . 2 1 1 A 19 19 LEU H H 19 7.996 7.719 0.277 1
1 129 . 2 1 1 A 19 19 LEU CA C 19 54.978 54.102 0.876 1
1 130 . 2 1 1 A 19 19 LEU HA H 19 4.283 4.775 -0.492 1
1 131 . 2 1 1 A 19 19 LEU CB C 19 41.955 44.198 -2.243 1
1 143 . 2 1 1 A 19 19 LEU C C 19 176.135 175.862 0.273 1
1 145 . 2 1 1 A 20 20 GLN N N 20 127.739 125.090 2.649 1
1 146 . 2 1 1 A 20 20 GLN H H 20 8.669 8.321 0.348 1
1 147 . 2 1 1 A 20 20 GLN CA C 20 55.617 53.549 2.068 1
1 148 . 2 1 1 A 20 20 GLN HA H 20 4.400 4.713 -0.313 1
1 149 . 2 1 1 A 20 20 GLN CB C 20 29.298 30.665 -1.367 1
1 156 . 2 1 1 A 20 20 GLN C C 20 175.033 174.969 0.064 1
1 159 . 2 1 1 A 21 21 GLU N N 21 121.152 118.036 3.116 1
1 160 . 2 1 1 A 21 21 GLU H H 21 8.546 8.972 -0.426 1
1 161 . 2 1 1 A 21 21 GLU CA C 21 57.598 57.067 0.531 1
1 162 . 2 1 1 A 21 21 GLU HA H 21 4.310 4.675 -0.365 1
1 163 . 2 1 1 A 21 21 GLU CB C 21 30.764 32.406 -1.642 1
1 167 . 2 1 1 A 21 21 GLU C C 21 176.581 177.385 -0.804 1
1 170 . 2 1 1 A 22 22 SER N N 22 113.328 110.697 2.631 1
1 171 . 2 1 1 A 22 22 SER H H 22 8.018 8.023 -0.005 1
1 172 . 2 1 1 A 22 22 SER CA C 22 57.682 57.063 0.619 1
1 173 . 2 1 1 A 22 22 SER HA H 22 4.997 4.790 0.207 1
1 174 . 2 1 1 A 22 22 SER CB C 22 64.489 64.107 0.382 1
1 176 . 2 1 1 A 22 22 SER C C 22 174.062 174.904 -0.842 1
1 178 . 2 1 1 A 23 23 GLY N N 23 109.317 109.631 -0.314 1
1 179 . 2 1 1 A 23 23 GLY H H 23 8.828 7.933 0.895 1
1 180 . 2 1 1 A 23 23 GLY CA C 23 45.609 45.819 -0.210 1
1 181 . 2 1 1 A 23 23 GLY HA3 H 23 4.116 4.054 0.062 1
1 182 . 2 1 1 A 23 23 GLY C C 23 174.629 173.560 1.069 1
1 183 . 2 1 1 A 23 23 GLY HA2 H 23 3.832 4.054 -0.222 1
1 184 . 2 1 1 A 24 24 LEU N N 24 120.545 120.934 -0.389 1
1 185 . 2 1 1 A 24 24 LEU H H 24 7.559 7.468 0.091 1
1 186 . 2 1 1 A 24 24 LEU CA C 24 55.569 53.337 2.232 1
1 187 . 2 1 1 A 24 24 LEU HA H 24 4.310 4.762 -0.452 1
1 188 . 2 1 1 A 24 24 LEU CB C 24 42.978 43.736 -0.758 1
1 200 . 2 1 1 A 24 24 LEU C C 24 176.704 175.912 0.792 1
1 202 . 2 1 1 A 25 25 LYS N N 25 122.188 119.481 2.707 1
1 203 . 2 1 1 A 25 25 LYS H H 25 8.828 8.585 0.243 1
1 204 . 2 1 1 A 25 25 LYS CA C 25 54.686 54.881 -0.195 1
1 205 . 2 1 1 A 25 25 LYS HA H 25 4.676 5.050 -0.374 1
1 206 . 2 1 1 A 25 25 LYS CB C 25 35.736 35.134 0.602 1
1 214 . 2 1 1 A 25 25 LYS C C 25 175.885 176.457 -0.572 1
1 219 . 2 1 1 A 26 26 VAL N N 26 121.689 124.927 -3.238 1
1 220 . 2 1 1 A 26 26 VAL H H 26 8.503 8.564 -0.061 1
1 221 . 2 1 1 A 26 26 VAL CA C 26 64.069 62.084 1.985 1
1 222 . 2 1 1 A 26 26 VAL HA H 26 3.218 4.142 -0.924 1
1 223 . 2 1 1 A 26 26 VAL CB C 26 31.636 32.420 -0.784 1
1 233 . 2 1 1 A 26 26 VAL C C 26 175.837 175.965 -0.128 1
1 234 . 2 1 1 A 27 27 ASN N N 27 116.772 123.101 -6.329 1
1 235 . 2 1 1 A 27 27 ASN H H 27 8.682 9.143 -0.461 1
1 236 . 2 1 1 A 27 27 ASN CA C 27 55.183 53.974 1.209 1
1 237 . 2 1 1 A 27 27 ASN HA H 27 4.138 4.393 -0.255 1
1 238 . 2 1 1 A 27 27 ASN CB C 27 37.242 36.191 1.051 1
1 243 . 2 1 1 A 27 27 ASN C C 27 173.308 174.009 -0.701 1
1 245 . 2 1 1 A 28 28 GLN N N 28 118.793 118.711 0.082 1
1 246 . 2 1 1 A 28 28 GLN H H 28 7.544 7.624 -0.080 1
1 247 . 2 1 1 A 28 28 GLN CA C 28 52.212 52.446 -0.234 1
1 248 . 2 1 1 A 28 28 GLN HA H 28 4.893 4.688 0.205 1
1 249 . 2 1 1 A 28 28 GLN CB C 28 30.060 31.050 -0.990 1
1 256 . 2 1 1 A 28 28 GLN C C 28 173.078 173.220 -0.142 1
1 259 . 2 1 1 A 29 29 PRO CA C 29 63.563 62.938 0.625 1
1 260 . 2 1 1 A 29 29 PRO HA H 29 4.294 4.616 -0.322 1
1 261 . 2 1 1 A 29 29 PRO CB C 29 31.874 31.663 0.211 1
1 267 . 2 1 1 A 29 29 PRO C C 29 175.250 175.828 -0.578 1
1 271 . 2 1 1 A 30 30 ALA N N 30 128.803 125.978 2.825 1
1 272 . 2 1 1 A 30 30 ALA H H 30 8.887 8.265 0.622 1
1 273 . 2 1 1 A 30 30 ALA CA C 30 50.558 50.838 -0.280 1
1 274 . 2 1 1 A 30 30 ALA HA H 30 4.539 4.917 -0.378 1
1 275 . 2 1 1 A 30 30 ALA CB C 30 21.602 21.375 0.227 1
1 279 . 2 1 1 A 30 30 ALA C C 30 175.510 175.882 -0.372 1
1 280 . 2 1 1 A 31 31 SER N N 31 112.512 116.343 -3.831 1
1 281 . 2 1 1 A 31 31 SER H H 31 8.214 8.931 -0.717 1
1 282 . 2 1 1 A 31 31 SER CA C 31 56.701 55.745 0.956 1
1 283 . 2 1 1 A 31 31 SER HA H 31 5.832 5.947 -0.115 1
1 284 . 2 1 1 A 31 31 SER CB C 31 66.721 66.372 0.349 1
1 286 . 2 1 1 A 31 31 SER C C 31 173.379 174.154 -0.775 1
1 288 . 2 1 1 A 32 32 PHE N N 32 119.232 118.034 1.198 1
1 289 . 2 1 1 A 32 32 PHE H H 32 8.798 8.212 0.586 1
1 290 . 2 1 1 A 32 32 PHE CA C 32 56.218 55.358 0.860 1
1 291 . 2 1 1 A 32 32 PHE HA H 32 4.925 5.699 -0.774 1
1 292 . 2 1 1 A 32 32 PHE CB C 32 39.752 41.868 -2.116 1
1 304 . 2 1 1 A 32 32 PHE C C 32 172.709 173.085 -0.376 1
1 306 . 2 1 1 A 33 33 ALA N N 33 122.788 121.993 0.795 1
1 307 . 2 1 1 A 33 33 ALA H H 33 8.827 9.014 -0.187 1
1 308 . 2 1 1 A 33 33 ALA CA C 33 50.616 50.272 0.344 1
1 309 . 2 1 1 A 33 33 ALA HA H 33 5.654 5.664 -0.010 1
1 310 . 2 1 1 A 33 33 ALA CB C 33 22.616 21.165 1.451 1
1 314 . 2 1 1 A 33 33 ALA C C 33 175.770 175.845 -0.075 1
1 315 . 2 1 1 A 34 34 ILE N N 34 118.542 124.109 -5.567 1
1 316 . 2 1 1 A 34 34 ILE H H 34 9.194 8.879 0.315 1
1 317 . 2 1 1 A 34 34 ILE CA C 34 59.486 60.609 -1.123 1
1 318 . 2 1 1 A 34 34 ILE HA H 34 4.978 4.727 0.251 1
1 319 . 2 1 1 A 34 34 ILE CB C 34 42.577 39.024 3.553 1
1 331 . 2 1 1 A 34 34 ILE C C 34 174.924 174.646 0.278 1
1 333 . 2 1 1 A 35 35 ARG N N 35 126.774 128.889 -2.115 1
1 334 . 2 1 1 A 35 35 ARG H H 35 9.038 9.117 -0.079 1
1 335 . 2 1 1 A 35 35 ARG CA C 35 54.096 56.025 -1.929 1
1 336 . 2 1 1 A 35 35 ARG HA H 35 5.283 4.736 0.547 1
1 337 . 2 1 1 A 35 35 ARG CB C 35 32.039 31.414 0.625 1
1 343 . 2 1 1 A 35 35 ARG C C 35 175.959 174.904 1.055 1
1 347 . 2 1 1 A 36 36 LEU N N 36 123.887 126.872 -2.985 1
1 348 . 2 1 1 A 36 36 LEU H H 36 8.648 8.795 -0.147 1
1 349 . 2 1 1 A 36 36 LEU CA C 36 56.318 53.231 3.087 1
1 350 . 2 1 1 A 36 36 LEU HA H 36 4.037 4.843 -0.806 1
1 351 . 2 1 1 A 36 36 LEU CB C 36 41.028 43.901 -2.873 1
1 363 . 2 1 1 A 36 36 LEU C C 36 177.292 176.473 0.819 1
1 365 . 2 1 1 A 37 37 ASN N N 37 115.087 122.683 -7.596 1
1 366 . 2 1 1 A 37 37 ASN H H 37 8.594 8.532 0.062 1
1 367 . 2 1 1 A 37 37 ASN CA C 37 54.182 53.137 1.045 1
1 368 . 2 1 1 A 37 37 ASN HA H 37 4.407 4.835 -0.428 1
1 369 . 2 1 1 A 37 37 ASN CB C 37 37.687 38.840 -1.153 1
1 374 . 2 1 1 A 37 37 ASN C C 37 176.277 175.690 0.587 1
1 376 . 2 1 1 A 38 38 GLY N N 38 106.329 108.002 -1.673 1
1 377 . 2 1 1 A 38 38 GLY H H 38 9.506 8.030 1.476 1
1 378 . 2 1 1 A 38 38 GLY CA C 38 45.290 45.682 -0.392 1
1 379 . 2 1 1 A 38 38 GLY HA3 H 38 4.156 4.007 0.149 1
1 380 . 2 1 1 A 38 38 GLY C C 38 174.483 174.572 -0.089 1
1 381 . 2 1 1 A 38 38 GLY HA2 H 38 3.617 3.994 -0.377 1
1 382 . 2 1 1 A 39 39 ALA N N 39 124.015 123.412 0.603 1
1 383 . 2 1 1 A 39 39 ALA H H 39 7.483 8.023 -0.540 1
1 384 . 2 1 1 A 39 39 ALA CA C 39 52.396 51.396 1.000 1
1 385 . 2 1 1 A 39 39 ALA HA H 39 4.280 4.469 -0.189 1
1 386 . 2 1 1 A 39 39 ALA CB C 39 20.424 20.276 0.148 1
1 390 . 2 1 1 A 39 39 ALA C C 39 176.275 177.635 -1.360 1
1 391 . 2 1 1 A 40 40 LYS N N 40 119.513 121.046 -1.533 1
1 392 . 2 1 1 A 40 40 LYS H H 40 8.685 8.624 0.061 1
1 393 . 2 1 1 A 40 40 LYS CA C 40 54.696 55.738 -1.042 1
1 394 . 2 1 1 A 40 40 LYS HA H 40 4.811 4.937 -0.126 1
1 395 . 2 1 1 A 40 40 LYS CB C 40 34.324 33.772 0.552 1
1 403 . 2 1 1 A 40 40 LYS C C 40 176.004 176.047 -0.043 1
1 408 . 2 1 1 A 41 41 GLY N N 41 111.941 107.764 4.177 1
1 409 . 2 1 1 A 41 41 GLY H H 41 8.398 8.235 0.163 1
1 410 . 2 1 1 A 41 41 GLY CA C 41 45.887 45.411 0.476 1
1 411 . 2 1 1 A 41 41 GLY HA3 H 41 3.722 4.031 -0.309 1
1 412 . 2 1 1 A 41 41 GLY C C 41 171.021 171.116 -0.095 1
1 413 . 2 1 1 A 41 41 GLY HA2 H 41 3.722 3.711 0.011 1
1 414 . 2 1 1 A 42 42 LYS N N 42 119.600 119.865 -0.265 1
1 415 . 2 1 1 A 42 42 LYS H H 42 7.293 8.110 -0.817 1
1 416 . 2 1 1 A 42 42 LYS CA C 42 54.522 55.429 -0.907 1
1 417 . 2 1 1 A 42 42 LYS HA H 42 4.467 4.585 -0.118 1
1 418 . 2 1 1 A 42 42 LYS CB C 42 34.979 33.977 1.002 1
1 426 . 2 1 1 A 42 42 LYS C C 42 175.675 175.235 0.440 1
1 431 . 2 1 1 A 43 43 ILE N N 43 127.421 125.421 2.000 1
1 432 . 2 1 1 A 43 43 ILE H H 43 8.706 8.870 -0.164 1
1 433 . 2 1 1 A 43 43 ILE CA C 43 60.336 60.197 0.139 1
1 434 . 2 1 1 A 43 43 ILE HA H 43 4.695 4.680 0.015 1
1 435 . 2 1 1 A 43 43 ILE CB C 43 39.322 37.739 1.583 1
1 447 . 2 1 1 A 43 43 ILE C C 43 174.542 173.945 0.597 1
1 449 . 2 1 1 A 44 44 ASP N N 44 127.995 129.415 -1.420 1
1 450 . 2 1 1 A 44 44 ASP H H 44 8.861 8.894 -0.033 1
1 451 . 2 1 1 A 44 44 ASP CA C 44 53.245 52.922 0.323 1
1 452 . 2 1 1 A 44 44 ASP HA H 44 4.817 5.350 -0.533 1
1 453 . 2 1 1 A 44 44 ASP CB C 44 44.577 43.816 0.761 1
1 455 . 2 1 1 A 44 44 ASP C C 44 173.768 174.618 -0.850 1
1 457 . 2 1 1 A 45 45 ALA N N 45 127.601 127.960 -0.359 1
1 458 . 2 1 1 A 45 45 ALA H H 45 8.819 8.970 -0.151 1
1 459 . 2 1 1 A 45 45 ALA CA C 45 50.180 51.366 -1.186 1
1 460 . 2 1 1 A 45 45 ALA HA H 45 5.859 5.254 0.605 1
1 461 . 2 1 1 A 45 45 ALA CB C 45 21.379 21.681 -0.302 1
1 465 . 2 1 1 A 45 45 ALA C C 45 175.393 176.028 -0.635 1
1 466 . 2 1 1 A 46 46 LYS N N 46 122.427 122.451 -0.024 1
1 467 . 2 1 1 A 46 46 LYS H H 46 8.723 8.601 0.122 1
1 468 . 2 1 1 A 46 46 LYS CA C 46 55.090 54.886 0.204 1
1 469 . 2 1 1 A 46 46 LYS HA H 46 5.057 5.076 -0.019 1
1 470 . 2 1 1 A 46 46 LYS CB C 46 37.534 36.980 0.554 1
1 478 . 2 1 1 A 46 46 LYS C C 46 173.473 174.537 -1.064 1
1 483 . 2 1 1 A 47 47 VAL N N 47 120.177 121.966 -1.789 1
1 484 . 2 1 1 A 47 47 VAL H H 47 8.989 9.016 -0.027 1
1 485 . 2 1 1 A 47 47 VAL CA C 47 59.152 60.131 -0.979 1
1 486 . 2 1 1 A 47 47 VAL HA H 47 4.875 4.865 0.010 1
1 487 . 2 1 1 A 47 47 VAL CB C 47 34.502 34.156 0.346 1
1 497 . 2 1 1 A 47 47 VAL C C 47 173.786 174.085 -0.299 1
1 498 . 2 1 1 A 48 48 HIS N N 48 127.949 128.284 -0.335 1
1 499 . 2 1 1 A 48 48 HIS H H 48 9.661 9.708 -0.047 1
1 500 . 2 1 1 A 48 48 HIS CA C 48 53.917 55.716 -1.799 1
1 501 . 2 1 1 A 48 48 HIS HA H 48 5.238 5.134 0.104 1
1 502 . 2 1 1 A 48 48 HIS CB C 48 30.549 32.180 -1.631 1
1 508 . 2 1 1 A 48 48 HIS C C 48 175.556 174.392 1.164 1
1 510 . 2 1 1 A 49 49 SER N N 49 121.639 114.944 6.695 1
1 511 . 2 1 1 A 49 49 SER H H 49 9.114 8.271 0.843 1
1 512 . 2 1 1 A 49 49 SER CA C 49 56.693 55.037 1.656 1
1 513 . 2 1 1 A 49 49 SER HA H 49 4.391 5.000 -0.609 1
1 514 . 2 1 1 A 49 49 SER CB C 49 63.160 64.562 -1.402 1
1 516 . 2 1 1 A 49 49 SER C C 49 174.390 174.197 0.193 1
1 518 . 2 1 1 A 50 50 PRO CA C 50 65.732 64.175 1.557 1
1 519 . 2 1 1 A 50 50 PRO HA H 50 4.247 4.495 -0.248 1
1 520 . 2 1 1 A 50 50 PRO CB C 50 31.516 31.671 -0.155 1
1 526 . 2 1 1 A 50 50 PRO C C 50 177.969 177.455 0.514 1
1 530 . 2 1 1 A 51 51 SER N N 51 110.808 112.318 -1.510 1
1 531 . 2 1 1 A 51 51 SER H H 51 8.539 7.965 0.574 1
1 532 . 2 1 1 A 51 51 SER CA C 51 59.311 59.209 0.102 1
1 533 . 2 1 1 A 51 51 SER HA H 51 4.331 4.485 -0.154 1
1 534 . 2 1 1 A 51 51 SER CB C 51 62.767 63.620 -0.853 1
1 536 . 2 1 1 A 51 51 SER C C 51 175.339 174.503 0.836 1
1 538 . 2 1 1 A 52 52 GLY N N 52 110.692 108.673 2.019 1
1 539 . 2 1 1 A 52 52 GLY H H 52 8.181 8.009 0.172 1
1 540 . 2 1 1 A 52 52 GLY CA C 52 44.862 45.343 -0.481 1
1 541 . 2 1 1 A 52 52 GLY HA3 H 52 4.444 4.043 0.401 1
1 542 . 2 1 1 A 52 52 GLY C C 52 174.389 173.934 0.455 1
1 543 . 2 1 1 A 52 52 GLY HA2 H 52 3.634 4.031 -0.397 1
1 544 . 2 1 1 A 53 53 ALA N N 53 124.417 122.334 2.083 1
1 545 . 2 1 1 A 53 53 ALA H H 53 7.419 7.688 -0.269 1
1 546 . 2 1 1 A 53 53 ALA CA C 53 52.538 50.345 2.193 1
1 547 . 2 1 1 A 53 53 ALA HA H 53 4.373 4.780 -0.407 1
1 548 . 2 1 1 A 53 53 ALA CB C 53 19.207 22.385 -3.178 1
1 552 . 2 1 1 A 53 53 ALA C C 53 176.519 175.877 0.642 1
1 553 . 2 1 1 A 54 54 VAL N N 54 121.228 120.713 0.515 1
1 554 . 2 1 1 A 54 54 VAL H H 54 8.429 8.757 -0.328 1
1 555 . 2 1 1 A 54 54 VAL CA C 54 60.672 61.315 -0.643 1
1 556 . 2 1 1 A 54 54 VAL HA H 54 4.980 4.500 0.480 1
1 557 . 2 1 1 A 54 54 VAL CB C 54 33.933 33.447 0.486 1
1 567 . 2 1 1 A 54 54 VAL C C 54 175.443 175.070 0.373 1
1 568 . 2 1 1 A 55 55 GLU N N 55 126.290 127.250 -0.960 1
1 569 . 2 1 1 A 55 55 GLU H H 55 8.640 8.810 -0.170 1
1 570 . 2 1 1 A 55 55 GLU CA C 55 54.306 54.693 -0.387 1
1 571 . 2 1 1 A 55 55 GLU HA H 55 4.754 4.873 -0.119 1
1 572 . 2 1 1 A 55 55 GLU CB C 55 33.612 32.650 0.962 1
1 576 . 2 1 1 A 55 55 GLU C C 55 175.073 174.869 0.204 1
1 579 . 2 1 1 A 56 56 GLU N N 56 123.200 121.817 1.383 1
1 580 . 2 1 1 A 56 56 GLU H H 56 8.878 8.886 -0.008 1
1 581 . 2 1 1 A 56 56 GLU CA C 56 56.966 54.633 2.333 1
1 582 . 2 1 1 A 56 56 GLU HA H 56 4.479 5.125 -0.646 1
1 583 . 2 1 1 A 56 56 GLU CB C 56 30.258 33.461 -3.203 1
1 587 . 2 1 1 A 56 56 GLU C C 56 177.592 175.159 2.433 1
1 590 . 2 1 1 A 57 57 CYS N N 57 121.919 124.659 -2.740 1
1 591 . 2 1 1 A 57 57 CYS H H 57 8.496 8.286 0.210 1
1 592 . 2 1 1 A 57 57 CYS CA C 57 59.030 58.022 1.008 1
1 593 . 2 1 1 A 57 57 CYS HA H 57 4.690 5.149 -0.459 1
1 594 . 2 1 1 A 57 57 CYS CB C 57 29.620 28.542 1.078 1
1 596 . 2 1 1 A 57 57 CYS C C 57 173.871 174.326 -0.455 1
1 598 . 2 1 1 A 58 58 HIS N N 58 123.415 124.287 -0.872 1
1 599 . 2 1 1 A 58 58 HIS H H 58 8.961 8.751 0.210 1
1 600 . 2 1 1 A 58 58 HIS CA C 58 56.751 56.656 0.095 1
1 601 . 2 1 1 A 58 58 HIS HA H 58 4.725 4.661 0.064 1
1 602 . 2 1 1 A 58 58 HIS CB C 58 31.813 29.897 1.916 1
1 608 . 2 1 1 A 58 58 HIS C C 58 174.903 173.466 1.437 1
1 610 . 2 1 1 A 59 59 VAL N N 59 128.900 129.663 -0.763 1
1 611 . 2 1 1 A 59 59 VAL H H 59 8.521 9.089 -0.568 1
1 612 . 2 1 1 A 59 59 VAL CA C 59 61.131 61.327 -0.196 1
1 613 . 2 1 1 A 59 59 VAL HA H 59 5.142 4.695 0.447 1
1 614 . 2 1 1 A 59 59 VAL CB C 59 33.825 32.982 0.843 1
1 624 . 2 1 1 A 59 59 VAL C C 59 175.539 174.551 0.988 1
1 625 . 2 1 1 A 60 60 SER N N 60 120.428 123.036 -2.608 1
1 626 . 2 1 1 A 60 60 SER H H 60 8.995 8.670 0.325 1
1 627 . 2 1 1 A 60 60 SER CA C 60 56.782 56.474 0.308 1
1 628 . 2 1 1 A 60 60 SER HA H 60 4.823 5.277 -0.454 1
1 629 . 2 1 1 A 60 60 SER CB C 60 65.880 64.917 0.963 1
1 631 . 2 1 1 A 60 60 SER C C 60 172.353 172.374 -0.021 1
1 633 . 2 1 1 A 61 61 GLU N N 61 125.163 127.214 -2.051 1
1 634 . 2 1 1 A 61 61 GLU H H 61 8.894 8.738 0.156 1
1 635 . 2 1 1 A 61 61 GLU CA C 61 57.081 55.810 1.271 1
1 636 . 2 1 1 A 61 61 GLU HA H 61 3.545 3.910 -0.365 1
1 637 . 2 1 1 A 61 61 GLU CB C 61 30.675 29.230 1.445 1
1 641 . 2 1 1 A 61 61 GLU C C 61 176.353 175.140 1.213 1
1 644 . 2 1 1 A 62 62 LEU N N 62 129.563 128.754 0.809 1
1 645 . 2 1 1 A 62 62 LEU H H 62 8.800 8.840 -0.040 1
1 646 . 2 1 1 A 62 62 LEU CA C 62 56.462 55.817 0.645 1
1 647 . 2 1 1 A 62 62 LEU HA H 62 4.341 4.323 0.018 1
1 648 . 2 1 1 A 62 62 LEU CB C 62 44.020 42.780 1.240 1
1 660 . 2 1 1 A 62 62 LEU C C 62 176.662 176.603 0.059 1
1 662 . 2 1 1 A 63 63 GLU N N 63 117.143 117.999 -0.856 1
1 663 . 2 1 1 A 63 63 GLU H H 63 8.292 7.341 0.951 1
1 664 . 2 1 1 A 63 63 GLU CA C 63 53.777 53.080 0.697 1
1 665 . 2 1 1 A 63 63 GLU HA H 63 4.655 4.680 -0.025 1
1 666 . 2 1 1 A 63 63 GLU CB C 63 29.768 30.870 -1.102 1
1 670 . 2 1 1 A 63 63 GLU C C 63 172.058 176.203 -4.145 1
1 673 . 2 1 1 A 64 64 PRO CA C 64 65.767 64.335 1.432 1
1 674 . 2 1 1 A 64 64 PRO HA H 64 4.227 4.578 -0.351 1
1 675 . 2 1 1 A 64 64 PRO CB C 64 31.005 31.803 -0.798 1
1 681 . 2 1 1 A 64 64 PRO C C 64 177.068 176.999 0.069 1
1 685 . 2 1 1 A 65 65 ASP N N 65 118.425 115.893 2.532 1
1 686 . 2 1 1 A 65 65 ASP H H 65 8.965 8.562 0.403 1
1 687 . 2 1 1 A 65 65 ASP CA C 65 55.827 53.498 2.329 1
1 688 . 2 1 1 A 65 65 ASP HA H 65 4.589 4.976 -0.387 1
1 689 . 2 1 1 A 65 65 ASP CB C 65 43.713 42.149 1.564 1
1 691 . 2 1 1 A 65 65 ASP C C 65 174.921 175.388 -0.467 1
1 693 . 2 1 1 A 66 66 LYS N N 66 120.940 120.424 0.516 1
1 694 . 2 1 1 A 66 66 LYS H H 66 8.476 7.560 0.916 1
1 695 . 2 1 1 A 66 66 LYS CA C 66 55.938 55.698 0.240 1
1 696 . 2 1 1 A 66 66 LYS HA H 66 5.476 5.285 0.191 1
1 697 . 2 1 1 A 66 66 LYS CB C 66 36.812 36.235 0.577 1
1 705 . 2 1 1 A 66 66 LYS C C 66 173.912 174.154 -0.242 1
1 710 . 2 1 1 A 67 67 TYR N N 67 126.047 123.418 2.629 1
1 711 . 2 1 1 A 67 67 TYR H H 67 9.291 8.978 0.313 1
1 712 . 2 1 1 A 67 67 TYR CA C 67 56.589 56.588 0.001 1
1 713 . 2 1 1 A 67 67 TYR HA H 67 5.136 5.273 -0.137 1
1 714 . 2 1 1 A 67 67 TYR CB C 67 41.933 43.353 -1.420 1
1 724 . 2 1 1 A 67 67 TYR C C 67 174.424 174.433 -0.009 1
1 726 . 2 1 1 A 68 68 ALA N N 68 123.234 124.181 -0.947 1
1 727 . 2 1 1 A 68 68 ALA H H 68 9.393 8.633 0.760 1
1 728 . 2 1 1 A 68 68 ALA CA C 68 50.620 50.715 -0.095 1
1 729 . 2 1 1 A 68 68 ALA HA H 68 5.002 4.976 0.026 1
1 730 . 2 1 1 A 68 68 ALA CB C 68 21.211 20.122 1.089 1
1 734 . 2 1 1 A 68 68 ALA C C 68 176.258 175.304 0.954 1
1 735 . 2 1 1 A 69 69 VAL N N 69 121.910 123.562 -1.652 1
1 736 . 2 1 1 A 69 69 VAL H H 69 8.412 8.505 -0.093 1
1 737 . 2 1 1 A 69 69 VAL CA C 69 61.147 61.440 -0.293 1
1 738 . 2 1 1 A 69 69 VAL HA H 69 4.587 4.706 -0.119 1
1 739 . 2 1 1 A 69 69 VAL CB C 69 32.409 31.861 0.548 1
1 749 . 2 1 1 A 69 69 VAL C C 69 174.300 174.561 -0.261 1
1 750 . 2 1 1 A 70 70 ARG N N 70 125.218 129.359 -4.141 1
1 751 . 2 1 1 A 70 70 ARG H H 70 8.926 9.096 -0.170 1
1 752 . 2 1 1 A 70 70 ARG CA C 70 54.404 55.013 -0.609 1
1 753 . 2 1 1 A 70 70 ARG HA H 70 5.665 4.994 0.671 1
1 754 . 2 1 1 A 70 70 ARG CB C 70 34.966 31.808 3.158 1
1 760 . 2 1 1 A 70 70 ARG C C 70 175.124 175.348 -0.224 1
1 764 . 2 1 1 A 71 71 PHE N N 71 120.657 120.251 0.406 1
1 765 . 2 1 1 A 71 71 PHE H H 71 8.780 8.898 -0.118 1
1 766 . 2 1 1 A 71 71 PHE CA C 71 55.969 56.184 -0.215 1
1 767 . 2 1 1 A 71 71 PHE HA H 71 5.082 5.195 -0.113 1
1 768 . 2 1 1 A 71 71 PHE CB C 71 41.335 41.214 0.121 1
1 780 . 2 1 1 A 71 71 PHE C C 71 171.920 172.154 -0.234 1
1 782 . 2 1 1 A 72 72 ILE N N 72 120.347 121.865 -1.518 1
1 783 . 2 1 1 A 72 72 ILE H H 72 8.714 9.036 -0.322 1
1 784 . 2 1 1 A 72 72 ILE CA C 72 57.669 58.040 -0.371 1
1 785 . 2 1 1 A 72 72 ILE HA H 72 4.469 4.573 -0.104 1
1 786 . 2 1 1 A 72 72 ILE CB C 72 39.824 38.525 1.299 1
1 798 . 2 1 1 A 72 72 ILE C C 72 173.612 175.039 -1.427 1
1 800 . 2 1 1 A 73 73 PRO CA C 73 62.050 62.365 -0.315 1
1 801 . 2 1 1 A 73 73 PRO HA H 73 4.493 4.901 -0.408 1
1 802 . 2 1 1 A 73 73 PRO CB C 73 33.680 29.230 4.450 1
1 808 . 2 1 1 A 73 73 PRO C C 73 176.990 175.534 1.456 1
1 812 . 2 1 1 A 74 74 HIS N N 74 119.655 117.599 2.056 1
1 813 . 2 1 1 A 74 74 HIS H H 74 10.240 8.735 1.505 1
1 814 . 2 1 1 A 74 74 HIS CA C 74 54.660 53.779 0.881 1
1 815 . 2 1 1 A 74 74 HIS HA H 74 5.035 5.668 -0.633 1
1 816 . 2 1 1 A 74 74 HIS CB C 74 30.530 31.644 -1.114 1
1 822 . 2 1 1 A 74 74 HIS C C 74 173.624 173.765 -0.141 1
1 824 . 2 1 1 A 75 75 GLU N N 75 118.178 123.579 -5.401 1
1 825 . 2 1 1 A 75 75 GLU H H 75 7.772 8.937 -1.165 1
1 826 . 2 1 1 A 75 75 GLU CA C 75 54.166 54.856 -0.690 1
1 827 . 2 1 1 A 75 75 GLU HA H 75 4.654 4.601 0.053 1
1 828 . 2 1 1 A 75 75 GLU CB C 75 33.422 32.802 0.620 1
1 832 . 2 1 1 A 75 75 GLU C C 75 173.599 175.113 -1.514 1
1 835 . 2 1 1 A 76 76 ASN N N 76 116.760 120.928 -4.168 1
1 836 . 2 1 1 A 76 76 ASN H H 76 8.530 8.609 -0.079 1
1 837 . 2 1 1 A 76 76 ASN CA C 76 53.486 52.129 1.357 1
1 838 . 2 1 1 A 76 76 ASN HA H 76 4.606 5.021 -0.415 1
1 839 . 2 1 1 A 76 76 ASN CB C 76 40.184 39.194 0.990 1
1 844 . 2 1 1 A 76 76 ASN C C 76 175.598 175.084 0.514 1
1 846 . 2 1 1 A 77 77 GLY N N 77 106.497 108.056 -1.559 1
1 847 . 2 1 1 A 77 77 GLY H H 77 9.152 7.585 1.567 1
1 848 . 2 1 1 A 77 77 GLY CA C 77 43.752 45.906 -2.154 1
1 849 . 2 1 1 A 77 77 GLY HA3 H 77 4.797 4.114 0.683 1
1 850 . 2 1 1 A 77 77 GLY C C 77 176.329 172.370 3.959 1
1 851 . 2 1 1 A 77 77 GLY HA2 H 77 3.897 4.086 -0.189 1
1 852 . 2 1 1 A 78 78 VAL N N 78 124.582 121.774 2.808 1
1 853 . 2 1 1 A 78 78 VAL H H 78 9.334 8.261 1.073 1
1 854 . 2 1 1 A 78 78 VAL CA C 78 64.642 60.423 4.219 1
1 855 . 2 1 1 A 78 78 VAL HA H 78 4.399 5.038 -0.639 1
1 856 . 2 1 1 A 78 78 VAL CB C 78 31.464 34.532 -3.068 1
1 866 . 2 1 1 A 78 78 VAL C C 78 176.269 174.585 1.684 1
1 867 . 2 1 1 A 79 79 HIS N N 79 129.160 124.865 4.295 1
1 868 . 2 1 1 A 79 79 HIS H H 79 9.854 9.023 0.831 1
1 869 . 2 1 1 A 79 79 HIS CA C 79 55.150 54.048 1.102 1
1 870 . 2 1 1 A 79 79 HIS HA H 79 4.921 5.502 -0.581 1
1 871 . 2 1 1 A 79 79 HIS CB C 79 30.772 32.897 -2.125 1
1 877 . 2 1 1 A 79 79 HIS C C 79 174.062 174.704 -0.642 1
1 879 . 2 1 1 A 80 80 THR N N 80 116.006 114.530 1.476 1
1 880 . 2 1 1 A 80 80 THR H H 80 8.526 8.789 -0.263 1
1 881 . 2 1 1 A 80 80 THR CA C 80 60.983 61.765 -0.782 1
1 882 . 2 1 1 A 80 80 THR HA H 80 5.380 5.271 0.109 1
1 883 . 2 1 1 A 80 80 THR CB C 80 70.590 71.547 -0.957 1
1 889 . 2 1 1 A 80 80 THR C C 80 173.671 173.246 0.425 1
1 890 . 2 1 1 A 81 81 ILE N N 81 127.414 128.979 -1.565 1
1 891 . 2 1 1 A 81 81 ILE H H 81 9.745 9.364 0.381 1
1 892 . 2 1 1 A 81 81 ILE CA C 81 60.037 60.280 -0.243 1
1 893 . 2 1 1 A 81 81 ILE HA H 81 4.867 4.786 0.081 1
1 894 . 2 1 1 A 81 81 ILE CB C 81 39.883 38.999 0.884 1
1 906 . 2 1 1 A 81 81 ILE C C 81 175.279 174.254 1.025 1
1 908 . 2 1 1 A 82 82 ASP N N 82 128.375 128.404 -0.029 1
1 909 . 2 1 1 A 82 82 ASP H H 82 9.157 9.080 0.077 1
1 910 . 2 1 1 A 82 82 ASP CA C 82 53.084 53.827 -0.743 1
1 911 . 2 1 1 A 82 82 ASP HA H 82 5.060 5.174 -0.114 1
1 912 . 2 1 1 A 82 82 ASP CB C 82 42.929 41.713 1.216 1
1 914 . 2 1 1 A 82 82 ASP C C 82 175.923 175.269 0.654 1
1 916 . 2 1 1 A 83 83 VAL N N 83 125.651 126.321 -0.670 1
1 917 . 2 1 1 A 83 83 VAL H H 83 9.897 9.253 0.644 1
1 918 . 2 1 1 A 83 83 VAL CA C 83 62.407 61.748 0.659 1
1 919 . 2 1 1 A 83 83 VAL HA H 83 4.553 5.027 -0.474 1
1 920 . 2 1 1 A 83 83 VAL CB C 83 33.233 32.928 0.305 1
1 930 . 2 1 1 A 83 83 VAL C C 83 173.327 175.066 -1.739 1
1 931 . 2 1 1 A 84 84 LYS N N 84 124.405 127.551 -3.146 1
1 932 . 2 1 1 A 84 84 LYS H H 84 8.874 8.967 -0.093 1
1 933 . 2 1 1 A 84 84 LYS CA C 84 53.901 54.868 -0.967 1
1 934 . 2 1 1 A 84 84 LYS HA H 84 5.065 4.883 0.182 1
1 935 . 2 1 1 A 84 84 LYS CB C 84 36.851 34.653 2.198 1
1 943 . 2 1 1 A 84 84 LYS C C 84 174.760 174.116 0.644 1
1 948 . 2 1 1 A 85 85 PHE N N 85 120.871 126.027 -5.156 1
1 949 . 2 1 1 A 85 85 PHE H H 85 9.167 9.128 0.039 1
1 950 . 2 1 1 A 85 85 PHE CA C 85 56.014 57.377 -1.363 1
1 951 . 2 1 1 A 85 85 PHE HA H 85 5.157 4.908 0.249 1
1 952 . 2 1 1 A 85 85 PHE CB C 85 42.916 41.291 1.625 1
1 964 . 2 1 1 A 85 85 PHE C C 85 175.473 175.140 0.333 1
1 966 . 2 1 1 A 86 86 ASN N N 86 126.732 125.255 1.477 1
1 967 . 2 1 1 A 86 86 ASN H H 86 8.714 8.731 -0.017 1
1 968 . 2 1 1 A 86 86 ASN CA C 86 53.835 53.888 -0.053 1
1 969 . 2 1 1 A 86 86 ASN HA H 86 4.216 4.228 -0.012 1
1 970 . 2 1 1 A 86 86 ASN CB C 86 36.789 37.195 -0.406 1
1 975 . 2 1 1 A 86 86 ASN C C 86 175.700 174.636 1.064 1
1 977 . 2 1 1 A 87 87 GLY N N 87 102.449 105.074 -2.625 1
1 978 . 2 1 1 A 87 87 GLY H H 87 8.986 8.591 0.395 1
1 979 . 2 1 1 A 87 87 GLY CA C 87 45.490 46.406 -0.916 1
1 980 . 2 1 1 A 87 87 GLY HA3 H 87 4.223 3.891 0.332 1
1 981 . 2 1 1 A 87 87 GLY C C 87 174.149 173.514 0.635 1
1 982 . 2 1 1 A 87 87 GLY HA2 H 87 3.555 3.869 -0.314 1
1 983 . 2 1 1 A 88 88 SER N N 88 116.260 113.963 2.297 1
1 984 . 2 1 1 A 88 88 SER H H 88 7.670 7.667 0.003 1
1 985 . 2 1 1 A 88 88 SER CA C 88 57.194 57.477 -0.283 1
1 986 . 2 1 1 A 88 88 SER HA H 88 4.935 4.717 0.218 1
1 987 . 2 1 1 A 88 88 SER CB C 88 65.421 66.290 -0.869 1
1 989 . 2 1 1 A 88 88 SER C C 88 173.491 173.026 0.465 1
1 991 . 2 1 1 A 89 89 HIS N N 89 124.290 126.105 -1.815 1
1 992 . 2 1 1 A 89 89 HIS H H 89 8.847 8.755 0.092 1
1 993 . 2 1 1 A 89 89 HIS CA C 89 59.048 56.142 2.906 1
1 994 . 2 1 1 A 89 89 HIS HA H 89 4.543 4.602 -0.059 1
1 995 . 2 1 1 A 89 89 HIS CB C 89 32.463 28.711 3.752 1
1 1001 . 2 1 1 A 89 89 HIS C C 89 177.441 175.182 2.259 1
1 1003 . 2 1 1 A 90 90 VAL N N 90 116.253 123.163 -6.910 1
1 1004 . 2 1 1 A 90 90 VAL H H 90 8.283 8.156 0.127 1
1 1005 . 2 1 1 A 90 90 VAL CA C 90 60.279 62.346 -2.067 1
1 1006 . 2 1 1 A 90 90 VAL HA H 90 4.291 3.948 0.343 1
1 1007 . 2 1 1 A 90 90 VAL CB C 90 31.601 32.038 -0.437 1
1 1017 . 2 1 1 A 90 90 VAL C C 90 176.074 175.611 0.463 1
1 1018 . 2 1 1 A 91 91 VAL N N 91 123.139 124.428 -1.289 1
1 1019 . 2 1 1 A 91 91 VAL H H 91 8.910 8.500 0.410 1
1 1020 . 2 1 1 A 91 91 VAL CA C 91 66.030 63.638 2.392 1
1 1021 . 2 1 1 A 91 91 VAL HA H 91 3.632 3.788 -0.156 1
1 1022 . 2 1 1 A 91 91 VAL CB C 91 30.897 31.410 -0.513 1
1 1032 . 2 1 1 A 91 91 VAL C C 91 177.012 177.111 -0.099 1
1 1033 . 2 1 1 A 92 92 GLY N N 92 116.727 116.405 0.322 1
1 1034 . 2 1 1 A 92 92 GLY H H 92 8.396 8.711 -0.315 1
1 1035 . 2 1 1 A 92 92 GLY CA C 92 44.466 46.271 -1.805 1
1 1036 . 2 1 1 A 92 92 GLY HA3 H 92 4.180 3.688 0.492 1
1 1037 . 2 1 1 A 92 92 GLY C C 92 172.077 172.948 -0.871 1
1 1038 . 2 1 1 A 92 92 GLY HA2 H 92 3.221 3.683 -0.462 1
1 1039 . 2 1 1 A 93 93 SER N N 93 112.885 114.665 -1.780 1
1 1040 . 2 1 1 A 93 93 SER H H 93 7.484 7.419 0.065 1
1 1041 . 2 1 1 A 93 93 SER CA C 93 54.547 54.578 -0.031 1
1 1042 . 2 1 1 A 93 93 SER HA H 93 4.065 4.316 -0.251 1
1 1043 . 2 1 1 A 93 93 SER CB C 93 62.575 65.810 -3.235 1
1 1045 . 2 1 1 A 93 93 SER C C 93 174.608 171.977 2.631 1
1 1047 . 2 1 1 A 94 94 PRO CA C 94 62.477 62.173 0.304 1
1 1048 . 2 1 1 A 94 94 PRO HA H 94 5.491 4.494 0.997 1
1 1049 . 2 1 1 A 94 94 PRO CB C 94 34.106 32.748 1.358 1
1 1055 . 2 1 1 A 94 94 PRO C C 94 176.779 175.112 1.667 1
1 1059 . 2 1 1 A 95 95 PHE N N 95 123.133 119.378 3.755 1
1 1060 . 2 1 1 A 95 95 PHE H H 95 9.200 8.586 0.614 1
1 1061 . 2 1 1 A 95 95 PHE CA C 95 57.291 57.067 0.224 1
1 1062 . 2 1 1 A 95 95 PHE HA H 95 4.581 4.939 -0.358 1
1 1063 . 2 1 1 A 95 95 PHE CB C 95 41.165 41.994 -0.829 1
1 1075 . 2 1 1 A 95 95 PHE C C 95 175.687 174.595 1.092 1
1 1077 . 2 1 1 A 96 96 LYS N N 96 122.134 118.558 3.576 1
1 1078 . 2 1 1 A 96 96 LYS H H 96 8.790 9.010 -0.220 1
1 1079 . 2 1 1 A 96 96 LYS CA C 96 55.249 54.580 0.669 1
1 1080 . 2 1 1 A 96 96 LYS HA H 96 5.276 5.260 0.016 1
1 1081 . 2 1 1 A 96 96 LYS CB C 96 33.836 35.924 -2.088 1
1 1089 . 2 1 1 A 96 96 LYS C C 96 176.515 175.389 1.126 1
1 1094 . 2 1 1 A 97 97 VAL N N 97 117.706 118.271 -0.565 1
1 1095 . 2 1 1 A 97 97 VAL H H 97 8.873 8.551 0.322 1
1 1096 . 2 1 1 A 97 97 VAL CA C 97 59.188 59.525 -0.337 1
1 1097 . 2 1 1 A 97 97 VAL HA H 97 4.917 4.785 0.132 1
1 1098 . 2 1 1 A 97 97 VAL CB C 97 35.185 35.683 -0.498 1
1 1108 . 2 1 1 A 97 97 VAL C C 97 173.801 173.799 0.002 1
1 1109 . 2 1 1 A 98 98 ARG N N 98 125.203 125.296 -0.093 1
1 1110 . 2 1 1 A 98 98 ARG H H 98 8.826 9.313 -0.487 1
1 1111 . 2 1 1 A 98 98 ARG CA C 98 56.337 55.047 1.290 1
1 1112 . 2 1 1 A 98 98 ARG HA H 98 4.610 5.077 -0.467 1
1 1113 . 2 1 1 A 98 98 ARG CB C 98 32.031 31.730 0.301 1
1 1119 . 2 1 1 A 98 98 ARG C C 98 174.438 174.674 -0.236 1
1 1123 . 2 1 1 A 99 99 VAL N N 99 127.382 125.166 2.216 1
1 1124 . 2 1 1 A 99 99 VAL H H 99 8.144 9.004 -0.860 1
1 1125 . 2 1 1 A 99 99 VAL CA C 99 61.216 59.775 1.441 1
1 1126 . 2 1 1 A 99 99 VAL HA H 99 4.115 4.897 -0.782 1
1 1127 . 2 1 1 A 99 99 VAL CB C 99 32.590 34.534 -1.944 1
1 1137 . 2 1 1 A 99 99 VAL C C 99 176.994 174.721 2.273 1
1 1138 . 2 1 1 A 100 100 GLY N N 100 117.424 113.171 4.253 1
1 1139 . 2 1 1 A 100 100 GLY H H 100 8.682 8.480 0.202 1
1 1140 . 2 1 1 A 100 100 GLY CA C 100 44.650 45.173 -0.523 1
1 1141 . 2 1 1 A 100 100 GLY HA3 H 100 4.386 4.139 0.247 1
1 1142 . 2 1 1 A 100 100 GLY C C 100 173.180 172.619 0.561 1
1 1143 . 2 1 1 A 100 100 GLY HA2 H 100 3.954 4.139 -0.185 1
1 1144 . 2 1 1 A 101 101 GLU N N 101 119.495 117.677 1.818 1
1 1145 . 2 1 1 A 101 101 GLU H H 101 8.383 8.514 -0.131 1
1 1146 . 2 1 1 A 101 101 GLU CA C 101 54.168 53.998 0.170 1
1 1147 . 2 1 1 A 101 101 GLU HA H 101 4.661 4.850 -0.189 1
1 1148 . 2 1 1 A 101 101 GLU CB C 101 29.836 30.943 -1.107 1
1 1152 . 2 1 1 A 101 101 GLU C C 101 175.458 177.043 -1.585 1
1 1155 . 2 1 1 A 102 102 PRO CA C 102 63.897 63.663 0.234 1
1 1156 . 2 1 1 A 102 102 PRO HA H 102 4.361 4.402 -0.041 1
1 1157 . 2 1 1 A 102 102 PRO CB C 102 31.946 32.046 -0.100 1
1 1163 . 2 1 1 A 102 102 PRO C C 102 177.509 177.240 0.269 1
1 1167 . 2 1 1 A 103 103 GLY N N 103 109.378 110.197 -0.819 1
1 1168 . 2 1 1 A 103 103 GLY H H 103 8.552 8.220 0.332 1
1 1169 . 2 1 1 A 103 103 GLY CA C 103 45.263 45.129 0.134 1
1 1170 . 2 1 1 A 103 103 GLY HA3 H 103 3.962 4.002 -0.040 1
1 1171 . 2 1 1 A 103 103 GLY C C 103 174.277 174.140 0.137 1
1 1172 . 2 1 1 A 103 103 GLY HA2 H 103 3.962 4.001 -0.039 1
1 1173 . 2 1 1 A 104 104 GLN N N 104 119.735 120.939 -1.204 1
1 1174 . 2 1 1 A 104 104 GLN H H 104 8.096 8.893 -0.797 1
1 1175 . 2 1 1 A 104 104 GLN CA C 104 55.924 56.803 -0.879 1
1 1176 . 2 1 1 A 104 104 GLN HA H 104 4.339 4.045 0.294 1
1 1177 . 2 1 1 A 104 104 GLN CB C 104 29.622 28.051 1.571 1
1 1184 . 2 1 1 A 104 104 GLN C C 104 175.669 176.381 -0.712 1
1 1187 . 2 1 1 A 105 105 ALA N N 105 125.603 121.303 4.300 1
1 1188 . 2 1 1 A 105 105 ALA H H 105 8.389 8.048 0.341 1
1 1189 . 2 1 1 A 105 105 ALA CA C 105 52.416 54.451 -2.035 1
1 1190 . 2 1 1 A 105 105 ALA HA H 105 4.385 4.062 0.323 1
1 1191 . 2 1 1 A 105 105 ALA CB C 105 19.608 19.765 -0.157 1
1 1195 . 2 1 1 A 105 105 ALA C C 105 176.971 177.708 -0.737 1
1 1 . 3 1 1 A 8 8 SER CA C 8 59.066 58.338 0.728 1
1 2 . 3 1 1 A 8 8 SER HA H 8 4.444 4.501 -0.057 1
1 3 . 3 1 1 A 8 8 SER CB C 8 63.749 63.784 -0.035 1
1 5 . 3 1 1 A 8 8 SER C C 8 174.832 174.096 0.736 1
1 7 . 3 1 1 A 9 9 ASP N N 9 122.244 121.863 0.381 1
1 8 . 3 1 1 A 9 9 ASP H H 9 8.460 8.577 -0.117 1
1 9 . 3 1 1 A 9 9 ASP CA C 9 54.943 53.995 0.948 1
1 10 . 3 1 1 A 9 9 ASP HA H 9 4.730 4.651 0.079 1
1 11 . 3 1 1 A 9 9 ASP CB C 9 41.125 41.330 -0.205 1
1 13 . 3 1 1 A 9 9 ASP C C 9 176.845 175.816 1.029 1
1 15 . 3 1 1 A 10 10 ASP N N 10 120.929 121.229 -0.300 1
1 16 . 3 1 1 A 10 10 ASP H H 10 8.121 8.862 -0.741 1
1 17 . 3 1 1 A 10 10 ASP CA C 10 55.841 52.711 3.130 1
1 18 . 3 1 1 A 10 10 ASP HA H 10 4.523 4.930 -0.407 1
1 19 . 3 1 1 A 10 10 ASP CB C 10 41.834 39.895 1.939 1
1 21 . 3 1 1 A 10 10 ASP C C 10 177.047 176.004 1.043 1
1 23 . 3 1 1 A 11 11 ALA N N 11 122.815 124.713 -1.898 1
1 24 . 3 1 1 A 11 11 ALA H H 11 8.520 8.458 0.062 1
1 25 . 3 1 1 A 11 11 ALA CA C 11 54.828 54.652 0.176 1
1 26 . 3 1 1 A 11 11 ALA HA H 11 4.004 3.735 0.269 1
1 27 . 3 1 1 A 11 11 ALA CB C 11 19.454 18.358 1.096 1
1 31 . 3 1 1 A 11 11 ALA C C 11 179.280 179.168 0.112 1
1 32 . 3 1 1 A 12 12 ARG N N 12 115.782 116.219 -0.437 1
1 33 . 3 1 1 A 12 12 ARG H H 12 8.159 8.229 -0.070 1
1 34 . 3 1 1 A 12 12 ARG CA C 12 57.578 57.737 -0.159 1
1 35 . 3 1 1 A 12 12 ARG HA H 12 4.310 4.135 0.175 1
1 36 . 3 1 1 A 12 12 ARG CB C 12 29.817 29.608 0.209 1
1 42 . 3 1 1 A 12 12 ARG C C 12 176.412 176.749 -0.337 1
1 46 . 3 1 1 A 13 13 ARG N N 13 117.438 118.333 -0.895 1
1 47 . 3 1 1 A 13 13 ARG H H 13 7.858 7.544 0.314 1
1 48 . 3 1 1 A 13 13 ARG CA C 13 56.855 55.383 1.472 1
1 49 . 3 1 1 A 13 13 ARG HA H 13 4.183 4.375 -0.192 1
1 50 . 3 1 1 A 13 13 ARG CB C 13 30.976 30.116 0.860 1
1 56 . 3 1 1 A 13 13 ARG C C 13 176.451 174.732 1.719 1
1 60 . 3 1 1 A 14 14 LEU N N 14 121.077 120.961 0.116 1
1 61 . 3 1 1 A 14 14 LEU H H 14 6.925 7.505 -0.580 1
1 62 . 3 1 1 A 14 14 LEU CA C 14 56.582 53.130 3.452 1
1 63 . 3 1 1 A 14 14 LEU HA H 14 4.394 4.871 -0.477 1
1 64 . 3 1 1 A 14 14 LEU CB C 14 42.968 46.132 -3.164 1
1 76 . 3 1 1 A 14 14 LEU C C 14 177.296 175.946 1.350 1
1 78 . 3 1 1 A 15 15 THR N N 15 115.028 117.630 -2.602 1
1 79 . 3 1 1 A 15 15 THR H H 15 8.716 8.666 0.050 1
1 80 . 3 1 1 A 15 15 THR CA C 15 61.169 61.688 -0.519 1
1 81 . 3 1 1 A 15 15 THR HA H 15 4.667 4.866 -0.199 1
1 82 . 3 1 1 A 15 15 THR CB C 15 71.348 71.763 -0.415 1
1 88 . 3 1 1 A 15 15 THR C C 15 173.454 172.852 0.602 1
1 89 . 3 1 1 A 16 16 VAL N N 16 126.736 128.368 -1.632 1
1 90 . 3 1 1 A 16 16 VAL H H 16 8.727 8.917 -0.190 1
1 91 . 3 1 1 A 16 16 VAL CA C 16 62.600 62.281 0.319 1
1 92 . 3 1 1 A 16 16 VAL HA H 16 4.539 4.502 0.037 1
1 93 . 3 1 1 A 16 16 VAL CB C 16 32.521 31.215 1.306 1
1 103 . 3 1 1 A 16 16 VAL C C 16 175.348 175.388 -0.040 1
1 104 . 3 1 1 A 17 17 MET N N 17 126.444 126.302 0.142 1
1 105 . 3 1 1 A 17 17 MET H H 17 9.255 8.767 0.488 1
1 106 . 3 1 1 A 17 17 MET CA C 17 54.872 54.339 0.533 1
1 107 . 3 1 1 A 17 17 MET HA H 17 4.806 4.769 0.037 1
1 108 . 3 1 1 A 17 17 MET CB C 17 35.443 34.656 0.787 1
1 116 . 3 1 1 A 17 17 MET C C 17 174.681 175.744 -1.063 1
1 119 . 3 1 1 A 18 18 SER N N 18 112.443 112.500 -0.057 1
1 120 . 3 1 1 A 18 18 SER H H 18 8.568 8.571 -0.003 1
1 121 . 3 1 1 A 18 18 SER CA C 18 58.711 58.698 0.013 1
1 122 . 3 1 1 A 18 18 SER HA H 18 4.018 3.997 0.021 1
1 123 . 3 1 1 A 18 18 SER CB C 18 62.009 62.081 -0.072 1
1 125 . 3 1 1 A 18 18 SER C C 18 173.373 172.928 0.445 1
1 127 . 3 1 1 A 19 19 LEU N N 19 122.011 120.793 1.218 1
1 128 . 3 1 1 A 19 19 LEU H H 19 7.996 7.698 0.298 1
1 129 . 3 1 1 A 19 19 LEU CA C 19 54.978 53.374 1.604 1
1 130 . 3 1 1 A 19 19 LEU HA H 19 4.283 4.907 -0.624 1
1 131 . 3 1 1 A 19 19 LEU CB C 19 41.955 45.112 -3.157 1
1 143 . 3 1 1 A 19 19 LEU C C 19 176.135 174.607 1.528 1
1 145 . 3 1 1 A 20 20 GLN N N 20 127.739 126.340 1.399 1
1 146 . 3 1 1 A 20 20 GLN H H 20 8.669 8.733 -0.064 1
1 147 . 3 1 1 A 20 20 GLN CA C 20 55.617 55.039 0.578 1
1 148 . 3 1 1 A 20 20 GLN HA H 20 4.400 4.897 -0.497 1
1 149 . 3 1 1 A 20 20 GLN CB C 20 29.298 30.911 -1.613 1
1 156 . 3 1 1 A 20 20 GLN C C 20 175.033 174.929 0.104 1
1 159 . 3 1 1 A 21 21 GLU N N 21 121.152 123.544 -2.392 1
1 160 . 3 1 1 A 21 21 GLU H H 21 8.546 9.144 -0.598 1
1 161 . 3 1 1 A 21 21 GLU CA C 21 57.598 57.719 -0.121 1
1 162 . 3 1 1 A 21 21 GLU HA H 21 4.310 4.518 -0.208 1
1 163 . 3 1 1 A 21 21 GLU CB C 21 30.764 30.922 -0.158 1
1 167 . 3 1 1 A 21 21 GLU C C 21 176.581 177.521 -0.940 1
1 170 . 3 1 1 A 22 22 SER N N 22 113.328 110.487 2.841 1
1 171 . 3 1 1 A 22 22 SER H H 22 8.018 7.984 0.034 1
1 172 . 3 1 1 A 22 22 SER CA C 22 57.682 56.937 0.745 1
1 173 . 3 1 1 A 22 22 SER HA H 22 4.997 5.016 -0.019 1
1 174 . 3 1 1 A 22 22 SER CB C 22 64.489 62.894 1.595 1
1 176 . 3 1 1 A 22 22 SER C C 22 174.062 175.474 -1.412 1
1 178 . 3 1 1 A 23 23 GLY N N 23 109.317 110.436 -1.119 1
1 179 . 3 1 1 A 23 23 GLY H H 23 8.828 7.913 0.915 1
1 180 . 3 1 1 A 23 23 GLY CA C 23 45.609 45.244 0.365 1
1 181 . 3 1 1 A 23 23 GLY HA3 H 23 4.116 4.028 0.088 1
1 182 . 3 1 1 A 23 23 GLY C C 23 174.629 174.383 0.246 1
1 183 . 3 1 1 A 23 23 GLY HA2 H 23 3.832 4.027 -0.195 1
1 184 . 3 1 1 A 24 24 LEU N N 24 120.545 121.159 -0.614 1
1 185 . 3 1 1 A 24 24 LEU H H 24 7.559 7.195 0.364 1
1 186 . 3 1 1 A 24 24 LEU CA C 24 55.569 55.608 -0.039 1
1 187 . 3 1 1 A 24 24 LEU HA H 24 4.310 4.500 -0.190 1
1 188 . 3 1 1 A 24 24 LEU CB C 24 42.978 42.382 0.596 1
1 200 . 3 1 1 A 24 24 LEU C C 24 176.704 176.086 0.618 1
1 202 . 3 1 1 A 25 25 LYS N N 25 122.188 122.665 -0.477 1
1 203 . 3 1 1 A 25 25 LYS H H 25 8.828 8.648 0.180 1
1 204 . 3 1 1 A 25 25 LYS CA C 25 54.686 54.732 -0.046 1
1 205 . 3 1 1 A 25 25 LYS HA H 25 4.676 4.838 -0.162 1
1 206 . 3 1 1 A 25 25 LYS CB C 25 35.736 35.632 0.104 1
1 214 . 3 1 1 A 25 25 LYS C C 25 175.885 176.414 -0.529 1
1 219 . 3 1 1 A 26 26 VAL N N 26 121.689 123.282 -1.593 1
1 220 . 3 1 1 A 26 26 VAL H H 26 8.503 8.578 -0.075 1
1 221 . 3 1 1 A 26 26 VAL CA C 26 64.069 62.289 1.780 1
1 222 . 3 1 1 A 26 26 VAL HA H 26 3.218 4.092 -0.874 1
1 223 . 3 1 1 A 26 26 VAL CB C 26 31.636 32.421 -0.785 1
1 233 . 3 1 1 A 26 26 VAL C C 26 175.837 175.689 0.148 1
1 234 . 3 1 1 A 27 27 ASN N N 27 116.772 118.708 -1.936 1
1 235 . 3 1 1 A 27 27 ASN H H 27 8.682 8.953 -0.271 1
1 236 . 3 1 1 A 27 27 ASN CA C 27 55.183 54.326 0.857 1
1 237 . 3 1 1 A 27 27 ASN HA H 27 4.138 4.332 -0.194 1
1 238 . 3 1 1 A 27 27 ASN CB C 27 37.242 37.302 -0.060 1
1 243 . 3 1 1 A 27 27 ASN C C 27 173.308 173.619 -0.311 1
1 245 . 3 1 1 A 28 28 GLN N N 28 118.793 116.944 1.849 1
1 246 . 3 1 1 A 28 28 GLN H H 28 7.544 7.650 -0.106 1
1 247 . 3 1 1 A 28 28 GLN CA C 28 52.212 52.666 -0.454 1
1 248 . 3 1 1 A 28 28 GLN HA H 28 4.893 4.699 0.194 1
1 249 . 3 1 1 A 28 28 GLN CB C 28 30.060 31.952 -1.892 1
1 256 . 3 1 1 A 28 28 GLN C C 28 173.078 173.121 -0.043 1
1 259 . 3 1 1 A 29 29 PRO CA C 29 63.563 62.893 0.670 1
1 260 . 3 1 1 A 29 29 PRO HA H 29 4.294 4.660 -0.366 1
1 261 . 3 1 1 A 29 29 PRO CB C 29 31.874 31.643 0.231 1
1 267 . 3 1 1 A 29 29 PRO C C 29 175.250 175.890 -0.640 1
1 271 . 3 1 1 A 30 30 ALA N N 30 128.803 126.450 2.353 1
1 272 . 3 1 1 A 30 30 ALA H H 30 8.887 8.071 0.816 1
1 273 . 3 1 1 A 30 30 ALA CA C 30 50.558 50.594 -0.036 1
1 274 . 3 1 1 A 30 30 ALA HA H 30 4.539 4.957 -0.418 1
1 275 . 3 1 1 A 30 30 ALA CB C 30 21.602 21.978 -0.376 1
1 279 . 3 1 1 A 30 30 ALA C C 30 175.510 175.554 -0.044 1
1 280 . 3 1 1 A 31 31 SER N N 31 112.512 116.202 -3.690 1
1 281 . 3 1 1 A 31 31 SER H H 31 8.214 8.854 -0.640 1
1 282 . 3 1 1 A 31 31 SER CA C 31 56.701 56.730 -0.029 1
1 283 . 3 1 1 A 31 31 SER HA H 31 5.832 5.498 0.334 1
1 284 . 3 1 1 A 31 31 SER CB C 31 66.721 65.738 0.983 1
1 286 . 3 1 1 A 31 31 SER C C 31 173.379 172.482 0.897 1
1 288 . 3 1 1 A 32 32 PHE N N 32 119.232 118.669 0.563 1
1 289 . 3 1 1 A 32 32 PHE H H 32 8.798 8.225 0.573 1
1 290 . 3 1 1 A 32 32 PHE CA C 32 56.218 55.789 0.429 1
1 291 . 3 1 1 A 32 32 PHE HA H 32 4.925 5.496 -0.571 1
1 292 . 3 1 1 A 32 32 PHE CB C 32 39.752 42.217 -2.465 1
1 304 . 3 1 1 A 32 32 PHE C C 32 172.709 172.209 0.500 1
1 306 . 3 1 1 A 33 33 ALA N N 33 122.788 122.028 0.760 1
1 307 . 3 1 1 A 33 33 ALA H H 33 8.827 8.472 0.355 1
1 308 . 3 1 1 A 33 33 ALA CA C 33 50.616 50.140 0.476 1
1 309 . 3 1 1 A 33 33 ALA HA H 33 5.654 5.488 0.166 1
1 310 . 3 1 1 A 33 33 ALA CB C 33 22.616 21.264 1.352 1
1 314 . 3 1 1 A 33 33 ALA C C 33 175.770 175.797 -0.027 1
1 315 . 3 1 1 A 34 34 ILE N N 34 118.542 123.517 -4.975 1
1 316 . 3 1 1 A 34 34 ILE H H 34 9.194 9.000 0.194 1
1 317 . 3 1 1 A 34 34 ILE CA C 34 59.486 60.667 -1.181 1
1 318 . 3 1 1 A 34 34 ILE HA H 34 4.978 4.692 0.286 1
1 319 . 3 1 1 A 34 34 ILE CB C 34 42.577 38.985 3.592 1
1 331 . 3 1 1 A 34 34 ILE C C 34 174.924 174.746 0.178 1
1 333 . 3 1 1 A 35 35 ARG N N 35 126.774 128.704 -1.930 1
1 334 . 3 1 1 A 35 35 ARG H H 35 9.038 9.197 -0.159 1
1 335 . 3 1 1 A 35 35 ARG CA C 35 54.096 56.366 -2.270 1
1 336 . 3 1 1 A 35 35 ARG HA H 35 5.283 4.748 0.535 1
1 337 . 3 1 1 A 35 35 ARG CB C 35 32.039 31.052 0.987 1
1 343 . 3 1 1 A 35 35 ARG C C 35 175.959 175.216 0.743 1
1 347 . 3 1 1 A 36 36 LEU N N 36 123.887 127.780 -3.893 1
1 348 . 3 1 1 A 36 36 LEU H H 36 8.648 8.757 -0.109 1
1 349 . 3 1 1 A 36 36 LEU CA C 36 56.318 53.736 2.582 1
1 350 . 3 1 1 A 36 36 LEU HA H 36 4.037 4.827 -0.790 1
1 351 . 3 1 1 A 36 36 LEU CB C 36 41.028 42.778 -1.750 1
1 363 . 3 1 1 A 36 36 LEU C C 36 177.292 176.471 0.821 1
1 365 . 3 1 1 A 37 37 ASN N N 37 115.087 122.769 -7.682 1
1 366 . 3 1 1 A 37 37 ASN H H 37 8.594 8.617 -0.023 1
1 367 . 3 1 1 A 37 37 ASN CA C 37 54.182 53.015 1.167 1
1 368 . 3 1 1 A 37 37 ASN HA H 37 4.407 4.848 -0.441 1
1 369 . 3 1 1 A 37 37 ASN CB C 37 37.687 38.673 -0.986 1
1 374 . 3 1 1 A 37 37 ASN C C 37 176.277 175.643 0.634 1
1 376 . 3 1 1 A 38 38 GLY N N 38 106.329 107.662 -1.333 1
1 377 . 3 1 1 A 38 38 GLY H H 38 9.506 7.935 1.571 1
1 378 . 3 1 1 A 38 38 GLY CA C 38 45.290 45.565 -0.275 1
1 379 . 3 1 1 A 38 38 GLY HA3 H 38 4.156 4.030 0.126 1
1 380 . 3 1 1 A 38 38 GLY C C 38 174.483 174.280 0.203 1
1 381 . 3 1 1 A 38 38 GLY HA2 H 38 3.617 4.011 -0.394 1
1 382 . 3 1 1 A 39 39 ALA N N 39 124.015 123.347 0.668 1
1 383 . 3 1 1 A 39 39 ALA H H 39 7.483 7.905 -0.422 1
1 384 . 3 1 1 A 39 39 ALA CA C 39 52.396 51.203 1.193 1
1 385 . 3 1 1 A 39 39 ALA HA H 39 4.280 4.337 -0.057 1
1 386 . 3 1 1 A 39 39 ALA CB C 39 20.424 19.838 0.586 1
1 390 . 3 1 1 A 39 39 ALA C C 39 176.275 176.867 -0.592 1
1 391 . 3 1 1 A 40 40 LYS N N 40 119.513 122.628 -3.115 1
1 392 . 3 1 1 A 40 40 LYS H H 40 8.685 8.785 -0.100 1
1 393 . 3 1 1 A 40 40 LYS CA C 40 54.696 55.025 -0.329 1
1 394 . 3 1 1 A 40 40 LYS HA H 40 4.811 5.402 -0.591 1
1 395 . 3 1 1 A 40 40 LYS CB C 40 34.324 35.205 -0.881 1
1 403 . 3 1 1 A 40 40 LYS C C 40 176.004 176.344 -0.340 1
1 408 . 3 1 1 A 41 41 GLY N N 41 111.941 109.606 2.335 1
1 409 . 3 1 1 A 41 41 GLY H H 41 8.398 8.301 0.097 1
1 410 . 3 1 1 A 41 41 GLY CA C 41 45.887 45.793 0.094 1
1 411 . 3 1 1 A 41 41 GLY HA3 H 41 3.722 4.184 -0.462 1
1 412 . 3 1 1 A 41 41 GLY C C 41 171.021 171.049 -0.028 1
1 413 . 3 1 1 A 41 41 GLY HA2 H 41 3.722 4.096 -0.374 1
1 414 . 3 1 1 A 42 42 LYS N N 42 119.600 123.318 -3.718 1
1 415 . 3 1 1 A 42 42 LYS H H 42 7.293 7.988 -0.695 1
1 416 . 3 1 1 A 42 42 LYS CA C 42 54.522 54.785 -0.263 1
1 417 . 3 1 1 A 42 42 LYS HA H 42 4.467 4.798 -0.331 1
1 418 . 3 1 1 A 42 42 LYS CB C 42 34.979 36.024 -1.045 1
1 426 . 3 1 1 A 42 42 LYS C C 42 175.675 173.758 1.917 1
1 431 . 3 1 1 A 43 43 ILE N N 43 127.421 127.502 -0.081 1
1 432 . 3 1 1 A 43 43 ILE H H 43 8.706 8.664 0.042 1
1 433 . 3 1 1 A 43 43 ILE CA C 43 60.336 59.901 0.435 1
1 434 . 3 1 1 A 43 43 ILE HA H 43 4.695 4.558 0.137 1
1 435 . 3 1 1 A 43 43 ILE CB C 43 39.322 38.507 0.815 1
1 447 . 3 1 1 A 43 43 ILE C C 43 174.542 174.844 -0.302 1
1 449 . 3 1 1 A 44 44 ASP N N 44 127.995 126.521 1.474 1
1 450 . 3 1 1 A 44 44 ASP H H 44 8.861 8.726 0.135 1
1 451 . 3 1 1 A 44 44 ASP CA C 44 53.245 52.872 0.373 1
1 452 . 3 1 1 A 44 44 ASP HA H 44 4.817 5.361 -0.544 1
1 453 . 3 1 1 A 44 44 ASP CB C 44 44.577 45.139 -0.562 1
1 455 . 3 1 1 A 44 44 ASP C C 44 173.768 174.704 -0.936 1
1 457 . 3 1 1 A 45 45 ALA N N 45 127.601 124.235 3.366 1
1 458 . 3 1 1 A 45 45 ALA H H 45 8.819 8.714 0.105 1
1 459 . 3 1 1 A 45 45 ALA CA C 45 50.180 51.449 -1.269 1
1 460 . 3 1 1 A 45 45 ALA HA H 45 5.859 5.433 0.426 1
1 461 . 3 1 1 A 45 45 ALA CB C 45 21.379 21.389 -0.010 1
1 465 . 3 1 1 A 45 45 ALA C C 45 175.393 175.932 -0.539 1
1 466 . 3 1 1 A 46 46 LYS N N 46 122.427 122.839 -0.412 1
1 467 . 3 1 1 A 46 46 LYS H H 46 8.723 8.830 -0.107 1
1 468 . 3 1 1 A 46 46 LYS CA C 46 55.090 54.514 0.576 1
1 469 . 3 1 1 A 46 46 LYS HA H 46 5.057 4.977 0.080 1
1 470 . 3 1 1 A 46 46 LYS CB C 46 37.534 35.944 1.590 1
1 478 . 3 1 1 A 46 46 LYS C C 46 173.473 174.643 -1.170 1
1 483 . 3 1 1 A 47 47 VAL N N 47 120.177 122.419 -2.242 1
1 484 . 3 1 1 A 47 47 VAL H H 47 8.989 9.156 -0.167 1
1 485 . 3 1 1 A 47 47 VAL CA C 47 59.152 60.333 -1.181 1
1 486 . 3 1 1 A 47 47 VAL HA H 47 4.875 4.777 0.098 1
1 487 . 3 1 1 A 47 47 VAL CB C 47 34.502 33.788 0.714 1
1 497 . 3 1 1 A 47 47 VAL C C 47 173.786 174.791 -1.005 1
1 498 . 3 1 1 A 48 48 HIS N N 48 127.949 129.258 -1.309 1
1 499 . 3 1 1 A 48 48 HIS H H 48 9.661 8.971 0.690 1
1 500 . 3 1 1 A 48 48 HIS CA C 48 53.917 56.572 -2.655 1
1 501 . 3 1 1 A 48 48 HIS HA H 48 5.238 4.947 0.291 1
1 502 . 3 1 1 A 48 48 HIS CB C 48 30.549 31.356 -0.807 1
1 508 . 3 1 1 A 48 48 HIS C C 48 175.556 174.977 0.579 1
1 510 . 3 1 1 A 49 49 SER N N 49 121.639 115.149 6.490 1
1 511 . 3 1 1 A 49 49 SER H H 49 9.114 8.331 0.783 1
1 512 . 3 1 1 A 49 49 SER CA C 49 56.693 55.289 1.404 1
1 513 . 3 1 1 A 49 49 SER HA H 49 4.391 4.869 -0.478 1
1 514 . 3 1 1 A 49 49 SER CB C 49 63.160 64.871 -1.711 1
1 516 . 3 1 1 A 49 49 SER C C 49 174.390 174.063 0.327 1
1 518 . 3 1 1 A 50 50 PRO CA C 50 65.732 64.125 1.607 1
1 519 . 3 1 1 A 50 50 PRO HA H 50 4.247 4.484 -0.237 1
1 520 . 3 1 1 A 50 50 PRO CB C 50 31.516 31.630 -0.114 1
1 526 . 3 1 1 A 50 50 PRO C C 50 177.969 177.792 0.177 1
1 530 . 3 1 1 A 51 51 SER N N 51 110.808 113.089 -2.281 1
1 531 . 3 1 1 A 51 51 SER H H 51 8.539 7.800 0.739 1
1 532 . 3 1 1 A 51 51 SER CA C 51 59.311 58.544 0.767 1
1 533 . 3 1 1 A 51 51 SER HA H 51 4.331 4.532 -0.201 1
1 534 . 3 1 1 A 51 51 SER CB C 51 62.767 64.017 -1.250 1
1 536 . 3 1 1 A 51 51 SER C C 51 175.339 174.762 0.577 1
1 538 . 3 1 1 A 52 52 GLY N N 52 110.692 109.034 1.658 1
1 539 . 3 1 1 A 52 52 GLY H H 52 8.181 8.214 -0.033 1
1 540 . 3 1 1 A 52 52 GLY CA C 52 44.862 45.481 -0.619 1
1 541 . 3 1 1 A 52 52 GLY HA3 H 52 4.444 4.015 0.429 1
1 542 . 3 1 1 A 52 52 GLY C C 52 174.389 174.055 0.334 1
1 543 . 3 1 1 A 52 52 GLY HA2 H 52 3.634 4.001 -0.367 1
1 544 . 3 1 1 A 53 53 ALA N N 53 124.417 122.061 2.356 1
1 545 . 3 1 1 A 53 53 ALA H H 53 7.419 7.466 -0.047 1
1 546 . 3 1 1 A 53 53 ALA CA C 53 52.538 50.631 1.907 1
1 547 . 3 1 1 A 53 53 ALA HA H 53 4.373 4.798 -0.425 1
1 548 . 3 1 1 A 53 53 ALA CB C 53 19.207 22.815 -3.608 1
1 552 . 3 1 1 A 53 53 ALA C C 53 176.519 175.828 0.691 1
1 553 . 3 1 1 A 54 54 VAL N N 54 121.228 120.472 0.756 1
1 554 . 3 1 1 A 54 54 VAL H H 54 8.429 8.975 -0.546 1
1 555 . 3 1 1 A 54 54 VAL CA C 54 60.672 61.296 -0.624 1
1 556 . 3 1 1 A 54 54 VAL HA H 54 4.980 4.383 0.597 1
1 557 . 3 1 1 A 54 54 VAL CB C 54 33.933 33.363 0.570 1
1 567 . 3 1 1 A 54 54 VAL C C 54 175.443 174.920 0.523 1
1 568 . 3 1 1 A 55 55 GLU N N 55 126.290 127.288 -0.998 1
1 569 . 3 1 1 A 55 55 GLU H H 55 8.640 8.759 -0.119 1
1 570 . 3 1 1 A 55 55 GLU CA C 55 54.306 54.941 -0.635 1
1 571 . 3 1 1 A 55 55 GLU HA H 55 4.754 4.771 -0.017 1
1 572 . 3 1 1 A 55 55 GLU CB C 55 33.612 31.905 1.707 1
1 576 . 3 1 1 A 55 55 GLU C C 55 175.073 175.417 -0.344 1
1 579 . 3 1 1 A 56 56 GLU N N 56 123.200 122.609 0.591 1
1 580 . 3 1 1 A 56 56 GLU H H 56 8.878 8.764 0.114 1
1 581 . 3 1 1 A 56 56 GLU CA C 56 56.966 56.245 0.721 1
1 582 . 3 1 1 A 56 56 GLU HA H 56 4.479 4.623 -0.144 1
1 583 . 3 1 1 A 56 56 GLU CB C 56 30.258 30.954 -0.696 1
1 587 . 3 1 1 A 56 56 GLU C C 56 177.592 176.053 1.539 1
1 590 . 3 1 1 A 57 57 CYS N N 57 121.919 125.977 -4.058 1
1 591 . 3 1 1 A 57 57 CYS H H 57 8.496 8.349 0.147 1
1 592 . 3 1 1 A 57 57 CYS CA C 57 59.030 58.440 0.590 1
1 593 . 3 1 1 A 57 57 CYS HA H 57 4.690 5.011 -0.321 1
1 594 . 3 1 1 A 57 57 CYS CB C 57 29.620 28.353 1.267 1
1 596 . 3 1 1 A 57 57 CYS C C 57 173.871 174.358 -0.487 1
1 598 . 3 1 1 A 58 58 HIS N N 58 123.415 124.181 -0.766 1
1 599 . 3 1 1 A 58 58 HIS H H 58 8.961 8.478 0.483 1
1 600 . 3 1 1 A 58 58 HIS CA C 58 56.751 57.753 -1.002 1
1 601 . 3 1 1 A 58 58 HIS HA H 58 4.725 4.547 0.178 1
1 602 . 3 1 1 A 58 58 HIS CB C 58 31.813 30.553 1.260 1
1 608 . 3 1 1 A 58 58 HIS C C 58 174.903 174.096 0.807 1
1 610 . 3 1 1 A 59 59 VAL N N 59 128.900 128.392 0.508 1
1 611 . 3 1 1 A 59 59 VAL H H 59 8.521 8.451 0.070 1
1 612 . 3 1 1 A 59 59 VAL CA C 59 61.131 61.113 0.018 1
1 613 . 3 1 1 A 59 59 VAL HA H 59 5.142 4.903 0.239 1
1 614 . 3 1 1 A 59 59 VAL CB C 59 33.825 34.586 -0.761 1
1 624 . 3 1 1 A 59 59 VAL C C 59 175.539 175.010 0.529 1
1 625 . 3 1 1 A 60 60 SER N N 60 120.428 122.207 -1.779 1
1 626 . 3 1 1 A 60 60 SER H H 60 8.995 8.873 0.122 1
1 627 . 3 1 1 A 60 60 SER CA C 60 56.782 56.470 0.312 1
1 628 . 3 1 1 A 60 60 SER HA H 60 4.823 5.536 -0.713 1
1 629 . 3 1 1 A 60 60 SER CB C 60 65.880 65.585 0.295 1
1 631 . 3 1 1 A 60 60 SER C C 60 172.353 172.588 -0.235 1
1 633 . 3 1 1 A 61 61 GLU N N 61 125.163 125.839 -0.676 1
1 634 . 3 1 1 A 61 61 GLU H H 61 8.894 8.805 0.089 1
1 635 . 3 1 1 A 61 61 GLU CA C 61 57.081 56.817 0.264 1
1 636 . 3 1 1 A 61 61 GLU HA H 61 3.545 4.229 -0.684 1
1 637 . 3 1 1 A 61 61 GLU CB C 61 30.675 29.475 1.200 1
1 641 . 3 1 1 A 61 61 GLU C C 61 176.353 175.549 0.804 1
1 644 . 3 1 1 A 62 62 LEU N N 62 129.563 128.087 1.476 1
1 645 . 3 1 1 A 62 62 LEU H H 62 8.800 8.943 -0.143 1
1 646 . 3 1 1 A 62 62 LEU CA C 62 56.462 55.725 0.737 1
1 647 . 3 1 1 A 62 62 LEU HA H 62 4.341 4.386 -0.045 1
1 648 . 3 1 1 A 62 62 LEU CB C 62 44.020 42.960 1.060 1
1 660 . 3 1 1 A 62 62 LEU C C 62 176.662 176.615 0.047 1
1 662 . 3 1 1 A 63 63 GLU N N 63 117.143 118.035 -0.892 1
1 663 . 3 1 1 A 63 63 GLU H H 63 8.292 7.319 0.973 1
1 664 . 3 1 1 A 63 63 GLU CA C 63 53.777 52.991 0.786 1
1 665 . 3 1 1 A 63 63 GLU HA H 63 4.655 4.661 -0.006 1
1 666 . 3 1 1 A 63 63 GLU CB C 63 29.768 31.388 -1.620 1
1 670 . 3 1 1 A 63 63 GLU C C 63 172.058 176.208 -4.150 1
1 673 . 3 1 1 A 64 64 PRO CA C 64 65.767 64.312 1.455 1
1 674 . 3 1 1 A 64 64 PRO HA H 64 4.227 4.515 -0.288 1
1 675 . 3 1 1 A 64 64 PRO CB C 64 31.005 31.814 -0.809 1
1 681 . 3 1 1 A 64 64 PRO C C 64 177.068 176.324 0.744 1
1 685 . 3 1 1 A 65 65 ASP N N 65 118.425 116.717 1.708 1
1 686 . 3 1 1 A 65 65 ASP H H 65 8.965 8.357 0.608 1
1 687 . 3 1 1 A 65 65 ASP CA C 65 55.827 54.137 1.690 1
1 688 . 3 1 1 A 65 65 ASP HA H 65 4.589 4.968 -0.379 1
1 689 . 3 1 1 A 65 65 ASP CB C 65 43.713 43.014 0.699 1
1 691 . 3 1 1 A 65 65 ASP C C 65 174.921 175.208 -0.287 1
1 693 . 3 1 1 A 66 66 LYS N N 66 120.940 119.633 1.307 1
1 694 . 3 1 1 A 66 66 LYS H H 66 8.476 7.492 0.984 1
1 695 . 3 1 1 A 66 66 LYS CA C 66 55.938 55.638 0.300 1
1 696 . 3 1 1 A 66 66 LYS HA H 66 5.476 5.154 0.322 1
1 697 . 3 1 1 A 66 66 LYS CB C 66 36.812 36.320 0.492 1
1 705 . 3 1 1 A 66 66 LYS C C 66 173.912 174.085 -0.173 1
1 710 . 3 1 1 A 67 67 TYR N N 67 126.047 122.852 3.195 1
1 711 . 3 1 1 A 67 67 TYR H H 67 9.291 9.035 0.256 1
1 712 . 3 1 1 A 67 67 TYR CA C 67 56.589 56.383 0.206 1
1 713 . 3 1 1 A 67 67 TYR HA H 67 5.136 5.252 -0.116 1
1 714 . 3 1 1 A 67 67 TYR CB C 67 41.933 43.568 -1.635 1
1 724 . 3 1 1 A 67 67 TYR C C 67 174.424 174.140 0.284 1
1 726 . 3 1 1 A 68 68 ALA N N 68 123.234 122.906 0.328 1
1 727 . 3 1 1 A 68 68 ALA H H 68 9.393 8.544 0.849 1
1 728 . 3 1 1 A 68 68 ALA CA C 68 50.620 50.035 0.585 1
1 729 . 3 1 1 A 68 68 ALA HA H 68 5.002 5.544 -0.542 1
1 730 . 3 1 1 A 68 68 ALA CB C 68 21.211 22.710 -1.499 1
1 734 . 3 1 1 A 68 68 ALA C C 68 176.258 175.797 0.461 1
1 735 . 3 1 1 A 69 69 VAL N N 69 121.910 120.449 1.461 1
1 736 . 3 1 1 A 69 69 VAL H H 69 8.412 8.382 0.030 1
1 737 . 3 1 1 A 69 69 VAL CA C 69 61.147 61.291 -0.144 1
1 738 . 3 1 1 A 69 69 VAL HA H 69 4.587 4.761 -0.174 1
1 739 . 3 1 1 A 69 69 VAL CB C 69 32.409 34.289 -1.880 1
1 749 . 3 1 1 A 69 69 VAL C C 69 174.300 173.716 0.584 1
1 750 . 3 1 1 A 70 70 ARG N N 70 125.218 129.796 -4.578 1
1 751 . 3 1 1 A 70 70 ARG H H 70 8.926 9.413 -0.487 1
1 752 . 3 1 1 A 70 70 ARG CA C 70 54.404 54.634 -0.230 1
1 753 . 3 1 1 A 70 70 ARG HA H 70 5.665 5.230 0.435 1
1 754 . 3 1 1 A 70 70 ARG CB C 70 34.966 32.131 2.835 1
1 760 . 3 1 1 A 70 70 ARG C C 70 175.124 175.081 0.043 1
1 764 . 3 1 1 A 71 71 PHE N N 71 120.657 120.218 0.439 1
1 765 . 3 1 1 A 71 71 PHE H H 71 8.780 9.298 -0.518 1
1 766 . 3 1 1 A 71 71 PHE CA C 71 55.969 56.332 -0.363 1
1 767 . 3 1 1 A 71 71 PHE HA H 71 5.082 5.121 -0.039 1
1 768 . 3 1 1 A 71 71 PHE CB C 71 41.335 41.437 -0.102 1
1 780 . 3 1 1 A 71 71 PHE C C 71 171.920 172.044 -0.124 1
1 782 . 3 1 1 A 72 72 ILE N N 72 120.347 121.906 -1.559 1
1 783 . 3 1 1 A 72 72 ILE H H 72 8.714 9.019 -0.305 1
1 784 . 3 1 1 A 72 72 ILE CA C 72 57.669 58.097 -0.428 1
1 785 . 3 1 1 A 72 72 ILE HA H 72 4.469 4.565 -0.096 1
1 786 . 3 1 1 A 72 72 ILE CB C 72 39.824 38.708 1.116 1
1 798 . 3 1 1 A 72 72 ILE C C 72 173.612 175.065 -1.453 1
1 800 . 3 1 1 A 73 73 PRO CA C 73 62.050 62.274 -0.224 1
1 801 . 3 1 1 A 73 73 PRO HA H 73 4.493 4.816 -0.323 1
1 802 . 3 1 1 A 73 73 PRO CB C 73 33.680 29.139 4.541 1
1 808 . 3 1 1 A 73 73 PRO C C 73 176.990 175.471 1.519 1
1 812 . 3 1 1 A 74 74 HIS N N 74 119.655 117.633 2.022 1
1 813 . 3 1 1 A 74 74 HIS H H 74 10.240 8.386 1.854 1
1 814 . 3 1 1 A 74 74 HIS CA C 74 54.660 53.797 0.863 1
1 815 . 3 1 1 A 74 74 HIS HA H 74 5.035 5.683 -0.648 1
1 816 . 3 1 1 A 74 74 HIS CB C 74 30.530 31.656 -1.126 1
1 822 . 3 1 1 A 74 74 HIS C C 74 173.624 174.107 -0.483 1
1 824 . 3 1 1 A 75 75 GLU N N 75 118.178 123.186 -5.008 1
1 825 . 3 1 1 A 75 75 GLU H H 75 7.772 8.787 -1.015 1
1 826 . 3 1 1 A 75 75 GLU CA C 75 54.166 54.257 -0.091 1
1 827 . 3 1 1 A 75 75 GLU HA H 75 4.654 4.823 -0.169 1
1 828 . 3 1 1 A 75 75 GLU CB C 75 33.422 33.472 -0.050 1
1 832 . 3 1 1 A 75 75 GLU C C 75 173.599 176.009 -2.410 1
1 835 . 3 1 1 A 76 76 ASN N N 76 116.760 117.182 -0.422 1
1 836 . 3 1 1 A 76 76 ASN H H 76 8.530 8.649 -0.119 1
1 837 . 3 1 1 A 76 76 ASN CA C 76 53.486 52.001 1.485 1
1 838 . 3 1 1 A 76 76 ASN HA H 76 4.606 5.068 -0.462 1
1 839 . 3 1 1 A 76 76 ASN CB C 76 40.184 38.847 1.337 1
1 844 . 3 1 1 A 76 76 ASN C C 76 175.598 175.112 0.486 1
1 846 . 3 1 1 A 77 77 GLY N N 77 106.497 107.939 -1.442 1
1 847 . 3 1 1 A 77 77 GLY H H 77 9.152 7.611 1.541 1
1 848 . 3 1 1 A 77 77 GLY CA C 77 43.752 46.224 -2.472 1
1 849 . 3 1 1 A 77 77 GLY HA3 H 77 4.797 4.136 0.661 1
1 850 . 3 1 1 A 77 77 GLY C C 77 176.329 172.100 4.229 1
1 851 . 3 1 1 A 77 77 GLY HA2 H 77 3.897 4.109 -0.212 1
1 852 . 3 1 1 A 78 78 VAL N N 78 124.582 122.358 2.224 1
1 853 . 3 1 1 A 78 78 VAL H H 78 9.334 8.386 0.948 1
1 854 . 3 1 1 A 78 78 VAL CA C 78 64.642 61.116 3.526 1
1 855 . 3 1 1 A 78 78 VAL HA H 78 4.399 4.972 -0.573 1
1 856 . 3 1 1 A 78 78 VAL CB C 78 31.464 33.868 -2.404 1
1 866 . 3 1 1 A 78 78 VAL C C 78 176.269 175.313 0.956 1
1 867 . 3 1 1 A 79 79 HIS N N 79 129.160 126.007 3.153 1
1 868 . 3 1 1 A 79 79 HIS H H 79 9.854 9.081 0.773 1
1 869 . 3 1 1 A 79 79 HIS CA C 79 55.150 55.509 -0.359 1
1 870 . 3 1 1 A 79 79 HIS HA H 79 4.921 5.234 -0.313 1
1 871 . 3 1 1 A 79 79 HIS CB C 79 30.772 32.139 -1.367 1
1 877 . 3 1 1 A 79 79 HIS C C 79 174.062 175.066 -1.004 1
1 879 . 3 1 1 A 80 80 THR N N 80 116.006 114.986 1.020 1
1 880 . 3 1 1 A 80 80 THR H H 80 8.526 8.886 -0.360 1
1 881 . 3 1 1 A 80 80 THR CA C 80 60.983 61.645 -0.662 1
1 882 . 3 1 1 A 80 80 THR HA H 80 5.380 5.238 0.142 1
1 883 . 3 1 1 A 80 80 THR CB C 80 70.590 71.495 -0.905 1
1 889 . 3 1 1 A 80 80 THR C C 80 173.671 173.433 0.238 1
1 890 . 3 1 1 A 81 81 ILE N N 81 127.414 128.597 -1.183 1
1 891 . 3 1 1 A 81 81 ILE H H 81 9.745 8.863 0.882 1
1 892 . 3 1 1 A 81 81 ILE CA C 81 60.037 61.499 -1.462 1
1 893 . 3 1 1 A 81 81 ILE HA H 81 4.867 4.253 0.614 1
1 894 . 3 1 1 A 81 81 ILE CB C 81 39.883 37.874 2.009 1
1 906 . 3 1 1 A 81 81 ILE C C 81 175.279 174.825 0.454 1
1 908 . 3 1 1 A 82 82 ASP N N 82 128.375 128.628 -0.253 1
1 909 . 3 1 1 A 82 82 ASP H H 82 9.157 9.081 0.076 1
1 910 . 3 1 1 A 82 82 ASP CA C 82 53.084 53.036 0.048 1
1 911 . 3 1 1 A 82 82 ASP HA H 82 5.060 5.197 -0.137 1
1 912 . 3 1 1 A 82 82 ASP CB C 82 42.929 41.983 0.946 1
1 914 . 3 1 1 A 82 82 ASP C C 82 175.923 174.784 1.139 1
1 916 . 3 1 1 A 83 83 VAL N N 83 125.651 125.765 -0.114 1
1 917 . 3 1 1 A 83 83 VAL H H 83 9.897 8.825 1.072 1
1 918 . 3 1 1 A 83 83 VAL CA C 83 62.407 61.657 0.750 1
1 919 . 3 1 1 A 83 83 VAL HA H 83 4.553 4.712 -0.159 1
1 920 . 3 1 1 A 83 83 VAL CB C 83 33.233 31.955 1.278 1
1 930 . 3 1 1 A 83 83 VAL C C 83 173.327 175.080 -1.753 1
1 931 . 3 1 1 A 84 84 LYS N N 84 124.405 127.238 -2.833 1
1 932 . 3 1 1 A 84 84 LYS H H 84 8.874 8.808 0.066 1
1 933 . 3 1 1 A 84 84 LYS CA C 84 53.901 54.539 -0.638 1
1 934 . 3 1 1 A 84 84 LYS HA H 84 5.065 4.844 0.221 1
1 935 . 3 1 1 A 84 84 LYS CB C 84 36.851 35.672 1.179 1
1 943 . 3 1 1 A 84 84 LYS C C 84 174.760 175.118 -0.358 1
1 948 . 3 1 1 A 85 85 PHE N N 85 120.871 123.930 -3.059 1
1 949 . 3 1 1 A 85 85 PHE H H 85 9.167 9.065 0.102 1
1 950 . 3 1 1 A 85 85 PHE CA C 85 56.014 57.484 -1.470 1
1 951 . 3 1 1 A 85 85 PHE HA H 85 5.157 5.174 -0.017 1
1 952 . 3 1 1 A 85 85 PHE CB C 85 42.916 42.137 0.779 1
1 964 . 3 1 1 A 85 85 PHE C C 85 175.473 174.772 0.701 1
1 966 . 3 1 1 A 86 86 ASN N N 86 126.732 125.774 0.958 1
1 967 . 3 1 1 A 86 86 ASN H H 86 8.714 8.856 -0.142 1
1 968 . 3 1 1 A 86 86 ASN CA C 86 53.835 53.976 -0.141 1
1 969 . 3 1 1 A 86 86 ASN HA H 86 4.216 4.301 -0.085 1
1 970 . 3 1 1 A 86 86 ASN CB C 86 36.789 37.409 -0.620 1
1 975 . 3 1 1 A 86 86 ASN C C 86 175.700 174.704 0.996 1
1 977 . 3 1 1 A 87 87 GLY N N 87 102.449 105.221 -2.772 1
1 978 . 3 1 1 A 87 87 GLY H H 87 8.986 8.627 0.359 1
1 979 . 3 1 1 A 87 87 GLY CA C 87 45.490 46.577 -1.087 1
1 980 . 3 1 1 A 87 87 GLY HA3 H 87 4.223 3.940 0.283 1
1 981 . 3 1 1 A 87 87 GLY C C 87 174.149 173.551 0.598 1
1 982 . 3 1 1 A 87 87 GLY HA2 H 87 3.555 3.930 -0.375 1
1 983 . 3 1 1 A 88 88 SER N N 88 116.260 113.430 2.830 1
1 984 . 3 1 1 A 88 88 SER H H 88 7.670 7.718 -0.048 1
1 985 . 3 1 1 A 88 88 SER CA C 88 57.194 57.684 -0.490 1
1 986 . 3 1 1 A 88 88 SER HA H 88 4.935 4.796 0.139 1
1 987 . 3 1 1 A 88 88 SER CB C 88 65.421 66.366 -0.945 1
1 989 . 3 1 1 A 88 88 SER C C 88 173.491 173.119 0.372 1
1 991 . 3 1 1 A 89 89 HIS N N 89 124.290 125.451 -1.161 1
1 992 . 3 1 1 A 89 89 HIS H H 89 8.847 8.882 -0.035 1
1 993 . 3 1 1 A 89 89 HIS CA C 89 59.048 56.785 2.263 1
1 994 . 3 1 1 A 89 89 HIS HA H 89 4.543 4.548 -0.005 1
1 995 . 3 1 1 A 89 89 HIS CB C 89 32.463 29.382 3.081 1
1 1001 . 3 1 1 A 89 89 HIS C C 89 177.441 175.314 2.127 1
1 1003 . 3 1 1 A 90 90 VAL N N 90 116.253 122.496 -6.243 1
1 1004 . 3 1 1 A 90 90 VAL H H 90 8.283 8.119 0.164 1
1 1005 . 3 1 1 A 90 90 VAL CA C 90 60.279 62.049 -1.770 1
1 1006 . 3 1 1 A 90 90 VAL HA H 90 4.291 3.940 0.351 1
1 1007 . 3 1 1 A 90 90 VAL CB C 90 31.601 32.609 -1.008 1
1 1017 . 3 1 1 A 90 90 VAL C C 90 176.074 175.718 0.356 1
1 1018 . 3 1 1 A 91 91 VAL N N 91 123.139 124.438 -1.299 1
1 1019 . 3 1 1 A 91 91 VAL H H 91 8.910 8.533 0.377 1
1 1020 . 3 1 1 A 91 91 VAL CA C 91 66.030 63.546 2.484 1
1 1021 . 3 1 1 A 91 91 VAL HA H 91 3.632 3.773 -0.141 1
1 1022 . 3 1 1 A 91 91 VAL CB C 91 30.897 31.419 -0.522 1
1 1032 . 3 1 1 A 91 91 VAL C C 91 177.012 176.650 0.362 1
1 1033 . 3 1 1 A 92 92 GLY N N 92 116.727 117.455 -0.728 1
1 1034 . 3 1 1 A 92 92 GLY H H 92 8.396 8.752 -0.356 1
1 1035 . 3 1 1 A 92 92 GLY CA C 92 44.466 44.585 -0.119 1
1 1036 . 3 1 1 A 92 92 GLY HA3 H 92 4.180 3.921 0.259 1
1 1037 . 3 1 1 A 92 92 GLY C C 92 172.077 172.537 -0.460 1
1 1038 . 3 1 1 A 92 92 GLY HA2 H 92 3.221 3.853 -0.632 1
1 1039 . 3 1 1 A 93 93 SER N N 93 112.885 116.010 -3.125 1
1 1040 . 3 1 1 A 93 93 SER H H 93 7.484 7.474 0.010 1
1 1041 . 3 1 1 A 93 93 SER CA C 93 54.547 54.471 0.076 1
1 1042 . 3 1 1 A 93 93 SER HA H 93 4.065 4.170 -0.105 1
1 1043 . 3 1 1 A 93 93 SER CB C 93 62.575 64.670 -2.095 1
1 1045 . 3 1 1 A 93 93 SER C C 93 174.608 172.346 2.262 1
1 1047 . 3 1 1 A 94 94 PRO CA C 94 62.477 62.310 0.167 1
1 1048 . 3 1 1 A 94 94 PRO HA H 94 5.491 4.555 0.936 1
1 1049 . 3 1 1 A 94 94 PRO CB C 94 34.106 32.330 1.776 1
1 1055 . 3 1 1 A 94 94 PRO C C 94 176.779 175.534 1.245 1
1 1059 . 3 1 1 A 95 95 PHE N N 95 123.133 120.367 2.766 1
1 1060 . 3 1 1 A 95 95 PHE H H 95 9.200 8.333 0.867 1
1 1061 . 3 1 1 A 95 95 PHE CA C 95 57.291 57.472 -0.181 1
1 1062 . 3 1 1 A 95 95 PHE HA H 95 4.581 4.891 -0.310 1
1 1063 . 3 1 1 A 95 95 PHE CB C 95 41.165 41.023 0.142 1
1 1075 . 3 1 1 A 95 95 PHE C C 95 175.687 175.665 0.022 1
1 1077 . 3 1 1 A 96 96 LYS N N 96 122.134 121.406 0.728 1
1 1078 . 3 1 1 A 96 96 LYS H H 96 8.790 8.689 0.101 1
1 1079 . 3 1 1 A 96 96 LYS CA C 96 55.249 54.722 0.527 1
1 1080 . 3 1 1 A 96 96 LYS HA H 96 5.276 5.248 0.028 1
1 1081 . 3 1 1 A 96 96 LYS CB C 96 33.836 35.447 -1.611 1
1 1089 . 3 1 1 A 96 96 LYS C C 96 176.515 175.780 0.735 1
1 1094 . 3 1 1 A 97 97 VAL N N 97 117.706 117.853 -0.147 1
1 1095 . 3 1 1 A 97 97 VAL H H 97 8.873 8.468 0.405 1
1 1096 . 3 1 1 A 97 97 VAL CA C 97 59.188 59.350 -0.162 1
1 1097 . 3 1 1 A 97 97 VAL HA H 97 4.917 4.820 0.097 1
1 1098 . 3 1 1 A 97 97 VAL CB C 97 35.185 35.789 -0.604 1
1 1108 . 3 1 1 A 97 97 VAL C C 97 173.801 173.926 -0.125 1
1 1109 . 3 1 1 A 98 98 ARG N N 98 125.203 124.641 0.562 1
1 1110 . 3 1 1 A 98 98 ARG H H 98 8.826 8.825 0.001 1
1 1111 . 3 1 1 A 98 98 ARG CA C 98 56.337 55.272 1.065 1
1 1112 . 3 1 1 A 98 98 ARG HA H 98 4.610 4.870 -0.260 1
1 1113 . 3 1 1 A 98 98 ARG CB C 98 32.031 31.731 0.300 1
1 1119 . 3 1 1 A 98 98 ARG C C 98 174.438 175.920 -1.482 1
1 1123 . 3 1 1 A 99 99 VAL N N 99 127.382 128.087 -0.705 1
1 1124 . 3 1 1 A 99 99 VAL H H 99 8.144 8.851 -0.707 1
1 1125 . 3 1 1 A 99 99 VAL CA C 99 61.216 62.567 -1.351 1
1 1126 . 3 1 1 A 99 99 VAL HA H 99 4.115 4.317 -0.202 1
1 1127 . 3 1 1 A 99 99 VAL CB C 99 32.590 31.947 0.643 1
1 1137 . 3 1 1 A 99 99 VAL C C 99 176.994 175.139 1.855 1
1 1138 . 3 1 1 A 100 100 GLY N N 100 117.424 113.823 3.601 1
1 1139 . 3 1 1 A 100 100 GLY H H 100 8.682 8.133 0.549 1
1 1140 . 3 1 1 A 100 100 GLY CA C 100 44.650 45.607 -0.957 1
1 1141 . 3 1 1 A 100 100 GLY HA3 H 100 4.386 4.158 0.228 1
1 1142 . 3 1 1 A 100 100 GLY C C 100 173.180 173.405 -0.225 1
1 1143 . 3 1 1 A 100 100 GLY HA2 H 100 3.954 4.158 -0.204 1
1 1144 . 3 1 1 A 101 101 GLU N N 101 119.495 121.526 -2.031 1
1 1145 . 3 1 1 A 101 101 GLU H H 101 8.383 8.511 -0.128 1
1 1146 . 3 1 1 A 101 101 GLU CA C 101 54.168 55.676 -1.508 1
1 1147 . 3 1 1 A 101 101 GLU HA H 101 4.661 4.310 0.351 1
1 1148 . 3 1 1 A 101 101 GLU CB C 101 29.836 29.516 0.320 1
1 1152 . 3 1 1 A 101 101 GLU C C 101 175.458 176.057 -0.599 1
1 1155 . 3 1 1 A 102 102 PRO CA C 102 63.897 63.397 0.500 1
1 1156 . 3 1 1 A 102 102 PRO HA H 102 4.361 4.463 -0.102 1
1 1157 . 3 1 1 A 102 102 PRO CB C 102 31.946 31.836 0.110 1
1 1163 . 3 1 1 A 102 102 PRO C C 102 177.509 176.027 1.482 1
1 1167 . 3 1 1 A 103 103 GLY N N 103 109.378 108.934 0.444 1
1 1168 . 3 1 1 A 103 103 GLY H H 103 8.552 8.164 0.388 1
1 1169 . 3 1 1 A 103 103 GLY CA C 103 45.263 44.300 0.963 1
1 1170 . 3 1 1 A 103 103 GLY HA3 H 103 3.962 4.112 -0.150 1
1 1171 . 3 1 1 A 103 103 GLY C C 103 174.277 172.256 2.021 1
1 1172 . 3 1 1 A 103 103 GLY HA2 H 103 3.962 4.111 -0.149 1
1 1173 . 3 1 1 A 104 104 GLN N N 104 119.735 119.956 -0.221 1
1 1174 . 3 1 1 A 104 104 GLN H H 104 8.096 8.346 -0.250 1
1 1175 . 3 1 1 A 104 104 GLN CA C 104 55.924 54.475 1.449 1
1 1176 . 3 1 1 A 104 104 GLN HA H 104 4.339 4.885 -0.546 1
1 1177 . 3 1 1 A 104 104 GLN CB C 104 29.622 29.706 -0.084 1
1 1184 . 3 1 1 A 104 104 GLN C C 104 175.669 175.303 0.366 1
1 1187 . 3 1 1 A 105 105 ALA N N 105 125.603 128.176 -2.573 1
1 1188 . 3 1 1 A 105 105 ALA H H 105 8.389 8.570 -0.181 1
1 1189 . 3 1 1 A 105 105 ALA CA C 105 52.416 53.569 -1.153 1
1 1190 . 3 1 1 A 105 105 ALA HA H 105 4.385 4.118 0.267 1
1 1191 . 3 1 1 A 105 105 ALA CB C 105 19.608 18.545 1.063 1
1 1195 . 3 1 1 A 105 105 ALA C C 105 176.971 177.556 -0.585 1
1 1 . 4 1 1 A 8 8 SER CA C 8 59.066 56.968 2.098 1
1 2 . 4 1 1 A 8 8 SER HA H 8 4.444 4.945 -0.501 1
1 3 . 4 1 1 A 8 8 SER CB C 8 63.749 65.937 -2.188 1
1 5 . 4 1 1 A 8 8 SER C C 8 174.832 172.989 1.843 1
1 7 . 4 1 1 A 9 9 ASP N N 9 122.244 127.859 -5.615 1
1 8 . 4 1 1 A 9 9 ASP H H 9 8.460 8.929 -0.469 1
1 9 . 4 1 1 A 9 9 ASP CA C 9 54.943 54.919 0.024 1
1 10 . 4 1 1 A 9 9 ASP HA H 9 4.730 4.653 0.077 1
1 11 . 4 1 1 A 9 9 ASP CB C 9 41.125 41.630 -0.505 1
1 13 . 4 1 1 A 9 9 ASP C C 9 176.845 175.183 1.662 1
1 15 . 4 1 1 A 10 10 ASP N N 10 120.929 119.299 1.630 1
1 16 . 4 1 1 A 10 10 ASP H H 10 8.121 8.962 -0.841 1
1 17 . 4 1 1 A 10 10 ASP CA C 10 55.841 52.898 2.943 1
1 18 . 4 1 1 A 10 10 ASP HA H 10 4.523 5.153 -0.630 1
1 19 . 4 1 1 A 10 10 ASP CB C 10 41.834 41.718 0.116 1
1 21 . 4 1 1 A 10 10 ASP C C 10 177.047 175.567 1.480 1
1 23 . 4 1 1 A 11 11 ALA N N 11 122.815 125.979 -3.164 1
1 24 . 4 1 1 A 11 11 ALA H H 11 8.520 8.661 -0.141 1
1 25 . 4 1 1 A 11 11 ALA CA C 11 54.828 52.869 1.959 1
1 26 . 4 1 1 A 11 11 ALA HA H 11 4.004 4.493 -0.489 1
1 27 . 4 1 1 A 11 11 ALA CB C 11 19.454 20.051 -0.597 1
1 31 . 4 1 1 A 11 11 ALA C C 11 179.280 177.940 1.340 1
1 32 . 4 1 1 A 12 12 ARG N N 12 115.782 115.020 0.762 1
1 33 . 4 1 1 A 12 12 ARG H H 12 8.159 7.855 0.304 1
1 34 . 4 1 1 A 12 12 ARG CA C 12 57.578 55.556 2.022 1
1 35 . 4 1 1 A 12 12 ARG HA H 12 4.310 4.451 -0.141 1
1 36 . 4 1 1 A 12 12 ARG CB C 12 29.817 30.459 -0.642 1
1 42 . 4 1 1 A 12 12 ARG C C 12 176.412 176.621 -0.209 1
1 46 . 4 1 1 A 13 13 ARG N N 13 117.438 118.376 -0.938 1
1 47 . 4 1 1 A 13 13 ARG H H 13 7.858 7.617 0.241 1
1 48 . 4 1 1 A 13 13 ARG CA C 13 56.855 55.126 1.729 1
1 49 . 4 1 1 A 13 13 ARG HA H 13 4.183 4.452 -0.269 1
1 50 . 4 1 1 A 13 13 ARG CB C 13 30.976 29.921 1.055 1
1 56 . 4 1 1 A 13 13 ARG C C 13 176.451 174.352 2.099 1
1 60 . 4 1 1 A 14 14 LEU N N 14 121.077 121.165 -0.088 1
1 61 . 4 1 1 A 14 14 LEU H H 14 6.925 7.486 -0.561 1
1 62 . 4 1 1 A 14 14 LEU CA C 14 56.582 53.623 2.959 1
1 63 . 4 1 1 A 14 14 LEU HA H 14 4.394 4.868 -0.474 1
1 64 . 4 1 1 A 14 14 LEU CB C 14 42.968 46.016 -3.048 1
1 76 . 4 1 1 A 14 14 LEU C C 14 177.296 175.401 1.895 1
1 78 . 4 1 1 A 15 15 THR N N 15 115.028 119.153 -4.125 1
1 79 . 4 1 1 A 15 15 THR H H 15 8.716 8.846 -0.130 1
1 80 . 4 1 1 A 15 15 THR CA C 15 61.169 61.698 -0.529 1
1 81 . 4 1 1 A 15 15 THR HA H 15 4.667 5.055 -0.388 1
1 82 . 4 1 1 A 15 15 THR CB C 15 71.348 71.395 -0.047 1
1 88 . 4 1 1 A 15 15 THR C C 15 173.454 173.086 0.368 1
1 89 . 4 1 1 A 16 16 VAL N N 16 126.736 127.596 -0.860 1
1 90 . 4 1 1 A 16 16 VAL H H 16 8.727 8.848 -0.121 1
1 91 . 4 1 1 A 16 16 VAL CA C 16 62.600 61.444 1.156 1
1 92 . 4 1 1 A 16 16 VAL HA H 16 4.539 4.499 0.040 1
1 93 . 4 1 1 A 16 16 VAL CB C 16 32.521 32.502 0.019 1
1 103 . 4 1 1 A 16 16 VAL C C 16 175.348 175.063 0.285 1
1 104 . 4 1 1 A 17 17 MET N N 17 126.444 124.802 1.642 1
1 105 . 4 1 1 A 17 17 MET H H 17 9.255 8.696 0.559 1
1 106 . 4 1 1 A 17 17 MET CA C 17 54.872 53.970 0.902 1
1 107 . 4 1 1 A 17 17 MET HA H 17 4.806 4.987 -0.181 1
1 108 . 4 1 1 A 17 17 MET CB C 17 35.443 35.936 -0.493 1
1 116 . 4 1 1 A 17 17 MET C C 17 174.681 175.367 -0.686 1
1 119 . 4 1 1 A 18 18 SER N N 18 112.443 112.532 -0.089 1
1 120 . 4 1 1 A 18 18 SER H H 18 8.568 8.472 0.096 1
1 121 . 4 1 1 A 18 18 SER CA C 18 58.711 58.711 0.000 1
1 122 . 4 1 1 A 18 18 SER HA H 18 4.018 3.988 0.030 1
1 123 . 4 1 1 A 18 18 SER CB C 18 62.009 62.059 -0.050 1
1 125 . 4 1 1 A 18 18 SER C C 18 173.373 172.895 0.478 1
1 127 . 4 1 1 A 19 19 LEU N N 19 122.011 121.066 0.945 1
1 128 . 4 1 1 A 19 19 LEU H H 19 7.996 7.714 0.282 1
1 129 . 4 1 1 A 19 19 LEU CA C 19 54.978 53.836 1.142 1
1 130 . 4 1 1 A 19 19 LEU HA H 19 4.283 4.880 -0.597 1
1 131 . 4 1 1 A 19 19 LEU CB C 19 41.955 43.983 -2.028 1
1 143 . 4 1 1 A 19 19 LEU C C 19 176.135 175.613 0.522 1
1 145 . 4 1 1 A 20 20 GLN N N 20 127.739 127.226 0.513 1
1 146 . 4 1 1 A 20 20 GLN H H 20 8.669 8.667 0.002 1
1 147 . 4 1 1 A 20 20 GLN CA C 20 55.617 56.429 -0.812 1
1 148 . 4 1 1 A 20 20 GLN HA H 20 4.400 4.396 0.004 1
1 149 . 4 1 1 A 20 20 GLN CB C 20 29.298 29.836 -0.538 1
1 156 . 4 1 1 A 20 20 GLN C C 20 175.033 175.268 -0.235 1
1 159 . 4 1 1 A 21 21 GLU N N 21 121.152 123.632 -2.480 1
1 160 . 4 1 1 A 21 21 GLU H H 21 8.546 9.253 -0.707 1
1 161 . 4 1 1 A 21 21 GLU CA C 21 57.598 57.495 0.103 1
1 162 . 4 1 1 A 21 21 GLU HA H 21 4.310 4.549 -0.239 1
1 163 . 4 1 1 A 21 21 GLU CB C 21 30.764 31.488 -0.724 1
1 167 . 4 1 1 A 21 21 GLU C C 21 176.581 177.689 -1.108 1
1 170 . 4 1 1 A 22 22 SER N N 22 113.328 111.999 1.329 1
1 171 . 4 1 1 A 22 22 SER H H 22 8.018 8.209 -0.191 1
1 172 . 4 1 1 A 22 22 SER CA C 22 57.682 58.043 -0.361 1
1 173 . 4 1 1 A 22 22 SER HA H 22 4.997 5.118 -0.121 1
1 174 . 4 1 1 A 22 22 SER CB C 22 64.489 63.809 0.680 1
1 176 . 4 1 1 A 22 22 SER C C 22 174.062 174.991 -0.929 1
1 178 . 4 1 1 A 23 23 GLY N N 23 109.317 108.739 0.578 1
1 179 . 4 1 1 A 23 23 GLY H H 23 8.828 7.963 0.865 1
1 180 . 4 1 1 A 23 23 GLY CA C 23 45.609 45.447 0.162 1
1 181 . 4 1 1 A 23 23 GLY HA3 H 23 4.116 4.054 0.062 1
1 182 . 4 1 1 A 23 23 GLY C C 23 174.629 174.017 0.612 1
1 183 . 4 1 1 A 23 23 GLY HA2 H 23 3.832 4.052 -0.220 1
1 184 . 4 1 1 A 24 24 LEU N N 24 120.545 120.527 0.018 1
1 185 . 4 1 1 A 24 24 LEU H H 24 7.559 7.323 0.236 1
1 186 . 4 1 1 A 24 24 LEU CA C 24 55.569 54.823 0.746 1
1 187 . 4 1 1 A 24 24 LEU HA H 24 4.310 4.321 -0.011 1
1 188 . 4 1 1 A 24 24 LEU CB C 24 42.978 42.164 0.814 1
1 200 . 4 1 1 A 24 24 LEU C C 24 176.704 176.308 0.396 1
1 202 . 4 1 1 A 25 25 LYS N N 25 122.188 121.189 0.999 1
1 203 . 4 1 1 A 25 25 LYS H H 25 8.828 8.427 0.401 1
1 204 . 4 1 1 A 25 25 LYS CA C 25 54.686 54.744 -0.058 1
1 205 . 4 1 1 A 25 25 LYS HA H 25 4.676 4.822 -0.146 1
1 206 . 4 1 1 A 25 25 LYS CB C 25 35.736 35.417 0.319 1
1 214 . 4 1 1 A 25 25 LYS C C 25 175.885 176.393 -0.508 1
1 219 . 4 1 1 A 26 26 VAL N N 26 121.689 123.299 -1.610 1
1 220 . 4 1 1 A 26 26 VAL H H 26 8.503 8.574 -0.071 1
1 221 . 4 1 1 A 26 26 VAL CA C 26 64.069 62.164 1.905 1
1 222 . 4 1 1 A 26 26 VAL HA H 26 3.218 4.119 -0.901 1
1 223 . 4 1 1 A 26 26 VAL CB C 26 31.636 32.473 -0.837 1
1 233 . 4 1 1 A 26 26 VAL C C 26 175.837 175.655 0.182 1
1 234 . 4 1 1 A 27 27 ASN N N 27 116.772 118.642 -1.870 1
1 235 . 4 1 1 A 27 27 ASN H H 27 8.682 8.980 -0.298 1
1 236 . 4 1 1 A 27 27 ASN CA C 27 55.183 54.470 0.713 1
1 237 . 4 1 1 A 27 27 ASN HA H 27 4.138 4.374 -0.236 1
1 238 . 4 1 1 A 27 27 ASN CB C 27 37.242 37.433 -0.191 1
1 243 . 4 1 1 A 27 27 ASN C C 27 173.308 173.986 -0.678 1
1 245 . 4 1 1 A 28 28 GLN N N 28 118.793 116.958 1.835 1
1 246 . 4 1 1 A 28 28 GLN H H 28 7.544 7.625 -0.081 1
1 247 . 4 1 1 A 28 28 GLN CA C 28 52.212 52.395 -0.183 1
1 248 . 4 1 1 A 28 28 GLN HA H 28 4.893 4.711 0.182 1
1 249 . 4 1 1 A 28 28 GLN CB C 28 30.060 30.688 -0.628 1
1 256 . 4 1 1 A 28 28 GLN C C 28 173.078 173.394 -0.316 1
1 259 . 4 1 1 A 29 29 PRO CA C 29 63.563 62.818 0.745 1
1 260 . 4 1 1 A 29 29 PRO HA H 29 4.294 4.537 -0.243 1
1 261 . 4 1 1 A 29 29 PRO CB C 29 31.874 31.637 0.237 1
1 267 . 4 1 1 A 29 29 PRO C C 29 175.250 175.653 -0.403 1
1 271 . 4 1 1 A 30 30 ALA N N 30 128.803 126.488 2.315 1
1 272 . 4 1 1 A 30 30 ALA H H 30 8.887 8.354 0.533 1
1 273 . 4 1 1 A 30 30 ALA CA C 30 50.558 50.657 -0.099 1
1 274 . 4 1 1 A 30 30 ALA HA H 30 4.539 4.800 -0.261 1
1 275 . 4 1 1 A 30 30 ALA CB C 30 21.602 21.465 0.137 1
1 279 . 4 1 1 A 30 30 ALA C C 30 175.510 175.770 -0.260 1
1 280 . 4 1 1 A 31 31 SER N N 31 112.512 116.127 -3.615 1
1 281 . 4 1 1 A 31 31 SER H H 31 8.214 8.813 -0.599 1
1 282 . 4 1 1 A 31 31 SER CA C 31 56.701 55.603 1.098 1
1 283 . 4 1 1 A 31 31 SER HA H 31 5.832 5.746 0.086 1
1 284 . 4 1 1 A 31 31 SER CB C 31 66.721 66.257 0.464 1
1 286 . 4 1 1 A 31 31 SER C C 31 173.379 173.875 -0.496 1
1 288 . 4 1 1 A 32 32 PHE N N 32 119.232 117.569 1.663 1
1 289 . 4 1 1 A 32 32 PHE H H 32 8.798 8.442 0.356 1
1 290 . 4 1 1 A 32 32 PHE CA C 32 56.218 55.713 0.505 1
1 291 . 4 1 1 A 32 32 PHE HA H 32 4.925 5.459 -0.534 1
1 292 . 4 1 1 A 32 32 PHE CB C 32 39.752 42.123 -2.371 1
1 304 . 4 1 1 A 32 32 PHE C C 32 172.709 172.385 0.324 1
1 306 . 4 1 1 A 33 33 ALA N N 33 122.788 122.159 0.629 1
1 307 . 4 1 1 A 33 33 ALA H H 33 8.827 8.435 0.392 1
1 308 . 4 1 1 A 33 33 ALA CA C 33 50.616 50.250 0.366 1
1 309 . 4 1 1 A 33 33 ALA HA H 33 5.654 5.714 -0.060 1
1 310 . 4 1 1 A 33 33 ALA CB C 33 22.616 22.484 0.132 1
1 314 . 4 1 1 A 33 33 ALA C C 33 175.770 176.485 -0.715 1
1 315 . 4 1 1 A 34 34 ILE N N 34 118.542 121.136 -2.594 1
1 316 . 4 1 1 A 34 34 ILE H H 34 9.194 8.720 0.474 1
1 317 . 4 1 1 A 34 34 ILE CA C 34 59.486 60.580 -1.094 1
1 318 . 4 1 1 A 34 34 ILE HA H 34 4.978 4.659 0.319 1
1 319 . 4 1 1 A 34 34 ILE CB C 34 42.577 39.604 2.973 1
1 331 . 4 1 1 A 34 34 ILE C C 34 174.924 175.250 -0.326 1
1 333 . 4 1 1 A 35 35 ARG N N 35 126.774 129.002 -2.228 1
1 334 . 4 1 1 A 35 35 ARG H H 35 9.038 8.964 0.074 1
1 335 . 4 1 1 A 35 35 ARG CA C 35 54.096 56.752 -2.656 1
1 336 . 4 1 1 A 35 35 ARG HA H 35 5.283 4.466 0.817 1
1 337 . 4 1 1 A 35 35 ARG CB C 35 32.039 31.116 0.923 1
1 343 . 4 1 1 A 35 35 ARG C C 35 175.959 175.120 0.839 1
1 347 . 4 1 1 A 36 36 LEU N N 36 123.887 126.947 -3.060 1
1 348 . 4 1 1 A 36 36 LEU H H 36 8.648 8.480 0.168 1
1 349 . 4 1 1 A 36 36 LEU CA C 36 56.318 53.405 2.913 1
1 350 . 4 1 1 A 36 36 LEU HA H 36 4.037 4.883 -0.846 1
1 351 . 4 1 1 A 36 36 LEU CB C 36 41.028 43.507 -2.479 1
1 363 . 4 1 1 A 36 36 LEU C C 36 177.292 176.317 0.975 1
1 365 . 4 1 1 A 37 37 ASN N N 37 115.087 122.416 -7.329 1
1 366 . 4 1 1 A 37 37 ASN H H 37 8.594 8.654 -0.060 1
1 367 . 4 1 1 A 37 37 ASN CA C 37 54.182 53.088 1.094 1
1 368 . 4 1 1 A 37 37 ASN HA H 37 4.407 4.870 -0.463 1
1 369 . 4 1 1 A 37 37 ASN CB C 37 37.687 38.786 -1.099 1
1 374 . 4 1 1 A 37 37 ASN C C 37 176.277 175.544 0.733 1
1 376 . 4 1 1 A 38 38 GLY N N 38 106.329 107.724 -1.395 1
1 377 . 4 1 1 A 38 38 GLY H H 38 9.506 7.875 1.631 1
1 378 . 4 1 1 A 38 38 GLY CA C 38 45.290 45.508 -0.218 1
1 379 . 4 1 1 A 38 38 GLY HA3 H 38 4.156 4.024 0.132 1
1 380 . 4 1 1 A 38 38 GLY C C 38 174.483 174.326 0.157 1
1 381 . 4 1 1 A 38 38 GLY HA2 H 38 3.617 4.012 -0.395 1
1 382 . 4 1 1 A 39 39 ALA N N 39 124.015 123.411 0.604 1
1 383 . 4 1 1 A 39 39 ALA H H 39 7.483 7.913 -0.430 1
1 384 . 4 1 1 A 39 39 ALA CA C 39 52.396 51.421 0.975 1
1 385 . 4 1 1 A 39 39 ALA HA H 39 4.280 4.372 -0.092 1
1 386 . 4 1 1 A 39 39 ALA CB C 39 20.424 19.805 0.619 1
1 390 . 4 1 1 A 39 39 ALA C C 39 176.275 177.504 -1.229 1
1 391 . 4 1 1 A 40 40 LYS N N 40 119.513 120.343 -0.830 1
1 392 . 4 1 1 A 40 40 LYS H H 40 8.685 8.831 -0.146 1
1 393 . 4 1 1 A 40 40 LYS CA C 40 54.696 55.122 -0.426 1
1 394 . 4 1 1 A 40 40 LYS HA H 40 4.811 5.122 -0.311 1
1 395 . 4 1 1 A 40 40 LYS CB C 40 34.324 35.217 -0.893 1
1 403 . 4 1 1 A 40 40 LYS C C 40 176.004 175.628 0.376 1
1 408 . 4 1 1 A 41 41 GLY N N 41 111.941 107.436 4.505 1
1 409 . 4 1 1 A 41 41 GLY H H 41 8.398 8.369 0.029 1
1 410 . 4 1 1 A 41 41 GLY CA C 41 45.887 45.985 -0.098 1
1 411 . 4 1 1 A 41 41 GLY HA3 H 41 3.722 4.119 -0.397 1
1 412 . 4 1 1 A 41 41 GLY C C 41 171.021 171.111 -0.090 1
1 413 . 4 1 1 A 41 41 GLY HA2 H 41 3.722 3.841 -0.119 1
1 414 . 4 1 1 A 42 42 LYS N N 42 119.600 122.925 -3.325 1
1 415 . 4 1 1 A 42 42 LYS H H 42 7.293 7.684 -0.391 1
1 416 . 4 1 1 A 42 42 LYS CA C 42 54.522 55.011 -0.489 1
1 417 . 4 1 1 A 42 42 LYS HA H 42 4.467 4.829 -0.362 1
1 418 . 4 1 1 A 42 42 LYS CB C 42 34.979 36.256 -1.277 1
1 426 . 4 1 1 A 42 42 LYS C C 42 175.675 173.792 1.883 1
1 431 . 4 1 1 A 43 43 ILE N N 43 127.421 127.848 -0.427 1
1 432 . 4 1 1 A 43 43 ILE H H 43 8.706 8.861 -0.155 1
1 433 . 4 1 1 A 43 43 ILE CA C 43 60.336 60.273 0.063 1
1 434 . 4 1 1 A 43 43 ILE HA H 43 4.695 4.742 -0.047 1
1 435 . 4 1 1 A 43 43 ILE CB C 43 39.322 38.213 1.109 1
1 447 . 4 1 1 A 43 43 ILE C C 43 174.542 174.292 0.250 1
1 449 . 4 1 1 A 44 44 ASP N N 44 127.995 127.520 0.475 1
1 450 . 4 1 1 A 44 44 ASP H H 44 8.861 8.887 -0.026 1
1 451 . 4 1 1 A 44 44 ASP CA C 44 53.245 52.981 0.264 1
1 452 . 4 1 1 A 44 44 ASP HA H 44 4.817 5.297 -0.480 1
1 453 . 4 1 1 A 44 44 ASP CB C 44 44.577 43.063 1.514 1
1 455 . 4 1 1 A 44 44 ASP C C 44 173.768 174.782 -1.014 1
1 457 . 4 1 1 A 45 45 ALA N N 45 127.601 126.085 1.516 1
1 458 . 4 1 1 A 45 45 ALA H H 45 8.819 9.061 -0.242 1
1 459 . 4 1 1 A 45 45 ALA CA C 45 50.180 50.585 -0.405 1
1 460 . 4 1 1 A 45 45 ALA HA H 45 5.859 5.254 0.605 1
1 461 . 4 1 1 A 45 45 ALA CB C 45 21.379 21.853 -0.474 1
1 465 . 4 1 1 A 45 45 ALA C C 45 175.393 175.926 -0.533 1
1 466 . 4 1 1 A 46 46 LYS N N 46 122.427 122.350 0.077 1
1 467 . 4 1 1 A 46 46 LYS H H 46 8.723 8.309 0.414 1
1 468 . 4 1 1 A 46 46 LYS CA C 46 55.090 54.800 0.290 1
1 469 . 4 1 1 A 46 46 LYS HA H 46 5.057 5.027 0.030 1
1 470 . 4 1 1 A 46 46 LYS CB C 46 37.534 36.621 0.913 1
1 478 . 4 1 1 A 46 46 LYS C C 46 173.473 174.599 -1.126 1
1 483 . 4 1 1 A 47 47 VAL N N 47 120.177 122.639 -2.462 1
1 484 . 4 1 1 A 47 47 VAL H H 47 8.989 8.689 0.300 1
1 485 . 4 1 1 A 47 47 VAL CA C 47 59.152 60.394 -1.242 1
1 486 . 4 1 1 A 47 47 VAL HA H 47 4.875 4.686 0.189 1
1 487 . 4 1 1 A 47 47 VAL CB C 47 34.502 33.990 0.512 1
1 497 . 4 1 1 A 47 47 VAL C C 47 173.786 174.377 -0.591 1
1 498 . 4 1 1 A 48 48 HIS N N 48 127.949 126.078 1.871 1
1 499 . 4 1 1 A 48 48 HIS H H 48 9.661 9.089 0.572 1
1 500 . 4 1 1 A 48 48 HIS CA C 48 53.917 54.295 -0.378 1
1 501 . 4 1 1 A 48 48 HIS HA H 48 5.238 5.413 -0.175 1
1 502 . 4 1 1 A 48 48 HIS CB C 48 30.549 33.847 -3.298 1
1 508 . 4 1 1 A 48 48 HIS C C 48 175.556 174.095 1.461 1
1 510 . 4 1 1 A 49 49 SER N N 49 121.639 115.426 6.213 1
1 511 . 4 1 1 A 49 49 SER H H 49 9.114 8.439 0.675 1
1 512 . 4 1 1 A 49 49 SER CA C 49 56.693 55.260 1.433 1
1 513 . 4 1 1 A 49 49 SER HA H 49 4.391 4.989 -0.598 1
1 514 . 4 1 1 A 49 49 SER CB C 49 63.160 66.063 -2.903 1
1 516 . 4 1 1 A 49 49 SER C C 49 174.390 173.670 0.720 1
1 518 . 4 1 1 A 50 50 PRO CA C 50 65.732 64.168 1.564 1
1 519 . 4 1 1 A 50 50 PRO HA H 50 4.247 4.505 -0.258 1
1 520 . 4 1 1 A 50 50 PRO CB C 50 31.516 31.682 -0.166 1
1 526 . 4 1 1 A 50 50 PRO C C 50 177.969 177.365 0.604 1
1 530 . 4 1 1 A 51 51 SER N N 51 110.808 112.659 -1.851 1
1 531 . 4 1 1 A 51 51 SER H H 51 8.539 7.671 0.868 1
1 532 . 4 1 1 A 51 51 SER CA C 51 59.311 58.109 1.202 1
1 533 . 4 1 1 A 51 51 SER HA H 51 4.331 4.595 -0.264 1
1 534 . 4 1 1 A 51 51 SER CB C 51 62.767 63.393 -0.626 1
1 536 . 4 1 1 A 51 51 SER C C 51 175.339 174.691 0.648 1
1 538 . 4 1 1 A 52 52 GLY N N 52 110.692 110.224 0.468 1
1 539 . 4 1 1 A 52 52 GLY H H 52 8.181 8.027 0.154 1
1 540 . 4 1 1 A 52 52 GLY CA C 52 44.862 46.180 -1.318 1
1 541 . 4 1 1 A 52 52 GLY HA3 H 52 4.444 4.002 0.442 1
1 542 . 4 1 1 A 52 52 GLY C C 52 174.389 174.376 0.013 1
1 543 . 4 1 1 A 52 52 GLY HA2 H 52 3.634 3.985 -0.351 1
1 544 . 4 1 1 A 53 53 ALA N N 53 124.417 122.539 1.878 1
1 545 . 4 1 1 A 53 53 ALA H H 53 7.419 7.767 -0.348 1
1 546 . 4 1 1 A 53 53 ALA CA C 53 52.538 50.554 1.984 1
1 547 . 4 1 1 A 53 53 ALA HA H 53 4.373 4.800 -0.427 1
1 548 . 4 1 1 A 53 53 ALA CB C 53 19.207 22.490 -3.283 1
1 552 . 4 1 1 A 53 53 ALA C C 53 176.519 175.683 0.836 1
1 553 . 4 1 1 A 54 54 VAL N N 54 121.228 120.540 0.688 1
1 554 . 4 1 1 A 54 54 VAL H H 54 8.429 8.864 -0.435 1
1 555 . 4 1 1 A 54 54 VAL CA C 54 60.672 61.198 -0.526 1
1 556 . 4 1 1 A 54 54 VAL HA H 54 4.980 4.533 0.447 1
1 557 . 4 1 1 A 54 54 VAL CB C 54 33.933 34.521 -0.588 1
1 567 . 4 1 1 A 54 54 VAL C C 54 175.443 174.644 0.799 1
1 568 . 4 1 1 A 55 55 GLU N N 55 126.290 126.854 -0.564 1
1 569 . 4 1 1 A 55 55 GLU H H 55 8.640 8.782 -0.142 1
1 570 . 4 1 1 A 55 55 GLU CA C 55 54.306 54.744 -0.438 1
1 571 . 4 1 1 A 55 55 GLU HA H 55 4.754 4.846 -0.092 1
1 572 . 4 1 1 A 55 55 GLU CB C 55 33.612 32.634 0.978 1
1 576 . 4 1 1 A 55 55 GLU C C 55 175.073 174.692 0.381 1
1 579 . 4 1 1 A 56 56 GLU N N 56 123.200 122.748 0.452 1
1 580 . 4 1 1 A 56 56 GLU H H 56 8.878 8.827 0.051 1
1 581 . 4 1 1 A 56 56 GLU CA C 56 56.966 55.050 1.916 1
1 582 . 4 1 1 A 56 56 GLU HA H 56 4.479 5.036 -0.557 1
1 583 . 4 1 1 A 56 56 GLU CB C 56 30.258 32.651 -2.393 1
1 587 . 4 1 1 A 56 56 GLU C C 56 177.592 175.136 2.456 1
1 590 . 4 1 1 A 57 57 CYS N N 57 121.919 125.670 -3.751 1
1 591 . 4 1 1 A 57 57 CYS H H 57 8.496 8.673 -0.177 1
1 592 . 4 1 1 A 57 57 CYS CA C 57 59.030 57.619 1.411 1
1 593 . 4 1 1 A 57 57 CYS HA H 57 4.690 5.031 -0.341 1
1 594 . 4 1 1 A 57 57 CYS CB C 57 29.620 28.025 1.595 1
1 596 . 4 1 1 A 57 57 CYS C C 57 173.871 174.247 -0.376 1
1 598 . 4 1 1 A 58 58 HIS N N 58 123.415 124.982 -1.567 1
1 599 . 4 1 1 A 58 58 HIS H H 58 8.961 8.582 0.379 1
1 600 . 4 1 1 A 58 58 HIS CA C 58 56.751 56.782 -0.031 1
1 601 . 4 1 1 A 58 58 HIS HA H 58 4.725 4.556 0.169 1
1 602 . 4 1 1 A 58 58 HIS CB C 58 31.813 29.927 1.886 1
1 608 . 4 1 1 A 58 58 HIS C C 58 174.903 173.474 1.429 1
1 610 . 4 1 1 A 59 59 VAL N N 59 128.900 129.250 -0.350 1
1 611 . 4 1 1 A 59 59 VAL H H 59 8.521 8.893 -0.372 1
1 612 . 4 1 1 A 59 59 VAL CA C 59 61.131 61.059 0.072 1
1 613 . 4 1 1 A 59 59 VAL HA H 59 5.142 4.710 0.432 1
1 614 . 4 1 1 A 59 59 VAL CB C 59 33.825 32.758 1.067 1
1 624 . 4 1 1 A 59 59 VAL C C 59 175.539 174.341 1.198 1
1 625 . 4 1 1 A 60 60 SER N N 60 120.428 122.811 -2.383 1
1 626 . 4 1 1 A 60 60 SER H H 60 8.995 8.700 0.295 1
1 627 . 4 1 1 A 60 60 SER CA C 60 56.782 56.252 0.530 1
1 628 . 4 1 1 A 60 60 SER HA H 60 4.823 5.028 -0.205 1
1 629 . 4 1 1 A 60 60 SER CB C 60 65.880 64.751 1.129 1
1 631 . 4 1 1 A 60 60 SER C C 60 172.353 172.772 -0.419 1
1 633 . 4 1 1 A 61 61 GLU N N 61 125.163 127.598 -2.435 1
1 634 . 4 1 1 A 61 61 GLU H H 61 8.894 8.718 0.176 1
1 635 . 4 1 1 A 61 61 GLU CA C 61 57.081 55.393 1.688 1
1 636 . 4 1 1 A 61 61 GLU HA H 61 3.545 3.981 -0.436 1
1 637 . 4 1 1 A 61 61 GLU CB C 61 30.675 29.166 1.509 1
1 641 . 4 1 1 A 61 61 GLU C C 61 176.353 175.160 1.193 1
1 644 . 4 1 1 A 62 62 LEU N N 62 129.563 128.703 0.860 1
1 645 . 4 1 1 A 62 62 LEU H H 62 8.800 8.746 0.054 1
1 646 . 4 1 1 A 62 62 LEU CA C 62 56.462 55.993 0.469 1
1 647 . 4 1 1 A 62 62 LEU HA H 62 4.341 4.315 0.026 1
1 648 . 4 1 1 A 62 62 LEU CB C 62 44.020 42.720 1.300 1
1 660 . 4 1 1 A 62 62 LEU C C 62 176.662 176.845 -0.183 1
1 662 . 4 1 1 A 63 63 GLU N N 63 117.143 118.106 -0.963 1
1 663 . 4 1 1 A 63 63 GLU H H 63 8.292 7.452 0.840 1
1 664 . 4 1 1 A 63 63 GLU CA C 63 53.777 53.136 0.641 1
1 665 . 4 1 1 A 63 63 GLU HA H 63 4.655 4.686 -0.031 1
1 666 . 4 1 1 A 63 63 GLU CB C 63 29.768 31.129 -1.361 1
1 670 . 4 1 1 A 63 63 GLU C C 63 172.058 176.105 -4.047 1
1 673 . 4 1 1 A 64 64 PRO CA C 64 65.767 64.378 1.389 1
1 674 . 4 1 1 A 64 64 PRO HA H 64 4.227 4.514 -0.287 1
1 675 . 4 1 1 A 64 64 PRO CB C 64 31.005 31.885 -0.880 1
1 681 . 4 1 1 A 64 64 PRO C C 64 177.068 176.400 0.668 1
1 685 . 4 1 1 A 65 65 ASP N N 65 118.425 116.795 1.630 1
1 686 . 4 1 1 A 65 65 ASP H H 65 8.965 8.385 0.580 1
1 687 . 4 1 1 A 65 65 ASP CA C 65 55.827 54.104 1.723 1
1 688 . 4 1 1 A 65 65 ASP HA H 65 4.589 4.938 -0.349 1
1 689 . 4 1 1 A 65 65 ASP CB C 65 43.713 42.751 0.962 1
1 691 . 4 1 1 A 65 65 ASP C C 65 174.921 175.227 -0.306 1
1 693 . 4 1 1 A 66 66 LYS N N 66 120.940 119.719 1.221 1
1 694 . 4 1 1 A 66 66 LYS H H 66 8.476 7.505 0.971 1
1 695 . 4 1 1 A 66 66 LYS CA C 66 55.938 55.699 0.239 1
1 696 . 4 1 1 A 66 66 LYS HA H 66 5.476 5.122 0.354 1
1 697 . 4 1 1 A 66 66 LYS CB C 66 36.812 35.883 0.929 1
1 705 . 4 1 1 A 66 66 LYS C C 66 173.912 174.188 -0.276 1
1 710 . 4 1 1 A 67 67 TYR N N 67 126.047 123.383 2.664 1
1 711 . 4 1 1 A 67 67 TYR H H 67 9.291 8.967 0.324 1
1 712 . 4 1 1 A 67 67 TYR CA C 67 56.589 56.385 0.204 1
1 713 . 4 1 1 A 67 67 TYR HA H 67 5.136 5.304 -0.168 1
1 714 . 4 1 1 A 67 67 TYR CB C 67 41.933 43.577 -1.644 1
1 724 . 4 1 1 A 67 67 TYR C C 67 174.424 174.240 0.184 1
1 726 . 4 1 1 A 68 68 ALA N N 68 123.234 122.882 0.352 1
1 727 . 4 1 1 A 68 68 ALA H H 68 9.393 8.458 0.935 1
1 728 . 4 1 1 A 68 68 ALA CA C 68 50.620 50.711 -0.091 1
1 729 . 4 1 1 A 68 68 ALA HA H 68 5.002 5.289 -0.287 1
1 730 . 4 1 1 A 68 68 ALA CB C 68 21.211 22.522 -1.311 1
1 734 . 4 1 1 A 68 68 ALA C C 68 176.258 175.922 0.336 1
1 735 . 4 1 1 A 69 69 VAL N N 69 121.910 122.401 -0.491 1
1 736 . 4 1 1 A 69 69 VAL H H 69 8.412 8.834 -0.422 1
1 737 . 4 1 1 A 69 69 VAL CA C 69 61.147 61.324 -0.177 1
1 738 . 4 1 1 A 69 69 VAL HA H 69 4.587 4.774 -0.187 1
1 739 . 4 1 1 A 69 69 VAL CB C 69 32.409 33.918 -1.509 1
1 749 . 4 1 1 A 69 69 VAL C C 69 174.300 173.717 0.583 1
1 750 . 4 1 1 A 70 70 ARG N N 70 125.218 129.663 -4.445 1
1 751 . 4 1 1 A 70 70 ARG H H 70 8.926 9.195 -0.269 1
1 752 . 4 1 1 A 70 70 ARG CA C 70 54.404 54.972 -0.568 1
1 753 . 4 1 1 A 70 70 ARG HA H 70 5.665 4.950 0.715 1
1 754 . 4 1 1 A 70 70 ARG CB C 70 34.966 31.802 3.164 1
1 760 . 4 1 1 A 70 70 ARG C C 70 175.124 175.169 -0.045 1
1 764 . 4 1 1 A 71 71 PHE N N 71 120.657 120.164 0.493 1
1 765 . 4 1 1 A 71 71 PHE H H 71 8.780 8.891 -0.111 1
1 766 . 4 1 1 A 71 71 PHE CA C 71 55.969 56.084 -0.115 1
1 767 . 4 1 1 A 71 71 PHE HA H 71 5.082 5.040 0.042 1
1 768 . 4 1 1 A 71 71 PHE CB C 71 41.335 41.039 0.296 1
1 780 . 4 1 1 A 71 71 PHE C C 71 171.920 172.036 -0.116 1
1 782 . 4 1 1 A 72 72 ILE N N 72 120.347 121.883 -1.536 1
1 783 . 4 1 1 A 72 72 ILE H H 72 8.714 8.855 -0.141 1
1 784 . 4 1 1 A 72 72 ILE CA C 72 57.669 57.814 -0.145 1
1 785 . 4 1 1 A 72 72 ILE HA H 72 4.469 4.335 0.134 1
1 786 . 4 1 1 A 72 72 ILE CB C 72 39.824 38.228 1.596 1
1 798 . 4 1 1 A 72 72 ILE C C 72 173.612 174.649 -1.037 1
1 800 . 4 1 1 A 73 73 PRO CA C 73 62.050 62.149 -0.099 1
1 801 . 4 1 1 A 73 73 PRO HA H 73 4.493 4.747 -0.254 1
1 802 . 4 1 1 A 73 73 PRO CB C 73 33.680 28.987 4.693 1
1 808 . 4 1 1 A 73 73 PRO C C 73 176.990 175.365 1.625 1
1 812 . 4 1 1 A 74 74 HIS N N 74 119.655 117.644 2.011 1
1 813 . 4 1 1 A 74 74 HIS H H 74 10.240 8.621 1.619 1
1 814 . 4 1 1 A 74 74 HIS CA C 74 54.660 53.803 0.857 1
1 815 . 4 1 1 A 74 74 HIS HA H 74 5.035 5.683 -0.648 1
1 816 . 4 1 1 A 74 74 HIS CB C 74 30.530 31.653 -1.123 1
1 822 . 4 1 1 A 74 74 HIS C C 74 173.624 174.121 -0.497 1
1 824 . 4 1 1 A 75 75 GLU N N 75 118.178 123.249 -5.071 1
1 825 . 4 1 1 A 75 75 GLU H H 75 7.772 8.821 -1.049 1
1 826 . 4 1 1 A 75 75 GLU CA C 75 54.166 54.305 -0.139 1
1 827 . 4 1 1 A 75 75 GLU HA H 75 4.654 4.848 -0.194 1
1 828 . 4 1 1 A 75 75 GLU CB C 75 33.422 33.545 -0.123 1
1 832 . 4 1 1 A 75 75 GLU C C 75 173.599 175.484 -1.885 1
1 835 . 4 1 1 A 76 76 ASN N N 76 116.760 117.009 -0.249 1
1 836 . 4 1 1 A 76 76 ASN H H 76 8.530 8.484 0.046 1
1 837 . 4 1 1 A 76 76 ASN CA C 76 53.486 51.736 1.750 1
1 838 . 4 1 1 A 76 76 ASN HA H 76 4.606 5.136 -0.530 1
1 839 . 4 1 1 A 76 76 ASN CB C 76 40.184 39.010 1.174 1
1 844 . 4 1 1 A 76 76 ASN C C 76 175.598 175.047 0.551 1
1 846 . 4 1 1 A 77 77 GLY N N 77 106.497 108.231 -1.734 1
1 847 . 4 1 1 A 77 77 GLY H H 77 9.152 7.499 1.653 1
1 848 . 4 1 1 A 77 77 GLY CA C 77 43.752 46.218 -2.466 1
1 849 . 4 1 1 A 77 77 GLY HA3 H 77 4.797 4.147 0.650 1
1 850 . 4 1 1 A 77 77 GLY C C 77 176.329 171.826 4.503 1
1 851 . 4 1 1 A 77 77 GLY HA2 H 77 3.897 4.124 -0.227 1
1 852 . 4 1 1 A 78 78 VAL N N 78 124.582 122.300 2.282 1
1 853 . 4 1 1 A 78 78 VAL H H 78 9.334 8.332 1.002 1
1 854 . 4 1 1 A 78 78 VAL CA C 78 64.642 60.673 3.969 1
1 855 . 4 1 1 A 78 78 VAL HA H 78 4.399 5.028 -0.629 1
1 856 . 4 1 1 A 78 78 VAL CB C 78 31.464 34.261 -2.797 1
1 866 . 4 1 1 A 78 78 VAL C C 78 176.269 175.222 1.047 1
1 867 . 4 1 1 A 79 79 HIS N N 79 129.160 126.079 3.081 1
1 868 . 4 1 1 A 79 79 HIS H H 79 9.854 9.208 0.646 1
1 869 . 4 1 1 A 79 79 HIS CA C 79 55.150 56.094 -0.944 1
1 870 . 4 1 1 A 79 79 HIS HA H 79 4.921 5.456 -0.535 1
1 871 . 4 1 1 A 79 79 HIS CB C 79 30.772 32.034 -1.262 1
1 877 . 4 1 1 A 79 79 HIS C C 79 174.062 175.158 -1.096 1
1 879 . 4 1 1 A 80 80 THR N N 80 116.006 115.367 0.639 1
1 880 . 4 1 1 A 80 80 THR H H 80 8.526 8.808 -0.282 1
1 881 . 4 1 1 A 80 80 THR CA C 80 60.983 61.783 -0.800 1
1 882 . 4 1 1 A 80 80 THR HA H 80 5.380 5.210 0.170 1
1 883 . 4 1 1 A 80 80 THR CB C 80 70.590 71.641 -1.051 1
1 889 . 4 1 1 A 80 80 THR C C 80 173.671 173.305 0.366 1
1 890 . 4 1 1 A 81 81 ILE N N 81 127.414 129.022 -1.608 1
1 891 . 4 1 1 A 81 81 ILE H H 81 9.745 9.623 0.122 1
1 892 . 4 1 1 A 81 81 ILE CA C 81 60.037 60.280 -0.243 1
1 893 . 4 1 1 A 81 81 ILE HA H 81 4.867 4.781 0.086 1
1 894 . 4 1 1 A 81 81 ILE CB C 81 39.883 39.008 0.875 1
1 906 . 4 1 1 A 81 81 ILE C C 81 175.279 173.934 1.345 1
1 908 . 4 1 1 A 82 82 ASP N N 82 128.375 128.763 -0.388 1
1 909 . 4 1 1 A 82 82 ASP H H 82 9.157 8.889 0.268 1
1 910 . 4 1 1 A 82 82 ASP CA C 82 53.084 53.102 -0.018 1
1 911 . 4 1 1 A 82 82 ASP HA H 82 5.060 4.905 0.155 1
1 912 . 4 1 1 A 82 82 ASP CB C 82 42.929 42.013 0.916 1
1 914 . 4 1 1 A 82 82 ASP C C 82 175.923 175.060 0.863 1
1 916 . 4 1 1 A 83 83 VAL N N 83 125.651 126.208 -0.557 1
1 917 . 4 1 1 A 83 83 VAL H H 83 9.897 8.614 1.283 1
1 918 . 4 1 1 A 83 83 VAL CA C 83 62.407 61.633 0.774 1
1 919 . 4 1 1 A 83 83 VAL HA H 83 4.553 4.604 -0.051 1
1 920 . 4 1 1 A 83 83 VAL CB C 83 33.233 32.320 0.913 1
1 930 . 4 1 1 A 83 83 VAL C C 83 173.327 174.907 -1.580 1
1 931 . 4 1 1 A 84 84 LYS N N 84 124.405 127.276 -2.871 1
1 932 . 4 1 1 A 84 84 LYS H H 84 8.874 8.677 0.197 1
1 933 . 4 1 1 A 84 84 LYS CA C 84 53.901 54.629 -0.728 1
1 934 . 4 1 1 A 84 84 LYS HA H 84 5.065 4.814 0.251 1
1 935 . 4 1 1 A 84 84 LYS CB C 84 36.851 34.858 1.993 1
1 943 . 4 1 1 A 84 84 LYS C C 84 174.760 175.096 -0.336 1
1 948 . 4 1 1 A 85 85 PHE N N 85 120.871 124.306 -3.435 1
1 949 . 4 1 1 A 85 85 PHE H H 85 9.167 9.261 -0.094 1
1 950 . 4 1 1 A 85 85 PHE CA C 85 56.014 57.510 -1.496 1
1 951 . 4 1 1 A 85 85 PHE HA H 85 5.157 5.024 0.133 1
1 952 . 4 1 1 A 85 85 PHE CB C 85 42.916 41.866 1.050 1
1 964 . 4 1 1 A 85 85 PHE C C 85 175.473 174.902 0.571 1
1 966 . 4 1 1 A 86 86 ASN N N 86 126.732 125.457 1.275 1
1 967 . 4 1 1 A 86 86 ASN H H 86 8.714 9.075 -0.361 1
1 968 . 4 1 1 A 86 86 ASN CA C 86 53.835 53.915 -0.080 1
1 969 . 4 1 1 A 86 86 ASN HA H 86 4.216 4.251 -0.035 1
1 970 . 4 1 1 A 86 86 ASN CB C 86 36.789 37.297 -0.508 1
1 975 . 4 1 1 A 86 86 ASN C C 86 175.700 174.661 1.039 1
1 977 . 4 1 1 A 87 87 GLY N N 87 102.449 105.190 -2.741 1
1 978 . 4 1 1 A 87 87 GLY H H 87 8.986 8.642 0.344 1
1 979 . 4 1 1 A 87 87 GLY CA C 87 45.490 46.518 -1.028 1
1 980 . 4 1 1 A 87 87 GLY HA3 H 87 4.223 3.963 0.260 1
1 981 . 4 1 1 A 87 87 GLY C C 87 174.149 173.590 0.559 1
1 982 . 4 1 1 A 87 87 GLY HA2 H 87 3.555 3.950 -0.395 1
1 983 . 4 1 1 A 88 88 SER N N 88 116.260 113.658 2.602 1
1 984 . 4 1 1 A 88 88 SER H H 88 7.670 7.766 -0.096 1
1 985 . 4 1 1 A 88 88 SER CA C 88 57.194 57.682 -0.488 1
1 986 . 4 1 1 A 88 88 SER HA H 88 4.935 4.792 0.143 1
1 987 . 4 1 1 A 88 88 SER CB C 88 65.421 66.425 -1.004 1
1 989 . 4 1 1 A 88 88 SER C C 88 173.491 173.210 0.281 1
1 991 . 4 1 1 A 89 89 HIS N N 89 124.290 125.776 -1.486 1
1 992 . 4 1 1 A 89 89 HIS H H 89 8.847 9.022 -0.175 1
1 993 . 4 1 1 A 89 89 HIS CA C 89 59.048 56.845 2.203 1
1 994 . 4 1 1 A 89 89 HIS HA H 89 4.543 4.836 -0.293 1
1 995 . 4 1 1 A 89 89 HIS CB C 89 32.463 29.724 2.739 1
1 1001 . 4 1 1 A 89 89 HIS C C 89 177.441 175.456 1.985 1
1 1003 . 4 1 1 A 90 90 VAL N N 90 116.253 122.226 -5.973 1
1 1004 . 4 1 1 A 90 90 VAL H H 90 8.283 8.062 0.221 1
1 1005 . 4 1 1 A 90 90 VAL CA C 90 60.279 62.334 -2.055 1
1 1006 . 4 1 1 A 90 90 VAL HA H 90 4.291 4.344 -0.053 1
1 1007 . 4 1 1 A 90 90 VAL CB C 90 31.601 33.220 -1.619 1
1 1017 . 4 1 1 A 90 90 VAL C C 90 176.074 175.813 0.261 1
1 1018 . 4 1 1 A 91 91 VAL N N 91 123.139 119.621 3.518 1
1 1019 . 4 1 1 A 91 91 VAL H H 91 8.910 8.403 0.507 1
1 1020 . 4 1 1 A 91 91 VAL CA C 91 66.030 63.142 2.888 1
1 1021 . 4 1 1 A 91 91 VAL HA H 91 3.632 3.925 -0.293 1
1 1022 . 4 1 1 A 91 91 VAL CB C 91 30.897 31.616 -0.719 1
1 1032 . 4 1 1 A 91 91 VAL C C 91 177.012 176.286 0.726 1
1 1033 . 4 1 1 A 92 92 GLY N N 92 116.727 114.691 2.036 1
1 1034 . 4 1 1 A 92 92 GLY H H 92 8.396 8.722 -0.326 1
1 1035 . 4 1 1 A 92 92 GLY CA C 92 44.466 45.838 -1.372 1
1 1036 . 4 1 1 A 92 92 GLY HA3 H 92 4.180 3.734 0.446 1
1 1037 . 4 1 1 A 92 92 GLY C C 92 172.077 172.707 -0.630 1
1 1038 . 4 1 1 A 92 92 GLY HA2 H 92 3.221 3.666 -0.445 1
1 1039 . 4 1 1 A 93 93 SER N N 93 112.885 114.771 -1.886 1
1 1040 . 4 1 1 A 93 93 SER H H 93 7.484 7.431 0.053 1
1 1041 . 4 1 1 A 93 93 SER CA C 93 54.547 54.431 0.116 1
1 1042 . 4 1 1 A 93 93 SER HA H 93 4.065 4.045 0.020 1
1 1043 . 4 1 1 A 93 93 SER CB C 93 62.575 65.218 -2.643 1
1 1045 . 4 1 1 A 93 93 SER C C 93 174.608 172.306 2.302 1
1 1047 . 4 1 1 A 94 94 PRO CA C 94 62.477 62.256 0.221 1
1 1048 . 4 1 1 A 94 94 PRO HA H 94 5.491 4.653 0.838 1
1 1049 . 4 1 1 A 94 94 PRO CB C 94 34.106 32.812 1.294 1
1 1055 . 4 1 1 A 94 94 PRO C C 94 176.779 174.883 1.896 1
1 1059 . 4 1 1 A 95 95 PHE N N 95 123.133 119.432 3.701 1
1 1060 . 4 1 1 A 95 95 PHE H H 95 9.200 8.468 0.732 1
1 1061 . 4 1 1 A 95 95 PHE CA C 95 57.291 56.658 0.633 1
1 1062 . 4 1 1 A 95 95 PHE HA H 95 4.581 5.115 -0.534 1
1 1063 . 4 1 1 A 95 95 PHE CB C 95 41.165 41.881 -0.716 1
1 1075 . 4 1 1 A 95 95 PHE C C 95 175.687 174.798 0.889 1
1 1077 . 4 1 1 A 96 96 LYS N N 96 122.134 121.945 0.189 1
1 1078 . 4 1 1 A 96 96 LYS H H 96 8.790 8.737 0.053 1
1 1079 . 4 1 1 A 96 96 LYS CA C 96 55.249 55.030 0.219 1
1 1080 . 4 1 1 A 96 96 LYS HA H 96 5.276 5.665 -0.389 1
1 1081 . 4 1 1 A 96 96 LYS CB C 96 33.836 35.457 -1.621 1
1 1089 . 4 1 1 A 96 96 LYS C C 96 176.515 175.829 0.686 1
1 1094 . 4 1 1 A 97 97 VAL N N 97 117.706 118.167 -0.461 1
1 1095 . 4 1 1 A 97 97 VAL H H 97 8.873 8.625 0.248 1
1 1096 . 4 1 1 A 97 97 VAL CA C 97 59.188 59.472 -0.284 1
1 1097 . 4 1 1 A 97 97 VAL HA H 97 4.917 4.823 0.094 1
1 1098 . 4 1 1 A 97 97 VAL CB C 97 35.185 35.544 -0.359 1
1 1108 . 4 1 1 A 97 97 VAL C C 97 173.801 174.078 -0.277 1
1 1109 . 4 1 1 A 98 98 ARG N N 98 125.203 125.608 -0.405 1
1 1110 . 4 1 1 A 98 98 ARG H H 98 8.826 8.757 0.069 1
1 1111 . 4 1 1 A 98 98 ARG CA C 98 56.337 55.733 0.604 1
1 1112 . 4 1 1 A 98 98 ARG HA H 98 4.610 4.807 -0.197 1
1 1113 . 4 1 1 A 98 98 ARG CB C 98 32.031 31.549 0.482 1
1 1119 . 4 1 1 A 98 98 ARG C C 98 174.438 176.055 -1.617 1
1 1123 . 4 1 1 A 99 99 VAL N N 99 127.382 127.054 0.328 1
1 1124 . 4 1 1 A 99 99 VAL H H 99 8.144 8.821 -0.677 1
1 1125 . 4 1 1 A 99 99 VAL CA C 99 61.216 62.087 -0.871 1
1 1126 . 4 1 1 A 99 99 VAL HA H 99 4.115 4.451 -0.336 1
1 1127 . 4 1 1 A 99 99 VAL CB C 99 32.590 32.704 -0.114 1
1 1137 . 4 1 1 A 99 99 VAL C C 99 176.994 175.345 1.649 1
1 1138 . 4 1 1 A 100 100 GLY N N 100 117.424 114.960 2.464 1
1 1139 . 4 1 1 A 100 100 GLY H H 100 8.682 8.035 0.647 1
1 1140 . 4 1 1 A 100 100 GLY CA C 100 44.650 44.501 0.149 1
1 1141 . 4 1 1 A 100 100 GLY HA3 H 100 4.386 4.215 0.171 1
1 1142 . 4 1 1 A 100 100 GLY C C 100 173.180 173.180 0.000 1
1 1143 . 4 1 1 A 100 100 GLY HA2 H 100 3.954 4.205 -0.251 1
1 1144 . 4 1 1 A 101 101 GLU N N 101 119.495 120.608 -1.113 1
1 1145 . 4 1 1 A 101 101 GLU H H 101 8.383 8.461 -0.078 1
1 1146 . 4 1 1 A 101 101 GLU CA C 101 54.168 55.225 -1.057 1
1 1147 . 4 1 1 A 101 101 GLU HA H 101 4.661 4.409 0.252 1
1 1148 . 4 1 1 A 101 101 GLU CB C 101 29.836 29.364 0.472 1
1 1152 . 4 1 1 A 101 101 GLU C C 101 175.458 175.996 -0.538 1
1 1155 . 4 1 1 A 102 102 PRO CA C 102 63.897 62.927 0.970 1
1 1156 . 4 1 1 A 102 102 PRO HA H 102 4.361 4.766 -0.405 1
1 1157 . 4 1 1 A 102 102 PRO CB C 102 31.946 31.721 0.225 1
1 1163 . 4 1 1 A 102 102 PRO C C 102 177.509 176.344 1.165 1
1 1167 . 4 1 1 A 103 103 GLY N N 103 109.378 110.081 -0.703 1
1 1168 . 4 1 1 A 103 103 GLY H H 103 8.552 8.893 -0.341 1
1 1169 . 4 1 1 A 103 103 GLY CA C 103 45.263 45.066 0.197 1
1 1170 . 4 1 1 A 103 103 GLY HA3 H 103 3.962 3.996 -0.034 1
1 1171 . 4 1 1 A 103 103 GLY C C 103 174.277 172.044 2.233 1
1 1172 . 4 1 1 A 103 103 GLY HA2 H 103 3.962 3.995 -0.033 1
1 1173 . 4 1 1 A 104 104 GLN N N 104 119.735 123.315 -3.580 1
1 1174 . 4 1 1 A 104 104 GLN H H 104 8.096 8.740 -0.644 1
1 1175 . 4 1 1 A 104 104 GLN CA C 104 55.924 54.214 1.710 1
1 1176 . 4 1 1 A 104 104 GLN HA H 104 4.339 4.856 -0.517 1
1 1177 . 4 1 1 A 104 104 GLN CB C 104 29.622 30.756 -1.134 1
1 1184 . 4 1 1 A 104 104 GLN C C 104 175.669 175.445 0.224 1
1 1187 . 4 1 1 A 105 105 ALA N N 105 125.603 128.901 -3.298 1
1 1188 . 4 1 1 A 105 105 ALA H H 105 8.389 8.638 -0.249 1
1 1189 . 4 1 1 A 105 105 ALA CA C 105 52.416 52.616 -0.200 1
1 1190 . 4 1 1 A 105 105 ALA HA H 105 4.385 4.378 0.007 1
1 1191 . 4 1 1 A 105 105 ALA CB C 105 19.608 19.055 0.553 1
1 1195 . 4 1 1 A 105 105 ALA C C 105 176.971 177.715 -0.744 1
1 1 . 5 1 1 A 8 8 SER CA C 8 59.066 59.040 0.026 1
1 2 . 5 1 1 A 8 8 SER HA H 8 4.444 4.218 0.226 1
1 3 . 5 1 1 A 8 8 SER CB C 8 63.749 61.028 2.721 1
1 5 . 5 1 1 A 8 8 SER C C 8 174.832 173.137 1.695 1
1 7 . 5 1 1 A 9 9 ASP N N 9 122.244 120.698 1.546 1
1 8 . 5 1 1 A 9 9 ASP H H 9 8.460 7.718 0.742 1
1 9 . 5 1 1 A 9 9 ASP CA C 9 54.943 52.983 1.960 1
1 10 . 5 1 1 A 9 9 ASP HA H 9 4.730 5.206 -0.476 1
1 11 . 5 1 1 A 9 9 ASP CB C 9 41.125 43.359 -2.234 1
1 13 . 5 1 1 A 9 9 ASP C C 9 176.845 175.012 1.833 1
1 15 . 5 1 1 A 10 10 ASP N N 10 120.929 119.373 1.556 1
1 16 . 5 1 1 A 10 10 ASP H H 10 8.121 8.852 -0.731 1
1 17 . 5 1 1 A 10 10 ASP CA C 10 55.841 53.154 2.687 1
1 18 . 5 1 1 A 10 10 ASP HA H 10 4.523 5.321 -0.798 1
1 19 . 5 1 1 A 10 10 ASP CB C 10 41.834 41.640 0.194 1
1 21 . 5 1 1 A 10 10 ASP C C 10 177.047 176.480 0.567 1
1 23 . 5 1 1 A 11 11 ALA N N 11 122.815 122.567 0.248 1
1 24 . 5 1 1 A 11 11 ALA H H 11 8.520 8.307 0.213 1
1 25 . 5 1 1 A 11 11 ALA CA C 11 54.828 55.677 -0.849 1
1 26 . 5 1 1 A 11 11 ALA HA H 11 4.004 3.951 0.053 1
1 27 . 5 1 1 A 11 11 ALA CB C 11 19.454 18.562 0.892 1
1 31 . 5 1 1 A 11 11 ALA C C 11 179.280 180.031 -0.751 1
1 32 . 5 1 1 A 12 12 ARG N N 12 115.782 117.626 -1.844 1
1 33 . 5 1 1 A 12 12 ARG H H 12 8.159 8.073 0.086 1
1 34 . 5 1 1 A 12 12 ARG CA C 12 57.578 59.903 -2.325 1
1 35 . 5 1 1 A 12 12 ARG HA H 12 4.310 4.041 0.269 1
1 36 . 5 1 1 A 12 12 ARG CB C 12 29.817 30.079 -0.262 1
1 42 . 5 1 1 A 12 12 ARG C C 12 176.412 179.054 -2.642 1
1 46 . 5 1 1 A 13 13 ARG N N 13 117.438 120.351 -2.913 1
1 47 . 5 1 1 A 13 13 ARG H H 13 7.858 7.982 -0.124 1
1 48 . 5 1 1 A 13 13 ARG CA C 13 56.855 59.251 -2.396 1
1 49 . 5 1 1 A 13 13 ARG HA H 13 4.183 3.979 0.204 1
1 50 . 5 1 1 A 13 13 ARG CB C 13 30.976 29.956 1.020 1
1 56 . 5 1 1 A 13 13 ARG C C 13 176.451 177.265 -0.814 1
1 60 . 5 1 1 A 14 14 LEU N N 14 121.077 120.764 0.313 1
1 61 . 5 1 1 A 14 14 LEU H H 14 6.925 7.166 -0.241 1
1 62 . 5 1 1 A 14 14 LEU CA C 14 56.582 55.782 0.800 1
1 63 . 5 1 1 A 14 14 LEU HA H 14 4.394 4.104 0.290 1
1 64 . 5 1 1 A 14 14 LEU CB C 14 42.968 42.101 0.867 1
1 76 . 5 1 1 A 14 14 LEU C C 14 177.296 176.349 0.947 1
1 78 . 5 1 1 A 15 15 THR N N 15 115.028 119.690 -4.662 1
1 79 . 5 1 1 A 15 15 THR H H 15 8.716 8.717 -0.001 1
1 80 . 5 1 1 A 15 15 THR CA C 15 61.169 61.798 -0.629 1
1 81 . 5 1 1 A 15 15 THR HA H 15 4.667 5.044 -0.377 1
1 82 . 5 1 1 A 15 15 THR CB C 15 71.348 70.789 0.559 1
1 88 . 5 1 1 A 15 15 THR C C 15 173.454 173.129 0.325 1
1 89 . 5 1 1 A 16 16 VAL N N 16 126.736 127.661 -0.925 1
1 90 . 5 1 1 A 16 16 VAL H H 16 8.727 8.802 -0.075 1
1 91 . 5 1 1 A 16 16 VAL CA C 16 62.600 61.663 0.937 1
1 92 . 5 1 1 A 16 16 VAL HA H 16 4.539 4.539 0.000 1
1 93 . 5 1 1 A 16 16 VAL CB C 16 32.521 32.133 0.388 1
1 103 . 5 1 1 A 16 16 VAL C C 16 175.348 175.084 0.264 1
1 104 . 5 1 1 A 17 17 MET N N 17 126.444 124.739 1.705 1
1 105 . 5 1 1 A 17 17 MET H H 17 9.255 8.888 0.367 1
1 106 . 5 1 1 A 17 17 MET CA C 17 54.872 53.961 0.911 1
1 107 . 5 1 1 A 17 17 MET HA H 17 4.806 4.835 -0.029 1
1 108 . 5 1 1 A 17 17 MET CB C 17 35.443 36.050 -0.607 1
1 116 . 5 1 1 A 17 17 MET C C 17 174.681 176.182 -1.501 1
1 119 . 5 1 1 A 18 18 SER N N 18 112.443 117.475 -5.032 1
1 120 . 5 1 1 A 18 18 SER H H 18 8.568 8.964 -0.396 1
1 121 . 5 1 1 A 18 18 SER CA C 18 58.711 58.960 -0.249 1
1 122 . 5 1 1 A 18 18 SER HA H 18 4.018 4.121 -0.103 1
1 123 . 5 1 1 A 18 18 SER CB C 18 62.009 61.726 0.283 1
1 125 . 5 1 1 A 18 18 SER C C 18 173.373 173.960 -0.587 1
1 127 . 5 1 1 A 19 19 LEU N N 19 122.011 121.723 0.288 1
1 128 . 5 1 1 A 19 19 LEU H H 19 7.996 7.761 0.235 1
1 129 . 5 1 1 A 19 19 LEU CA C 19 54.978 54.234 0.744 1
1 130 . 5 1 1 A 19 19 LEU HA H 19 4.283 4.714 -0.431 1
1 131 . 5 1 1 A 19 19 LEU CB C 19 41.955 43.172 -1.217 1
1 143 . 5 1 1 A 19 19 LEU C C 19 176.135 175.309 0.826 1
1 145 . 5 1 1 A 20 20 GLN N N 20 127.739 126.930 0.809 1
1 146 . 5 1 1 A 20 20 GLN H H 20 8.669 8.721 -0.052 1
1 147 . 5 1 1 A 20 20 GLN CA C 20 55.617 55.810 -0.193 1
1 148 . 5 1 1 A 20 20 GLN HA H 20 4.400 4.537 -0.137 1
1 149 . 5 1 1 A 20 20 GLN CB C 20 29.298 30.228 -0.930 1
1 156 . 5 1 1 A 20 20 GLN C C 20 175.033 175.093 -0.060 1
1 159 . 5 1 1 A 21 21 GLU N N 21 121.152 123.110 -1.958 1
1 160 . 5 1 1 A 21 21 GLU H H 21 8.546 9.281 -0.735 1
1 161 . 5 1 1 A 21 21 GLU CA C 21 57.598 57.484 0.114 1
1 162 . 5 1 1 A 21 21 GLU HA H 21 4.310 4.538 -0.228 1
1 163 . 5 1 1 A 21 21 GLU CB C 21 30.764 31.547 -0.783 1
1 167 . 5 1 1 A 21 21 GLU C C 21 176.581 177.713 -1.132 1
1 170 . 5 1 1 A 22 22 SER N N 22 113.328 109.461 3.867 1
1 171 . 5 1 1 A 22 22 SER H H 22 8.018 8.035 -0.017 1
1 172 . 5 1 1 A 22 22 SER CA C 22 57.682 56.945 0.737 1
1 173 . 5 1 1 A 22 22 SER HA H 22 4.997 4.879 0.118 1
1 174 . 5 1 1 A 22 22 SER CB C 22 64.489 63.639 0.850 1
1 176 . 5 1 1 A 22 22 SER C C 22 174.062 174.873 -0.811 1
1 178 . 5 1 1 A 23 23 GLY N N 23 109.317 109.689 -0.372 1
1 179 . 5 1 1 A 23 23 GLY H H 23 8.828 7.836 0.992 1
1 180 . 5 1 1 A 23 23 GLY CA C 23 45.609 45.742 -0.133 1
1 181 . 5 1 1 A 23 23 GLY HA3 H 23 4.116 4.091 0.025 1
1 182 . 5 1 1 A 23 23 GLY C C 23 174.629 173.909 0.720 1
1 183 . 5 1 1 A 23 23 GLY HA2 H 23 3.832 4.088 -0.256 1
1 184 . 5 1 1 A 24 24 LEU N N 24 120.545 120.595 -0.050 1
1 185 . 5 1 1 A 24 24 LEU H H 24 7.559 7.356 0.203 1
1 186 . 5 1 1 A 24 24 LEU CA C 24 55.569 54.289 1.280 1
1 187 . 5 1 1 A 24 24 LEU HA H 24 4.310 4.538 -0.228 1
1 188 . 5 1 1 A 24 24 LEU CB C 24 42.978 42.251 0.727 1
1 200 . 5 1 1 A 24 24 LEU C C 24 176.704 175.876 0.828 1
1 202 . 5 1 1 A 25 25 LYS N N 25 122.188 119.719 2.469 1
1 203 . 5 1 1 A 25 25 LYS H H 25 8.828 8.537 0.291 1
1 204 . 5 1 1 A 25 25 LYS CA C 25 54.686 54.714 -0.028 1
1 205 . 5 1 1 A 25 25 LYS HA H 25 4.676 5.001 -0.325 1
1 206 . 5 1 1 A 25 25 LYS CB C 25 35.736 34.631 1.105 1
1 214 . 5 1 1 A 25 25 LYS C C 25 175.885 176.343 -0.458 1
1 219 . 5 1 1 A 26 26 VAL N N 26 121.689 125.139 -3.450 1
1 220 . 5 1 1 A 26 26 VAL H H 26 8.503 8.585 -0.082 1
1 221 . 5 1 1 A 26 26 VAL CA C 26 64.069 62.298 1.771 1
1 222 . 5 1 1 A 26 26 VAL HA H 26 3.218 4.067 -0.849 1
1 223 . 5 1 1 A 26 26 VAL CB C 26 31.636 32.191 -0.555 1
1 233 . 5 1 1 A 26 26 VAL C C 26 175.837 175.764 0.073 1
1 234 . 5 1 1 A 27 27 ASN N N 27 116.772 118.625 -1.853 1
1 235 . 5 1 1 A 27 27 ASN H H 27 8.682 9.012 -0.330 1
1 236 . 5 1 1 A 27 27 ASN CA C 27 55.183 54.453 0.730 1
1 237 . 5 1 1 A 27 27 ASN HA H 27 4.138 4.326 -0.188 1
1 238 . 5 1 1 A 27 27 ASN CB C 27 37.242 37.361 -0.119 1
1 243 . 5 1 1 A 27 27 ASN C C 27 173.308 173.983 -0.675 1
1 245 . 5 1 1 A 28 28 GLN N N 28 118.793 117.140 1.653 1
1 246 . 5 1 1 A 28 28 GLN H H 28 7.544 7.682 -0.138 1
1 247 . 5 1 1 A 28 28 GLN CA C 28 52.212 52.450 -0.238 1
1 248 . 5 1 1 A 28 28 GLN HA H 28 4.893 4.739 0.154 1
1 249 . 5 1 1 A 28 28 GLN CB C 28 30.060 30.675 -0.615 1
1 256 . 5 1 1 A 28 28 GLN C C 28 173.078 173.360 -0.282 1
1 259 . 5 1 1 A 29 29 PRO CA C 29 63.563 62.886 0.677 1
1 260 . 5 1 1 A 29 29 PRO HA H 29 4.294 4.680 -0.386 1
1 261 . 5 1 1 A 29 29 PRO CB C 29 31.874 31.768 0.106 1
1 267 . 5 1 1 A 29 29 PRO C C 29 175.250 175.903 -0.653 1
1 271 . 5 1 1 A 30 30 ALA N N 30 128.803 125.590 3.213 1
1 272 . 5 1 1 A 30 30 ALA H H 30 8.887 8.067 0.820 1
1 273 . 5 1 1 A 30 30 ALA CA C 30 50.558 50.708 -0.150 1
1 274 . 5 1 1 A 30 30 ALA HA H 30 4.539 4.862 -0.323 1
1 275 . 5 1 1 A 30 30 ALA CB C 30 21.602 21.557 0.045 1
1 279 . 5 1 1 A 30 30 ALA C C 30 175.510 175.727 -0.217 1
1 280 . 5 1 1 A 31 31 SER N N 31 112.512 116.162 -3.650 1
1 281 . 5 1 1 A 31 31 SER H H 31 8.214 8.892 -0.678 1
1 282 . 5 1 1 A 31 31 SER CA C 31 56.701 55.792 0.909 1
1 283 . 5 1 1 A 31 31 SER HA H 31 5.832 5.758 0.074 1
1 284 . 5 1 1 A 31 31 SER CB C 31 66.721 66.457 0.264 1
1 286 . 5 1 1 A 31 31 SER C C 31 173.379 173.792 -0.413 1
1 288 . 5 1 1 A 32 32 PHE N N 32 119.232 117.904 1.328 1
1 289 . 5 1 1 A 32 32 PHE H H 32 8.798 8.285 0.513 1
1 290 . 5 1 1 A 32 32 PHE CA C 32 56.218 55.492 0.726 1
1 291 . 5 1 1 A 32 32 PHE HA H 32 4.925 5.545 -0.620 1
1 292 . 5 1 1 A 32 32 PHE CB C 32 39.752 41.863 -2.111 1
1 304 . 5 1 1 A 32 32 PHE C C 32 172.709 172.638 0.071 1
1 306 . 5 1 1 A 33 33 ALA N N 33 122.788 122.041 0.747 1
1 307 . 5 1 1 A 33 33 ALA H H 33 8.827 8.930 -0.103 1
1 308 . 5 1 1 A 33 33 ALA CA C 33 50.616 50.113 0.503 1
1 309 . 5 1 1 A 33 33 ALA HA H 33 5.654 5.483 0.171 1
1 310 . 5 1 1 A 33 33 ALA CB C 33 22.616 21.520 1.096 1
1 314 . 5 1 1 A 33 33 ALA C C 33 175.770 175.794 -0.024 1
1 315 . 5 1 1 A 34 34 ILE N N 34 118.542 123.048 -4.506 1
1 316 . 5 1 1 A 34 34 ILE H H 34 9.194 8.983 0.211 1
1 317 . 5 1 1 A 34 34 ILE CA C 34 59.486 60.526 -1.040 1
1 318 . 5 1 1 A 34 34 ILE HA H 34 4.978 4.629 0.349 1
1 319 . 5 1 1 A 34 34 ILE CB C 34 42.577 38.992 3.585 1
1 331 . 5 1 1 A 34 34 ILE C C 34 174.924 174.609 0.315 1
1 333 . 5 1 1 A 35 35 ARG N N 35 126.774 128.676 -1.902 1
1 334 . 5 1 1 A 35 35 ARG H H 35 9.038 8.935 0.103 1
1 335 . 5 1 1 A 35 35 ARG CA C 35 54.096 56.372 -2.276 1
1 336 . 5 1 1 A 35 35 ARG HA H 35 5.283 4.706 0.577 1
1 337 . 5 1 1 A 35 35 ARG CB C 35 32.039 31.023 1.016 1
1 343 . 5 1 1 A 35 35 ARG C C 35 175.959 175.022 0.937 1
1 347 . 5 1 1 A 36 36 LEU N N 36 123.887 127.637 -3.750 1
1 348 . 5 1 1 A 36 36 LEU H H 36 8.648 8.645 0.003 1
1 349 . 5 1 1 A 36 36 LEU CA C 36 56.318 53.657 2.661 1
1 350 . 5 1 1 A 36 36 LEU HA H 36 4.037 4.767 -0.730 1
1 351 . 5 1 1 A 36 36 LEU CB C 36 41.028 42.828 -1.800 1
1 363 . 5 1 1 A 36 36 LEU C C 36 177.292 176.435 0.857 1
1 365 . 5 1 1 A 37 37 ASN N N 37 115.087 122.504 -7.417 1
1 366 . 5 1 1 A 37 37 ASN H H 37 8.594 8.936 -0.342 1
1 367 . 5 1 1 A 37 37 ASN CA C 37 54.182 53.008 1.174 1
1 368 . 5 1 1 A 37 37 ASN HA H 37 4.407 4.844 -0.437 1
1 369 . 5 1 1 A 37 37 ASN CB C 37 37.687 38.675 -0.988 1
1 374 . 5 1 1 A 37 37 ASN C C 37 176.277 175.725 0.552 1
1 376 . 5 1 1 A 38 38 GLY N N 38 106.329 107.630 -1.301 1
1 377 . 5 1 1 A 38 38 GLY H H 38 9.506 7.909 1.597 1
1 378 . 5 1 1 A 38 38 GLY CA C 38 45.290 45.525 -0.235 1
1 379 . 5 1 1 A 38 38 GLY HA3 H 38 4.156 4.013 0.143 1
1 380 . 5 1 1 A 38 38 GLY C C 38 174.483 174.133 0.350 1
1 381 . 5 1 1 A 38 38 GLY HA2 H 38 3.617 4.006 -0.389 1
1 382 . 5 1 1 A 39 39 ALA N N 39 124.015 123.030 0.985 1
1 383 . 5 1 1 A 39 39 ALA H H 39 7.483 7.753 -0.270 1
1 384 . 5 1 1 A 39 39 ALA CA C 39 52.396 50.579 1.817 1
1 385 . 5 1 1 A 39 39 ALA HA H 39 4.280 4.684 -0.404 1
1 386 . 5 1 1 A 39 39 ALA CB C 39 20.424 20.982 -0.558 1
1 390 . 5 1 1 A 39 39 ALA C C 39 176.275 177.060 -0.785 1
1 391 . 5 1 1 A 40 40 LYS N N 40 119.513 120.361 -0.848 1
1 392 . 5 1 1 A 40 40 LYS H H 40 8.685 9.040 -0.355 1
1 393 . 5 1 1 A 40 40 LYS CA C 40 54.696 54.554 0.142 1
1 394 . 5 1 1 A 40 40 LYS HA H 40 4.811 5.402 -0.591 1
1 395 . 5 1 1 A 40 40 LYS CB C 40 34.324 36.170 -1.846 1
1 403 . 5 1 1 A 40 40 LYS C C 40 176.004 175.380 0.624 1
1 408 . 5 1 1 A 41 41 GLY N N 41 111.941 107.213 4.728 1
1 409 . 5 1 1 A 41 41 GLY H H 41 8.398 8.420 -0.022 1
1 410 . 5 1 1 A 41 41 GLY CA C 41 45.887 45.804 0.083 1
1 411 . 5 1 1 A 41 41 GLY HA3 H 41 3.722 4.104 -0.382 1
1 412 . 5 1 1 A 41 41 GLY C C 41 171.021 171.815 -0.794 1
1 413 . 5 1 1 A 41 41 GLY HA2 H 41 3.722 3.805 -0.083 1
1 414 . 5 1 1 A 42 42 LYS N N 42 119.600 122.153 -2.553 1
1 415 . 5 1 1 A 42 42 LYS H H 42 7.293 7.821 -0.528 1
1 416 . 5 1 1 A 42 42 LYS CA C 42 54.522 54.935 -0.413 1
1 417 . 5 1 1 A 42 42 LYS HA H 42 4.467 4.915 -0.448 1
1 418 . 5 1 1 A 42 42 LYS CB C 42 34.979 34.453 0.526 1
1 426 . 5 1 1 A 42 42 LYS C C 42 175.675 175.525 0.150 1
1 431 . 5 1 1 A 43 43 ILE N N 43 127.421 126.758 0.663 1
1 432 . 5 1 1 A 43 43 ILE H H 43 8.706 8.939 -0.233 1
1 433 . 5 1 1 A 43 43 ILE CA C 43 60.336 60.344 -0.008 1
1 434 . 5 1 1 A 43 43 ILE HA H 43 4.695 4.714 -0.019 1
1 435 . 5 1 1 A 43 43 ILE CB C 43 39.322 38.088 1.234 1
1 447 . 5 1 1 A 43 43 ILE C C 43 174.542 174.965 -0.423 1
1 449 . 5 1 1 A 44 44 ASP N N 44 127.995 127.049 0.946 1
1 450 . 5 1 1 A 44 44 ASP H H 44 8.861 9.009 -0.148 1
1 451 . 5 1 1 A 44 44 ASP CA C 44 53.245 52.632 0.613 1
1 452 . 5 1 1 A 44 44 ASP HA H 44 4.817 5.469 -0.652 1
1 453 . 5 1 1 A 44 44 ASP CB C 44 44.577 44.155 0.422 1
1 455 . 5 1 1 A 44 44 ASP C C 44 173.768 175.156 -1.388 1
1 457 . 5 1 1 A 45 45 ALA N N 45 127.601 124.615 2.986 1
1 458 . 5 1 1 A 45 45 ALA H H 45 8.819 9.066 -0.247 1
1 459 . 5 1 1 A 45 45 ALA CA C 45 50.180 50.892 -0.712 1
1 460 . 5 1 1 A 45 45 ALA HA H 45 5.859 5.337 0.522 1
1 461 . 5 1 1 A 45 45 ALA CB C 45 21.379 22.276 -0.897 1
1 465 . 5 1 1 A 45 45 ALA C C 45 175.393 175.866 -0.473 1
1 466 . 5 1 1 A 46 46 LYS N N 46 122.427 122.506 -0.079 1
1 467 . 5 1 1 A 46 46 LYS H H 46 8.723 8.607 0.116 1
1 468 . 5 1 1 A 46 46 LYS CA C 46 55.090 54.856 0.234 1
1 469 . 5 1 1 A 46 46 LYS HA H 46 5.057 5.079 -0.022 1
1 470 . 5 1 1 A 46 46 LYS CB C 46 37.534 36.797 0.737 1
1 478 . 5 1 1 A 46 46 LYS C C 46 173.473 174.456 -0.983 1
1 483 . 5 1 1 A 47 47 VAL N N 47 120.177 122.246 -2.069 1
1 484 . 5 1 1 A 47 47 VAL H H 47 8.989 8.831 0.158 1
1 485 . 5 1 1 A 47 47 VAL CA C 47 59.152 60.135 -0.983 1
1 486 . 5 1 1 A 47 47 VAL HA H 47 4.875 4.830 0.045 1
1 487 . 5 1 1 A 47 47 VAL CB C 47 34.502 34.059 0.443 1
1 497 . 5 1 1 A 47 47 VAL C C 47 173.786 174.075 -0.289 1
1 498 . 5 1 1 A 48 48 HIS N N 48 127.949 129.438 -1.489 1
1 499 . 5 1 1 A 48 48 HIS H H 48 9.661 9.211 0.450 1
1 500 . 5 1 1 A 48 48 HIS CA C 48 53.917 55.984 -2.067 1
1 501 . 5 1 1 A 48 48 HIS HA H 48 5.238 5.060 0.178 1
1 502 . 5 1 1 A 48 48 HIS CB C 48 30.549 32.189 -1.640 1
1 508 . 5 1 1 A 48 48 HIS C C 48 175.556 174.146 1.410 1
1 510 . 5 1 1 A 49 49 SER N N 49 121.639 115.907 5.732 1
1 511 . 5 1 1 A 49 49 SER H H 49 9.114 8.673 0.441 1
1 512 . 5 1 1 A 49 49 SER CA C 49 56.693 55.154 1.539 1
1 513 . 5 1 1 A 49 49 SER HA H 49 4.391 4.940 -0.549 1
1 514 . 5 1 1 A 49 49 SER CB C 49 63.160 65.946 -2.786 1
1 516 . 5 1 1 A 49 49 SER C C 49 174.390 173.790 0.600 1
1 518 . 5 1 1 A 50 50 PRO CA C 50 65.732 64.124 1.608 1
1 519 . 5 1 1 A 50 50 PRO HA H 50 4.247 4.485 -0.238 1
1 520 . 5 1 1 A 50 50 PRO CB C 50 31.516 31.670 -0.154 1
1 526 . 5 1 1 A 50 50 PRO C C 50 177.969 177.801 0.168 1
1 530 . 5 1 1 A 51 51 SER N N 51 110.808 112.479 -1.671 1
1 531 . 5 1 1 A 51 51 SER H H 51 8.539 7.751 0.788 1
1 532 . 5 1 1 A 51 51 SER CA C 51 59.311 58.529 0.782 1
1 533 . 5 1 1 A 51 51 SER HA H 51 4.331 4.500 -0.169 1
1 534 . 5 1 1 A 51 51 SER CB C 51 62.767 63.939 -1.172 1
1 536 . 5 1 1 A 51 51 SER C C 51 175.339 174.747 0.592 1
1 538 . 5 1 1 A 52 52 GLY N N 52 110.692 109.166 1.526 1
1 539 . 5 1 1 A 52 52 GLY H H 52 8.181 8.210 -0.029 1
1 540 . 5 1 1 A 52 52 GLY CA C 52 44.862 45.504 -0.642 1
1 541 . 5 1 1 A 52 52 GLY HA3 H 52 4.444 4.013 0.431 1
1 542 . 5 1 1 A 52 52 GLY C C 52 174.389 174.036 0.353 1
1 543 . 5 1 1 A 52 52 GLY HA2 H 52 3.634 3.998 -0.364 1
1 544 . 5 1 1 A 53 53 ALA N N 53 124.417 122.325 2.092 1
1 545 . 5 1 1 A 53 53 ALA H H 53 7.419 7.769 -0.350 1
1 546 . 5 1 1 A 53 53 ALA CA C 53 52.538 50.333 2.205 1
1 547 . 5 1 1 A 53 53 ALA HA H 53 4.373 4.786 -0.413 1
1 548 . 5 1 1 A 53 53 ALA CB C 53 19.207 22.255 -3.048 1
1 552 . 5 1 1 A 53 53 ALA C C 53 176.519 176.008 0.511 1
1 553 . 5 1 1 A 54 54 VAL N N 54 121.228 120.811 0.417 1
1 554 . 5 1 1 A 54 54 VAL H H 54 8.429 8.790 -0.361 1
1 555 . 5 1 1 A 54 54 VAL CA C 54 60.672 61.342 -0.670 1
1 556 . 5 1 1 A 54 54 VAL HA H 54 4.980 4.406 0.574 1
1 557 . 5 1 1 A 54 54 VAL CB C 54 33.933 33.073 0.860 1
1 567 . 5 1 1 A 54 54 VAL C C 54 175.443 175.102 0.341 1
1 568 . 5 1 1 A 55 55 GLU N N 55 126.290 126.923 -0.633 1
1 569 . 5 1 1 A 55 55 GLU H H 55 8.640 8.733 -0.093 1
1 570 . 5 1 1 A 55 55 GLU CA C 55 54.306 54.407 -0.101 1
1 571 . 5 1 1 A 55 55 GLU HA H 55 4.754 4.851 -0.097 1
1 572 . 5 1 1 A 55 55 GLU CB C 55 33.612 32.622 0.990 1
1 576 . 5 1 1 A 55 55 GLU C C 55 175.073 174.628 0.445 1
1 579 . 5 1 1 A 56 56 GLU N N 56 123.200 122.662 0.538 1
1 580 . 5 1 1 A 56 56 GLU H H 56 8.878 8.785 0.093 1
1 581 . 5 1 1 A 56 56 GLU CA C 56 56.966 55.067 1.899 1
1 582 . 5 1 1 A 56 56 GLU HA H 56 4.479 5.036 -0.557 1
1 583 . 5 1 1 A 56 56 GLU CB C 56 30.258 32.249 -1.991 1
1 587 . 5 1 1 A 56 56 GLU C C 56 177.592 175.412 2.180 1
1 590 . 5 1 1 A 57 57 CYS N N 57 121.919 124.883 -2.964 1
1 591 . 5 1 1 A 57 57 CYS H H 57 8.496 8.281 0.215 1
1 592 . 5 1 1 A 57 57 CYS CA C 57 59.030 57.882 1.148 1
1 593 . 5 1 1 A 57 57 CYS HA H 57 4.690 5.116 -0.426 1
1 594 . 5 1 1 A 57 57 CYS CB C 57 29.620 28.994 0.626 1
1 596 . 5 1 1 A 57 57 CYS C C 57 173.871 174.271 -0.400 1
1 598 . 5 1 1 A 58 58 HIS N N 58 123.415 124.022 -0.607 1
1 599 . 5 1 1 A 58 58 HIS H H 58 8.961 8.954 0.007 1
1 600 . 5 1 1 A 58 58 HIS CA C 58 56.751 56.518 0.233 1
1 601 . 5 1 1 A 58 58 HIS HA H 58 4.725 4.639 0.086 1
1 602 . 5 1 1 A 58 58 HIS CB C 58 31.813 29.892 1.921 1
1 608 . 5 1 1 A 58 58 HIS C C 58 174.903 173.484 1.419 1
1 610 . 5 1 1 A 59 59 VAL N N 59 128.900 129.516 -0.616 1
1 611 . 5 1 1 A 59 59 VAL H H 59 8.521 9.032 -0.511 1
1 612 . 5 1 1 A 59 59 VAL CA C 59 61.131 60.973 0.158 1
1 613 . 5 1 1 A 59 59 VAL HA H 59 5.142 4.598 0.544 1
1 614 . 5 1 1 A 59 59 VAL CB C 59 33.825 32.832 0.993 1
1 624 . 5 1 1 A 59 59 VAL C C 59 175.539 174.399 1.140 1
1 625 . 5 1 1 A 60 60 SER N N 60 120.428 121.649 -1.221 1
1 626 . 5 1 1 A 60 60 SER H H 60 8.995 8.546 0.449 1
1 627 . 5 1 1 A 60 60 SER CA C 60 56.782 56.316 0.466 1
1 628 . 5 1 1 A 60 60 SER HA H 60 4.823 5.230 -0.407 1
1 629 . 5 1 1 A 60 60 SER CB C 60 65.880 65.028 0.852 1
1 631 . 5 1 1 A 60 60 SER C C 60 172.353 171.948 0.405 1
1 633 . 5 1 1 A 61 61 GLU N N 61 125.163 127.177 -2.014 1
1 634 . 5 1 1 A 61 61 GLU H H 61 8.894 8.673 0.221 1
1 635 . 5 1 1 A 61 61 GLU CA C 61 57.081 55.478 1.603 1
1 636 . 5 1 1 A 61 61 GLU HA H 61 3.545 3.924 -0.379 1
1 637 . 5 1 1 A 61 61 GLU CB C 61 30.675 29.335 1.340 1
1 641 . 5 1 1 A 61 61 GLU C C 61 176.353 175.049 1.304 1
1 644 . 5 1 1 A 62 62 LEU N N 62 129.563 128.755 0.808 1
1 645 . 5 1 1 A 62 62 LEU H H 62 8.800 8.798 0.002 1
1 646 . 5 1 1 A 62 62 LEU CA C 62 56.462 55.822 0.640 1
1 647 . 5 1 1 A 62 62 LEU HA H 62 4.341 4.325 0.016 1
1 648 . 5 1 1 A 62 62 LEU CB C 62 44.020 42.902 1.118 1
1 660 . 5 1 1 A 62 62 LEU C C 62 176.662 176.674 -0.012 1
1 662 . 5 1 1 A 63 63 GLU N N 63 117.143 118.037 -0.894 1
1 663 . 5 1 1 A 63 63 GLU H H 63 8.292 7.526 0.766 1
1 664 . 5 1 1 A 63 63 GLU CA C 63 53.777 53.158 0.619 1
1 665 . 5 1 1 A 63 63 GLU HA H 63 4.655 4.691 -0.036 1
1 666 . 5 1 1 A 63 63 GLU CB C 63 29.768 31.152 -1.384 1
1 670 . 5 1 1 A 63 63 GLU C C 63 172.058 176.156 -4.098 1
1 673 . 5 1 1 A 64 64 PRO CA C 64 65.767 64.387 1.380 1
1 674 . 5 1 1 A 64 64 PRO HA H 64 4.227 4.529 -0.302 1
1 675 . 5 1 1 A 64 64 PRO CB C 64 31.005 31.896 -0.891 1
1 681 . 5 1 1 A 64 64 PRO C C 64 177.068 176.422 0.646 1
1 685 . 5 1 1 A 65 65 ASP N N 65 118.425 116.817 1.608 1
1 686 . 5 1 1 A 65 65 ASP H H 65 8.965 8.385 0.580 1
1 687 . 5 1 1 A 65 65 ASP CA C 65 55.827 54.115 1.712 1
1 688 . 5 1 1 A 65 65 ASP HA H 65 4.589 4.959 -0.370 1
1 689 . 5 1 1 A 65 65 ASP CB C 65 43.713 42.883 0.830 1
1 691 . 5 1 1 A 65 65 ASP C C 65 174.921 174.926 -0.005 1
1 693 . 5 1 1 A 66 66 LYS N N 66 120.940 120.482 0.458 1
1 694 . 5 1 1 A 66 66 LYS H H 66 8.476 7.520 0.956 1
1 695 . 5 1 1 A 66 66 LYS CA C 66 55.938 55.553 0.385 1
1 696 . 5 1 1 A 66 66 LYS HA H 66 5.476 5.074 0.402 1
1 697 . 5 1 1 A 66 66 LYS CB C 66 36.812 36.017 0.795 1
1 705 . 5 1 1 A 66 66 LYS C C 66 173.912 174.490 -0.578 1
1 710 . 5 1 1 A 67 67 TYR N N 67 126.047 124.538 1.509 1
1 711 . 5 1 1 A 67 67 TYR H H 67 9.291 8.764 0.527 1
1 712 . 5 1 1 A 67 67 TYR CA C 67 56.589 56.699 -0.110 1
1 713 . 5 1 1 A 67 67 TYR HA H 67 5.136 5.345 -0.209 1
1 714 . 5 1 1 A 67 67 TYR CB C 67 41.933 43.205 -1.272 1
1 724 . 5 1 1 A 67 67 TYR C C 67 174.424 174.320 0.104 1
1 726 . 5 1 1 A 68 68 ALA N N 68 123.234 123.122 0.112 1
1 727 . 5 1 1 A 68 68 ALA H H 68 9.393 8.451 0.942 1
1 728 . 5 1 1 A 68 68 ALA CA C 68 50.620 50.562 0.058 1
1 729 . 5 1 1 A 68 68 ALA HA H 68 5.002 5.206 -0.204 1
1 730 . 5 1 1 A 68 68 ALA CB C 68 21.211 22.207 -0.996 1
1 734 . 5 1 1 A 68 68 ALA C C 68 176.258 175.830 0.428 1
1 735 . 5 1 1 A 69 69 VAL N N 69 121.910 122.563 -0.653 1
1 736 . 5 1 1 A 69 69 VAL H H 69 8.412 8.537 -0.125 1
1 737 . 5 1 1 A 69 69 VAL CA C 69 61.147 61.161 -0.014 1
1 738 . 5 1 1 A 69 69 VAL HA H 69 4.587 4.708 -0.121 1
1 739 . 5 1 1 A 69 69 VAL CB C 69 32.409 33.754 -1.345 1
1 749 . 5 1 1 A 69 69 VAL C C 69 174.300 173.738 0.562 1
1 750 . 5 1 1 A 70 70 ARG N N 70 125.218 129.636 -4.418 1
1 751 . 5 1 1 A 70 70 ARG H H 70 8.926 9.129 -0.203 1
1 752 . 5 1 1 A 70 70 ARG CA C 70 54.404 54.717 -0.313 1
1 753 . 5 1 1 A 70 70 ARG HA H 70 5.665 4.979 0.686 1
1 754 . 5 1 1 A 70 70 ARG CB C 70 34.966 31.794 3.172 1
1 760 . 5 1 1 A 70 70 ARG C C 70 175.124 175.225 -0.101 1
1 764 . 5 1 1 A 71 71 PHE N N 71 120.657 120.256 0.401 1
1 765 . 5 1 1 A 71 71 PHE H H 71 8.780 8.949 -0.169 1
1 766 . 5 1 1 A 71 71 PHE CA C 71 55.969 56.150 -0.181 1
1 767 . 5 1 1 A 71 71 PHE HA H 71 5.082 5.143 -0.061 1
1 768 . 5 1 1 A 71 71 PHE CB C 71 41.335 41.377 -0.042 1
1 780 . 5 1 1 A 71 71 PHE C C 71 171.920 172.072 -0.152 1
1 782 . 5 1 1 A 72 72 ILE N N 72 120.347 122.065 -1.718 1
1 783 . 5 1 1 A 72 72 ILE H H 72 8.714 9.087 -0.373 1
1 784 . 5 1 1 A 72 72 ILE CA C 72 57.669 58.235 -0.566 1
1 785 . 5 1 1 A 72 72 ILE HA H 72 4.469 4.623 -0.154 1
1 786 . 5 1 1 A 72 72 ILE CB C 72 39.824 38.868 0.956 1
1 798 . 5 1 1 A 72 72 ILE C C 72 173.612 175.248 -1.636 1
1 800 . 5 1 1 A 73 73 PRO CA C 73 62.050 62.329 -0.279 1
1 801 . 5 1 1 A 73 73 PRO HA H 73 4.493 4.828 -0.335 1
1 802 . 5 1 1 A 73 73 PRO CB C 73 33.680 29.153 4.527 1
1 808 . 5 1 1 A 73 73 PRO C C 73 176.990 175.487 1.503 1
1 812 . 5 1 1 A 74 74 HIS N N 74 119.655 117.620 2.035 1
1 813 . 5 1 1 A 74 74 HIS H H 74 10.240 8.554 1.686 1
1 814 . 5 1 1 A 74 74 HIS CA C 74 54.660 53.794 0.866 1
1 815 . 5 1 1 A 74 74 HIS HA H 74 5.035 5.681 -0.646 1
1 816 . 5 1 1 A 74 74 HIS CB C 74 30.530 31.703 -1.173 1
1 822 . 5 1 1 A 74 74 HIS C C 74 173.624 174.115 -0.491 1
1 824 . 5 1 1 A 75 75 GLU N N 75 118.178 123.174 -4.996 1
1 825 . 5 1 1 A 75 75 GLU H H 75 7.772 8.758 -0.986 1
1 826 . 5 1 1 A 75 75 GLU CA C 75 54.166 54.256 -0.090 1
1 827 . 5 1 1 A 75 75 GLU HA H 75 4.654 4.795 -0.141 1
1 828 . 5 1 1 A 75 75 GLU CB C 75 33.422 33.543 -0.121 1
1 832 . 5 1 1 A 75 75 GLU C C 75 173.599 175.601 -2.002 1
1 835 . 5 1 1 A 76 76 ASN N N 76 116.760 117.137 -0.377 1
1 836 . 5 1 1 A 76 76 ASN H H 76 8.530 8.539 -0.009 1
1 837 . 5 1 1 A 76 76 ASN CA C 76 53.486 51.828 1.658 1
1 838 . 5 1 1 A 76 76 ASN HA H 76 4.606 5.116 -0.510 1
1 839 . 5 1 1 A 76 76 ASN CB C 76 40.184 38.861 1.323 1
1 844 . 5 1 1 A 76 76 ASN C C 76 175.598 175.038 0.560 1
1 846 . 5 1 1 A 77 77 GLY N N 77 106.497 108.228 -1.731 1
1 847 . 5 1 1 A 77 77 GLY H H 77 9.152 7.473 1.679 1
1 848 . 5 1 1 A 77 77 GLY CA C 77 43.752 46.180 -2.428 1
1 849 . 5 1 1 A 77 77 GLY HA3 H 77 4.797 4.126 0.671 1
1 850 . 5 1 1 A 77 77 GLY C C 77 176.329 171.824 4.505 1
1 851 . 5 1 1 A 77 77 GLY HA2 H 77 3.897 4.100 -0.203 1
1 852 . 5 1 1 A 78 78 VAL N N 78 124.582 122.460 2.122 1
1 853 . 5 1 1 A 78 78 VAL H H 78 9.334 8.363 0.971 1
1 854 . 5 1 1 A 78 78 VAL CA C 78 64.642 60.594 4.048 1
1 855 . 5 1 1 A 78 78 VAL HA H 78 4.399 4.948 -0.549 1
1 856 . 5 1 1 A 78 78 VAL CB C 78 31.464 34.284 -2.820 1
1 866 . 5 1 1 A 78 78 VAL C C 78 176.269 174.889 1.380 1
1 867 . 5 1 1 A 79 79 HIS N N 79 129.160 124.743 4.417 1
1 868 . 5 1 1 A 79 79 HIS H H 79 9.854 9.178 0.676 1
1 869 . 5 1 1 A 79 79 HIS CA C 79 55.150 55.185 -0.035 1
1 870 . 5 1 1 A 79 79 HIS HA H 79 4.921 5.677 -0.756 1
1 871 . 5 1 1 A 79 79 HIS CB C 79 30.772 32.419 -1.647 1
1 877 . 5 1 1 A 79 79 HIS C C 79 174.062 174.845 -0.783 1
1 879 . 5 1 1 A 80 80 THR N N 80 116.006 115.177 0.829 1
1 880 . 5 1 1 A 80 80 THR H H 80 8.526 8.528 -0.002 1
1 881 . 5 1 1 A 80 80 THR CA C 80 60.983 61.617 -0.634 1
1 882 . 5 1 1 A 80 80 THR HA H 80 5.380 5.278 0.102 1
1 883 . 5 1 1 A 80 80 THR CB C 80 70.590 71.504 -0.914 1
1 889 . 5 1 1 A 80 80 THR C C 80 173.671 173.399 0.272 1
1 890 . 5 1 1 A 81 81 ILE N N 81 127.414 128.620 -1.206 1
1 891 . 5 1 1 A 81 81 ILE H H 81 9.745 8.903 0.842 1
1 892 . 5 1 1 A 81 81 ILE CA C 81 60.037 61.099 -1.062 1
1 893 . 5 1 1 A 81 81 ILE HA H 81 4.867 4.367 0.500 1
1 894 . 5 1 1 A 81 81 ILE CB C 81 39.883 37.962 1.921 1
1 906 . 5 1 1 A 81 81 ILE C C 81 175.279 174.716 0.563 1
1 908 . 5 1 1 A 82 82 ASP N N 82 128.375 128.625 -0.250 1
1 909 . 5 1 1 A 82 82 ASP H H 82 9.157 9.066 0.091 1
1 910 . 5 1 1 A 82 82 ASP CA C 82 53.084 52.965 0.119 1
1 911 . 5 1 1 A 82 82 ASP HA H 82 5.060 5.382 -0.322 1
1 912 . 5 1 1 A 82 82 ASP CB C 82 42.929 42.254 0.675 1
1 914 . 5 1 1 A 82 82 ASP C C 82 175.923 174.683 1.240 1
1 916 . 5 1 1 A 83 83 VAL N N 83 125.651 125.794 -0.143 1
1 917 . 5 1 1 A 83 83 VAL H H 83 9.897 8.909 0.988 1
1 918 . 5 1 1 A 83 83 VAL CA C 83 62.407 61.685 0.722 1
1 919 . 5 1 1 A 83 83 VAL HA H 83 4.553 4.853 -0.300 1
1 920 . 5 1 1 A 83 83 VAL CB C 83 33.233 32.861 0.372 1
1 930 . 5 1 1 A 83 83 VAL C C 83 173.327 175.149 -1.822 1
1 931 . 5 1 1 A 84 84 LYS N N 84 124.405 126.950 -2.545 1
1 932 . 5 1 1 A 84 84 LYS H H 84 8.874 8.853 0.021 1
1 933 . 5 1 1 A 84 84 LYS CA C 84 53.901 54.515 -0.614 1
1 934 . 5 1 1 A 84 84 LYS HA H 84 5.065 4.925 0.140 1
1 935 . 5 1 1 A 84 84 LYS CB C 84 36.851 35.360 1.491 1
1 943 . 5 1 1 A 84 84 LYS C C 84 174.760 174.590 0.170 1
1 948 . 5 1 1 A 85 85 PHE N N 85 120.871 124.366 -3.495 1
1 949 . 5 1 1 A 85 85 PHE H H 85 9.167 8.928 0.239 1
1 950 . 5 1 1 A 85 85 PHE CA C 85 56.014 57.499 -1.485 1
1 951 . 5 1 1 A 85 85 PHE HA H 85 5.157 4.885 0.272 1
1 952 . 5 1 1 A 85 85 PHE CB C 85 42.916 41.587 1.329 1
1 964 . 5 1 1 A 85 85 PHE C C 85 175.473 174.902 0.571 1
1 966 . 5 1 1 A 86 86 ASN N N 86 126.732 125.204 1.528 1
1 967 . 5 1 1 A 86 86 ASN H H 86 8.714 8.608 0.106 1
1 968 . 5 1 1 A 86 86 ASN CA C 86 53.835 53.885 -0.050 1
1 969 . 5 1 1 A 86 86 ASN HA H 86 4.216 4.224 -0.008 1
1 970 . 5 1 1 A 86 86 ASN CB C 86 36.789 37.202 -0.413 1
1 975 . 5 1 1 A 86 86 ASN C C 86 175.700 174.642 1.058 1
1 977 . 5 1 1 A 87 87 GLY N N 87 102.449 105.200 -2.751 1
1 978 . 5 1 1 A 87 87 GLY H H 87 8.986 8.605 0.381 1
1 979 . 5 1 1 A 87 87 GLY CA C 87 45.490 46.516 -1.026 1
1 980 . 5 1 1 A 87 87 GLY HA3 H 87 4.223 3.925 0.298 1
1 981 . 5 1 1 A 87 87 GLY C C 87 174.149 173.521 0.628 1
1 982 . 5 1 1 A 87 87 GLY HA2 H 87 3.555 3.922 -0.367 1
1 983 . 5 1 1 A 88 88 SER N N 88 116.260 113.413 2.847 1
1 984 . 5 1 1 A 88 88 SER H H 88 7.670 7.689 -0.019 1
1 985 . 5 1 1 A 88 88 SER CA C 88 57.194 57.677 -0.483 1
1 986 . 5 1 1 A 88 88 SER HA H 88 4.935 4.706 0.229 1
1 987 . 5 1 1 A 88 88 SER CB C 88 65.421 66.309 -0.888 1
1 989 . 5 1 1 A 88 88 SER C C 88 173.491 173.166 0.325 1
1 991 . 5 1 1 A 89 89 HIS N N 89 124.290 125.250 -0.960 1
1 992 . 5 1 1 A 89 89 HIS H H 89 8.847 8.921 -0.074 1
1 993 . 5 1 1 A 89 89 HIS CA C 89 59.048 56.789 2.259 1
1 994 . 5 1 1 A 89 89 HIS HA H 89 4.543 4.792 -0.249 1
1 995 . 5 1 1 A 89 89 HIS CB C 89 32.463 29.748 2.715 1
1 1001 . 5 1 1 A 89 89 HIS C C 89 177.441 175.370 2.071 1
1 1003 . 5 1 1 A 90 90 VAL N N 90 116.253 122.650 -6.397 1
1 1004 . 5 1 1 A 90 90 VAL H H 90 8.283 8.088 0.195 1
1 1005 . 5 1 1 A 90 90 VAL CA C 90 60.279 61.997 -1.718 1
1 1006 . 5 1 1 A 90 90 VAL HA H 90 4.291 3.940 0.351 1
1 1007 . 5 1 1 A 90 90 VAL CB C 90 31.601 32.862 -1.261 1
1 1017 . 5 1 1 A 90 90 VAL C C 90 176.074 175.812 0.262 1
1 1018 . 5 1 1 A 91 91 VAL N N 91 123.139 124.148 -1.009 1
1 1019 . 5 1 1 A 91 91 VAL H H 91 8.910 8.490 0.420 1
1 1020 . 5 1 1 A 91 91 VAL CA C 91 66.030 63.582 2.448 1
1 1021 . 5 1 1 A 91 91 VAL HA H 91 3.632 3.768 -0.136 1
1 1022 . 5 1 1 A 91 91 VAL CB C 91 30.897 31.462 -0.565 1
1 1032 . 5 1 1 A 91 91 VAL C C 91 177.012 176.893 0.119 1
1 1033 . 5 1 1 A 92 92 GLY N N 92 116.727 117.729 -1.002 1
1 1034 . 5 1 1 A 92 92 GLY H H 92 8.396 8.698 -0.302 1
1 1035 . 5 1 1 A 92 92 GLY CA C 92 44.466 44.807 -0.341 1
1 1036 . 5 1 1 A 92 92 GLY HA3 H 92 4.180 3.918 0.262 1
1 1037 . 5 1 1 A 92 92 GLY C C 92 172.077 172.406 -0.329 1
1 1038 . 5 1 1 A 92 92 GLY HA2 H 92 3.221 3.825 -0.604 1
1 1039 . 5 1 1 A 93 93 SER N N 93 112.885 115.872 -2.987 1
1 1040 . 5 1 1 A 93 93 SER H H 93 7.484 7.515 -0.031 1
1 1041 . 5 1 1 A 93 93 SER CA C 93 54.547 54.601 -0.054 1
1 1042 . 5 1 1 A 93 93 SER HA H 93 4.065 3.970 0.095 1
1 1043 . 5 1 1 A 93 93 SER CB C 93 62.575 64.387 -1.812 1
1 1045 . 5 1 1 A 93 93 SER C C 93 174.608 172.487 2.121 1
1 1047 . 5 1 1 A 94 94 PRO CA C 94 62.477 62.267 0.210 1
1 1048 . 5 1 1 A 94 94 PRO HA H 94 5.491 4.573 0.918 1
1 1049 . 5 1 1 A 94 94 PRO CB C 94 34.106 32.204 1.902 1
1 1055 . 5 1 1 A 94 94 PRO C C 94 176.779 175.212 1.567 1
1 1059 . 5 1 1 A 95 95 PHE N N 95 123.133 119.481 3.652 1
1 1060 . 5 1 1 A 95 95 PHE H H 95 9.200 8.393 0.807 1
1 1061 . 5 1 1 A 95 95 PHE CA C 95 57.291 57.444 -0.153 1
1 1062 . 5 1 1 A 95 95 PHE HA H 95 4.581 4.874 -0.293 1
1 1063 . 5 1 1 A 95 95 PHE CB C 95 41.165 41.562 -0.397 1
1 1075 . 5 1 1 A 95 95 PHE C C 95 175.687 175.396 0.291 1
1 1077 . 5 1 1 A 96 96 LYS N N 96 122.134 121.123 1.011 1
1 1078 . 5 1 1 A 96 96 LYS H H 96 8.790 8.683 0.107 1
1 1079 . 5 1 1 A 96 96 LYS CA C 96 55.249 54.804 0.445 1
1 1080 . 5 1 1 A 96 96 LYS HA H 96 5.276 5.244 0.032 1
1 1081 . 5 1 1 A 96 96 LYS CB C 96 33.836 35.295 -1.459 1
1 1089 . 5 1 1 A 96 96 LYS C C 96 176.515 175.638 0.877 1
1 1094 . 5 1 1 A 97 97 VAL N N 97 117.706 117.903 -0.197 1
1 1095 . 5 1 1 A 97 97 VAL H H 97 8.873 8.604 0.269 1
1 1096 . 5 1 1 A 97 97 VAL CA C 97 59.188 59.411 -0.223 1
1 1097 . 5 1 1 A 97 97 VAL HA H 97 4.917 4.844 0.073 1
1 1098 . 5 1 1 A 97 97 VAL CB C 97 35.185 35.686 -0.501 1
1 1108 . 5 1 1 A 97 97 VAL C C 97 173.801 173.855 -0.054 1
1 1109 . 5 1 1 A 98 98 ARG N N 98 125.203 125.220 -0.017 1
1 1110 . 5 1 1 A 98 98 ARG H H 98 8.826 8.832 -0.006 1
1 1111 . 5 1 1 A 98 98 ARG CA C 98 56.337 54.994 1.343 1
1 1112 . 5 1 1 A 98 98 ARG HA H 98 4.610 5.023 -0.413 1
1 1113 . 5 1 1 A 98 98 ARG CB C 98 32.031 32.091 -0.060 1
1 1119 . 5 1 1 A 98 98 ARG C C 98 174.438 176.125 -1.687 1
1 1123 . 5 1 1 A 99 99 VAL N N 99 127.382 126.991 0.391 1
1 1124 . 5 1 1 A 99 99 VAL H H 99 8.144 8.858 -0.714 1
1 1125 . 5 1 1 A 99 99 VAL CA C 99 61.216 62.476 -1.260 1
1 1126 . 5 1 1 A 99 99 VAL HA H 99 4.115 4.482 -0.367 1
1 1127 . 5 1 1 A 99 99 VAL CB C 99 32.590 32.473 0.117 1
1 1137 . 5 1 1 A 99 99 VAL C C 99 176.994 175.172 1.822 1
1 1138 . 5 1 1 A 100 100 GLY N N 100 117.424 113.951 3.473 1
1 1139 . 5 1 1 A 100 100 GLY H H 100 8.682 8.561 0.121 1
1 1140 . 5 1 1 A 100 100 GLY CA C 100 44.650 44.924 -0.274 1
1 1141 . 5 1 1 A 100 100 GLY HA3 H 100 4.386 4.150 0.236 1
1 1142 . 5 1 1 A 100 100 GLY C C 100 173.180 171.768 1.412 1
1 1143 . 5 1 1 A 100 100 GLY HA2 H 100 3.954 4.148 -0.194 1
1 1144 . 5 1 1 A 101 101 GLU N N 101 119.495 120.681 -1.186 1
1 1145 . 5 1 1 A 101 101 GLU H H 101 8.383 8.504 -0.121 1
1 1146 . 5 1 1 A 101 101 GLU CA C 101 54.168 53.799 0.369 1
1 1147 . 5 1 1 A 101 101 GLU HA H 101 4.661 4.933 -0.272 1
1 1148 . 5 1 1 A 101 101 GLU CB C 101 29.836 31.509 -1.673 1
1 1152 . 5 1 1 A 101 101 GLU C C 101 175.458 174.726 0.732 1
1 1155 . 5 1 1 A 102 102 PRO CA C 102 63.897 62.840 1.057 1
1 1156 . 5 1 1 A 102 102 PRO HA H 102 4.361 4.614 -0.253 1
1 1157 . 5 1 1 A 102 102 PRO CB C 102 31.946 31.720 0.226 1
1 1163 . 5 1 1 A 102 102 PRO C C 102 177.509 176.184 1.325 1
1 1167 . 5 1 1 A 103 103 GLY N N 103 109.378 108.756 0.622 1
1 1168 . 5 1 1 A 103 103 GLY H H 103 8.552 8.627 -0.075 1
1 1169 . 5 1 1 A 103 103 GLY CA C 103 45.263 46.278 -1.015 1
1 1170 . 5 1 1 A 103 103 GLY HA3 H 103 3.962 4.140 -0.178 1
1 1171 . 5 1 1 A 103 103 GLY C C 103 174.277 172.697 1.580 1
1 1172 . 5 1 1 A 103 103 GLY HA2 H 103 3.962 4.139 -0.177 1
1 1173 . 5 1 1 A 104 104 GLN N N 104 119.735 125.296 -5.561 1
1 1174 . 5 1 1 A 104 104 GLN H H 104 8.096 8.818 -0.722 1
1 1175 . 5 1 1 A 104 104 GLN CA C 104 55.924 55.253 0.671 1
1 1176 . 5 1 1 A 104 104 GLN HA H 104 4.339 4.409 -0.070 1
1 1177 . 5 1 1 A 104 104 GLN CB C 104 29.622 27.133 2.489 1
1 1184 . 5 1 1 A 104 104 GLN C C 104 175.669 174.386 1.283 1
1 1187 . 5 1 1 A 105 105 ALA N N 105 125.603 126.455 -0.852 1
1 1188 . 5 1 1 A 105 105 ALA H H 105 8.389 7.817 0.572 1
1 1189 . 5 1 1 A 105 105 ALA CA C 105 52.416 51.200 1.216 1
1 1190 . 5 1 1 A 105 105 ALA HA H 105 4.385 5.057 -0.672 1
1 1191 . 5 1 1 A 105 105 ALA CB C 105 19.608 22.449 -2.841 1
1 1195 . 5 1 1 A 105 105 ALA C C 105 176.971 175.916 1.055 1
1 1 . 6 1 1 A 8 8 SER CA C 8 59.066 56.069 2.997 1
1 2 . 6 1 1 A 8 8 SER HA H 8 4.444 5.073 -0.629 1
1 3 . 6 1 1 A 8 8 SER CB C 8 63.749 65.560 -1.811 1
1 5 . 6 1 1 A 8 8 SER C C 8 174.832 173.005 1.827 1
1 7 . 6 1 1 A 9 9 ASP N N 9 122.244 124.130 -1.886 1
1 8 . 6 1 1 A 9 9 ASP H H 9 8.460 8.601 -0.141 1
1 9 . 6 1 1 A 9 9 ASP CA C 9 54.943 53.221 1.722 1
1 10 . 6 1 1 A 9 9 ASP HA H 9 4.730 4.686 0.044 1
1 11 . 6 1 1 A 9 9 ASP CB C 9 41.125 41.715 -0.590 1
1 13 . 6 1 1 A 9 9 ASP C C 9 176.845 176.010 0.835 1
1 15 . 6 1 1 A 10 10 ASP N N 10 120.929 118.105 2.824 1
1 16 . 6 1 1 A 10 10 ASP H H 10 8.121 8.969 -0.848 1
1 17 . 6 1 1 A 10 10 ASP CA C 10 55.841 53.462 2.379 1
1 18 . 6 1 1 A 10 10 ASP HA H 10 4.523 5.134 -0.611 1
1 19 . 6 1 1 A 10 10 ASP CB C 10 41.834 41.791 0.043 1
1 21 . 6 1 1 A 10 10 ASP C C 10 177.047 176.476 0.571 1
1 23 . 6 1 1 A 11 11 ALA N N 11 122.815 122.409 0.406 1
1 24 . 6 1 1 A 11 11 ALA H H 11 8.520 7.730 0.790 1
1 25 . 6 1 1 A 11 11 ALA CA C 11 54.828 54.811 0.017 1
1 26 . 6 1 1 A 11 11 ALA HA H 11 4.004 3.734 0.270 1
1 27 . 6 1 1 A 11 11 ALA CB C 11 19.454 18.642 0.812 1
1 31 . 6 1 1 A 11 11 ALA C C 11 179.280 178.885 0.395 1
1 32 . 6 1 1 A 12 12 ARG N N 12 115.782 116.490 -0.708 1
1 33 . 6 1 1 A 12 12 ARG H H 12 8.159 7.977 0.182 1
1 34 . 6 1 1 A 12 12 ARG CA C 12 57.578 58.014 -0.436 1
1 35 . 6 1 1 A 12 12 ARG HA H 12 4.310 4.170 0.140 1
1 36 . 6 1 1 A 12 12 ARG CB C 12 29.817 30.527 -0.710 1
1 42 . 6 1 1 A 12 12 ARG C C 12 176.412 177.297 -0.885 1
1 46 . 6 1 1 A 13 13 ARG N N 13 117.438 117.335 0.103 1
1 47 . 6 1 1 A 13 13 ARG H H 13 7.858 7.600 0.258 1
1 48 . 6 1 1 A 13 13 ARG CA C 13 56.855 55.304 1.551 1
1 49 . 6 1 1 A 13 13 ARG HA H 13 4.183 4.358 -0.175 1
1 50 . 6 1 1 A 13 13 ARG CB C 13 30.976 28.692 2.284 1
1 56 . 6 1 1 A 13 13 ARG C C 13 176.451 174.289 2.162 1
1 60 . 6 1 1 A 14 14 LEU N N 14 121.077 122.053 -0.976 1
1 61 . 6 1 1 A 14 14 LEU H H 14 6.925 7.571 -0.646 1
1 62 . 6 1 1 A 14 14 LEU CA C 14 56.582 53.548 3.034 1
1 63 . 6 1 1 A 14 14 LEU HA H 14 4.394 4.979 -0.585 1
1 64 . 6 1 1 A 14 14 LEU CB C 14 42.968 46.012 -3.044 1
1 76 . 6 1 1 A 14 14 LEU C C 14 177.296 175.425 1.871 1
1 78 . 6 1 1 A 15 15 THR N N 15 115.028 120.319 -5.291 1
1 79 . 6 1 1 A 15 15 THR H H 15 8.716 8.660 0.056 1
1 80 . 6 1 1 A 15 15 THR CA C 15 61.169 61.501 -0.332 1
1 81 . 6 1 1 A 15 15 THR HA H 15 4.667 5.156 -0.489 1
1 82 . 6 1 1 A 15 15 THR CB C 15 71.348 71.723 -0.375 1
1 88 . 6 1 1 A 15 15 THR C C 15 173.454 173.114 0.340 1
1 89 . 6 1 1 A 16 16 VAL N N 16 126.736 126.452 0.284 1
1 90 . 6 1 1 A 16 16 VAL H H 16 8.727 8.783 -0.056 1
1 91 . 6 1 1 A 16 16 VAL CA C 16 62.600 61.375 1.225 1
1 92 . 6 1 1 A 16 16 VAL HA H 16 4.539 4.390 0.149 1
1 93 . 6 1 1 A 16 16 VAL CB C 16 32.521 32.874 -0.353 1
1 103 . 6 1 1 A 16 16 VAL C C 16 175.348 175.141 0.207 1
1 104 . 6 1 1 A 17 17 MET N N 17 126.444 124.849 1.595 1
1 105 . 6 1 1 A 17 17 MET H H 17 9.255 9.051 0.204 1
1 106 . 6 1 1 A 17 17 MET CA C 17 54.872 53.902 0.970 1
1 107 . 6 1 1 A 17 17 MET HA H 17 4.806 4.911 -0.105 1
1 108 . 6 1 1 A 17 17 MET CB C 17 35.443 35.847 -0.404 1
1 116 . 6 1 1 A 17 17 MET C C 17 174.681 176.469 -1.788 1
1 119 . 6 1 1 A 18 18 SER N N 18 112.443 117.808 -5.365 1
1 120 . 6 1 1 A 18 18 SER H H 18 8.568 8.829 -0.261 1
1 121 . 6 1 1 A 18 18 SER CA C 18 58.711 59.176 -0.465 1
1 122 . 6 1 1 A 18 18 SER HA H 18 4.018 4.161 -0.143 1
1 123 . 6 1 1 A 18 18 SER CB C 18 62.009 61.090 0.919 1
1 125 . 6 1 1 A 18 18 SER C C 18 173.373 173.856 -0.483 1
1 127 . 6 1 1 A 19 19 LEU N N 19 122.011 123.835 -1.824 1
1 128 . 6 1 1 A 19 19 LEU H H 19 7.996 7.654 0.342 1
1 129 . 6 1 1 A 19 19 LEU CA C 19 54.978 53.718 1.260 1
1 130 . 6 1 1 A 19 19 LEU HA H 19 4.283 4.877 -0.594 1
1 131 . 6 1 1 A 19 19 LEU CB C 19 41.955 44.651 -2.696 1
1 143 . 6 1 1 A 19 19 LEU C C 19 176.135 175.904 0.231 1
1 145 . 6 1 1 A 20 20 GLN N N 20 127.739 124.389 3.350 1
1 146 . 6 1 1 A 20 20 GLN H H 20 8.669 8.522 0.147 1
1 147 . 6 1 1 A 20 20 GLN CA C 20 55.617 53.816 1.801 1
1 148 . 6 1 1 A 20 20 GLN HA H 20 4.400 4.641 -0.241 1
1 149 . 6 1 1 A 20 20 GLN CB C 20 29.298 30.073 -0.775 1
1 156 . 6 1 1 A 20 20 GLN C C 20 175.033 175.681 -0.648 1
1 159 . 6 1 1 A 21 21 GLU N N 21 121.152 118.251 2.901 1
1 160 . 6 1 1 A 21 21 GLU H H 21 8.546 9.072 -0.526 1
1 161 . 6 1 1 A 21 21 GLU CA C 21 57.598 57.388 0.210 1
1 162 . 6 1 1 A 21 21 GLU HA H 21 4.310 4.662 -0.352 1
1 163 . 6 1 1 A 21 21 GLU CB C 21 30.764 31.873 -1.109 1
1 167 . 6 1 1 A 21 21 GLU C C 21 176.581 176.694 -0.113 1
1 170 . 6 1 1 A 22 22 SER N N 22 113.328 113.251 0.077 1
1 171 . 6 1 1 A 22 22 SER H H 22 8.018 8.068 -0.050 1
1 172 . 6 1 1 A 22 22 SER CA C 22 57.682 57.232 0.450 1
1 173 . 6 1 1 A 22 22 SER HA H 22 4.997 5.158 -0.161 1
1 174 . 6 1 1 A 22 22 SER CB C 22 64.489 63.824 0.665 1
1 176 . 6 1 1 A 22 22 SER C C 22 174.062 175.642 -1.580 1
1 178 . 6 1 1 A 23 23 GLY N N 23 109.317 110.061 -0.744 1
1 179 . 6 1 1 A 23 23 GLY H H 23 8.828 8.003 0.825 1
1 180 . 6 1 1 A 23 23 GLY CA C 23 45.609 45.322 0.287 1
1 181 . 6 1 1 A 23 23 GLY HA3 H 23 4.116 3.966 0.150 1
1 182 . 6 1 1 A 23 23 GLY C C 23 174.629 174.142 0.487 1
1 183 . 6 1 1 A 23 23 GLY HA2 H 23 3.832 3.966 -0.134 1
1 184 . 6 1 1 A 24 24 LEU N N 24 120.545 120.541 0.004 1
1 185 . 6 1 1 A 24 24 LEU H H 24 7.559 7.291 0.268 1
1 186 . 6 1 1 A 24 24 LEU CA C 24 55.569 54.992 0.577 1
1 187 . 6 1 1 A 24 24 LEU HA H 24 4.310 4.375 -0.065 1
1 188 . 6 1 1 A 24 24 LEU CB C 24 42.978 42.069 0.909 1
1 200 . 6 1 1 A 24 24 LEU C C 24 176.704 175.729 0.975 1
1 202 . 6 1 1 A 25 25 LYS N N 25 122.188 118.815 3.373 1
1 203 . 6 1 1 A 25 25 LYS H H 25 8.828 8.449 0.379 1
1 204 . 6 1 1 A 25 25 LYS CA C 25 54.686 54.553 0.133 1
1 205 . 6 1 1 A 25 25 LYS HA H 25 4.676 4.958 -0.282 1
1 206 . 6 1 1 A 25 25 LYS CB C 25 35.736 36.202 -0.466 1
1 214 . 6 1 1 A 25 25 LYS C C 25 175.885 176.119 -0.234 1
1 219 . 6 1 1 A 26 26 VAL N N 26 121.689 122.327 -0.638 1
1 220 . 6 1 1 A 26 26 VAL H H 26 8.503 8.633 -0.130 1
1 221 . 6 1 1 A 26 26 VAL CA C 26 64.069 62.082 1.987 1
1 222 . 6 1 1 A 26 26 VAL HA H 26 3.218 4.028 -0.810 1
1 223 . 6 1 1 A 26 26 VAL CB C 26 31.636 32.123 -0.487 1
1 233 . 6 1 1 A 26 26 VAL C C 26 175.837 175.716 0.121 1
1 234 . 6 1 1 A 27 27 ASN N N 27 116.772 119.169 -2.397 1
1 235 . 6 1 1 A 27 27 ASN H H 27 8.682 8.955 -0.273 1
1 236 . 6 1 1 A 27 27 ASN CA C 27 55.183 54.368 0.815 1
1 237 . 6 1 1 A 27 27 ASN HA H 27 4.138 4.394 -0.256 1
1 238 . 6 1 1 A 27 27 ASN CB C 27 37.242 37.269 -0.027 1
1 243 . 6 1 1 A 27 27 ASN C C 27 173.308 173.864 -0.556 1
1 245 . 6 1 1 A 28 28 GLN N N 28 118.793 117.063 1.730 1
1 246 . 6 1 1 A 28 28 GLN H H 28 7.544 7.605 -0.061 1
1 247 . 6 1 1 A 28 28 GLN CA C 28 52.212 52.422 -0.210 1
1 248 . 6 1 1 A 28 28 GLN HA H 28 4.893 4.713 0.180 1
1 249 . 6 1 1 A 28 28 GLN CB C 28 30.060 30.859 -0.799 1
1 256 . 6 1 1 A 28 28 GLN C C 28 173.078 173.380 -0.302 1
1 259 . 6 1 1 A 29 29 PRO CA C 29 63.563 62.840 0.723 1
1 260 . 6 1 1 A 29 29 PRO HA H 29 4.294 4.536 -0.242 1
1 261 . 6 1 1 A 29 29 PRO CB C 29 31.874 31.611 0.263 1
1 267 . 6 1 1 A 29 29 PRO C C 29 175.250 175.654 -0.404 1
1 271 . 6 1 1 A 30 30 ALA N N 30 128.803 126.700 2.103 1
1 272 . 6 1 1 A 30 30 ALA H H 30 8.887 8.068 0.819 1
1 273 . 6 1 1 A 30 30 ALA CA C 30 50.558 50.608 -0.050 1
1 274 . 6 1 1 A 30 30 ALA HA H 30 4.539 4.841 -0.302 1
1 275 . 6 1 1 A 30 30 ALA CB C 30 21.602 20.960 0.642 1
1 279 . 6 1 1 A 30 30 ALA C C 30 175.510 175.756 -0.246 1
1 280 . 6 1 1 A 31 31 SER N N 31 112.512 116.339 -3.827 1
1 281 . 6 1 1 A 31 31 SER H H 31 8.214 8.919 -0.705 1
1 282 . 6 1 1 A 31 31 SER CA C 31 56.701 55.809 0.892 1
1 283 . 6 1 1 A 31 31 SER HA H 31 5.832 5.823 0.009 1
1 284 . 6 1 1 A 31 31 SER CB C 31 66.721 66.248 0.473 1
1 286 . 6 1 1 A 31 31 SER C C 31 173.379 173.979 -0.600 1
1 288 . 6 1 1 A 32 32 PHE N N 32 119.232 118.326 0.906 1
1 289 . 6 1 1 A 32 32 PHE H H 32 8.798 8.289 0.509 1
1 290 . 6 1 1 A 32 32 PHE CA C 32 56.218 55.313 0.905 1
1 291 . 6 1 1 A 32 32 PHE HA H 32 4.925 5.686 -0.761 1
1 292 . 6 1 1 A 32 32 PHE CB C 32 39.752 41.867 -2.115 1
1 304 . 6 1 1 A 32 32 PHE C C 32 172.709 173.071 -0.362 1
1 306 . 6 1 1 A 33 33 ALA N N 33 122.788 122.064 0.724 1
1 307 . 6 1 1 A 33 33 ALA H H 33 8.827 8.997 -0.170 1
1 308 . 6 1 1 A 33 33 ALA CA C 33 50.616 49.958 0.658 1
1 309 . 6 1 1 A 33 33 ALA HA H 33 5.654 5.847 -0.193 1
1 310 . 6 1 1 A 33 33 ALA CB C 33 22.616 22.468 0.148 1
1 314 . 6 1 1 A 33 33 ALA C C 33 175.770 175.748 0.022 1
1 315 . 6 1 1 A 34 34 ILE N N 34 118.542 122.268 -3.726 1
1 316 . 6 1 1 A 34 34 ILE H H 34 9.194 9.701 -0.507 1
1 317 . 6 1 1 A 34 34 ILE CA C 34 59.486 60.511 -1.025 1
1 318 . 6 1 1 A 34 34 ILE HA H 34 4.978 4.682 0.296 1
1 319 . 6 1 1 A 34 34 ILE CB C 34 42.577 39.718 2.859 1
1 331 . 6 1 1 A 34 34 ILE C C 34 174.924 174.654 0.270 1
1 333 . 6 1 1 A 35 35 ARG N N 35 126.774 128.908 -2.134 1
1 334 . 6 1 1 A 35 35 ARG H H 35 9.038 9.113 -0.075 1
1 335 . 6 1 1 A 35 35 ARG CA C 35 54.096 56.102 -2.006 1
1 336 . 6 1 1 A 35 35 ARG HA H 35 5.283 4.721 0.562 1
1 337 . 6 1 1 A 35 35 ARG CB C 35 32.039 31.407 0.632 1
1 343 . 6 1 1 A 35 35 ARG C C 35 175.959 174.937 1.022 1
1 347 . 6 1 1 A 36 36 LEU N N 36 123.887 127.191 -3.304 1
1 348 . 6 1 1 A 36 36 LEU H H 36 8.648 8.770 -0.122 1
1 349 . 6 1 1 A 36 36 LEU CA C 36 56.318 53.508 2.810 1
1 350 . 6 1 1 A 36 36 LEU HA H 36 4.037 4.907 -0.870 1
1 351 . 6 1 1 A 36 36 LEU CB C 36 41.028 43.600 -2.572 1
1 363 . 6 1 1 A 36 36 LEU C C 36 177.292 176.391 0.901 1
1 365 . 6 1 1 A 37 37 ASN N N 37 115.087 122.644 -7.557 1
1 366 . 6 1 1 A 37 37 ASN H H 37 8.594 8.578 0.016 1
1 367 . 6 1 1 A 37 37 ASN CA C 37 54.182 53.091 1.091 1
1 368 . 6 1 1 A 37 37 ASN HA H 37 4.407 4.855 -0.448 1
1 369 . 6 1 1 A 37 37 ASN CB C 37 37.687 38.773 -1.086 1
1 374 . 6 1 1 A 37 37 ASN C C 37 176.277 175.687 0.590 1
1 376 . 6 1 1 A 38 38 GLY N N 38 106.329 107.646 -1.317 1
1 377 . 6 1 1 A 38 38 GLY H H 38 9.506 7.973 1.533 1
1 378 . 6 1 1 A 38 38 GLY CA C 38 45.290 45.582 -0.292 1
1 379 . 6 1 1 A 38 38 GLY HA3 H 38 4.156 4.011 0.145 1
1 380 . 6 1 1 A 38 38 GLY C C 38 174.483 174.361 0.122 1
1 381 . 6 1 1 A 38 38 GLY HA2 H 38 3.617 3.997 -0.380 1
1 382 . 6 1 1 A 39 39 ALA N N 39 124.015 123.462 0.553 1
1 383 . 6 1 1 A 39 39 ALA H H 39 7.483 7.904 -0.421 1
1 384 . 6 1 1 A 39 39 ALA CA C 39 52.396 51.383 1.013 1
1 385 . 6 1 1 A 39 39 ALA HA H 39 4.280 4.360 -0.080 1
1 386 . 6 1 1 A 39 39 ALA CB C 39 20.424 19.833 0.591 1
1 390 . 6 1 1 A 39 39 ALA C C 39 176.275 177.711 -1.436 1
1 391 . 6 1 1 A 40 40 LYS N N 40 119.513 119.645 -0.132 1
1 392 . 6 1 1 A 40 40 LYS H H 40 8.685 8.712 -0.027 1
1 393 . 6 1 1 A 40 40 LYS CA C 40 54.696 54.880 -0.184 1
1 394 . 6 1 1 A 40 40 LYS HA H 40 4.811 5.224 -0.413 1
1 395 . 6 1 1 A 40 40 LYS CB C 40 34.324 35.634 -1.310 1
1 403 . 6 1 1 A 40 40 LYS C C 40 176.004 175.574 0.430 1
1 408 . 6 1 1 A 41 41 GLY N N 41 111.941 106.935 5.006 1
1 409 . 6 1 1 A 41 41 GLY H H 41 8.398 8.362 0.036 1
1 410 . 6 1 1 A 41 41 GLY CA C 41 45.887 45.564 0.323 1
1 411 . 6 1 1 A 41 41 GLY HA3 H 41 3.722 4.134 -0.412 1
1 412 . 6 1 1 A 41 41 GLY C C 41 171.021 171.139 -0.118 1
1 413 . 6 1 1 A 41 41 GLY HA2 H 41 3.722 3.945 -0.223 1
1 414 . 6 1 1 A 42 42 LYS N N 42 119.600 122.535 -2.935 1
1 415 . 6 1 1 A 42 42 LYS H H 42 7.293 7.649 -0.356 1
1 416 . 6 1 1 A 42 42 LYS CA C 42 54.522 54.907 -0.385 1
1 417 . 6 1 1 A 42 42 LYS HA H 42 4.467 4.795 -0.328 1
1 418 . 6 1 1 A 42 42 LYS CB C 42 34.979 36.278 -1.299 1
1 426 . 6 1 1 A 42 42 LYS C C 42 175.675 173.686 1.989 1
1 431 . 6 1 1 A 43 43 ILE N N 43 127.421 125.021 2.400 1
1 432 . 6 1 1 A 43 43 ILE H H 43 8.706 8.634 0.072 1
1 433 . 6 1 1 A 43 43 ILE CA C 43 60.336 60.284 0.052 1
1 434 . 6 1 1 A 43 43 ILE HA H 43 4.695 4.861 -0.166 1
1 435 . 6 1 1 A 43 43 ILE CB C 43 39.322 40.524 -1.202 1
1 447 . 6 1 1 A 43 43 ILE C C 43 174.542 174.473 0.069 1
1 449 . 6 1 1 A 44 44 ASP N N 44 127.995 127.153 0.842 1
1 450 . 6 1 1 A 44 44 ASP H H 44 8.861 9.142 -0.281 1
1 451 . 6 1 1 A 44 44 ASP CA C 44 53.245 52.736 0.509 1
1 452 . 6 1 1 A 44 44 ASP HA H 44 4.817 5.402 -0.585 1
1 453 . 6 1 1 A 44 44 ASP CB C 44 44.577 43.352 1.225 1
1 455 . 6 1 1 A 44 44 ASP C C 44 173.768 174.945 -1.177 1
1 457 . 6 1 1 A 45 45 ALA N N 45 127.601 127.020 0.581 1
1 458 . 6 1 1 A 45 45 ALA H H 45 8.819 8.967 -0.148 1
1 459 . 6 1 1 A 45 45 ALA CA C 45 50.180 50.448 -0.268 1
1 460 . 6 1 1 A 45 45 ALA HA H 45 5.859 5.431 0.428 1
1 461 . 6 1 1 A 45 45 ALA CB C 45 21.379 21.853 -0.474 1
1 465 . 6 1 1 A 45 45 ALA C C 45 175.393 176.330 -0.937 1
1 466 . 6 1 1 A 46 46 LYS N N 46 122.427 122.248 0.179 1
1 467 . 6 1 1 A 46 46 LYS H H 46 8.723 8.354 0.369 1
1 468 . 6 1 1 A 46 46 LYS CA C 46 55.090 54.978 0.112 1
1 469 . 6 1 1 A 46 46 LYS HA H 46 5.057 4.907 0.150 1
1 470 . 6 1 1 A 46 46 LYS CB C 46 37.534 36.448 1.086 1
1 478 . 6 1 1 A 46 46 LYS C C 46 173.473 174.488 -1.015 1
1 483 . 6 1 1 A 47 47 VAL N N 47 120.177 123.158 -2.981 1
1 484 . 6 1 1 A 47 47 VAL H H 47 8.989 8.957 0.032 1
1 485 . 6 1 1 A 47 47 VAL CA C 47 59.152 60.404 -1.252 1
1 486 . 6 1 1 A 47 47 VAL HA H 47 4.875 4.682 0.193 1
1 487 . 6 1 1 A 47 47 VAL CB C 47 34.502 33.782 0.720 1
1 497 . 6 1 1 A 47 47 VAL C C 47 173.786 174.925 -1.139 1
1 498 . 6 1 1 A 48 48 HIS N N 48 127.949 128.454 -0.505 1
1 499 . 6 1 1 A 48 48 HIS H H 48 9.661 9.232 0.429 1
1 500 . 6 1 1 A 48 48 HIS CA C 48 53.917 56.120 -2.203 1
1 501 . 6 1 1 A 48 48 HIS HA H 48 5.238 5.064 0.174 1
1 502 . 6 1 1 A 48 48 HIS CB C 48 30.549 32.240 -1.691 1
1 508 . 6 1 1 A 48 48 HIS C C 48 175.556 174.802 0.754 1
1 510 . 6 1 1 A 49 49 SER N N 49 121.639 115.280 6.359 1
1 511 . 6 1 1 A 49 49 SER H H 49 9.114 8.647 0.467 1
1 512 . 6 1 1 A 49 49 SER CA C 49 56.693 55.538 1.155 1
1 513 . 6 1 1 A 49 49 SER HA H 49 4.391 4.915 -0.524 1
1 514 . 6 1 1 A 49 49 SER CB C 49 63.160 65.911 -2.751 1
1 516 . 6 1 1 A 49 49 SER C C 49 174.390 174.686 -0.296 1
1 518 . 6 1 1 A 50 50 PRO CA C 50 65.732 64.275 1.457 1
1 519 . 6 1 1 A 50 50 PRO HA H 50 4.247 4.500 -0.253 1
1 520 . 6 1 1 A 50 50 PRO CB C 50 31.516 31.728 -0.212 1
1 526 . 6 1 1 A 50 50 PRO C C 50 177.969 177.390 0.579 1
1 530 . 6 1 1 A 51 51 SER N N 51 110.808 112.014 -1.206 1
1 531 . 6 1 1 A 51 51 SER H H 51 8.539 8.014 0.525 1
1 532 . 6 1 1 A 51 51 SER CA C 51 59.311 58.861 0.450 1
1 533 . 6 1 1 A 51 51 SER HA H 51 4.331 4.511 -0.180 1
1 534 . 6 1 1 A 51 51 SER CB C 51 62.767 63.958 -1.191 1
1 536 . 6 1 1 A 51 51 SER C C 51 175.339 174.556 0.783 1
1 538 . 6 1 1 A 52 52 GLY N N 52 110.692 108.697 1.995 1
1 539 . 6 1 1 A 52 52 GLY H H 52 8.181 7.996 0.185 1
1 540 . 6 1 1 A 52 52 GLY CA C 52 44.862 45.376 -0.514 1
1 541 . 6 1 1 A 52 52 GLY HA3 H 52 4.444 4.064 0.380 1
1 542 . 6 1 1 A 52 52 GLY C C 52 174.389 174.105 0.284 1
1 543 . 6 1 1 A 52 52 GLY HA2 H 52 3.634 4.046 -0.412 1
1 544 . 6 1 1 A 53 53 ALA N N 53 124.417 122.544 1.873 1
1 545 . 6 1 1 A 53 53 ALA H H 53 7.419 7.844 -0.425 1
1 546 . 6 1 1 A 53 53 ALA CA C 53 52.538 50.533 2.005 1
1 547 . 6 1 1 A 53 53 ALA HA H 53 4.373 4.725 -0.352 1
1 548 . 6 1 1 A 53 53 ALA CB C 53 19.207 21.621 -2.414 1
1 552 . 6 1 1 A 53 53 ALA C C 53 176.519 176.021 0.498 1
1 553 . 6 1 1 A 54 54 VAL N N 54 121.228 123.263 -2.035 1
1 554 . 6 1 1 A 54 54 VAL H H 54 8.429 8.959 -0.530 1
1 555 . 6 1 1 A 54 54 VAL CA C 54 60.672 61.354 -0.682 1
1 556 . 6 1 1 A 54 54 VAL HA H 54 4.980 4.479 0.501 1
1 557 . 6 1 1 A 54 54 VAL CB C 54 33.933 32.599 1.334 1
1 567 . 6 1 1 A 54 54 VAL C C 54 175.443 174.912 0.531 1
1 568 . 6 1 1 A 55 55 GLU N N 55 126.290 127.535 -1.245 1
1 569 . 6 1 1 A 55 55 GLU H H 55 8.640 8.986 -0.346 1
1 570 . 6 1 1 A 55 55 GLU CA C 55 54.306 54.529 -0.223 1
1 571 . 6 1 1 A 55 55 GLU HA H 55 4.754 4.805 -0.051 1
1 572 . 6 1 1 A 55 55 GLU CB C 55 33.612 31.909 1.703 1
1 576 . 6 1 1 A 55 55 GLU C C 55 175.073 176.058 -0.985 1
1 579 . 6 1 1 A 56 56 GLU N N 56 123.200 122.470 0.730 1
1 580 . 6 1 1 A 56 56 GLU H H 56 8.878 8.694 0.184 1
1 581 . 6 1 1 A 56 56 GLU CA C 56 56.966 56.612 0.354 1
1 582 . 6 1 1 A 56 56 GLU HA H 56 4.479 4.629 -0.150 1
1 583 . 6 1 1 A 56 56 GLU CB C 56 30.258 30.643 -0.385 1
1 587 . 6 1 1 A 56 56 GLU C C 56 177.592 176.119 1.473 1
1 590 . 6 1 1 A 57 57 CYS N N 57 121.919 123.183 -1.264 1
1 591 . 6 1 1 A 57 57 CYS H H 57 8.496 8.260 0.236 1
1 592 . 6 1 1 A 57 57 CYS CA C 57 59.030 58.136 0.894 1
1 593 . 6 1 1 A 57 57 CYS HA H 57 4.690 5.001 -0.311 1
1 594 . 6 1 1 A 57 57 CYS CB C 57 29.620 28.338 1.282 1
1 596 . 6 1 1 A 57 57 CYS C C 57 173.871 174.155 -0.284 1
1 598 . 6 1 1 A 58 58 HIS N N 58 123.415 124.452 -1.037 1
1 599 . 6 1 1 A 58 58 HIS H H 58 8.961 8.588 0.373 1
1 600 . 6 1 1 A 58 58 HIS CA C 58 56.751 56.566 0.185 1
1 601 . 6 1 1 A 58 58 HIS HA H 58 4.725 4.615 0.110 1
1 602 . 6 1 1 A 58 58 HIS CB C 58 31.813 29.850 1.963 1
1 608 . 6 1 1 A 58 58 HIS C C 58 174.903 173.682 1.221 1
1 610 . 6 1 1 A 59 59 VAL N N 59 128.900 128.297 0.603 1
1 611 . 6 1 1 A 59 59 VAL H H 59 8.521 8.688 -0.167 1
1 612 . 6 1 1 A 59 59 VAL CA C 59 61.131 59.939 1.192 1
1 613 . 6 1 1 A 59 59 VAL HA H 59 5.142 5.221 -0.079 1
1 614 . 6 1 1 A 59 59 VAL CB C 59 33.825 33.961 -0.136 1
1 624 . 6 1 1 A 59 59 VAL C C 59 175.539 173.384 2.155 1
1 625 . 6 1 1 A 60 60 SER N N 60 120.428 124.568 -4.140 1
1 626 . 6 1 1 A 60 60 SER H H 60 8.995 8.790 0.205 1
1 627 . 6 1 1 A 60 60 SER CA C 60 56.782 56.191 0.591 1
1 628 . 6 1 1 A 60 60 SER HA H 60 4.823 5.198 -0.375 1
1 629 . 6 1 1 A 60 60 SER CB C 60 65.880 65.733 0.147 1
1 631 . 6 1 1 A 60 60 SER C C 60 172.353 172.392 -0.039 1
1 633 . 6 1 1 A 61 61 GLU N N 61 125.163 125.583 -0.420 1
1 634 . 6 1 1 A 61 61 GLU H H 61 8.894 8.736 0.158 1
1 635 . 6 1 1 A 61 61 GLU CA C 61 57.081 55.080 2.001 1
1 636 . 6 1 1 A 61 61 GLU HA H 61 3.545 3.963 -0.418 1
1 637 . 6 1 1 A 61 61 GLU CB C 61 30.675 29.334 1.341 1
1 641 . 6 1 1 A 61 61 GLU C C 61 176.353 175.202 1.151 1
1 644 . 6 1 1 A 62 62 LEU N N 62 129.563 128.786 0.777 1
1 645 . 6 1 1 A 62 62 LEU H H 62 8.800 8.737 0.063 1
1 646 . 6 1 1 A 62 62 LEU CA C 62 56.462 55.900 0.562 1
1 647 . 6 1 1 A 62 62 LEU HA H 62 4.341 4.341 0.000 1
1 648 . 6 1 1 A 62 62 LEU CB C 62 44.020 42.729 1.291 1
1 660 . 6 1 1 A 62 62 LEU C C 62 176.662 176.800 -0.138 1
1 662 . 6 1 1 A 63 63 GLU N N 63 117.143 117.985 -0.842 1
1 663 . 6 1 1 A 63 63 GLU H H 63 8.292 7.289 1.003 1
1 664 . 6 1 1 A 63 63 GLU CA C 63 53.777 53.053 0.724 1
1 665 . 6 1 1 A 63 63 GLU HA H 63 4.655 4.689 -0.034 1
1 666 . 6 1 1 A 63 63 GLU CB C 63 29.768 31.029 -1.261 1
1 670 . 6 1 1 A 63 63 GLU C C 63 172.058 176.138 -4.080 1
1 673 . 6 1 1 A 64 64 PRO CA C 64 65.767 64.362 1.405 1
1 674 . 6 1 1 A 64 64 PRO HA H 64 4.227 4.546 -0.319 1
1 675 . 6 1 1 A 64 64 PRO CB C 64 31.005 31.866 -0.861 1
1 681 . 6 1 1 A 64 64 PRO C C 64 177.068 176.753 0.315 1
1 685 . 6 1 1 A 65 65 ASP N N 65 118.425 117.577 0.848 1
1 686 . 6 1 1 A 65 65 ASP H H 65 8.965 8.391 0.574 1
1 687 . 6 1 1 A 65 65 ASP CA C 65 55.827 53.550 2.277 1
1 688 . 6 1 1 A 65 65 ASP HA H 65 4.589 5.085 -0.496 1
1 689 . 6 1 1 A 65 65 ASP CB C 65 43.713 41.930 1.783 1
1 691 . 6 1 1 A 65 65 ASP C C 65 174.921 175.538 -0.617 1
1 693 . 6 1 1 A 66 66 LYS N N 66 120.940 119.017 1.923 1
1 694 . 6 1 1 A 66 66 LYS H H 66 8.476 7.507 0.969 1
1 695 . 6 1 1 A 66 66 LYS CA C 66 55.938 55.663 0.275 1
1 696 . 6 1 1 A 66 66 LYS HA H 66 5.476 5.274 0.202 1
1 697 . 6 1 1 A 66 66 LYS CB C 66 36.812 36.176 0.636 1
1 705 . 6 1 1 A 66 66 LYS C C 66 173.912 174.240 -0.328 1
1 710 . 6 1 1 A 67 67 TYR N N 67 126.047 123.467 2.580 1
1 711 . 6 1 1 A 67 67 TYR H H 67 9.291 8.673 0.618 1
1 712 . 6 1 1 A 67 67 TYR CA C 67 56.589 56.553 0.036 1
1 713 . 6 1 1 A 67 67 TYR HA H 67 5.136 5.229 -0.093 1
1 714 . 6 1 1 A 67 67 TYR CB C 67 41.933 43.207 -1.274 1
1 724 . 6 1 1 A 67 67 TYR C C 67 174.424 174.359 0.065 1
1 726 . 6 1 1 A 68 68 ALA N N 68 123.234 123.114 0.120 1
1 727 . 6 1 1 A 68 68 ALA H H 68 9.393 8.417 0.976 1
1 728 . 6 1 1 A 68 68 ALA CA C 68 50.620 50.277 0.343 1
1 729 . 6 1 1 A 68 68 ALA HA H 68 5.002 5.660 -0.658 1
1 730 . 6 1 1 A 68 68 ALA CB C 68 21.211 22.497 -1.286 1
1 734 . 6 1 1 A 68 68 ALA C C 68 176.258 175.782 0.476 1
1 735 . 6 1 1 A 69 69 VAL N N 69 121.910 121.335 0.575 1
1 736 . 6 1 1 A 69 69 VAL H H 69 8.412 8.755 -0.343 1
1 737 . 6 1 1 A 69 69 VAL CA C 69 61.147 61.280 -0.133 1
1 738 . 6 1 1 A 69 69 VAL HA H 69 4.587 4.712 -0.125 1
1 739 . 6 1 1 A 69 69 VAL CB C 69 32.409 34.287 -1.878 1
1 749 . 6 1 1 A 69 69 VAL C C 69 174.300 173.725 0.575 1
1 750 . 6 1 1 A 70 70 ARG N N 70 125.218 129.526 -4.308 1
1 751 . 6 1 1 A 70 70 ARG H H 70 8.926 9.392 -0.466 1
1 752 . 6 1 1 A 70 70 ARG CA C 70 54.404 54.835 -0.431 1
1 753 . 6 1 1 A 70 70 ARG HA H 70 5.665 4.913 0.752 1
1 754 . 6 1 1 A 70 70 ARG CB C 70 34.966 31.314 3.652 1
1 760 . 6 1 1 A 70 70 ARG C C 70 175.124 175.326 -0.202 1
1 764 . 6 1 1 A 71 71 PHE N N 71 120.657 120.558 0.099 1
1 765 . 6 1 1 A 71 71 PHE H H 71 8.780 8.737 0.043 1
1 766 . 6 1 1 A 71 71 PHE CA C 71 55.969 56.233 -0.264 1
1 767 . 6 1 1 A 71 71 PHE HA H 71 5.082 5.040 0.042 1
1 768 . 6 1 1 A 71 71 PHE CB C 71 41.335 41.350 -0.015 1
1 780 . 6 1 1 A 71 71 PHE C C 71 171.920 171.916 0.004 1
1 782 . 6 1 1 A 72 72 ILE N N 72 120.347 121.754 -1.407 1
1 783 . 6 1 1 A 72 72 ILE H H 72 8.714 8.863 -0.149 1
1 784 . 6 1 1 A 72 72 ILE CA C 72 57.669 57.741 -0.072 1
1 785 . 6 1 1 A 72 72 ILE HA H 72 4.469 4.346 0.123 1
1 786 . 6 1 1 A 72 72 ILE CB C 72 39.824 38.380 1.444 1
1 798 . 6 1 1 A 72 72 ILE C C 72 173.612 174.655 -1.043 1
1 800 . 6 1 1 A 73 73 PRO CA C 73 62.050 62.226 -0.176 1
1 801 . 6 1 1 A 73 73 PRO HA H 73 4.493 4.845 -0.352 1
1 802 . 6 1 1 A 73 73 PRO CB C 73 33.680 29.352 4.328 1
1 808 . 6 1 1 A 73 73 PRO C C 73 176.990 175.565 1.425 1
1 812 . 6 1 1 A 74 74 HIS N N 74 119.655 117.681 1.974 1
1 813 . 6 1 1 A 74 74 HIS H H 74 10.240 8.478 1.762 1
1 814 . 6 1 1 A 74 74 HIS CA C 74 54.660 53.810 0.850 1
1 815 . 6 1 1 A 74 74 HIS HA H 74 5.035 5.696 -0.661 1
1 816 . 6 1 1 A 74 74 HIS CB C 74 30.530 31.658 -1.128 1
1 822 . 6 1 1 A 74 74 HIS C C 74 173.624 174.101 -0.477 1
1 824 . 6 1 1 A 75 75 GLU N N 75 118.178 123.160 -4.982 1
1 825 . 6 1 1 A 75 75 GLU H H 75 7.772 8.836 -1.064 1
1 826 . 6 1 1 A 75 75 GLU CA C 75 54.166 54.275 -0.109 1
1 827 . 6 1 1 A 75 75 GLU HA H 75 4.654 4.852 -0.198 1
1 828 . 6 1 1 A 75 75 GLU CB C 75 33.422 33.518 -0.096 1
1 832 . 6 1 1 A 75 75 GLU C C 75 173.599 175.495 -1.896 1
1 835 . 6 1 1 A 76 76 ASN N N 76 116.760 117.138 -0.378 1
1 836 . 6 1 1 A 76 76 ASN H H 76 8.530 8.537 -0.007 1
1 837 . 6 1 1 A 76 76 ASN CA C 76 53.486 51.784 1.702 1
1 838 . 6 1 1 A 76 76 ASN HA H 76 4.606 5.136 -0.530 1
1 839 . 6 1 1 A 76 76 ASN CB C 76 40.184 38.934 1.250 1
1 844 . 6 1 1 A 76 76 ASN C C 76 175.598 175.127 0.471 1
1 846 . 6 1 1 A 77 77 GLY N N 77 106.497 107.973 -1.476 1
1 847 . 6 1 1 A 77 77 GLY H H 77 9.152 7.513 1.639 1
1 848 . 6 1 1 A 77 77 GLY CA C 77 43.752 46.211 -2.459 1
1 849 . 6 1 1 A 77 77 GLY HA3 H 77 4.797 4.132 0.665 1
1 850 . 6 1 1 A 77 77 GLY C C 77 176.329 171.881 4.448 1
1 851 . 6 1 1 A 77 77 GLY HA2 H 77 3.897 4.109 -0.212 1
1 852 . 6 1 1 A 78 78 VAL N N 78 124.582 122.271 2.311 1
1 853 . 6 1 1 A 78 78 VAL H H 78 9.334 8.348 0.986 1
1 854 . 6 1 1 A 78 78 VAL CA C 78 64.642 60.739 3.903 1
1 855 . 6 1 1 A 78 78 VAL HA H 78 4.399 5.104 -0.705 1
1 856 . 6 1 1 A 78 78 VAL CB C 78 31.464 34.383 -2.919 1
1 866 . 6 1 1 A 78 78 VAL C C 78 176.269 175.164 1.105 1
1 867 . 6 1 1 A 79 79 HIS N N 79 129.160 125.871 3.289 1
1 868 . 6 1 1 A 79 79 HIS H H 79 9.854 9.339 0.515 1
1 869 . 6 1 1 A 79 79 HIS CA C 79 55.150 55.502 -0.352 1
1 870 . 6 1 1 A 79 79 HIS HA H 79 4.921 5.373 -0.452 1
1 871 . 6 1 1 A 79 79 HIS CB C 79 30.772 32.186 -1.414 1
1 877 . 6 1 1 A 79 79 HIS C C 79 174.062 174.796 -0.734 1
1 879 . 6 1 1 A 80 80 THR N N 80 116.006 115.168 0.838 1
1 880 . 6 1 1 A 80 80 THR H H 80 8.526 8.850 -0.324 1
1 881 . 6 1 1 A 80 80 THR CA C 80 60.983 61.641 -0.658 1
1 882 . 6 1 1 A 80 80 THR HA H 80 5.380 5.312 0.068 1
1 883 . 6 1 1 A 80 80 THR CB C 80 70.590 71.449 -0.859 1
1 889 . 6 1 1 A 80 80 THR C C 80 173.671 173.192 0.479 1
1 890 . 6 1 1 A 81 81 ILE N N 81 127.414 128.684 -1.270 1
1 891 . 6 1 1 A 81 81 ILE H H 81 9.745 9.103 0.642 1
1 892 . 6 1 1 A 81 81 ILE CA C 81 60.037 60.514 -0.477 1
1 893 . 6 1 1 A 81 81 ILE HA H 81 4.867 4.596 0.271 1
1 894 . 6 1 1 A 81 81 ILE CB C 81 39.883 38.540 1.343 1
1 906 . 6 1 1 A 81 81 ILE C C 81 175.279 174.994 0.285 1
1 908 . 6 1 1 A 82 82 ASP N N 82 128.375 128.248 0.127 1
1 909 . 6 1 1 A 82 82 ASP H H 82 9.157 8.814 0.343 1
1 910 . 6 1 1 A 82 82 ASP CA C 82 53.084 52.719 0.365 1
1 911 . 6 1 1 A 82 82 ASP HA H 82 5.060 5.307 -0.247 1
1 912 . 6 1 1 A 82 82 ASP CB C 82 42.929 42.929 0.000 1
1 914 . 6 1 1 A 82 82 ASP C C 82 175.923 174.704 1.219 1
1 916 . 6 1 1 A 83 83 VAL N N 83 125.651 125.813 -0.162 1
1 917 . 6 1 1 A 83 83 VAL H H 83 9.897 9.096 0.801 1
1 918 . 6 1 1 A 83 83 VAL CA C 83 62.407 61.349 1.058 1
1 919 . 6 1 1 A 83 83 VAL HA H 83 4.553 4.719 -0.166 1
1 920 . 6 1 1 A 83 83 VAL CB C 83 33.233 33.048 0.185 1
1 930 . 6 1 1 A 83 83 VAL C C 83 173.327 175.021 -1.694 1
1 931 . 6 1 1 A 84 84 LYS N N 84 124.405 127.199 -2.794 1
1 932 . 6 1 1 A 84 84 LYS H H 84 8.874 8.786 0.088 1
1 933 . 6 1 1 A 84 84 LYS CA C 84 53.901 54.653 -0.752 1
1 934 . 6 1 1 A 84 84 LYS HA H 84 5.065 4.902 0.163 1
1 935 . 6 1 1 A 84 84 LYS CB C 84 36.851 35.580 1.271 1
1 943 . 6 1 1 A 84 84 LYS C C 84 174.760 175.140 -0.380 1
1 948 . 6 1 1 A 85 85 PHE N N 85 120.871 124.068 -3.197 1
1 949 . 6 1 1 A 85 85 PHE H H 85 9.167 9.126 0.041 1
1 950 . 6 1 1 A 85 85 PHE CA C 85 56.014 57.614 -1.600 1
1 951 . 6 1 1 A 85 85 PHE HA H 85 5.157 4.947 0.210 1
1 952 . 6 1 1 A 85 85 PHE CB C 85 42.916 42.043 0.873 1
1 964 . 6 1 1 A 85 85 PHE C C 85 175.473 174.718 0.755 1
1 966 . 6 1 1 A 86 86 ASN N N 86 126.732 125.518 1.214 1
1 967 . 6 1 1 A 86 86 ASN H H 86 8.714 9.119 -0.405 1
1 968 . 6 1 1 A 86 86 ASN CA C 86 53.835 53.986 -0.151 1
1 969 . 6 1 1 A 86 86 ASN HA H 86 4.216 4.284 -0.068 1
1 970 . 6 1 1 A 86 86 ASN CB C 86 36.789 37.372 -0.583 1
1 975 . 6 1 1 A 86 86 ASN C C 86 175.700 174.721 0.979 1
1 977 . 6 1 1 A 87 87 GLY N N 87 102.449 105.178 -2.729 1
1 978 . 6 1 1 A 87 87 GLY H H 87 8.986 8.665 0.321 1
1 979 . 6 1 1 A 87 87 GLY CA C 87 45.490 46.563 -1.073 1
1 980 . 6 1 1 A 87 87 GLY HA3 H 87 4.223 3.946 0.277 1
1 981 . 6 1 1 A 87 87 GLY C C 87 174.149 173.547 0.602 1
1 982 . 6 1 1 A 87 87 GLY HA2 H 87 3.555 3.935 -0.380 1
1 983 . 6 1 1 A 88 88 SER N N 88 116.260 113.500 2.760 1
1 984 . 6 1 1 A 88 88 SER H H 88 7.670 7.765 -0.095 1
1 985 . 6 1 1 A 88 88 SER CA C 88 57.194 57.713 -0.519 1
1 986 . 6 1 1 A 88 88 SER HA H 88 4.935 4.759 0.176 1
1 987 . 6 1 1 A 88 88 SER CB C 88 65.421 66.514 -1.093 1
1 989 . 6 1 1 A 88 88 SER C C 88 173.491 173.383 0.108 1
1 991 . 6 1 1 A 89 89 HIS N N 89 124.290 125.306 -1.016 1
1 992 . 6 1 1 A 89 89 HIS H H 89 8.847 8.826 0.021 1
1 993 . 6 1 1 A 89 89 HIS CA C 89 59.048 56.792 2.256 1
1 994 . 6 1 1 A 89 89 HIS HA H 89 4.543 4.898 -0.355 1
1 995 . 6 1 1 A 89 89 HIS CB C 89 32.463 30.270 2.193 1
1 1001 . 6 1 1 A 89 89 HIS C C 89 177.441 176.086 1.355 1
1 1003 . 6 1 1 A 90 90 VAL N N 90 116.253 121.053 -4.800 1
1 1004 . 6 1 1 A 90 90 VAL H H 90 8.283 8.227 0.056 1
1 1005 . 6 1 1 A 90 90 VAL CA C 90 60.279 62.260 -1.981 1
1 1006 . 6 1 1 A 90 90 VAL HA H 90 4.291 4.033 0.258 1
1 1007 . 6 1 1 A 90 90 VAL CB C 90 31.601 33.188 -1.587 1
1 1017 . 6 1 1 A 90 90 VAL C C 90 176.074 175.765 0.309 1
1 1018 . 6 1 1 A 91 91 VAL N N 91 123.139 119.519 3.620 1
1 1019 . 6 1 1 A 91 91 VAL H H 91 8.910 8.420 0.490 1
1 1020 . 6 1 1 A 91 91 VAL CA C 91 66.030 63.042 2.988 1
1 1021 . 6 1 1 A 91 91 VAL HA H 91 3.632 3.957 -0.325 1
1 1022 . 6 1 1 A 91 91 VAL CB C 91 30.897 31.583 -0.686 1
1 1032 . 6 1 1 A 91 91 VAL C C 91 177.012 176.323 0.689 1
1 1033 . 6 1 1 A 92 92 GLY N N 92 116.727 114.918 1.809 1
1 1034 . 6 1 1 A 92 92 GLY H H 92 8.396 8.706 -0.310 1
1 1035 . 6 1 1 A 92 92 GLY CA C 92 44.466 45.321 -0.855 1
1 1036 . 6 1 1 A 92 92 GLY HA3 H 92 4.180 3.751 0.429 1
1 1037 . 6 1 1 A 92 92 GLY C C 92 172.077 172.792 -0.715 1
1 1038 . 6 1 1 A 92 92 GLY HA2 H 92 3.221 3.709 -0.488 1
1 1039 . 6 1 1 A 93 93 SER N N 93 112.885 115.473 -2.588 1
1 1040 . 6 1 1 A 93 93 SER H H 93 7.484 7.079 0.405 1
1 1041 . 6 1 1 A 93 93 SER CA C 93 54.547 54.397 0.150 1
1 1042 . 6 1 1 A 93 93 SER HA H 93 4.065 4.300 -0.235 1
1 1043 . 6 1 1 A 93 93 SER CB C 93 62.575 65.073 -2.498 1
1 1045 . 6 1 1 A 93 93 SER C C 93 174.608 172.602 2.006 1
1 1047 . 6 1 1 A 94 94 PRO CA C 94 62.477 62.338 0.139 1
1 1048 . 6 1 1 A 94 94 PRO HA H 94 5.491 4.643 0.848 1
1 1049 . 6 1 1 A 94 94 PRO CB C 94 34.106 32.373 1.733 1
1 1055 . 6 1 1 A 94 94 PRO C C 94 176.779 175.378 1.401 1
1 1059 . 6 1 1 A 95 95 PHE N N 95 123.133 119.620 3.513 1
1 1060 . 6 1 1 A 95 95 PHE H H 95 9.200 8.371 0.829 1
1 1061 . 6 1 1 A 95 95 PHE CA C 95 57.291 57.484 -0.193 1
1 1062 . 6 1 1 A 95 95 PHE HA H 95 4.581 4.902 -0.321 1
1 1063 . 6 1 1 A 95 95 PHE CB C 95 41.165 41.457 -0.292 1
1 1075 . 6 1 1 A 95 95 PHE C C 95 175.687 174.778 0.909 1
1 1077 . 6 1 1 A 96 96 LYS N N 96 122.134 118.835 3.299 1
1 1078 . 6 1 1 A 96 96 LYS H H 96 8.790 9.216 -0.426 1
1 1079 . 6 1 1 A 96 96 LYS CA C 96 55.249 54.589 0.660 1
1 1080 . 6 1 1 A 96 96 LYS HA H 96 5.276 5.282 -0.006 1
1 1081 . 6 1 1 A 96 96 LYS CB C 96 33.836 35.599 -1.763 1
1 1089 . 6 1 1 A 96 96 LYS C C 96 176.515 175.446 1.069 1
1 1094 . 6 1 1 A 97 97 VAL N N 97 117.706 118.783 -1.077 1
1 1095 . 6 1 1 A 97 97 VAL H H 97 8.873 8.654 0.219 1
1 1096 . 6 1 1 A 97 97 VAL CA C 97 59.188 59.050 0.138 1
1 1097 . 6 1 1 A 97 97 VAL HA H 97 4.917 4.917 0.000 1
1 1098 . 6 1 1 A 97 97 VAL CB C 97 35.185 35.851 -0.666 1
1 1108 . 6 1 1 A 97 97 VAL C C 97 173.801 173.602 0.199 1
1 1109 . 6 1 1 A 98 98 ARG N N 98 125.203 123.344 1.859 1
1 1110 . 6 1 1 A 98 98 ARG H H 98 8.826 9.028 -0.202 1
1 1111 . 6 1 1 A 98 98 ARG CA C 98 56.337 54.796 1.541 1
1 1112 . 6 1 1 A 98 98 ARG HA H 98 4.610 5.127 -0.517 1
1 1113 . 6 1 1 A 98 98 ARG CB C 98 32.031 33.004 -0.973 1
1 1119 . 6 1 1 A 98 98 ARG C C 98 174.438 175.484 -1.046 1
1 1123 . 6 1 1 A 99 99 VAL N N 99 127.382 126.662 0.720 1
1 1124 . 6 1 1 A 99 99 VAL H H 99 8.144 8.813 -0.669 1
1 1125 . 6 1 1 A 99 99 VAL CA C 99 61.216 62.121 -0.905 1
1 1126 . 6 1 1 A 99 99 VAL HA H 99 4.115 4.535 -0.420 1
1 1127 . 6 1 1 A 99 99 VAL CB C 99 32.590 32.526 0.064 1
1 1137 . 6 1 1 A 99 99 VAL C C 99 176.994 175.208 1.786 1
1 1138 . 6 1 1 A 100 100 GLY N N 100 117.424 114.103 3.321 1
1 1139 . 6 1 1 A 100 100 GLY H H 100 8.682 8.405 0.277 1
1 1140 . 6 1 1 A 100 100 GLY CA C 100 44.650 45.582 -0.932 1
1 1141 . 6 1 1 A 100 100 GLY HA3 H 100 4.386 4.255 0.131 1
1 1142 . 6 1 1 A 100 100 GLY C C 100 173.180 172.085 1.095 1
1 1143 . 6 1 1 A 100 100 GLY HA2 H 100 3.954 4.254 -0.300 1
1 1144 . 6 1 1 A 101 101 GLU N N 101 119.495 119.754 -0.259 1
1 1145 . 6 1 1 A 101 101 GLU H H 101 8.383 8.599 -0.216 1
1 1146 . 6 1 1 A 101 101 GLU CA C 101 54.168 53.685 0.483 1
1 1147 . 6 1 1 A 101 101 GLU HA H 101 4.661 4.914 -0.253 1
1 1148 . 6 1 1 A 101 101 GLU CB C 101 29.836 31.767 -1.931 1
1 1152 . 6 1 1 A 101 101 GLU C C 101 175.458 176.462 -1.004 1
1 1155 . 6 1 1 A 102 102 PRO CA C 102 63.897 64.796 -0.899 1
1 1156 . 6 1 1 A 102 102 PRO HA H 102 4.361 4.448 -0.087 1
1 1157 . 6 1 1 A 102 102 PRO CB C 102 31.946 31.949 -0.003 1
1 1163 . 6 1 1 A 102 102 PRO C C 102 177.509 177.424 0.085 1
1 1167 . 6 1 1 A 103 103 GLY N N 103 109.378 105.685 3.693 1
1 1168 . 6 1 1 A 103 103 GLY H H 103 8.552 7.533 1.019 1
1 1169 . 6 1 1 A 103 103 GLY CA C 103 45.263 45.565 -0.302 1
1 1170 . 6 1 1 A 103 103 GLY HA3 H 103 3.962 4.010 -0.048 1
1 1171 . 6 1 1 A 103 103 GLY C C 103 174.277 174.267 0.010 1
1 1172 . 6 1 1 A 103 103 GLY HA2 H 103 3.962 4.009 -0.047 1
1 1173 . 6 1 1 A 104 104 GLN N N 104 119.735 119.567 0.168 1
1 1174 . 6 1 1 A 104 104 GLN H H 104 8.096 7.804 0.292 1
1 1175 . 6 1 1 A 104 104 GLN CA C 104 55.924 55.932 -0.008 1
1 1176 . 6 1 1 A 104 104 GLN HA H 104 4.339 4.695 -0.356 1
1 1177 . 6 1 1 A 104 104 GLN CB C 104 29.622 31.637 -2.015 1
1 1184 . 6 1 1 A 104 104 GLN C C 104 175.669 173.719 1.950 1
1 1187 . 6 1 1 A 105 105 ALA N N 105 125.603 127.420 -1.817 1
1 1188 . 6 1 1 A 105 105 ALA H H 105 8.389 8.454 -0.065 1
1 1189 . 6 1 1 A 105 105 ALA CA C 105 52.416 51.120 1.296 1
1 1190 . 6 1 1 A 105 105 ALA HA H 105 4.385 4.901 -0.516 1
1 1191 . 6 1 1 A 105 105 ALA CB C 105 19.608 23.441 -3.833 1
1 1195 . 6 1 1 A 105 105 ALA C C 105 176.971 176.296 0.675 1
1 1 . 7 1 1 A 8 8 SER CA C 8 59.066 59.706 -0.640 1
1 2 . 7 1 1 A 8 8 SER HA H 8 4.444 4.327 0.117 1
1 3 . 7 1 1 A 8 8 SER CB C 8 63.749 63.717 0.032 1
1 5 . 7 1 1 A 8 8 SER C C 8 174.832 174.714 0.118 1
1 7 . 7 1 1 A 9 9 ASP N N 9 122.244 124.157 -1.913 1
1 8 . 7 1 1 A 9 9 ASP H H 9 8.460 8.562 -0.102 1
1 9 . 7 1 1 A 9 9 ASP CA C 9 54.943 55.030 -0.087 1
1 10 . 7 1 1 A 9 9 ASP HA H 9 4.730 4.519 0.211 1
1 11 . 7 1 1 A 9 9 ASP CB C 9 41.125 41.239 -0.114 1
1 13 . 7 1 1 A 9 9 ASP C C 9 176.845 176.285 0.560 1
1 15 . 7 1 1 A 10 10 ASP N N 10 120.929 123.748 -2.819 1
1 16 . 7 1 1 A 10 10 ASP H H 10 8.121 9.164 -1.043 1
1 17 . 7 1 1 A 10 10 ASP CA C 10 55.841 53.739 2.102 1
1 18 . 7 1 1 A 10 10 ASP HA H 10 4.523 4.841 -0.318 1
1 19 . 7 1 1 A 10 10 ASP CB C 10 41.834 39.625 2.209 1
1 21 . 7 1 1 A 10 10 ASP C C 10 177.047 176.609 0.438 1
1 23 . 7 1 1 A 11 11 ALA N N 11 122.815 122.486 0.329 1
1 24 . 7 1 1 A 11 11 ALA H H 11 8.520 8.229 0.291 1
1 25 . 7 1 1 A 11 11 ALA CA C 11 54.828 54.817 0.011 1
1 26 . 7 1 1 A 11 11 ALA HA H 11 4.004 3.974 0.030 1
1 27 . 7 1 1 A 11 11 ALA CB C 11 19.454 18.518 0.936 1
1 31 . 7 1 1 A 11 11 ALA C C 11 179.280 179.190 0.090 1
1 32 . 7 1 1 A 12 12 ARG N N 12 115.782 117.029 -1.247 1
1 33 . 7 1 1 A 12 12 ARG H H 12 8.159 8.007 0.152 1
1 34 . 7 1 1 A 12 12 ARG CA C 12 57.578 58.119 -0.541 1
1 35 . 7 1 1 A 12 12 ARG HA H 12 4.310 4.198 0.112 1
1 36 . 7 1 1 A 12 12 ARG CB C 12 29.817 30.108 -0.291 1
1 42 . 7 1 1 A 12 12 ARG C C 12 176.412 177.529 -1.117 1
1 46 . 7 1 1 A 13 13 ARG N N 13 117.438 117.085 0.353 1
1 47 . 7 1 1 A 13 13 ARG H H 13 7.858 7.430 0.428 1
1 48 . 7 1 1 A 13 13 ARG CA C 13 56.855 55.573 1.282 1
1 49 . 7 1 1 A 13 13 ARG HA H 13 4.183 4.391 -0.208 1
1 50 . 7 1 1 A 13 13 ARG CB C 13 30.976 29.054 1.922 1
1 56 . 7 1 1 A 13 13 ARG C C 13 176.451 174.176 2.275 1
1 60 . 7 1 1 A 14 14 LEU N N 14 121.077 121.240 -0.163 1
1 61 . 7 1 1 A 14 14 LEU H H 14 6.925 7.490 -0.565 1
1 62 . 7 1 1 A 14 14 LEU CA C 14 56.582 53.590 2.992 1
1 63 . 7 1 1 A 14 14 LEU HA H 14 4.394 4.992 -0.598 1
1 64 . 7 1 1 A 14 14 LEU CB C 14 42.968 45.891 -2.923 1
1 76 . 7 1 1 A 14 14 LEU C C 14 177.296 175.128 2.168 1
1 78 . 7 1 1 A 15 15 THR N N 15 115.028 120.933 -5.905 1
1 79 . 7 1 1 A 15 15 THR H H 15 8.716 8.821 -0.105 1
1 80 . 7 1 1 A 15 15 THR CA C 15 61.169 61.345 -0.176 1
1 81 . 7 1 1 A 15 15 THR HA H 15 4.667 5.110 -0.443 1
1 82 . 7 1 1 A 15 15 THR CB C 15 71.348 71.749 -0.401 1
1 88 . 7 1 1 A 15 15 THR C C 15 173.454 173.134 0.320 1
1 89 . 7 1 1 A 16 16 VAL N N 16 126.736 125.904 0.832 1
1 90 . 7 1 1 A 16 16 VAL H H 16 8.727 8.811 -0.084 1
1 91 . 7 1 1 A 16 16 VAL CA C 16 62.600 61.094 1.506 1
1 92 . 7 1 1 A 16 16 VAL HA H 16 4.539 4.516 0.023 1
1 93 . 7 1 1 A 16 16 VAL CB C 16 32.521 32.346 0.175 1
1 103 . 7 1 1 A 16 16 VAL C C 16 175.348 175.128 0.220 1
1 104 . 7 1 1 A 17 17 MET N N 17 126.444 125.859 0.585 1
1 105 . 7 1 1 A 17 17 MET H H 17 9.255 9.126 0.129 1
1 106 . 7 1 1 A 17 17 MET CA C 17 54.872 54.553 0.319 1
1 107 . 7 1 1 A 17 17 MET HA H 17 4.806 4.757 0.049 1
1 108 . 7 1 1 A 17 17 MET CB C 17 35.443 34.233 1.210 1
1 116 . 7 1 1 A 17 17 MET C C 17 174.681 175.893 -1.212 1
1 119 . 7 1 1 A 18 18 SER N N 18 112.443 112.813 -0.370 1
1 120 . 7 1 1 A 18 18 SER H H 18 8.568 8.538 0.030 1
1 121 . 7 1 1 A 18 18 SER CA C 18 58.711 58.954 -0.243 1
1 122 . 7 1 1 A 18 18 SER HA H 18 4.018 4.017 0.001 1
1 123 . 7 1 1 A 18 18 SER CB C 18 62.009 61.553 0.456 1
1 125 . 7 1 1 A 18 18 SER C C 18 173.373 172.802 0.571 1
1 127 . 7 1 1 A 19 19 LEU N N 19 122.011 120.865 1.146 1
1 128 . 7 1 1 A 19 19 LEU H H 19 7.996 7.635 0.361 1
1 129 . 7 1 1 A 19 19 LEU CA C 19 54.978 53.924 1.054 1
1 130 . 7 1 1 A 19 19 LEU HA H 19 4.283 4.854 -0.571 1
1 131 . 7 1 1 A 19 19 LEU CB C 19 41.955 44.094 -2.139 1
1 143 . 7 1 1 A 19 19 LEU C C 19 176.135 175.244 0.891 1
1 145 . 7 1 1 A 20 20 GLN N N 20 127.739 126.653 1.086 1
1 146 . 7 1 1 A 20 20 GLN H H 20 8.669 8.708 -0.039 1
1 147 . 7 1 1 A 20 20 GLN CA C 20 55.617 55.331 0.286 1
1 148 . 7 1 1 A 20 20 GLN HA H 20 4.400 4.673 -0.273 1
1 149 . 7 1 1 A 20 20 GLN CB C 20 29.298 30.395 -1.097 1
1 156 . 7 1 1 A 20 20 GLN C C 20 175.033 174.984 0.049 1
1 159 . 7 1 1 A 21 21 GLU N N 21 121.152 125.312 -4.160 1
1 160 . 7 1 1 A 21 21 GLU H H 21 8.546 8.986 -0.440 1
1 161 . 7 1 1 A 21 21 GLU CA C 21 57.598 58.152 -0.554 1
1 162 . 7 1 1 A 21 21 GLU HA H 21 4.310 4.506 -0.196 1
1 163 . 7 1 1 A 21 21 GLU CB C 21 30.764 30.388 0.376 1
1 167 . 7 1 1 A 21 21 GLU C C 21 176.581 177.645 -1.064 1
1 170 . 7 1 1 A 22 22 SER N N 22 113.328 109.704 3.624 1
1 171 . 7 1 1 A 22 22 SER H H 22 8.018 7.924 0.094 1
1 172 . 7 1 1 A 22 22 SER CA C 22 57.682 56.971 0.711 1
1 173 . 7 1 1 A 22 22 SER HA H 22 4.997 4.857 0.140 1
1 174 . 7 1 1 A 22 22 SER CB C 22 64.489 63.343 1.146 1
1 176 . 7 1 1 A 22 22 SER C C 22 174.062 175.168 -1.106 1
1 178 . 7 1 1 A 23 23 GLY N N 23 109.317 109.736 -0.419 1
1 179 . 7 1 1 A 23 23 GLY H H 23 8.828 7.868 0.960 1
1 180 . 7 1 1 A 23 23 GLY CA C 23 45.609 45.688 -0.079 1
1 181 . 7 1 1 A 23 23 GLY HA3 H 23 4.116 4.099 0.017 1
1 182 . 7 1 1 A 23 23 GLY C C 23 174.629 173.912 0.717 1
1 183 . 7 1 1 A 23 23 GLY HA2 H 23 3.832 4.095 -0.263 1
1 184 . 7 1 1 A 24 24 LEU N N 24 120.545 120.450 0.095 1
1 185 . 7 1 1 A 24 24 LEU H H 24 7.559 7.436 0.123 1
1 186 . 7 1 1 A 24 24 LEU CA C 24 55.569 54.377 1.192 1
1 187 . 7 1 1 A 24 24 LEU HA H 24 4.310 4.589 -0.279 1
1 188 . 7 1 1 A 24 24 LEU CB C 24 42.978 42.323 0.655 1
1 200 . 7 1 1 A 24 24 LEU C C 24 176.704 175.842 0.862 1
1 202 . 7 1 1 A 25 25 LYS N N 25 122.188 119.092 3.096 1
1 203 . 7 1 1 A 25 25 LYS H H 25 8.828 8.584 0.244 1
1 204 . 7 1 1 A 25 25 LYS CA C 25 54.686 54.646 0.040 1
1 205 . 7 1 1 A 25 25 LYS HA H 25 4.676 5.099 -0.423 1
1 206 . 7 1 1 A 25 25 LYS CB C 25 35.736 36.189 -0.453 1
1 214 . 7 1 1 A 25 25 LYS C C 25 175.885 176.580 -0.695 1
1 219 . 7 1 1 A 26 26 VAL N N 26 121.689 123.691 -2.002 1
1 220 . 7 1 1 A 26 26 VAL H H 26 8.503 8.565 -0.062 1
1 221 . 7 1 1 A 26 26 VAL CA C 26 64.069 62.077 1.992 1
1 222 . 7 1 1 A 26 26 VAL HA H 26 3.218 4.165 -0.947 1
1 223 . 7 1 1 A 26 26 VAL CB C 26 31.636 32.613 -0.977 1
1 233 . 7 1 1 A 26 26 VAL C C 26 175.837 175.638 0.199 1
1 234 . 7 1 1 A 27 27 ASN N N 27 116.772 118.772 -2.000 1
1 235 . 7 1 1 A 27 27 ASN H H 27 8.682 9.003 -0.321 1
1 236 . 7 1 1 A 27 27 ASN CA C 27 55.183 54.264 0.919 1
1 237 . 7 1 1 A 27 27 ASN HA H 27 4.138 4.248 -0.110 1
1 238 . 7 1 1 A 27 27 ASN CB C 27 37.242 37.176 0.066 1
1 243 . 7 1 1 A 27 27 ASN C C 27 173.308 173.882 -0.574 1
1 245 . 7 1 1 A 28 28 GLN N N 28 118.793 116.763 2.030 1
1 246 . 7 1 1 A 28 28 GLN H H 28 7.544 7.658 -0.114 1
1 247 . 7 1 1 A 28 28 GLN CA C 28 52.212 52.469 -0.257 1
1 248 . 7 1 1 A 28 28 GLN HA H 28 4.893 4.712 0.181 1
1 249 . 7 1 1 A 28 28 GLN CB C 28 30.060 31.265 -1.205 1
1 256 . 7 1 1 A 28 28 GLN C C 28 173.078 173.243 -0.165 1
1 259 . 7 1 1 A 29 29 PRO CA C 29 63.563 62.867 0.696 1
1 260 . 7 1 1 A 29 29 PRO HA H 29 4.294 4.606 -0.312 1
1 261 . 7 1 1 A 29 29 PRO CB C 29 31.874 31.628 0.246 1
1 267 . 7 1 1 A 29 29 PRO C C 29 175.250 175.676 -0.426 1
1 271 . 7 1 1 A 30 30 ALA N N 30 128.803 126.689 2.114 1
1 272 . 7 1 1 A 30 30 ALA H H 30 8.887 8.056 0.831 1
1 273 . 7 1 1 A 30 30 ALA CA C 30 50.558 50.564 -0.006 1
1 274 . 7 1 1 A 30 30 ALA HA H 30 4.539 4.811 -0.272 1
1 275 . 7 1 1 A 30 30 ALA CB C 30 21.602 20.964 0.638 1
1 279 . 7 1 1 A 30 30 ALA C C 30 175.510 175.345 0.165 1
1 280 . 7 1 1 A 31 31 SER N N 31 112.512 117.485 -4.973 1
1 281 . 7 1 1 A 31 31 SER H H 31 8.214 8.809 -0.595 1
1 282 . 7 1 1 A 31 31 SER CA C 31 56.701 55.952 0.749 1
1 283 . 7 1 1 A 31 31 SER HA H 31 5.832 5.538 0.294 1
1 284 . 7 1 1 A 31 31 SER CB C 31 66.721 66.350 0.371 1
1 286 . 7 1 1 A 31 31 SER C C 31 173.379 172.608 0.771 1
1 288 . 7 1 1 A 32 32 PHE N N 32 119.232 119.241 -0.009 1
1 289 . 7 1 1 A 32 32 PHE H H 32 8.798 8.259 0.539 1
1 290 . 7 1 1 A 32 32 PHE CA C 32 56.218 55.767 0.451 1
1 291 . 7 1 1 A 32 32 PHE HA H 32 4.925 5.513 -0.588 1
1 292 . 7 1 1 A 32 32 PHE CB C 32 39.752 42.347 -2.595 1
1 304 . 7 1 1 A 32 32 PHE C C 32 172.709 172.254 0.455 1
1 306 . 7 1 1 A 33 33 ALA N N 33 122.788 122.082 0.706 1
1 307 . 7 1 1 A 33 33 ALA H H 33 8.827 8.977 -0.150 1
1 308 . 7 1 1 A 33 33 ALA CA C 33 50.616 50.014 0.602 1
1 309 . 7 1 1 A 33 33 ALA HA H 33 5.654 5.807 -0.153 1
1 310 . 7 1 1 A 33 33 ALA CB C 33 22.616 22.090 0.526 1
1 314 . 7 1 1 A 33 33 ALA C C 33 175.770 175.762 0.008 1
1 315 . 7 1 1 A 34 34 ILE N N 34 118.542 122.865 -4.323 1
1 316 . 7 1 1 A 34 34 ILE H H 34 9.194 8.740 0.454 1
1 317 . 7 1 1 A 34 34 ILE CA C 34 59.486 60.477 -0.991 1
1 318 . 7 1 1 A 34 34 ILE HA H 34 4.978 4.550 0.428 1
1 319 . 7 1 1 A 34 34 ILE CB C 34 42.577 38.707 3.870 1
1 331 . 7 1 1 A 34 34 ILE C C 34 174.924 175.081 -0.157 1
1 333 . 7 1 1 A 35 35 ARG N N 35 126.774 128.755 -1.981 1
1 334 . 7 1 1 A 35 35 ARG H H 35 9.038 8.987 0.051 1
1 335 . 7 1 1 A 35 35 ARG CA C 35 54.096 56.583 -2.487 1
1 336 . 7 1 1 A 35 35 ARG HA H 35 5.283 4.661 0.622 1
1 337 . 7 1 1 A 35 35 ARG CB C 35 32.039 30.993 1.046 1
1 343 . 7 1 1 A 35 35 ARG C C 35 175.959 175.046 0.913 1
1 347 . 7 1 1 A 36 36 LEU N N 36 123.887 127.382 -3.495 1
1 348 . 7 1 1 A 36 36 LEU H H 36 8.648 8.644 0.004 1
1 349 . 7 1 1 A 36 36 LEU CA C 36 56.318 53.473 2.845 1
1 350 . 7 1 1 A 36 36 LEU HA H 36 4.037 4.896 -0.859 1
1 351 . 7 1 1 A 36 36 LEU CB C 36 41.028 43.676 -2.648 1
1 363 . 7 1 1 A 36 36 LEU C C 36 177.292 176.444 0.848 1
1 365 . 7 1 1 A 37 37 ASN N N 37 115.087 122.419 -7.332 1
1 366 . 7 1 1 A 37 37 ASN H H 37 8.594 8.574 0.020 1
1 367 . 7 1 1 A 37 37 ASN CA C 37 54.182 53.133 1.049 1
1 368 . 7 1 1 A 37 37 ASN HA H 37 4.407 4.820 -0.413 1
1 369 . 7 1 1 A 37 37 ASN CB C 37 37.687 38.630 -0.943 1
1 374 . 7 1 1 A 37 37 ASN C C 37 176.277 175.722 0.555 1
1 376 . 7 1 1 A 38 38 GLY N N 38 106.329 107.729 -1.400 1
1 377 . 7 1 1 A 38 38 GLY H H 38 9.506 7.913 1.593 1
1 378 . 7 1 1 A 38 38 GLY CA C 38 45.290 45.570 -0.280 1
1 379 . 7 1 1 A 38 38 GLY HA3 H 38 4.156 4.027 0.129 1
1 380 . 7 1 1 A 38 38 GLY C C 38 174.483 174.268 0.215 1
1 381 . 7 1 1 A 38 38 GLY HA2 H 38 3.617 4.014 -0.397 1
1 382 . 7 1 1 A 39 39 ALA N N 39 124.015 123.272 0.743 1
1 383 . 7 1 1 A 39 39 ALA H H 39 7.483 7.861 -0.378 1
1 384 . 7 1 1 A 39 39 ALA CA C 39 52.396 51.124 1.272 1
1 385 . 7 1 1 A 39 39 ALA HA H 39 4.280 4.501 -0.221 1
1 386 . 7 1 1 A 39 39 ALA CB C 39 20.424 20.071 0.353 1
1 390 . 7 1 1 A 39 39 ALA C C 39 176.275 177.796 -1.521 1
1 391 . 7 1 1 A 40 40 LYS N N 40 119.513 119.730 -0.217 1
1 392 . 7 1 1 A 40 40 LYS H H 40 8.685 8.784 -0.099 1
1 393 . 7 1 1 A 40 40 LYS CA C 40 54.696 54.746 -0.050 1
1 394 . 7 1 1 A 40 40 LYS HA H 40 4.811 5.182 -0.371 1
1 395 . 7 1 1 A 40 40 LYS CB C 40 34.324 35.456 -1.132 1
1 403 . 7 1 1 A 40 40 LYS C C 40 176.004 175.445 0.559 1
1 408 . 7 1 1 A 41 41 GLY N N 41 111.941 107.136 4.805 1
1 409 . 7 1 1 A 41 41 GLY H H 41 8.398 8.303 0.095 1
1 410 . 7 1 1 A 41 41 GLY CA C 41 45.887 44.921 0.966 1
1 411 . 7 1 1 A 41 41 GLY HA3 H 41 3.722 4.101 -0.379 1
1 412 . 7 1 1 A 41 41 GLY C C 41 171.021 171.998 -0.977 1
1 413 . 7 1 1 A 41 41 GLY HA2 H 41 3.722 3.830 -0.108 1
1 414 . 7 1 1 A 42 42 LYS N N 42 119.600 121.909 -2.309 1
1 415 . 7 1 1 A 42 42 LYS H H 42 7.293 7.811 -0.518 1
1 416 . 7 1 1 A 42 42 LYS CA C 42 54.522 54.620 -0.098 1
1 417 . 7 1 1 A 42 42 LYS HA H 42 4.467 4.925 -0.458 1
1 418 . 7 1 1 A 42 42 LYS CB C 42 34.979 35.026 -0.047 1
1 426 . 7 1 1 A 42 42 LYS C C 42 175.675 175.340 0.335 1
1 431 . 7 1 1 A 43 43 ILE N N 43 127.421 124.945 2.476 1
1 432 . 7 1 1 A 43 43 ILE H H 43 8.706 8.924 -0.218 1
1 433 . 7 1 1 A 43 43 ILE CA C 43 60.336 59.912 0.424 1
1 434 . 7 1 1 A 43 43 ILE HA H 43 4.695 4.841 -0.146 1
1 435 . 7 1 1 A 43 43 ILE CB C 43 39.322 39.198 0.124 1
1 447 . 7 1 1 A 43 43 ILE C C 43 174.542 174.136 0.406 1
1 449 . 7 1 1 A 44 44 ASP N N 44 127.995 128.128 -0.133 1
1 450 . 7 1 1 A 44 44 ASP H H 44 8.861 8.815 0.046 1
1 451 . 7 1 1 A 44 44 ASP CA C 44 53.245 52.796 0.449 1
1 452 . 7 1 1 A 44 44 ASP HA H 44 4.817 5.550 -0.733 1
1 453 . 7 1 1 A 44 44 ASP CB C 44 44.577 44.649 -0.072 1
1 455 . 7 1 1 A 44 44 ASP C C 44 173.768 174.281 -0.513 1
1 457 . 7 1 1 A 45 45 ALA N N 45 127.601 127.690 -0.089 1
1 458 . 7 1 1 A 45 45 ALA H H 45 8.819 9.013 -0.194 1
1 459 . 7 1 1 A 45 45 ALA CA C 45 50.180 51.298 -1.118 1
1 460 . 7 1 1 A 45 45 ALA HA H 45 5.859 5.287 0.572 1
1 461 . 7 1 1 A 45 45 ALA CB C 45 21.379 21.710 -0.331 1
1 465 . 7 1 1 A 45 45 ALA C C 45 175.393 176.042 -0.649 1
1 466 . 7 1 1 A 46 46 LYS N N 46 122.427 122.177 0.250 1
1 467 . 7 1 1 A 46 46 LYS H H 46 8.723 8.663 0.060 1
1 468 . 7 1 1 A 46 46 LYS CA C 46 55.090 54.817 0.273 1
1 469 . 7 1 1 A 46 46 LYS HA H 46 5.057 4.983 0.074 1
1 470 . 7 1 1 A 46 46 LYS CB C 46 37.534 36.919 0.615 1
1 478 . 7 1 1 A 46 46 LYS C C 46 173.473 174.375 -0.902 1
1 483 . 7 1 1 A 47 47 VAL N N 47 120.177 121.864 -1.687 1
1 484 . 7 1 1 A 47 47 VAL H H 47 8.989 8.828 0.161 1
1 485 . 7 1 1 A 47 47 VAL CA C 47 59.152 59.868 -0.716 1
1 486 . 7 1 1 A 47 47 VAL HA H 47 4.875 4.751 0.124 1
1 487 . 7 1 1 A 47 47 VAL CB C 47 34.502 33.954 0.548 1
1 497 . 7 1 1 A 47 47 VAL C C 47 173.786 174.032 -0.246 1
1 498 . 7 1 1 A 48 48 HIS N N 48 127.949 128.240 -0.291 1
1 499 . 7 1 1 A 48 48 HIS H H 48 9.661 9.316 0.345 1
1 500 . 7 1 1 A 48 48 HIS CA C 48 53.917 55.140 -1.223 1
1 501 . 7 1 1 A 48 48 HIS HA H 48 5.238 5.174 0.064 1
1 502 . 7 1 1 A 48 48 HIS CB C 48 30.549 32.754 -2.205 1
1 508 . 7 1 1 A 48 48 HIS C C 48 175.556 174.705 0.851 1
1 510 . 7 1 1 A 49 49 SER N N 49 121.639 115.432 6.207 1
1 511 . 7 1 1 A 49 49 SER H H 49 9.114 8.312 0.802 1
1 512 . 7 1 1 A 49 49 SER CA C 49 56.693 55.448 1.245 1
1 513 . 7 1 1 A 49 49 SER HA H 49 4.391 4.881 -0.490 1
1 514 . 7 1 1 A 49 49 SER CB C 49 63.160 65.717 -2.557 1
1 516 . 7 1 1 A 49 49 SER C C 49 174.390 174.586 -0.196 1
1 518 . 7 1 1 A 50 50 PRO CA C 50 65.732 64.261 1.471 1
1 519 . 7 1 1 A 50 50 PRO HA H 50 4.247 4.484 -0.237 1
1 520 . 7 1 1 A 50 50 PRO CB C 50 31.516 31.716 -0.200 1
1 526 . 7 1 1 A 50 50 PRO C C 50 177.969 177.117 0.852 1
1 530 . 7 1 1 A 51 51 SER N N 51 110.808 110.686 0.122 1
1 531 . 7 1 1 A 51 51 SER H H 51 8.539 7.778 0.761 1
1 532 . 7 1 1 A 51 51 SER CA C 51 59.311 58.821 0.490 1
1 533 . 7 1 1 A 51 51 SER HA H 51 4.331 4.416 -0.085 1
1 534 . 7 1 1 A 51 51 SER CB C 51 62.767 64.781 -2.014 1
1 536 . 7 1 1 A 51 51 SER C C 51 175.339 174.968 0.371 1
1 538 . 7 1 1 A 52 52 GLY N N 52 110.692 110.014 0.678 1
1 539 . 7 1 1 A 52 52 GLY H H 52 8.181 7.943 0.238 1
1 540 . 7 1 1 A 52 52 GLY CA C 52 44.862 45.354 -0.492 1
1 541 . 7 1 1 A 52 52 GLY HA3 H 52 4.444 4.054 0.390 1
1 542 . 7 1 1 A 52 52 GLY C C 52 174.389 173.839 0.550 1
1 543 . 7 1 1 A 52 52 GLY HA2 H 52 3.634 4.044 -0.410 1
1 544 . 7 1 1 A 53 53 ALA N N 53 124.417 122.550 1.867 1
1 545 . 7 1 1 A 53 53 ALA H H 53 7.419 7.766 -0.347 1
1 546 . 7 1 1 A 53 53 ALA CA C 53 52.538 50.481 2.057 1
1 547 . 7 1 1 A 53 53 ALA HA H 53 4.373 4.810 -0.437 1
1 548 . 7 1 1 A 53 53 ALA CB C 53 19.207 22.517 -3.310 1
1 552 . 7 1 1 A 53 53 ALA C C 53 176.519 175.664 0.855 1
1 553 . 7 1 1 A 54 54 VAL N N 54 121.228 120.531 0.697 1
1 554 . 7 1 1 A 54 54 VAL H H 54 8.429 8.819 -0.390 1
1 555 . 7 1 1 A 54 54 VAL CA C 54 60.672 61.116 -0.444 1
1 556 . 7 1 1 A 54 54 VAL HA H 54 4.980 4.665 0.315 1
1 557 . 7 1 1 A 54 54 VAL CB C 54 33.933 34.659 -0.726 1
1 567 . 7 1 1 A 54 54 VAL C C 54 175.443 174.664 0.779 1
1 568 . 7 1 1 A 55 55 GLU N N 55 126.290 126.107 0.183 1
1 569 . 7 1 1 A 55 55 GLU H H 55 8.640 8.928 -0.288 1
1 570 . 7 1 1 A 55 55 GLU CA C 55 54.306 54.517 -0.211 1
1 571 . 7 1 1 A 55 55 GLU HA H 55 4.754 4.867 -0.113 1
1 572 . 7 1 1 A 55 55 GLU CB C 55 33.612 32.841 0.771 1
1 576 . 7 1 1 A 55 55 GLU C C 55 175.073 174.815 0.258 1
1 579 . 7 1 1 A 56 56 GLU N N 56 123.200 121.990 1.210 1
1 580 . 7 1 1 A 56 56 GLU H H 56 8.878 8.871 0.007 1
1 581 . 7 1 1 A 56 56 GLU CA C 56 56.966 54.798 2.168 1
1 582 . 7 1 1 A 56 56 GLU HA H 56 4.479 5.133 -0.654 1
1 583 . 7 1 1 A 56 56 GLU CB C 56 30.258 33.103 -2.845 1
1 587 . 7 1 1 A 56 56 GLU C C 56 177.592 175.081 2.511 1
1 590 . 7 1 1 A 57 57 CYS N N 57 121.919 125.687 -3.768 1
1 591 . 7 1 1 A 57 57 CYS H H 57 8.496 8.157 0.339 1
1 592 . 7 1 1 A 57 57 CYS CA C 57 59.030 57.646 1.384 1
1 593 . 7 1 1 A 57 57 CYS HA H 57 4.690 5.157 -0.467 1
1 594 . 7 1 1 A 57 57 CYS CB C 57 29.620 28.682 0.938 1
1 596 . 7 1 1 A 57 57 CYS C C 57 173.871 173.995 -0.124 1
1 598 . 7 1 1 A 58 58 HIS N N 58 123.415 125.233 -1.818 1
1 599 . 7 1 1 A 58 58 HIS H H 58 8.961 8.693 0.268 1
1 600 . 7 1 1 A 58 58 HIS CA C 58 56.751 55.707 1.044 1
1 601 . 7 1 1 A 58 58 HIS HA H 58 4.725 4.653 0.072 1
1 602 . 7 1 1 A 58 58 HIS CB C 58 31.813 29.492 2.321 1
1 608 . 7 1 1 A 58 58 HIS C C 58 174.903 173.918 0.985 1
1 610 . 7 1 1 A 59 59 VAL N N 59 128.900 128.504 0.396 1
1 611 . 7 1 1 A 59 59 VAL H H 59 8.521 8.866 -0.345 1
1 612 . 7 1 1 A 59 59 VAL CA C 59 61.131 60.311 0.820 1
1 613 . 7 1 1 A 59 59 VAL HA H 59 5.142 5.238 -0.096 1
1 614 . 7 1 1 A 59 59 VAL CB C 59 33.825 34.215 -0.390 1
1 624 . 7 1 1 A 59 59 VAL C C 59 175.539 174.799 0.740 1
1 625 . 7 1 1 A 60 60 SER N N 60 120.428 123.483 -3.055 1
1 626 . 7 1 1 A 60 60 SER H H 60 8.995 9.097 -0.102 1
1 627 . 7 1 1 A 60 60 SER CA C 60 56.782 56.597 0.185 1
1 628 . 7 1 1 A 60 60 SER HA H 60 4.823 5.522 -0.699 1
1 629 . 7 1 1 A 60 60 SER CB C 60 65.880 64.940 0.940 1
1 631 . 7 1 1 A 60 60 SER C C 60 172.353 173.023 -0.670 1
1 633 . 7 1 1 A 61 61 GLU N N 61 125.163 125.547 -0.384 1
1 634 . 7 1 1 A 61 61 GLU H H 61 8.894 8.740 0.154 1
1 635 . 7 1 1 A 61 61 GLU CA C 61 57.081 55.410 1.671 1
1 636 . 7 1 1 A 61 61 GLU HA H 61 3.545 3.963 -0.418 1
1 637 . 7 1 1 A 61 61 GLU CB C 61 30.675 29.083 1.592 1
1 641 . 7 1 1 A 61 61 GLU C C 61 176.353 175.163 1.190 1
1 644 . 7 1 1 A 62 62 LEU N N 62 129.563 128.757 0.806 1
1 645 . 7 1 1 A 62 62 LEU H H 62 8.800 8.773 0.027 1
1 646 . 7 1 1 A 62 62 LEU CA C 62 56.462 55.994 0.468 1
1 647 . 7 1 1 A 62 62 LEU HA H 62 4.341 4.333 0.008 1
1 648 . 7 1 1 A 62 62 LEU CB C 62 44.020 42.716 1.304 1
1 660 . 7 1 1 A 62 62 LEU C C 62 176.662 176.876 -0.214 1
1 662 . 7 1 1 A 63 63 GLU N N 63 117.143 118.058 -0.915 1
1 663 . 7 1 1 A 63 63 GLU H H 63 8.292 7.433 0.859 1
1 664 . 7 1 1 A 63 63 GLU CA C 63 53.777 52.995 0.782 1
1 665 . 7 1 1 A 63 63 GLU HA H 63 4.655 4.674 -0.019 1
1 666 . 7 1 1 A 63 63 GLU CB C 63 29.768 31.273 -1.505 1
1 670 . 7 1 1 A 63 63 GLU C C 63 172.058 176.240 -4.182 1
1 673 . 7 1 1 A 64 64 PRO CA C 64 65.767 64.308 1.459 1
1 674 . 7 1 1 A 64 64 PRO HA H 64 4.227 4.580 -0.353 1
1 675 . 7 1 1 A 64 64 PRO CB C 64 31.005 31.796 -0.791 1
1 681 . 7 1 1 A 64 64 PRO C C 64 177.068 177.014 0.054 1
1 685 . 7 1 1 A 65 65 ASP N N 65 118.425 116.019 2.406 1
1 686 . 7 1 1 A 65 65 ASP H H 65 8.965 8.589 0.376 1
1 687 . 7 1 1 A 65 65 ASP CA C 65 55.827 53.867 1.960 1
1 688 . 7 1 1 A 65 65 ASP HA H 65 4.589 4.846 -0.257 1
1 689 . 7 1 1 A 65 65 ASP CB C 65 43.713 41.943 1.770 1
1 691 . 7 1 1 A 65 65 ASP C C 65 174.921 175.455 -0.534 1
1 693 . 7 1 1 A 66 66 LYS N N 66 120.940 119.760 1.180 1
1 694 . 7 1 1 A 66 66 LYS H H 66 8.476 7.534 0.942 1
1 695 . 7 1 1 A 66 66 LYS CA C 66 55.938 55.699 0.239 1
1 696 . 7 1 1 A 66 66 LYS HA H 66 5.476 5.160 0.316 1
1 697 . 7 1 1 A 66 66 LYS CB C 66 36.812 35.947 0.865 1
1 705 . 7 1 1 A 66 66 LYS C C 66 173.912 174.181 -0.269 1
1 710 . 7 1 1 A 67 67 TYR N N 67 126.047 123.446 2.601 1
1 711 . 7 1 1 A 67 67 TYR H H 67 9.291 8.968 0.323 1
1 712 . 7 1 1 A 67 67 TYR CA C 67 56.589 56.546 0.043 1
1 713 . 7 1 1 A 67 67 TYR HA H 67 5.136 5.280 -0.144 1
1 714 . 7 1 1 A 67 67 TYR CB C 67 41.933 43.627 -1.694 1
1 724 . 7 1 1 A 67 67 TYR C C 67 174.424 174.262 0.162 1
1 726 . 7 1 1 A 68 68 ALA N N 68 123.234 123.063 0.171 1
1 727 . 7 1 1 A 68 68 ALA H H 68 9.393 8.568 0.825 1
1 728 . 7 1 1 A 68 68 ALA CA C 68 50.620 50.687 -0.067 1
1 729 . 7 1 1 A 68 68 ALA HA H 68 5.002 5.250 -0.248 1
1 730 . 7 1 1 A 68 68 ALA CB C 68 21.211 21.896 -0.685 1
1 734 . 7 1 1 A 68 68 ALA C C 68 176.258 175.938 0.320 1
1 735 . 7 1 1 A 69 69 VAL N N 69 121.910 123.593 -1.683 1
1 736 . 7 1 1 A 69 69 VAL H H 69 8.412 8.656 -0.244 1
1 737 . 7 1 1 A 69 69 VAL CA C 69 61.147 61.099 0.048 1
1 738 . 7 1 1 A 69 69 VAL HA H 69 4.587 4.793 -0.206 1
1 739 . 7 1 1 A 69 69 VAL CB C 69 32.409 33.224 -0.815 1
1 749 . 7 1 1 A 69 69 VAL C C 69 174.300 173.692 0.608 1
1 750 . 7 1 1 A 70 70 ARG N N 70 125.218 129.464 -4.246 1
1 751 . 7 1 1 A 70 70 ARG H H 70 8.926 9.450 -0.524 1
1 752 . 7 1 1 A 70 70 ARG CA C 70 54.404 54.786 -0.382 1
1 753 . 7 1 1 A 70 70 ARG HA H 70 5.665 4.859 0.806 1
1 754 . 7 1 1 A 70 70 ARG CB C 70 34.966 31.458 3.508 1
1 760 . 7 1 1 A 70 70 ARG C C 70 175.124 175.184 -0.060 1
1 764 . 7 1 1 A 71 71 PHE N N 71 120.657 120.552 0.105 1
1 765 . 7 1 1 A 71 71 PHE H H 71 8.780 8.539 0.241 1
1 766 . 7 1 1 A 71 71 PHE CA C 71 55.969 56.389 -0.420 1
1 767 . 7 1 1 A 71 71 PHE HA H 71 5.082 5.076 0.006 1
1 768 . 7 1 1 A 71 71 PHE CB C 71 41.335 41.615 -0.280 1
1 780 . 7 1 1 A 71 71 PHE C C 71 171.920 172.120 -0.200 1
1 782 . 7 1 1 A 72 72 ILE N N 72 120.347 122.426 -2.079 1
1 783 . 7 1 1 A 72 72 ILE H H 72 8.714 9.010 -0.296 1
1 784 . 7 1 1 A 72 72 ILE CA C 72 57.669 58.374 -0.705 1
1 785 . 7 1 1 A 72 72 ILE HA H 72 4.469 4.552 -0.083 1
1 786 . 7 1 1 A 72 72 ILE CB C 72 39.824 38.685 1.139 1
1 798 . 7 1 1 A 72 72 ILE C C 72 173.612 175.581 -1.969 1
1 800 . 7 1 1 A 73 73 PRO CA C 73 62.050 62.480 -0.430 1
1 801 . 7 1 1 A 73 73 PRO HA H 73 4.493 5.020 -0.527 1
1 802 . 7 1 1 A 73 73 PRO CB C 73 33.680 29.396 4.284 1
1 808 . 7 1 1 A 73 73 PRO C C 73 176.990 175.570 1.420 1
1 812 . 7 1 1 A 74 74 HIS N N 74 119.655 117.596 2.059 1
1 813 . 7 1 1 A 74 74 HIS H H 74 10.240 8.530 1.710 1
1 814 . 7 1 1 A 74 74 HIS CA C 74 54.660 53.761 0.899 1
1 815 . 7 1 1 A 74 74 HIS HA H 74 5.035 5.655 -0.620 1
1 816 . 7 1 1 A 74 74 HIS CB C 74 30.530 31.653 -1.123 1
1 822 . 7 1 1 A 74 74 HIS C C 74 173.624 174.082 -0.458 1
1 824 . 7 1 1 A 75 75 GLU N N 75 118.178 122.826 -4.648 1
1 825 . 7 1 1 A 75 75 GLU H H 75 7.772 8.595 -0.823 1
1 826 . 7 1 1 A 75 75 GLU CA C 75 54.166 54.305 -0.139 1
1 827 . 7 1 1 A 75 75 GLU HA H 75 4.654 4.812 -0.158 1
1 828 . 7 1 1 A 75 75 GLU CB C 75 33.422 33.645 -0.223 1
1 832 . 7 1 1 A 75 75 GLU C C 75 173.599 176.204 -2.605 1
1 835 . 7 1 1 A 76 76 ASN N N 76 116.760 117.140 -0.380 1
1 836 . 7 1 1 A 76 76 ASN H H 76 8.530 8.811 -0.281 1
1 837 . 7 1 1 A 76 76 ASN CA C 76 53.486 52.294 1.192 1
1 838 . 7 1 1 A 76 76 ASN HA H 76 4.606 4.970 -0.364 1
1 839 . 7 1 1 A 76 76 ASN CB C 76 40.184 39.073 1.111 1
1 844 . 7 1 1 A 76 76 ASN C C 76 175.598 174.873 0.725 1
1 846 . 7 1 1 A 77 77 GLY N N 77 106.497 107.275 -0.778 1
1 847 . 7 1 1 A 77 77 GLY H H 77 9.152 7.482 1.670 1
1 848 . 7 1 1 A 77 77 GLY CA C 77 43.752 45.841 -2.089 1
1 849 . 7 1 1 A 77 77 GLY HA3 H 77 4.797 3.986 0.811 1
1 850 . 7 1 1 A 77 77 GLY C C 77 176.329 172.023 4.306 1
1 851 . 7 1 1 A 77 77 GLY HA2 H 77 3.897 3.970 -0.073 1
1 852 . 7 1 1 A 78 78 VAL N N 78 124.582 121.832 2.750 1
1 853 . 7 1 1 A 78 78 VAL H H 78 9.334 8.473 0.861 1
1 854 . 7 1 1 A 78 78 VAL CA C 78 64.642 62.728 1.914 1
1 855 . 7 1 1 A 78 78 VAL HA H 78 4.399 4.305 0.094 1
1 856 . 7 1 1 A 78 78 VAL CB C 78 31.464 32.194 -0.730 1
1 866 . 7 1 1 A 78 78 VAL C C 78 176.269 175.446 0.823 1
1 867 . 7 1 1 A 79 79 HIS N N 79 129.160 126.355 2.805 1
1 868 . 7 1 1 A 79 79 HIS H H 79 9.854 9.569 0.285 1
1 869 . 7 1 1 A 79 79 HIS CA C 79 55.150 55.210 -0.060 1
1 870 . 7 1 1 A 79 79 HIS HA H 79 4.921 5.255 -0.334 1
1 871 . 7 1 1 A 79 79 HIS CB C 79 30.772 32.351 -1.579 1
1 877 . 7 1 1 A 79 79 HIS C C 79 174.062 174.888 -0.826 1
1 879 . 7 1 1 A 80 80 THR N N 80 116.006 115.077 0.929 1
1 880 . 7 1 1 A 80 80 THR H H 80 8.526 8.346 0.180 1
1 881 . 7 1 1 A 80 80 THR CA C 80 60.983 61.607 -0.624 1
1 882 . 7 1 1 A 80 80 THR HA H 80 5.380 5.027 0.353 1
1 883 . 7 1 1 A 80 80 THR CB C 80 70.590 70.971 -0.381 1
1 889 . 7 1 1 A 80 80 THR C C 80 173.671 173.632 0.039 1
1 890 . 7 1 1 A 81 81 ILE N N 81 127.414 128.899 -1.485 1
1 891 . 7 1 1 A 81 81 ILE H H 81 9.745 9.288 0.457 1
1 892 . 7 1 1 A 81 81 ILE CA C 81 60.037 60.942 -0.905 1
1 893 . 7 1 1 A 81 81 ILE HA H 81 4.867 4.439 0.428 1
1 894 . 7 1 1 A 81 81 ILE CB C 81 39.883 38.390 1.493 1
1 906 . 7 1 1 A 81 81 ILE C C 81 175.279 174.830 0.449 1
1 908 . 7 1 1 A 82 82 ASP N N 82 128.375 126.340 2.035 1
1 909 . 7 1 1 A 82 82 ASP H H 82 9.157 8.548 0.609 1
1 910 . 7 1 1 A 82 82 ASP CA C 82 53.084 52.921 0.163 1
1 911 . 7 1 1 A 82 82 ASP HA H 82 5.060 5.289 -0.229 1
1 912 . 7 1 1 A 82 82 ASP CB C 82 42.929 43.695 -0.766 1
1 914 . 7 1 1 A 82 82 ASP C C 82 175.923 174.456 1.467 1
1 916 . 7 1 1 A 83 83 VAL N N 83 125.651 125.640 0.011 1
1 917 . 7 1 1 A 83 83 VAL H H 83 9.897 8.768 1.129 1
1 918 . 7 1 1 A 83 83 VAL CA C 83 62.407 61.420 0.987 1
1 919 . 7 1 1 A 83 83 VAL HA H 83 4.553 4.848 -0.295 1
1 920 . 7 1 1 A 83 83 VAL CB C 83 33.233 32.840 0.393 1
1 930 . 7 1 1 A 83 83 VAL C C 83 173.327 174.844 -1.517 1
1 931 . 7 1 1 A 84 84 LYS N N 84 124.405 127.047 -2.642 1
1 932 . 7 1 1 A 84 84 LYS H H 84 8.874 8.680 0.194 1
1 933 . 7 1 1 A 84 84 LYS CA C 84 53.901 55.001 -1.100 1
1 934 . 7 1 1 A 84 84 LYS HA H 84 5.065 4.898 0.167 1
1 935 . 7 1 1 A 84 84 LYS CB C 84 36.851 34.849 2.002 1
1 943 . 7 1 1 A 84 84 LYS C C 84 174.760 175.412 -0.652 1
1 948 . 7 1 1 A 85 85 PHE N N 85 120.871 124.011 -3.140 1
1 949 . 7 1 1 A 85 85 PHE H H 85 9.167 9.162 0.005 1
1 950 . 7 1 1 A 85 85 PHE CA C 85 56.014 57.523 -1.509 1
1 951 . 7 1 1 A 85 85 PHE HA H 85 5.157 4.994 0.163 1
1 952 . 7 1 1 A 85 85 PHE CB C 85 42.916 41.387 1.529 1
1 964 . 7 1 1 A 85 85 PHE C C 85 175.473 174.883 0.590 1
1 966 . 7 1 1 A 86 86 ASN N N 86 126.732 125.135 1.597 1
1 967 . 7 1 1 A 86 86 ASN H H 86 8.714 8.722 -0.008 1
1 968 . 7 1 1 A 86 86 ASN CA C 86 53.835 53.910 -0.075 1
1 969 . 7 1 1 A 86 86 ASN HA H 86 4.216 4.246 -0.030 1
1 970 . 7 1 1 A 86 86 ASN CB C 86 36.789 37.152 -0.363 1
1 975 . 7 1 1 A 86 86 ASN C C 86 175.700 174.667 1.033 1
1 977 . 7 1 1 A 87 87 GLY N N 87 102.449 105.217 -2.768 1
1 978 . 7 1 1 A 87 87 GLY H H 87 8.986 8.661 0.325 1
1 979 . 7 1 1 A 87 87 GLY CA C 87 45.490 46.562 -1.072 1
1 980 . 7 1 1 A 87 87 GLY HA3 H 87 4.223 3.964 0.259 1
1 981 . 7 1 1 A 87 87 GLY C C 87 174.149 173.584 0.565 1
1 982 . 7 1 1 A 87 87 GLY HA2 H 87 3.555 3.943 -0.388 1
1 983 . 7 1 1 A 88 88 SER N N 88 116.260 113.648 2.612 1
1 984 . 7 1 1 A 88 88 SER H H 88 7.670 7.772 -0.102 1
1 985 . 7 1 1 A 88 88 SER CA C 88 57.194 57.703 -0.509 1
1 986 . 7 1 1 A 88 88 SER HA H 88 4.935 4.775 0.160 1
1 987 . 7 1 1 A 88 88 SER CB C 88 65.421 66.172 -0.751 1
1 989 . 7 1 1 A 88 88 SER C C 88 173.491 173.236 0.255 1
1 991 . 7 1 1 A 89 89 HIS N N 89 124.290 125.381 -1.091 1
1 992 . 7 1 1 A 89 89 HIS H H 89 8.847 8.962 -0.115 1
1 993 . 7 1 1 A 89 89 HIS CA C 89 59.048 56.696 2.352 1
1 994 . 7 1 1 A 89 89 HIS HA H 89 4.543 4.762 -0.219 1
1 995 . 7 1 1 A 89 89 HIS CB C 89 32.463 29.836 2.627 1
1 1001 . 7 1 1 A 89 89 HIS C C 89 177.441 175.412 2.029 1
1 1003 . 7 1 1 A 90 90 VAL N N 90 116.253 122.400 -6.147 1
1 1004 . 7 1 1 A 90 90 VAL H H 90 8.283 8.223 0.060 1
1 1005 . 7 1 1 A 90 90 VAL CA C 90 60.279 62.398 -2.119 1
1 1006 . 7 1 1 A 90 90 VAL HA H 90 4.291 4.057 0.234 1
1 1007 . 7 1 1 A 90 90 VAL CB C 90 31.601 33.246 -1.645 1
1 1017 . 7 1 1 A 90 90 VAL C C 90 176.074 175.709 0.365 1
1 1018 . 7 1 1 A 91 91 VAL N N 91 123.139 119.900 3.239 1
1 1019 . 7 1 1 A 91 91 VAL H H 91 8.910 8.400 0.510 1
1 1020 . 7 1 1 A 91 91 VAL CA C 91 66.030 62.985 3.045 1
1 1021 . 7 1 1 A 91 91 VAL HA H 91 3.632 3.955 -0.323 1
1 1022 . 7 1 1 A 91 91 VAL CB C 91 30.897 31.676 -0.779 1
1 1032 . 7 1 1 A 91 91 VAL C C 91 177.012 176.190 0.822 1
1 1033 . 7 1 1 A 92 92 GLY N N 92 116.727 113.797 2.930 1
1 1034 . 7 1 1 A 92 92 GLY H H 92 8.396 8.806 -0.410 1
1 1035 . 7 1 1 A 92 92 GLY CA C 92 44.466 46.089 -1.623 1
1 1036 . 7 1 1 A 92 92 GLY HA3 H 92 4.180 3.647 0.533 1
1 1037 . 7 1 1 A 92 92 GLY C C 92 172.077 172.788 -0.711 1
1 1038 . 7 1 1 A 92 92 GLY HA2 H 92 3.221 3.629 -0.408 1
1 1039 . 7 1 1 A 93 93 SER N N 93 112.885 114.539 -1.654 1
1 1040 . 7 1 1 A 93 93 SER H H 93 7.484 7.411 0.073 1
1 1041 . 7 1 1 A 93 93 SER CA C 93 54.547 54.567 -0.020 1
1 1042 . 7 1 1 A 93 93 SER HA H 93 4.065 4.327 -0.262 1
1 1043 . 7 1 1 A 93 93 SER CB C 93 62.575 65.590 -3.015 1
1 1045 . 7 1 1 A 93 93 SER C C 93 174.608 172.102 2.506 1
1 1047 . 7 1 1 A 94 94 PRO CA C 94 62.477 62.334 0.143 1
1 1048 . 7 1 1 A 94 94 PRO HA H 94 5.491 4.560 0.931 1
1 1049 . 7 1 1 A 94 94 PRO CB C 94 34.106 32.323 1.783 1
1 1055 . 7 1 1 A 94 94 PRO C C 94 176.779 175.526 1.253 1
1 1059 . 7 1 1 A 95 95 PHE N N 95 123.133 119.751 3.382 1
1 1060 . 7 1 1 A 95 95 PHE H H 95 9.200 8.289 0.911 1
1 1061 . 7 1 1 A 95 95 PHE CA C 95 57.291 57.356 -0.065 1
1 1062 . 7 1 1 A 95 95 PHE HA H 95 4.581 4.872 -0.291 1
1 1063 . 7 1 1 A 95 95 PHE CB C 95 41.165 40.661 0.504 1
1 1075 . 7 1 1 A 95 95 PHE C C 95 175.687 175.356 0.331 1
1 1077 . 7 1 1 A 96 96 LYS N N 96 122.134 120.498 1.636 1
1 1078 . 7 1 1 A 96 96 LYS H H 96 8.790 9.035 -0.245 1
1 1079 . 7 1 1 A 96 96 LYS CA C 96 55.249 55.089 0.160 1
1 1080 . 7 1 1 A 96 96 LYS HA H 96 5.276 5.214 0.062 1
1 1081 . 7 1 1 A 96 96 LYS CB C 96 33.836 34.678 -0.842 1
1 1089 . 7 1 1 A 96 96 LYS C C 96 176.515 175.784 0.731 1
1 1094 . 7 1 1 A 97 97 VAL N N 97 117.706 118.991 -1.285 1
1 1095 . 7 1 1 A 97 97 VAL H H 97 8.873 8.714 0.159 1
1 1096 . 7 1 1 A 97 97 VAL CA C 97 59.188 58.898 0.290 1
1 1097 . 7 1 1 A 97 97 VAL HA H 97 4.917 4.993 -0.076 1
1 1098 . 7 1 1 A 97 97 VAL CB C 97 35.185 36.322 -1.137 1
1 1108 . 7 1 1 A 97 97 VAL C C 97 173.801 173.391 0.410 1
1 1109 . 7 1 1 A 98 98 ARG N N 98 125.203 121.691 3.512 1
1 1110 . 7 1 1 A 98 98 ARG H H 98 8.826 8.723 0.103 1
1 1111 . 7 1 1 A 98 98 ARG CA C 98 56.337 54.432 1.905 1
1 1112 . 7 1 1 A 98 98 ARG HA H 98 4.610 5.388 -0.778 1
1 1113 . 7 1 1 A 98 98 ARG CB C 98 32.031 33.998 -1.967 1
1 1119 . 7 1 1 A 98 98 ARG C C 98 174.438 173.899 0.539 1
1 1123 . 7 1 1 A 99 99 VAL N N 99 127.382 125.848 1.534 1
1 1124 . 7 1 1 A 99 99 VAL H H 99 8.144 9.051 -0.907 1
1 1125 . 7 1 1 A 99 99 VAL CA C 99 61.216 60.709 0.507 1
1 1126 . 7 1 1 A 99 99 VAL HA H 99 4.115 4.784 -0.669 1
1 1127 . 7 1 1 A 99 99 VAL CB C 99 32.590 33.752 -1.162 1
1 1137 . 7 1 1 A 99 99 VAL C C 99 176.994 174.827 2.167 1
1 1138 . 7 1 1 A 100 100 GLY N N 100 117.424 113.831 3.593 1
1 1139 . 7 1 1 A 100 100 GLY H H 100 8.682 8.528 0.154 1
1 1140 . 7 1 1 A 100 100 GLY CA C 100 44.650 45.285 -0.635 1
1 1141 . 7 1 1 A 100 100 GLY HA3 H 100 4.386 4.181 0.205 1
1 1142 . 7 1 1 A 100 100 GLY C C 100 173.180 172.466 0.714 1
1 1143 . 7 1 1 A 100 100 GLY HA2 H 100 3.954 4.178 -0.224 1
1 1144 . 7 1 1 A 101 101 GLU N N 101 119.495 120.502 -1.007 1
1 1145 . 7 1 1 A 101 101 GLU H H 101 8.383 8.378 0.005 1
1 1146 . 7 1 1 A 101 101 GLU CA C 101 54.168 53.660 0.508 1
1 1147 . 7 1 1 A 101 101 GLU HA H 101 4.661 4.728 -0.067 1
1 1148 . 7 1 1 A 101 101 GLU CB C 101 29.836 29.943 -0.107 1
1 1152 . 7 1 1 A 101 101 GLU C C 101 175.458 176.216 -0.758 1
1 1155 . 7 1 1 A 102 102 PRO CA C 102 63.897 63.663 0.234 1
1 1156 . 7 1 1 A 102 102 PRO HA H 102 4.361 4.427 -0.066 1
1 1157 . 7 1 1 A 102 102 PRO CB C 102 31.946 32.211 -0.265 1
1 1163 . 7 1 1 A 102 102 PRO C C 102 177.509 176.976 0.533 1
1 1167 . 7 1 1 A 103 103 GLY N N 103 109.378 109.328 0.050 1
1 1168 . 7 1 1 A 103 103 GLY H H 103 8.552 7.813 0.739 1
1 1169 . 7 1 1 A 103 103 GLY CA C 103 45.263 43.720 1.543 1
1 1170 . 7 1 1 A 103 103 GLY HA3 H 103 3.962 4.055 -0.093 1
1 1171 . 7 1 1 A 103 103 GLY C C 103 174.277 173.162 1.115 1
1 1172 . 7 1 1 A 103 103 GLY HA2 H 103 3.962 4.055 -0.093 1
1 1173 . 7 1 1 A 104 104 GLN N N 104 119.735 120.098 -0.363 1
1 1174 . 7 1 1 A 104 104 GLN H H 104 8.096 8.390 -0.294 1
1 1175 . 7 1 1 A 104 104 GLN CA C 104 55.924 55.837 0.087 1
1 1176 . 7 1 1 A 104 104 GLN HA H 104 4.339 4.389 -0.050 1
1 1177 . 7 1 1 A 104 104 GLN CB C 104 29.622 28.952 0.670 1
1 1184 . 7 1 1 A 104 104 GLN C C 104 175.669 176.378 -0.709 1
1 1187 . 7 1 1 A 105 105 ALA N N 105 125.603 128.807 -3.204 1
1 1188 . 7 1 1 A 105 105 ALA H H 105 8.389 8.788 -0.399 1
1 1189 . 7 1 1 A 105 105 ALA CA C 105 52.416 53.285 -0.869 1
1 1190 . 7 1 1 A 105 105 ALA HA H 105 4.385 4.238 0.147 1
1 1191 . 7 1 1 A 105 105 ALA CB C 105 19.608 20.171 -0.563 1
1 1195 . 7 1 1 A 105 105 ALA C C 105 176.971 177.185 -0.214 1
1 1 . 8 1 1 A 8 8 SER CA C 8 59.066 58.814 0.252 1
1 2 . 8 1 1 A 8 8 SER HA H 8 4.444 4.357 0.087 1
1 3 . 8 1 1 A 8 8 SER CB C 8 63.749 63.375 0.374 1
1 5 . 8 1 1 A 8 8 SER C C 8 174.832 174.012 0.820 1
1 7 . 8 1 1 A 9 9 ASP N N 9 122.244 124.951 -2.707 1
1 8 . 8 1 1 A 9 9 ASP H H 9 8.460 8.628 -0.168 1
1 9 . 8 1 1 A 9 9 ASP CA C 9 54.943 54.530 0.413 1
1 10 . 8 1 1 A 9 9 ASP HA H 9 4.730 4.578 0.152 1
1 11 . 8 1 1 A 9 9 ASP CB C 9 41.125 41.152 -0.027 1
1 13 . 8 1 1 A 9 9 ASP C C 9 176.845 175.813 1.032 1
1 15 . 8 1 1 A 10 10 ASP N N 10 120.929 120.900 0.029 1
1 16 . 8 1 1 A 10 10 ASP H H 10 8.121 9.003 -0.882 1
1 17 . 8 1 1 A 10 10 ASP CA C 10 55.841 53.078 2.763 1
1 18 . 8 1 1 A 10 10 ASP HA H 10 4.523 4.910 -0.387 1
1 19 . 8 1 1 A 10 10 ASP CB C 10 41.834 39.505 2.329 1
1 21 . 8 1 1 A 10 10 ASP C C 10 177.047 176.275 0.772 1
1 23 . 8 1 1 A 11 11 ALA N N 11 122.815 122.689 0.126 1
1 24 . 8 1 1 A 11 11 ALA H H 11 8.520 8.207 0.313 1
1 25 . 8 1 1 A 11 11 ALA CA C 11 54.828 54.778 0.050 1
1 26 . 8 1 1 A 11 11 ALA HA H 11 4.004 3.870 0.134 1
1 27 . 8 1 1 A 11 11 ALA CB C 11 19.454 18.523 0.931 1
1 31 . 8 1 1 A 11 11 ALA C C 11 179.280 179.452 -0.172 1
1 32 . 8 1 1 A 12 12 ARG N N 12 115.782 115.852 -0.070 1
1 33 . 8 1 1 A 12 12 ARG H H 12 8.159 8.428 -0.269 1
1 34 . 8 1 1 A 12 12 ARG CA C 12 57.578 57.723 -0.145 1
1 35 . 8 1 1 A 12 12 ARG HA H 12 4.310 4.131 0.179 1
1 36 . 8 1 1 A 12 12 ARG CB C 12 29.817 29.421 0.396 1
1 42 . 8 1 1 A 12 12 ARG C C 12 176.412 176.674 -0.262 1
1 46 . 8 1 1 A 13 13 ARG N N 13 117.438 118.297 -0.859 1
1 47 . 8 1 1 A 13 13 ARG H H 13 7.858 7.562 0.296 1
1 48 . 8 1 1 A 13 13 ARG CA C 13 56.855 55.308 1.547 1
1 49 . 8 1 1 A 13 13 ARG HA H 13 4.183 4.389 -0.206 1
1 50 . 8 1 1 A 13 13 ARG CB C 13 30.976 29.470 1.506 1
1 56 . 8 1 1 A 13 13 ARG C C 13 176.451 174.276 2.175 1
1 60 . 8 1 1 A 14 14 LEU N N 14 121.077 121.319 -0.242 1
1 61 . 8 1 1 A 14 14 LEU H H 14 6.925 7.556 -0.631 1
1 62 . 8 1 1 A 14 14 LEU CA C 14 56.582 53.605 2.977 1
1 63 . 8 1 1 A 14 14 LEU HA H 14 4.394 5.014 -0.620 1
1 64 . 8 1 1 A 14 14 LEU CB C 14 42.968 46.193 -3.225 1
1 76 . 8 1 1 A 14 14 LEU C C 14 177.296 175.168 2.128 1
1 78 . 8 1 1 A 15 15 THR N N 15 115.028 121.881 -6.853 1
1 79 . 8 1 1 A 15 15 THR H H 15 8.716 8.785 -0.069 1
1 80 . 8 1 1 A 15 15 THR CA C 15 61.169 61.976 -0.807 1
1 81 . 8 1 1 A 15 15 THR HA H 15 4.667 4.934 -0.267 1
1 82 . 8 1 1 A 15 15 THR CB C 15 71.348 70.240 1.108 1
1 88 . 8 1 1 A 15 15 THR C C 15 173.454 173.691 -0.237 1
1 89 . 8 1 1 A 16 16 VAL N N 16 126.736 128.188 -1.452 1
1 90 . 8 1 1 A 16 16 VAL H H 16 8.727 8.909 -0.182 1
1 91 . 8 1 1 A 16 16 VAL CA C 16 62.600 62.184 0.416 1
1 92 . 8 1 1 A 16 16 VAL HA H 16 4.539 4.479 0.060 1
1 93 . 8 1 1 A 16 16 VAL CB C 16 32.521 31.538 0.983 1
1 103 . 8 1 1 A 16 16 VAL C C 16 175.348 175.356 -0.008 1
1 104 . 8 1 1 A 17 17 MET N N 17 126.444 125.963 0.481 1
1 105 . 8 1 1 A 17 17 MET H H 17 9.255 8.703 0.552 1
1 106 . 8 1 1 A 17 17 MET CA C 17 54.872 54.359 0.513 1
1 107 . 8 1 1 A 17 17 MET HA H 17 4.806 4.809 -0.003 1
1 108 . 8 1 1 A 17 17 MET CB C 17 35.443 34.541 0.902 1
1 116 . 8 1 1 A 17 17 MET C C 17 174.681 176.429 -1.748 1
1 119 . 8 1 1 A 18 18 SER N N 18 112.443 117.100 -4.657 1
1 120 . 8 1 1 A 18 18 SER H H 18 8.568 8.986 -0.418 1
1 121 . 8 1 1 A 18 18 SER CA C 18 58.711 59.032 -0.321 1
1 122 . 8 1 1 A 18 18 SER HA H 18 4.018 4.096 -0.078 1
1 123 . 8 1 1 A 18 18 SER CB C 18 62.009 61.608 0.401 1
1 125 . 8 1 1 A 18 18 SER C C 18 173.373 173.941 -0.568 1
1 127 . 8 1 1 A 19 19 LEU N N 19 122.011 121.566 0.445 1
1 128 . 8 1 1 A 19 19 LEU H H 19 7.996 7.672 0.324 1
1 129 . 8 1 1 A 19 19 LEU CA C 19 54.978 53.592 1.386 1
1 130 . 8 1 1 A 19 19 LEU HA H 19 4.283 4.958 -0.675 1
1 131 . 8 1 1 A 19 19 LEU CB C 19 41.955 44.807 -2.852 1
1 143 . 8 1 1 A 19 19 LEU C C 19 176.135 175.686 0.449 1
1 145 . 8 1 1 A 20 20 GLN N N 20 127.739 126.278 1.461 1
1 146 . 8 1 1 A 20 20 GLN H H 20 8.669 8.668 0.001 1
1 147 . 8 1 1 A 20 20 GLN CA C 20 55.617 56.098 -0.481 1
1 148 . 8 1 1 A 20 20 GLN HA H 20 4.400 4.394 0.006 1
1 149 . 8 1 1 A 20 20 GLN CB C 20 29.298 30.076 -0.778 1
1 156 . 8 1 1 A 20 20 GLN C C 20 175.033 175.306 -0.273 1
1 159 . 8 1 1 A 21 21 GLU N N 21 121.152 123.000 -1.848 1
1 160 . 8 1 1 A 21 21 GLU H H 21 8.546 9.211 -0.665 1
1 161 . 8 1 1 A 21 21 GLU CA C 21 57.598 57.735 -0.137 1
1 162 . 8 1 1 A 21 21 GLU HA H 21 4.310 4.554 -0.244 1
1 163 . 8 1 1 A 21 21 GLU CB C 21 30.764 31.384 -0.620 1
1 167 . 8 1 1 A 21 21 GLU C C 21 176.581 177.646 -1.065 1
1 170 . 8 1 1 A 22 22 SER N N 22 113.328 109.508 3.820 1
1 171 . 8 1 1 A 22 22 SER H H 22 8.018 8.010 0.008 1
1 172 . 8 1 1 A 22 22 SER CA C 22 57.682 56.714 0.968 1
1 173 . 8 1 1 A 22 22 SER HA H 22 4.997 5.064 -0.067 1
1 174 . 8 1 1 A 22 22 SER CB C 22 64.489 63.486 1.003 1
1 176 . 8 1 1 A 22 22 SER C C 22 174.062 174.803 -0.741 1
1 178 . 8 1 1 A 23 23 GLY N N 23 109.317 109.797 -0.480 1
1 179 . 8 1 1 A 23 23 GLY H H 23 8.828 7.847 0.981 1
1 180 . 8 1 1 A 23 23 GLY CA C 23 45.609 45.631 -0.022 1
1 181 . 8 1 1 A 23 23 GLY HA3 H 23 4.116 4.070 0.046 1
1 182 . 8 1 1 A 23 23 GLY C C 23 174.629 173.926 0.703 1
1 183 . 8 1 1 A 23 23 GLY HA2 H 23 3.832 4.068 -0.236 1
1 184 . 8 1 1 A 24 24 LEU N N 24 120.545 121.054 -0.509 1
1 185 . 8 1 1 A 24 24 LEU H H 24 7.559 7.378 0.181 1
1 186 . 8 1 1 A 24 24 LEU CA C 24 55.569 54.760 0.809 1
1 187 . 8 1 1 A 24 24 LEU HA H 24 4.310 4.463 -0.153 1
1 188 . 8 1 1 A 24 24 LEU CB C 24 42.978 41.946 1.032 1
1 200 . 8 1 1 A 24 24 LEU C C 24 176.704 175.990 0.714 1
1 202 . 8 1 1 A 25 25 LYS N N 25 122.188 119.749 2.439 1
1 203 . 8 1 1 A 25 25 LYS H H 25 8.828 8.578 0.250 1
1 204 . 8 1 1 A 25 25 LYS CA C 25 54.686 54.693 -0.007 1
1 205 . 8 1 1 A 25 25 LYS HA H 25 4.676 5.023 -0.347 1
1 206 . 8 1 1 A 25 25 LYS CB C 25 35.736 34.906 0.830 1
1 214 . 8 1 1 A 25 25 LYS C C 25 175.885 176.443 -0.558 1
1 219 . 8 1 1 A 26 26 VAL N N 26 121.689 124.722 -3.033 1
1 220 . 8 1 1 A 26 26 VAL H H 26 8.503 8.590 -0.087 1
1 221 . 8 1 1 A 26 26 VAL CA C 26 64.069 62.431 1.638 1
1 222 . 8 1 1 A 26 26 VAL HA H 26 3.218 4.068 -0.850 1
1 223 . 8 1 1 A 26 26 VAL CB C 26 31.636 32.177 -0.541 1
1 233 . 8 1 1 A 26 26 VAL C C 26 175.837 175.760 0.077 1
1 234 . 8 1 1 A 27 27 ASN N N 27 116.772 118.624 -1.852 1
1 235 . 8 1 1 A 27 27 ASN H H 27 8.682 9.083 -0.401 1
1 236 . 8 1 1 A 27 27 ASN CA C 27 55.183 54.446 0.737 1
1 237 . 8 1 1 A 27 27 ASN HA H 27 4.138 4.318 -0.180 1
1 238 . 8 1 1 A 27 27 ASN CB C 27 37.242 37.371 -0.129 1
1 243 . 8 1 1 A 27 27 ASN C C 27 173.308 173.983 -0.675 1
1 245 . 8 1 1 A 28 28 GLN N N 28 118.793 116.972 1.821 1
1 246 . 8 1 1 A 28 28 GLN H H 28 7.544 7.678 -0.134 1
1 247 . 8 1 1 A 28 28 GLN CA C 28 52.212 52.403 -0.191 1
1 248 . 8 1 1 A 28 28 GLN HA H 28 4.893 4.719 0.174 1
1 249 . 8 1 1 A 28 28 GLN CB C 28 30.060 30.553 -0.493 1
1 256 . 8 1 1 A 28 28 GLN C C 28 173.078 173.456 -0.378 1
1 259 . 8 1 1 A 29 29 PRO CA C 29 63.563 62.812 0.751 1
1 260 . 8 1 1 A 29 29 PRO HA H 29 4.294 4.587 -0.293 1
1 261 . 8 1 1 A 29 29 PRO CB C 29 31.874 31.646 0.228 1
1 267 . 8 1 1 A 29 29 PRO C C 29 175.250 175.690 -0.440 1
1 271 . 8 1 1 A 30 30 ALA N N 30 128.803 127.435 1.368 1
1 272 . 8 1 1 A 30 30 ALA H H 30 8.887 8.165 0.722 1
1 273 . 8 1 1 A 30 30 ALA CA C 30 50.558 50.612 -0.054 1
1 274 . 8 1 1 A 30 30 ALA HA H 30 4.539 4.876 -0.337 1
1 275 . 8 1 1 A 30 30 ALA CB C 30 21.602 20.902 0.700 1
1 279 . 8 1 1 A 30 30 ALA C C 30 175.510 175.591 -0.081 1
1 280 . 8 1 1 A 31 31 SER N N 31 112.512 117.787 -5.275 1
1 281 . 8 1 1 A 31 31 SER H H 31 8.214 8.954 -0.740 1
1 282 . 8 1 1 A 31 31 SER CA C 31 56.701 55.917 0.784 1
1 283 . 8 1 1 A 31 31 SER HA H 31 5.832 5.508 0.324 1
1 284 . 8 1 1 A 31 31 SER CB C 31 66.721 66.386 0.335 1
1 286 . 8 1 1 A 31 31 SER C C 31 173.379 172.686 0.693 1
1 288 . 8 1 1 A 32 32 PHE N N 32 119.232 119.062 0.170 1
1 289 . 8 1 1 A 32 32 PHE H H 32 8.798 8.179 0.619 1
1 290 . 8 1 1 A 32 32 PHE CA C 32 56.218 55.733 0.485 1
1 291 . 8 1 1 A 32 32 PHE HA H 32 4.925 5.435 -0.510 1
1 292 . 8 1 1 A 32 32 PHE CB C 32 39.752 42.022 -2.270 1
1 304 . 8 1 1 A 32 32 PHE C C 32 172.709 172.312 0.397 1
1 306 . 8 1 1 A 33 33 ALA N N 33 122.788 122.286 0.502 1
1 307 . 8 1 1 A 33 33 ALA H H 33 8.827 8.685 0.142 1
1 308 . 8 1 1 A 33 33 ALA CA C 33 50.616 50.540 0.076 1
1 309 . 8 1 1 A 33 33 ALA HA H 33 5.654 5.262 0.392 1
1 310 . 8 1 1 A 33 33 ALA CB C 33 22.616 21.359 1.257 1
1 314 . 8 1 1 A 33 33 ALA C C 33 175.770 176.833 -1.063 1
1 315 . 8 1 1 A 34 34 ILE N N 34 118.542 121.927 -3.385 1
1 316 . 8 1 1 A 34 34 ILE H H 34 9.194 8.783 0.411 1
1 317 . 8 1 1 A 34 34 ILE CA C 34 59.486 60.696 -1.210 1
1 318 . 8 1 1 A 34 34 ILE HA H 34 4.978 4.696 0.282 1
1 319 . 8 1 1 A 34 34 ILE CB C 34 42.577 39.326 3.251 1
1 331 . 8 1 1 A 34 34 ILE C C 34 174.924 175.275 -0.351 1
1 333 . 8 1 1 A 35 35 ARG N N 35 126.774 129.149 -2.375 1
1 334 . 8 1 1 A 35 35 ARG H H 35 9.038 8.932 0.106 1
1 335 . 8 1 1 A 35 35 ARG CA C 35 54.096 56.658 -2.562 1
1 336 . 8 1 1 A 35 35 ARG HA H 35 5.283 4.508 0.775 1
1 337 . 8 1 1 A 35 35 ARG CB C 35 32.039 31.099 0.940 1
1 343 . 8 1 1 A 35 35 ARG C C 35 175.959 175.116 0.843 1
1 347 . 8 1 1 A 36 36 LEU N N 36 123.887 126.848 -2.961 1
1 348 . 8 1 1 A 36 36 LEU H H 36 8.648 8.426 0.222 1
1 349 . 8 1 1 A 36 36 LEU CA C 36 56.318 53.273 3.045 1
1 350 . 8 1 1 A 36 36 LEU HA H 36 4.037 4.891 -0.854 1
1 351 . 8 1 1 A 36 36 LEU CB C 36 41.028 43.818 -2.790 1
1 363 . 8 1 1 A 36 36 LEU C C 36 177.292 176.406 0.886 1
1 365 . 8 1 1 A 37 37 ASN N N 37 115.087 122.720 -7.633 1
1 366 . 8 1 1 A 37 37 ASN H H 37 8.594 8.668 -0.074 1
1 367 . 8 1 1 A 37 37 ASN CA C 37 54.182 53.028 1.154 1
1 368 . 8 1 1 A 37 37 ASN HA H 37 4.407 4.857 -0.450 1
1 369 . 8 1 1 A 37 37 ASN CB C 37 37.687 38.676 -0.989 1
1 374 . 8 1 1 A 37 37 ASN C C 37 176.277 175.530 0.747 1
1 376 . 8 1 1 A 38 38 GLY N N 38 106.329 107.709 -1.380 1
1 377 . 8 1 1 A 38 38 GLY H H 38 9.506 7.879 1.627 1
1 378 . 8 1 1 A 38 38 GLY CA C 38 45.290 45.468 -0.178 1
1 379 . 8 1 1 A 38 38 GLY HA3 H 38 4.156 4.014 0.142 1
1 380 . 8 1 1 A 38 38 GLY C C 38 174.483 174.252 0.231 1
1 381 . 8 1 1 A 38 38 GLY HA2 H 38 3.617 3.998 -0.381 1
1 382 . 8 1 1 A 39 39 ALA N N 39 124.015 123.171 0.844 1
1 383 . 8 1 1 A 39 39 ALA H H 39 7.483 7.827 -0.344 1
1 384 . 8 1 1 A 39 39 ALA CA C 39 52.396 51.010 1.386 1
1 385 . 8 1 1 A 39 39 ALA HA H 39 4.280 4.341 -0.061 1
1 386 . 8 1 1 A 39 39 ALA CB C 39 20.424 19.836 0.588 1
1 390 . 8 1 1 A 39 39 ALA C C 39 176.275 177.259 -0.984 1
1 391 . 8 1 1 A 40 40 LYS N N 40 119.513 120.713 -1.200 1
1 392 . 8 1 1 A 40 40 LYS H H 40 8.685 8.909 -0.224 1
1 393 . 8 1 1 A 40 40 LYS CA C 40 54.696 54.828 -0.132 1
1 394 . 8 1 1 A 40 40 LYS HA H 40 4.811 5.304 -0.493 1
1 395 . 8 1 1 A 40 40 LYS CB C 40 34.324 35.635 -1.311 1
1 403 . 8 1 1 A 40 40 LYS C C 40 176.004 175.522 0.482 1
1 408 . 8 1 1 A 41 41 GLY N N 41 111.941 107.693 4.248 1
1 409 . 8 1 1 A 41 41 GLY H H 41 8.398 8.371 0.027 1
1 410 . 8 1 1 A 41 41 GLY CA C 41 45.887 45.915 -0.028 1
1 411 . 8 1 1 A 41 41 GLY HA3 H 41 3.722 4.192 -0.470 1
1 412 . 8 1 1 A 41 41 GLY C C 41 171.021 171.062 -0.041 1
1 413 . 8 1 1 A 41 41 GLY HA2 H 41 3.722 4.082 -0.360 1
1 414 . 8 1 1 A 42 42 LYS N N 42 119.600 123.890 -4.290 1
1 415 . 8 1 1 A 42 42 LYS H H 42 7.293 7.845 -0.552 1
1 416 . 8 1 1 A 42 42 LYS CA C 42 54.522 54.875 -0.353 1
1 417 . 8 1 1 A 42 42 LYS HA H 42 4.467 4.812 -0.345 1
1 418 . 8 1 1 A 42 42 LYS CB C 42 34.979 35.901 -0.922 1
1 426 . 8 1 1 A 42 42 LYS C C 42 175.675 173.921 1.754 1
1 431 . 8 1 1 A 43 43 ILE N N 43 127.421 127.582 -0.161 1
1 432 . 8 1 1 A 43 43 ILE H H 43 8.706 8.868 -0.162 1
1 433 . 8 1 1 A 43 43 ILE CA C 43 60.336 60.279 0.057 1
1 434 . 8 1 1 A 43 43 ILE HA H 43 4.695 4.473 0.222 1
1 435 . 8 1 1 A 43 43 ILE CB C 43 39.322 38.133 1.189 1
1 447 . 8 1 1 A 43 43 ILE C C 43 174.542 174.284 0.258 1
1 449 . 8 1 1 A 44 44 ASP N N 44 127.995 127.513 0.482 1
1 450 . 8 1 1 A 44 44 ASP H H 44 8.861 9.009 -0.148 1
1 451 . 8 1 1 A 44 44 ASP CA C 44 53.245 53.313 -0.068 1
1 452 . 8 1 1 A 44 44 ASP HA H 44 4.817 5.204 -0.387 1
1 453 . 8 1 1 A 44 44 ASP CB C 44 44.577 42.858 1.719 1
1 455 . 8 1 1 A 44 44 ASP C C 44 173.768 175.165 -1.397 1
1 457 . 8 1 1 A 45 45 ALA N N 45 127.601 125.215 2.386 1
1 458 . 8 1 1 A 45 45 ALA H H 45 8.819 8.913 -0.094 1
1 459 . 8 1 1 A 45 45 ALA CA C 45 50.180 50.783 -0.603 1
1 460 . 8 1 1 A 45 45 ALA HA H 45 5.859 5.268 0.591 1
1 461 . 8 1 1 A 45 45 ALA CB C 45 21.379 21.836 -0.457 1
1 465 . 8 1 1 A 45 45 ALA C C 45 175.393 175.935 -0.542 1
1 466 . 8 1 1 A 46 46 LYS N N 46 122.427 122.460 -0.033 1
1 467 . 8 1 1 A 46 46 LYS H H 46 8.723 8.644 0.079 1
1 468 . 8 1 1 A 46 46 LYS CA C 46 55.090 54.804 0.286 1
1 469 . 8 1 1 A 46 46 LYS HA H 46 5.057 5.060 -0.003 1
1 470 . 8 1 1 A 46 46 LYS CB C 46 37.534 36.551 0.983 1
1 478 . 8 1 1 A 46 46 LYS C C 46 173.473 174.541 -1.068 1
1 483 . 8 1 1 A 47 47 VAL N N 47 120.177 122.989 -2.812 1
1 484 . 8 1 1 A 47 47 VAL H H 47 8.989 8.731 0.258 1
1 485 . 8 1 1 A 47 47 VAL CA C 47 59.152 60.346 -1.194 1
1 486 . 8 1 1 A 47 47 VAL HA H 47 4.875 4.696 0.179 1
1 487 . 8 1 1 A 47 47 VAL CB C 47 34.502 33.980 0.522 1
1 497 . 8 1 1 A 47 47 VAL C C 47 173.786 174.894 -1.108 1
1 498 . 8 1 1 A 48 48 HIS N N 48 127.949 128.128 -0.179 1
1 499 . 8 1 1 A 48 48 HIS H H 48 9.661 8.894 0.767 1
1 500 . 8 1 1 A 48 48 HIS CA C 48 53.917 56.152 -2.235 1
1 501 . 8 1 1 A 48 48 HIS HA H 48 5.238 5.047 0.191 1
1 502 . 8 1 1 A 48 48 HIS CB C 48 30.549 32.103 -1.554 1
1 508 . 8 1 1 A 48 48 HIS C C 48 175.556 174.910 0.646 1
1 510 . 8 1 1 A 49 49 SER N N 49 121.639 115.530 6.109 1
1 511 . 8 1 1 A 49 49 SER H H 49 9.114 8.584 0.530 1
1 512 . 8 1 1 A 49 49 SER CA C 49 56.693 55.454 1.239 1
1 513 . 8 1 1 A 49 49 SER HA H 49 4.391 4.848 -0.457 1
1 514 . 8 1 1 A 49 49 SER CB C 49 63.160 65.412 -2.252 1
1 516 . 8 1 1 A 49 49 SER C C 49 174.390 174.636 -0.246 1
1 518 . 8 1 1 A 50 50 PRO CA C 50 65.732 64.290 1.442 1
1 519 . 8 1 1 A 50 50 PRO HA H 50 4.247 4.475 -0.228 1
1 520 . 8 1 1 A 50 50 PRO CB C 50 31.516 31.713 -0.197 1
1 526 . 8 1 1 A 50 50 PRO C C 50 177.969 177.704 0.265 1
1 530 . 8 1 1 A 51 51 SER N N 51 110.808 112.609 -1.801 1
1 531 . 8 1 1 A 51 51 SER H H 51 8.539 7.820 0.719 1
1 532 . 8 1 1 A 51 51 SER CA C 51 59.311 58.525 0.786 1
1 533 . 8 1 1 A 51 51 SER HA H 51 4.331 4.533 -0.202 1
1 534 . 8 1 1 A 51 51 SER CB C 51 62.767 64.062 -1.295 1
1 536 . 8 1 1 A 51 51 SER C C 51 175.339 174.725 0.614 1
1 538 . 8 1 1 A 52 52 GLY N N 52 110.692 108.923 1.769 1
1 539 . 8 1 1 A 52 52 GLY H H 52 8.181 7.874 0.307 1
1 540 . 8 1 1 A 52 52 GLY CA C 52 44.862 45.332 -0.470 1
1 541 . 8 1 1 A 52 52 GLY HA3 H 52 4.444 4.053 0.391 1
1 542 . 8 1 1 A 52 52 GLY C C 52 174.389 173.950 0.439 1
1 543 . 8 1 1 A 52 52 GLY HA2 H 52 3.634 4.039 -0.405 1
1 544 . 8 1 1 A 53 53 ALA N N 53 124.417 122.867 1.550 1
1 545 . 8 1 1 A 53 53 ALA H H 53 7.419 7.761 -0.342 1
1 546 . 8 1 1 A 53 53 ALA CA C 53 52.538 50.500 2.038 1
1 547 . 8 1 1 A 53 53 ALA HA H 53 4.373 4.624 -0.251 1
1 548 . 8 1 1 A 53 53 ALA CB C 53 19.207 21.543 -2.336 1
1 552 . 8 1 1 A 53 53 ALA C C 53 176.519 175.940 0.579 1
1 553 . 8 1 1 A 54 54 VAL N N 54 121.228 122.738 -1.510 1
1 554 . 8 1 1 A 54 54 VAL H H 54 8.429 8.657 -0.228 1
1 555 . 8 1 1 A 54 54 VAL CA C 54 60.672 61.391 -0.719 1
1 556 . 8 1 1 A 54 54 VAL HA H 54 4.980 4.430 0.550 1
1 557 . 8 1 1 A 54 54 VAL CB C 54 33.933 32.557 1.376 1
1 567 . 8 1 1 A 54 54 VAL C C 54 175.443 175.277 0.166 1
1 568 . 8 1 1 A 55 55 GLU N N 55 126.290 127.034 -0.744 1
1 569 . 8 1 1 A 55 55 GLU H H 55 8.640 8.951 -0.311 1
1 570 . 8 1 1 A 55 55 GLU CA C 55 54.306 54.628 -0.322 1
1 571 . 8 1 1 A 55 55 GLU HA H 55 4.754 4.863 -0.109 1
1 572 . 8 1 1 A 55 55 GLU CB C 55 33.612 31.990 1.622 1
1 576 . 8 1 1 A 55 55 GLU C C 55 175.073 174.950 0.123 1
1 579 . 8 1 1 A 56 56 GLU N N 56 123.200 122.950 0.250 1
1 580 . 8 1 1 A 56 56 GLU H H 56 8.878 8.785 0.093 1
1 581 . 8 1 1 A 56 56 GLU CA C 56 56.966 55.152 1.814 1
1 582 . 8 1 1 A 56 56 GLU HA H 56 4.479 5.053 -0.574 1
1 583 . 8 1 1 A 56 56 GLU CB C 56 30.258 32.853 -2.595 1
1 587 . 8 1 1 A 56 56 GLU C C 56 177.592 175.242 2.350 1
1 590 . 8 1 1 A 57 57 CYS N N 57 121.919 126.100 -4.181 1
1 591 . 8 1 1 A 57 57 CYS H H 57 8.496 8.303 0.193 1
1 592 . 8 1 1 A 57 57 CYS CA C 57 59.030 58.312 0.718 1
1 593 . 8 1 1 A 57 57 CYS HA H 57 4.690 5.061 -0.371 1
1 594 . 8 1 1 A 57 57 CYS CB C 57 29.620 28.387 1.233 1
1 596 . 8 1 1 A 57 57 CYS C C 57 173.871 174.415 -0.544 1
1 598 . 8 1 1 A 58 58 HIS N N 58 123.415 124.017 -0.602 1
1 599 . 8 1 1 A 58 58 HIS H H 58 8.961 8.661 0.300 1
1 600 . 8 1 1 A 58 58 HIS CA C 58 56.751 57.340 -0.589 1
1 601 . 8 1 1 A 58 58 HIS HA H 58 4.725 4.537 0.188 1
1 602 . 8 1 1 A 58 58 HIS CB C 58 31.813 30.098 1.715 1
1 608 . 8 1 1 A 58 58 HIS C C 58 174.903 174.219 0.684 1
1 610 . 8 1 1 A 59 59 VAL N N 59 128.900 128.482 0.418 1
1 611 . 8 1 1 A 59 59 VAL H H 59 8.521 8.776 -0.255 1
1 612 . 8 1 1 A 59 59 VAL CA C 59 61.131 61.108 0.023 1
1 613 . 8 1 1 A 59 59 VAL HA H 59 5.142 4.579 0.563 1
1 614 . 8 1 1 A 59 59 VAL CB C 59 33.825 33.553 0.272 1
1 624 . 8 1 1 A 59 59 VAL C C 59 175.539 174.221 1.318 1
1 625 . 8 1 1 A 60 60 SER N N 60 120.428 122.379 -1.951 1
1 626 . 8 1 1 A 60 60 SER H H 60 8.995 8.618 0.377 1
1 627 . 8 1 1 A 60 60 SER CA C 60 56.782 56.236 0.546 1
1 628 . 8 1 1 A 60 60 SER HA H 60 4.823 5.187 -0.364 1
1 629 . 8 1 1 A 60 60 SER CB C 60 65.880 64.649 1.231 1
1 631 . 8 1 1 A 60 60 SER C C 60 172.353 172.357 -0.004 1
1 633 . 8 1 1 A 61 61 GLU N N 61 125.163 127.469 -2.306 1
1 634 . 8 1 1 A 61 61 GLU H H 61 8.894 8.721 0.173 1
1 635 . 8 1 1 A 61 61 GLU CA C 61 57.081 55.072 2.009 1
1 636 . 8 1 1 A 61 61 GLU HA H 61 3.545 3.995 -0.450 1
1 637 . 8 1 1 A 61 61 GLU CB C 61 30.675 29.243 1.432 1
1 641 . 8 1 1 A 61 61 GLU C C 61 176.353 175.280 1.073 1
1 644 . 8 1 1 A 62 62 LEU N N 62 129.563 128.961 0.602 1
1 645 . 8 1 1 A 62 62 LEU H H 62 8.800 8.623 0.177 1
1 646 . 8 1 1 A 62 62 LEU CA C 62 56.462 56.015 0.447 1
1 647 . 8 1 1 A 62 62 LEU HA H 62 4.341 4.286 0.055 1
1 648 . 8 1 1 A 62 62 LEU CB C 62 44.020 42.614 1.406 1
1 660 . 8 1 1 A 62 62 LEU C C 62 176.662 176.910 -0.248 1
1 662 . 8 1 1 A 63 63 GLU N N 63 117.143 118.069 -0.926 1
1 663 . 8 1 1 A 63 63 GLU H H 63 8.292 7.376 0.916 1
1 664 . 8 1 1 A 63 63 GLU CA C 63 53.777 52.988 0.789 1
1 665 . 8 1 1 A 63 63 GLU HA H 63 4.655 4.658 -0.003 1
1 666 . 8 1 1 A 63 63 GLU CB C 63 29.768 31.315 -1.547 1
1 670 . 8 1 1 A 63 63 GLU C C 63 172.058 176.194 -4.136 1
1 673 . 8 1 1 A 64 64 PRO CA C 64 65.767 64.331 1.436 1
1 674 . 8 1 1 A 64 64 PRO HA H 64 4.227 4.539 -0.312 1
1 675 . 8 1 1 A 64 64 PRO CB C 64 31.005 31.828 -0.823 1
1 681 . 8 1 1 A 64 64 PRO C C 64 177.068 177.061 0.007 1
1 685 . 8 1 1 A 65 65 ASP N N 65 118.425 115.934 2.491 1
1 686 . 8 1 1 A 65 65 ASP H H 65 8.965 8.595 0.370 1
1 687 . 8 1 1 A 65 65 ASP CA C 65 55.827 53.847 1.980 1
1 688 . 8 1 1 A 65 65 ASP HA H 65 4.589 4.811 -0.222 1
1 689 . 8 1 1 A 65 65 ASP CB C 65 43.713 41.656 2.057 1
1 691 . 8 1 1 A 65 65 ASP C C 65 174.921 175.437 -0.516 1
1 693 . 8 1 1 A 66 66 LYS N N 66 120.940 119.737 1.203 1
1 694 . 8 1 1 A 66 66 LYS H H 66 8.476 7.505 0.971 1
1 695 . 8 1 1 A 66 66 LYS CA C 66 55.938 55.636 0.302 1
1 696 . 8 1 1 A 66 66 LYS HA H 66 5.476 5.166 0.310 1
1 697 . 8 1 1 A 66 66 LYS CB C 66 36.812 36.123 0.689 1
1 705 . 8 1 1 A 66 66 LYS C C 66 173.912 174.233 -0.321 1
1 710 . 8 1 1 A 67 67 TYR N N 67 126.047 123.525 2.522 1
1 711 . 8 1 1 A 67 67 TYR H H 67 9.291 9.086 0.205 1
1 712 . 8 1 1 A 67 67 TYR CA C 67 56.589 56.343 0.246 1
1 713 . 8 1 1 A 67 67 TYR HA H 67 5.136 5.273 -0.137 1
1 714 . 8 1 1 A 67 67 TYR CB C 67 41.933 43.822 -1.889 1
1 724 . 8 1 1 A 67 67 TYR C C 67 174.424 174.286 0.138 1
1 726 . 8 1 1 A 68 68 ALA N N 68 123.234 122.982 0.252 1
1 727 . 8 1 1 A 68 68 ALA H H 68 9.393 8.455 0.938 1
1 728 . 8 1 1 A 68 68 ALA CA C 68 50.620 50.826 -0.206 1
1 729 . 8 1 1 A 68 68 ALA HA H 68 5.002 5.168 -0.166 1
1 730 . 8 1 1 A 68 68 ALA CB C 68 21.211 22.151 -0.940 1
1 734 . 8 1 1 A 68 68 ALA C C 68 176.258 176.005 0.253 1
1 735 . 8 1 1 A 69 69 VAL N N 69 121.910 123.474 -1.564 1
1 736 . 8 1 1 A 69 69 VAL H H 69 8.412 8.620 -0.208 1
1 737 . 8 1 1 A 69 69 VAL CA C 69 61.147 61.172 -0.025 1
1 738 . 8 1 1 A 69 69 VAL HA H 69 4.587 4.775 -0.188 1
1 739 . 8 1 1 A 69 69 VAL CB C 69 32.409 33.411 -1.002 1
1 749 . 8 1 1 A 69 69 VAL C C 69 174.300 173.843 0.457 1
1 750 . 8 1 1 A 70 70 ARG N N 70 125.218 129.494 -4.276 1
1 751 . 8 1 1 A 70 70 ARG H H 70 8.926 9.208 -0.282 1
1 752 . 8 1 1 A 70 70 ARG CA C 70 54.404 54.865 -0.461 1
1 753 . 8 1 1 A 70 70 ARG HA H 70 5.665 4.921 0.744 1
1 754 . 8 1 1 A 70 70 ARG CB C 70 34.966 31.794 3.172 1
1 760 . 8 1 1 A 70 70 ARG C C 70 175.124 175.297 -0.173 1
1 764 . 8 1 1 A 71 71 PHE N N 71 120.657 120.372 0.285 1
1 765 . 8 1 1 A 71 71 PHE H H 71 8.780 8.552 0.228 1
1 766 . 8 1 1 A 71 71 PHE CA C 71 55.969 56.293 -0.324 1
1 767 . 8 1 1 A 71 71 PHE HA H 71 5.082 5.093 -0.011 1
1 768 . 8 1 1 A 71 71 PHE CB C 71 41.335 41.450 -0.115 1
1 780 . 8 1 1 A 71 71 PHE C C 71 171.920 172.053 -0.133 1
1 782 . 8 1 1 A 72 72 ILE N N 72 120.347 121.995 -1.648 1
1 783 . 8 1 1 A 72 72 ILE H H 72 8.714 8.986 -0.272 1
1 784 . 8 1 1 A 72 72 ILE CA C 72 57.669 58.096 -0.427 1
1 785 . 8 1 1 A 72 72 ILE HA H 72 4.469 4.567 -0.098 1
1 786 . 8 1 1 A 72 72 ILE CB C 72 39.824 38.660 1.164 1
1 798 . 8 1 1 A 72 72 ILE C C 72 173.612 175.319 -1.707 1
1 800 . 8 1 1 A 73 73 PRO CA C 73 62.050 62.357 -0.307 1
1 801 . 8 1 1 A 73 73 PRO HA H 73 4.493 4.922 -0.429 1
1 802 . 8 1 1 A 73 73 PRO CB C 73 33.680 29.148 4.532 1
1 808 . 8 1 1 A 73 73 PRO C C 73 176.990 175.485 1.505 1
1 812 . 8 1 1 A 74 74 HIS N N 74 119.655 117.627 2.028 1
1 813 . 8 1 1 A 74 74 HIS H H 74 10.240 8.535 1.705 1
1 814 . 8 1 1 A 74 74 HIS CA C 74 54.660 53.792 0.868 1
1 815 . 8 1 1 A 74 74 HIS HA H 74 5.035 5.679 -0.644 1
1 816 . 8 1 1 A 74 74 HIS CB C 74 30.530 31.654 -1.124 1
1 822 . 8 1 1 A 74 74 HIS C C 74 173.624 174.174 -0.550 1
1 824 . 8 1 1 A 75 75 GLU N N 75 118.178 123.103 -4.925 1
1 825 . 8 1 1 A 75 75 GLU H H 75 7.772 8.812 -1.040 1
1 826 . 8 1 1 A 75 75 GLU CA C 75 54.166 54.265 -0.099 1
1 827 . 8 1 1 A 75 75 GLU HA H 75 4.654 4.790 -0.136 1
1 828 . 8 1 1 A 75 75 GLU CB C 75 33.422 33.524 -0.102 1
1 832 . 8 1 1 A 75 75 GLU C C 75 173.599 175.360 -1.761 1
1 835 . 8 1 1 A 76 76 ASN N N 76 116.760 116.974 -0.214 1
1 836 . 8 1 1 A 76 76 ASN H H 76 8.530 8.436 0.094 1
1 837 . 8 1 1 A 76 76 ASN CA C 76 53.486 51.717 1.769 1
1 838 . 8 1 1 A 76 76 ASN HA H 76 4.606 5.124 -0.518 1
1 839 . 8 1 1 A 76 76 ASN CB C 76 40.184 39.074 1.110 1
1 844 . 8 1 1 A 76 76 ASN C C 76 175.598 175.049 0.549 1
1 846 . 8 1 1 A 77 77 GLY N N 77 106.497 108.335 -1.838 1
1 847 . 8 1 1 A 77 77 GLY H H 77 9.152 7.505 1.647 1
1 848 . 8 1 1 A 77 77 GLY CA C 77 43.752 46.151 -2.399 1
1 849 . 8 1 1 A 77 77 GLY HA3 H 77 4.797 4.106 0.691 1
1 850 . 8 1 1 A 77 77 GLY C C 77 176.329 171.757 4.572 1
1 851 . 8 1 1 A 77 77 GLY HA2 H 77 3.897 4.076 -0.179 1
1 852 . 8 1 1 A 78 78 VAL N N 78 124.582 122.434 2.148 1
1 853 . 8 1 1 A 78 78 VAL H H 78 9.334 8.317 1.017 1
1 854 . 8 1 1 A 78 78 VAL CA C 78 64.642 61.303 3.339 1
1 855 . 8 1 1 A 78 78 VAL HA H 78 4.399 4.856 -0.457 1
1 856 . 8 1 1 A 78 78 VAL CB C 78 31.464 33.687 -2.223 1
1 866 . 8 1 1 A 78 78 VAL C C 78 176.269 175.349 0.920 1
1 867 . 8 1 1 A 79 79 HIS N N 79 129.160 126.256 2.904 1
1 868 . 8 1 1 A 79 79 HIS H H 79 9.854 9.448 0.406 1
1 869 . 8 1 1 A 79 79 HIS CA C 79 55.150 55.662 -0.512 1
1 870 . 8 1 1 A 79 79 HIS HA H 79 4.921 5.203 -0.282 1
1 871 . 8 1 1 A 79 79 HIS CB C 79 30.772 32.173 -1.401 1
1 877 . 8 1 1 A 79 79 HIS C C 79 174.062 175.112 -1.050 1
1 879 . 8 1 1 A 80 80 THR N N 80 116.006 115.771 0.235 1
1 880 . 8 1 1 A 80 80 THR H H 80 8.526 8.772 -0.246 1
1 881 . 8 1 1 A 80 80 THR CA C 80 60.983 61.641 -0.658 1
1 882 . 8 1 1 A 80 80 THR HA H 80 5.380 5.374 0.006 1
1 883 . 8 1 1 A 80 80 THR CB C 80 70.590 71.510 -0.920 1
1 889 . 8 1 1 A 80 80 THR C C 80 173.671 173.517 0.154 1
1 890 . 8 1 1 A 81 81 ILE N N 81 127.414 128.395 -0.981 1
1 891 . 8 1 1 A 81 81 ILE H H 81 9.745 9.024 0.721 1
1 892 . 8 1 1 A 81 81 ILE CA C 81 60.037 61.523 -1.486 1
1 893 . 8 1 1 A 81 81 ILE HA H 81 4.867 4.270 0.597 1
1 894 . 8 1 1 A 81 81 ILE CB C 81 39.883 38.005 1.878 1
1 906 . 8 1 1 A 81 81 ILE C C 81 175.279 175.063 0.216 1
1 908 . 8 1 1 A 82 82 ASP N N 82 128.375 127.121 1.254 1
1 909 . 8 1 1 A 82 82 ASP H H 82 9.157 8.455 0.702 1
1 910 . 8 1 1 A 82 82 ASP CA C 82 53.084 53.164 -0.080 1
1 911 . 8 1 1 A 82 82 ASP HA H 82 5.060 5.274 -0.214 1
1 912 . 8 1 1 A 82 82 ASP CB C 82 42.929 42.813 0.116 1
1 914 . 8 1 1 A 82 82 ASP C C 82 175.923 174.582 1.341 1
1 916 . 8 1 1 A 83 83 VAL N N 83 125.651 125.773 -0.122 1
1 917 . 8 1 1 A 83 83 VAL H H 83 9.897 9.013 0.884 1
1 918 . 8 1 1 A 83 83 VAL CA C 83 62.407 61.565 0.842 1
1 919 . 8 1 1 A 83 83 VAL HA H 83 4.553 4.702 -0.149 1
1 920 . 8 1 1 A 83 83 VAL CB C 83 33.233 32.599 0.634 1
1 930 . 8 1 1 A 83 83 VAL C C 83 173.327 174.943 -1.616 1
1 931 . 8 1 1 A 84 84 LYS N N 84 124.405 127.275 -2.870 1
1 932 . 8 1 1 A 84 84 LYS H H 84 8.874 8.836 0.038 1
1 933 . 8 1 1 A 84 84 LYS CA C 84 53.901 54.536 -0.635 1
1 934 . 8 1 1 A 84 84 LYS HA H 84 5.065 4.927 0.138 1
1 935 . 8 1 1 A 84 84 LYS CB C 84 36.851 35.621 1.230 1
1 943 . 8 1 1 A 84 84 LYS C C 84 174.760 174.882 -0.122 1
1 948 . 8 1 1 A 85 85 PHE N N 85 120.871 123.898 -3.027 1
1 949 . 8 1 1 A 85 85 PHE H H 85 9.167 9.242 -0.075 1
1 950 . 8 1 1 A 85 85 PHE CA C 85 56.014 57.524 -1.510 1
1 951 . 8 1 1 A 85 85 PHE HA H 85 5.157 5.056 0.101 1
1 952 . 8 1 1 A 85 85 PHE CB C 85 42.916 42.062 0.854 1
1 964 . 8 1 1 A 85 85 PHE C C 85 175.473 174.788 0.685 1
1 966 . 8 1 1 A 86 86 ASN N N 86 126.732 124.766 1.966 1
1 967 . 8 1 1 A 86 86 ASN H H 86 8.714 8.693 0.021 1
1 968 . 8 1 1 A 86 86 ASN CA C 86 53.835 54.332 -0.497 1
1 969 . 8 1 1 A 86 86 ASN HA H 86 4.216 4.334 -0.118 1
1 970 . 8 1 1 A 86 86 ASN CB C 86 36.789 37.265 -0.476 1
1 975 . 8 1 1 A 86 86 ASN C C 86 175.700 175.827 -0.127 1
1 977 . 8 1 1 A 87 87 GLY N N 87 102.449 104.687 -2.238 1
1 978 . 8 1 1 A 87 87 GLY H H 87 8.986 8.626 0.360 1
1 979 . 8 1 1 A 87 87 GLY CA C 87 45.490 46.574 -1.084 1
1 980 . 8 1 1 A 87 87 GLY HA3 H 87 4.223 3.925 0.298 1
1 981 . 8 1 1 A 87 87 GLY C C 87 174.149 173.516 0.633 1
1 982 . 8 1 1 A 87 87 GLY HA2 H 87 3.555 3.911 -0.356 1
1 983 . 8 1 1 A 88 88 SER N N 88 116.260 113.336 2.924 1
1 984 . 8 1 1 A 88 88 SER H H 88 7.670 7.700 -0.030 1
1 985 . 8 1 1 A 88 88 SER CA C 88 57.194 57.589 -0.395 1
1 986 . 8 1 1 A 88 88 SER HA H 88 4.935 4.747 0.188 1
1 987 . 8 1 1 A 88 88 SER CB C 88 65.421 66.182 -0.761 1
1 989 . 8 1 1 A 88 88 SER C C 88 173.491 173.169 0.322 1
1 991 . 8 1 1 A 89 89 HIS N N 89 124.290 124.419 -0.129 1
1 992 . 8 1 1 A 89 89 HIS H H 89 8.847 9.003 -0.156 1
1 993 . 8 1 1 A 89 89 HIS CA C 89 59.048 56.077 2.971 1
1 994 . 8 1 1 A 89 89 HIS HA H 89 4.543 4.879 -0.336 1
1 995 . 8 1 1 A 89 89 HIS CB C 89 32.463 29.492 2.971 1
1 1001 . 8 1 1 A 89 89 HIS C C 89 177.441 175.063 2.378 1
1 1003 . 8 1 1 A 90 90 VAL N N 90 116.253 122.653 -6.400 1
1 1004 . 8 1 1 A 90 90 VAL H H 90 8.283 8.088 0.195 1
1 1005 . 8 1 1 A 90 90 VAL CA C 90 60.279 62.004 -1.725 1
1 1006 . 8 1 1 A 90 90 VAL HA H 90 4.291 3.952 0.339 1
1 1007 . 8 1 1 A 90 90 VAL CB C 90 31.601 32.666 -1.065 1
1 1017 . 8 1 1 A 90 90 VAL C C 90 176.074 175.633 0.441 1
1 1018 . 8 1 1 A 91 91 VAL N N 91 123.139 119.969 3.170 1
1 1019 . 8 1 1 A 91 91 VAL H H 91 8.910 8.485 0.425 1
1 1020 . 8 1 1 A 91 91 VAL CA C 91 66.030 63.131 2.899 1
1 1021 . 8 1 1 A 91 91 VAL HA H 91 3.632 3.774 -0.142 1
1 1022 . 8 1 1 A 91 91 VAL CB C 91 30.897 31.544 -0.647 1
1 1032 . 8 1 1 A 91 91 VAL C C 91 177.012 176.152 0.860 1
1 1033 . 8 1 1 A 92 92 GLY N N 92 116.727 114.890 1.837 1
1 1034 . 8 1 1 A 92 92 GLY H H 92 8.396 8.679 -0.283 1
1 1035 . 8 1 1 A 92 92 GLY CA C 92 44.466 44.867 -0.401 1
1 1036 . 8 1 1 A 92 92 GLY HA3 H 92 4.180 3.979 0.201 1
1 1037 . 8 1 1 A 92 92 GLY C C 92 172.077 172.886 -0.809 1
1 1038 . 8 1 1 A 92 92 GLY HA2 H 92 3.221 3.841 -0.620 1
1 1039 . 8 1 1 A 93 93 SER N N 93 112.885 117.128 -4.243 1
1 1040 . 8 1 1 A 93 93 SER H H 93 7.484 7.697 -0.213 1
1 1041 . 8 1 1 A 93 93 SER CA C 93 54.547 54.831 -0.284 1
1 1042 . 8 1 1 A 93 93 SER HA H 93 4.065 3.765 0.300 1
1 1043 . 8 1 1 A 93 93 SER CB C 93 62.575 63.680 -1.105 1
1 1045 . 8 1 1 A 93 93 SER C C 93 174.608 172.894 1.714 1
1 1047 . 8 1 1 A 94 94 PRO CA C 94 62.477 62.167 0.310 1
1 1048 . 8 1 1 A 94 94 PRO HA H 94 5.491 4.537 0.954 1
1 1049 . 8 1 1 A 94 94 PRO CB C 94 34.106 32.285 1.821 1
1 1055 . 8 1 1 A 94 94 PRO C C 94 176.779 175.123 1.656 1
1 1059 . 8 1 1 A 95 95 PHE N N 95 123.133 119.174 3.959 1
1 1060 . 8 1 1 A 95 95 PHE H H 95 9.200 8.248 0.952 1
1 1061 . 8 1 1 A 95 95 PHE CA C 95 57.291 56.878 0.413 1
1 1062 . 8 1 1 A 95 95 PHE HA H 95 4.581 5.136 -0.555 1
1 1063 . 8 1 1 A 95 95 PHE CB C 95 41.165 42.338 -1.173 1
1 1075 . 8 1 1 A 95 95 PHE C C 95 175.687 175.119 0.568 1
1 1077 . 8 1 1 A 96 96 LYS N N 96 122.134 119.609 2.525 1
1 1078 . 8 1 1 A 96 96 LYS H H 96 8.790 8.587 0.203 1
1 1079 . 8 1 1 A 96 96 LYS CA C 96 55.249 54.667 0.582 1
1 1080 . 8 1 1 A 96 96 LYS HA H 96 5.276 5.228 0.048 1
1 1081 . 8 1 1 A 96 96 LYS CB C 96 33.836 35.564 -1.728 1
1 1089 . 8 1 1 A 96 96 LYS C C 96 176.515 175.334 1.181 1
1 1094 . 8 1 1 A 97 97 VAL N N 97 117.706 117.641 0.065 1
1 1095 . 8 1 1 A 97 97 VAL H H 97 8.873 8.548 0.325 1
1 1096 . 8 1 1 A 97 97 VAL CA C 97 59.188 59.267 -0.079 1
1 1097 . 8 1 1 A 97 97 VAL HA H 97 4.917 4.821 0.096 1
1 1098 . 8 1 1 A 97 97 VAL CB C 97 35.185 36.034 -0.849 1
1 1108 . 8 1 1 A 97 97 VAL C C 97 173.801 173.310 0.491 1
1 1109 . 8 1 1 A 98 98 ARG N N 98 125.203 123.407 1.796 1
1 1110 . 8 1 1 A 98 98 ARG H H 98 8.826 8.584 0.242 1
1 1111 . 8 1 1 A 98 98 ARG CA C 98 56.337 54.525 1.812 1
1 1112 . 8 1 1 A 98 98 ARG HA H 98 4.610 5.204 -0.594 1
1 1113 . 8 1 1 A 98 98 ARG CB C 98 32.031 33.516 -1.485 1
1 1119 . 8 1 1 A 98 98 ARG C C 98 174.438 175.599 -1.161 1
1 1123 . 8 1 1 A 99 99 VAL N N 99 127.382 126.557 0.825 1
1 1124 . 8 1 1 A 99 99 VAL H H 99 8.144 8.853 -0.709 1
1 1125 . 8 1 1 A 99 99 VAL CA C 99 61.216 62.846 -1.630 1
1 1126 . 8 1 1 A 99 99 VAL HA H 99 4.115 4.339 -0.224 1
1 1127 . 8 1 1 A 99 99 VAL CB C 99 32.590 32.255 0.335 1
1 1137 . 8 1 1 A 99 99 VAL C C 99 176.994 175.328 1.666 1
1 1138 . 8 1 1 A 100 100 GLY N N 100 117.424 114.434 2.990 1
1 1139 . 8 1 1 A 100 100 GLY H H 100 8.682 8.537 0.145 1
1 1140 . 8 1 1 A 100 100 GLY CA C 100 44.650 44.600 0.050 1
1 1141 . 8 1 1 A 100 100 GLY HA3 H 100 4.386 4.213 0.173 1
1 1142 . 8 1 1 A 100 100 GLY C C 100 173.180 172.902 0.278 1
1 1143 . 8 1 1 A 100 100 GLY HA2 H 100 3.954 4.205 -0.251 1
1 1144 . 8 1 1 A 101 101 GLU N N 101 119.495 120.126 -0.631 1
1 1145 . 8 1 1 A 101 101 GLU H H 101 8.383 8.604 -0.221 1
1 1146 . 8 1 1 A 101 101 GLU CA C 101 54.168 54.135 0.033 1
1 1147 . 8 1 1 A 101 101 GLU HA H 101 4.661 4.920 -0.259 1
1 1148 . 8 1 1 A 101 101 GLU CB C 101 29.836 30.935 -1.099 1
1 1152 . 8 1 1 A 101 101 GLU C C 101 175.458 174.640 0.818 1
1 1155 . 8 1 1 A 102 102 PRO CA C 102 63.897 62.736 1.161 1
1 1156 . 8 1 1 A 102 102 PRO HA H 102 4.361 4.554 -0.193 1
1 1157 . 8 1 1 A 102 102 PRO CB C 102 31.946 32.030 -0.084 1
1 1163 . 8 1 1 A 102 102 PRO C C 102 177.509 176.905 0.604 1
1 1167 . 8 1 1 A 103 103 GLY N N 103 109.378 107.967 1.411 1
1 1168 . 8 1 1 A 103 103 GLY H H 103 8.552 8.565 -0.013 1
1 1169 . 8 1 1 A 103 103 GLY CA C 103 45.263 45.550 -0.287 1
1 1170 . 8 1 1 A 103 103 GLY HA3 H 103 3.962 3.934 0.028 1
1 1171 . 8 1 1 A 103 103 GLY C C 103 174.277 173.155 1.122 1
1 1172 . 8 1 1 A 103 103 GLY HA2 H 103 3.962 3.934 0.028 1
1 1173 . 8 1 1 A 104 104 GLN N N 104 119.735 122.904 -3.169 1
1 1174 . 8 1 1 A 104 104 GLN H H 104 8.096 8.537 -0.441 1
1 1175 . 8 1 1 A 104 104 GLN CA C 104 55.924 55.969 -0.045 1
1 1176 . 8 1 1 A 104 104 GLN HA H 104 4.339 4.450 -0.111 1
1 1177 . 8 1 1 A 104 104 GLN CB C 104 29.622 29.400 0.222 1
1 1184 . 8 1 1 A 104 104 GLN C C 104 175.669 175.699 -0.030 1
1 1187 . 8 1 1 A 105 105 ALA N N 105 125.603 126.581 -0.978 1
1 1188 . 8 1 1 A 105 105 ALA H H 105 8.389 8.528 -0.139 1
1 1189 . 8 1 1 A 105 105 ALA CA C 105 52.416 51.426 0.990 1
1 1190 . 8 1 1 A 105 105 ALA HA H 105 4.385 4.720 -0.335 1
1 1191 . 8 1 1 A 105 105 ALA CB C 105 19.608 19.608 0.000 1
1 1195 . 8 1 1 A 105 105 ALA C C 105 176.971 177.445 -0.474 1
1 1 . 9 1 1 A 8 8 SER CA C 8 59.066 57.206 1.860 1
1 2 . 9 1 1 A 8 8 SER HA H 8 4.444 4.865 -0.421 1
1 3 . 9 1 1 A 8 8 SER CB C 8 63.749 65.877 -2.128 1
1 5 . 9 1 1 A 8 8 SER C C 8 174.832 172.870 1.962 1
1 7 . 9 1 1 A 9 9 ASP N N 9 122.244 125.366 -3.122 1
1 8 . 9 1 1 A 9 9 ASP H H 9 8.460 8.808 -0.348 1
1 9 . 9 1 1 A 9 9 ASP CA C 9 54.943 54.967 -0.024 1
1 10 . 9 1 1 A 9 9 ASP HA H 9 4.730 4.612 0.118 1
1 11 . 9 1 1 A 9 9 ASP CB C 9 41.125 41.678 -0.553 1
1 13 . 9 1 1 A 9 9 ASP C C 9 176.845 176.184 0.661 1
1 15 . 9 1 1 A 10 10 ASP N N 10 120.929 121.851 -0.922 1
1 16 . 9 1 1 A 10 10 ASP H H 10 8.121 9.171 -1.050 1
1 17 . 9 1 1 A 10 10 ASP CA C 10 55.841 53.630 2.211 1
1 18 . 9 1 1 A 10 10 ASP HA H 10 4.523 4.984 -0.461 1
1 19 . 9 1 1 A 10 10 ASP CB C 10 41.834 41.206 0.628 1
1 21 . 9 1 1 A 10 10 ASP C C 10 177.047 176.287 0.760 1
1 23 . 9 1 1 A 11 11 ALA N N 11 122.815 122.294 0.521 1
1 24 . 9 1 1 A 11 11 ALA H H 11 8.520 8.130 0.390 1
1 25 . 9 1 1 A 11 11 ALA CA C 11 54.828 55.249 -0.421 1
1 26 . 9 1 1 A 11 11 ALA HA H 11 4.004 3.877 0.127 1
1 27 . 9 1 1 A 11 11 ALA CB C 11 19.454 18.454 1.000 1
1 31 . 9 1 1 A 11 11 ALA C C 11 179.280 179.726 -0.446 1
1 32 . 9 1 1 A 12 12 ARG N N 12 115.782 117.500 -1.718 1
1 33 . 9 1 1 A 12 12 ARG H H 12 8.159 8.002 0.157 1
1 34 . 9 1 1 A 12 12 ARG CA C 12 57.578 59.847 -2.269 1
1 35 . 9 1 1 A 12 12 ARG HA H 12 4.310 4.027 0.283 1
1 36 . 9 1 1 A 12 12 ARG CB C 12 29.817 30.100 -0.283 1
1 42 . 9 1 1 A 12 12 ARG C C 12 176.412 178.833 -2.421 1
1 46 . 9 1 1 A 13 13 ARG N N 13 117.438 120.216 -2.778 1
1 47 . 9 1 1 A 13 13 ARG H H 13 7.858 7.928 -0.070 1
1 48 . 9 1 1 A 13 13 ARG CA C 13 56.855 59.056 -2.201 1
1 49 . 9 1 1 A 13 13 ARG HA H 13 4.183 3.962 0.221 1
1 50 . 9 1 1 A 13 13 ARG CB C 13 30.976 29.970 1.006 1
1 56 . 9 1 1 A 13 13 ARG C C 13 176.451 177.353 -0.902 1
1 60 . 9 1 1 A 14 14 LEU N N 14 121.077 120.917 0.160 1
1 61 . 9 1 1 A 14 14 LEU H H 14 6.925 7.525 -0.600 1
1 62 . 9 1 1 A 14 14 LEU CA C 14 56.582 55.755 0.827 1
1 63 . 9 1 1 A 14 14 LEU HA H 14 4.394 4.034 0.360 1
1 64 . 9 1 1 A 14 14 LEU CB C 14 42.968 42.082 0.886 1
1 76 . 9 1 1 A 14 14 LEU C C 14 177.296 176.337 0.959 1
1 78 . 9 1 1 A 15 15 THR N N 15 115.028 117.376 -2.348 1
1 79 . 9 1 1 A 15 15 THR H H 15 8.716 8.792 -0.076 1
1 80 . 9 1 1 A 15 15 THR CA C 15 61.169 61.780 -0.611 1
1 81 . 9 1 1 A 15 15 THR HA H 15 4.667 4.823 -0.156 1
1 82 . 9 1 1 A 15 15 THR CB C 15 71.348 71.250 0.098 1
1 88 . 9 1 1 A 15 15 THR C C 15 173.454 172.865 0.589 1
1 89 . 9 1 1 A 16 16 VAL N N 16 126.736 128.011 -1.275 1
1 90 . 9 1 1 A 16 16 VAL H H 16 8.727 8.923 -0.196 1
1 91 . 9 1 1 A 16 16 VAL CA C 16 62.600 62.015 0.585 1
1 92 . 9 1 1 A 16 16 VAL HA H 16 4.539 4.321 0.218 1
1 93 . 9 1 1 A 16 16 VAL CB C 16 32.521 31.557 0.964 1
1 103 . 9 1 1 A 16 16 VAL C C 16 175.348 175.196 0.152 1
1 104 . 9 1 1 A 17 17 MET N N 17 126.444 125.399 1.045 1
1 105 . 9 1 1 A 17 17 MET H H 17 9.255 8.857 0.398 1
1 106 . 9 1 1 A 17 17 MET CA C 17 54.872 54.241 0.631 1
1 107 . 9 1 1 A 17 17 MET HA H 17 4.806 4.804 0.002 1
1 108 . 9 1 1 A 17 17 MET CB C 17 35.443 35.259 0.184 1
1 116 . 9 1 1 A 17 17 MET C C 17 174.681 175.469 -0.788 1
1 119 . 9 1 1 A 18 18 SER N N 18 112.443 112.570 -0.127 1
1 120 . 9 1 1 A 18 18 SER H H 18 8.568 8.462 0.106 1
1 121 . 9 1 1 A 18 18 SER CA C 18 58.711 58.543 0.168 1
1 122 . 9 1 1 A 18 18 SER HA H 18 4.018 3.999 0.019 1
1 123 . 9 1 1 A 18 18 SER CB C 18 62.009 61.797 0.212 1
1 125 . 9 1 1 A 18 18 SER C C 18 173.373 172.976 0.397 1
1 127 . 9 1 1 A 19 19 LEU N N 19 122.011 121.336 0.675 1
1 128 . 9 1 1 A 19 19 LEU H H 19 7.996 7.745 0.251 1
1 129 . 9 1 1 A 19 19 LEU CA C 19 54.978 54.226 0.752 1
1 130 . 9 1 1 A 19 19 LEU HA H 19 4.283 4.814 -0.531 1
1 131 . 9 1 1 A 19 19 LEU CB C 19 41.955 43.511 -1.556 1
1 143 . 9 1 1 A 19 19 LEU C C 19 176.135 175.364 0.771 1
1 145 . 9 1 1 A 20 20 GLN N N 20 127.739 126.848 0.891 1
1 146 . 9 1 1 A 20 20 GLN H H 20 8.669 8.773 -0.104 1
1 147 . 9 1 1 A 20 20 GLN CA C 20 55.617 54.745 0.872 1
1 148 . 9 1 1 A 20 20 GLN HA H 20 4.400 4.538 -0.138 1
1 149 . 9 1 1 A 20 20 GLN CB C 20 29.298 29.245 0.053 1
1 156 . 9 1 1 A 20 20 GLN C C 20 175.033 176.095 -1.062 1
1 159 . 9 1 1 A 21 21 GLU N N 21 121.152 126.208 -5.056 1
1 160 . 9 1 1 A 21 21 GLU H H 21 8.546 8.737 -0.191 1
1 161 . 9 1 1 A 21 21 GLU CA C 21 57.598 58.207 -0.609 1
1 162 . 9 1 1 A 21 21 GLU HA H 21 4.310 4.489 -0.179 1
1 163 . 9 1 1 A 21 21 GLU CB C 21 30.764 30.881 -0.117 1
1 167 . 9 1 1 A 21 21 GLU C C 21 176.581 177.103 -0.522 1
1 170 . 9 1 1 A 22 22 SER N N 22 113.328 111.426 1.902 1
1 171 . 9 1 1 A 22 22 SER H H 22 8.018 7.875 0.143 1
1 172 . 9 1 1 A 22 22 SER CA C 22 57.682 56.984 0.698 1
1 173 . 9 1 1 A 22 22 SER HA H 22 4.997 4.659 0.338 1
1 174 . 9 1 1 A 22 22 SER CB C 22 64.489 63.422 1.067 1
1 176 . 9 1 1 A 22 22 SER C C 22 174.062 175.447 -1.385 1
1 178 . 9 1 1 A 23 23 GLY N N 23 109.317 109.824 -0.507 1
1 179 . 9 1 1 A 23 23 GLY H H 23 8.828 7.901 0.927 1
1 180 . 9 1 1 A 23 23 GLY CA C 23 45.609 45.407 0.202 1
1 181 . 9 1 1 A 23 23 GLY HA3 H 23 4.116 4.098 0.018 1
1 182 . 9 1 1 A 23 23 GLY C C 23 174.629 174.385 0.244 1
1 183 . 9 1 1 A 23 23 GLY HA2 H 23 3.832 4.098 -0.266 1
1 184 . 9 1 1 A 24 24 LEU N N 24 120.545 121.063 -0.518 1
1 185 . 9 1 1 A 24 24 LEU H H 24 7.559 7.323 0.236 1
1 186 . 9 1 1 A 24 24 LEU CA C 24 55.569 55.553 0.016 1
1 187 . 9 1 1 A 24 24 LEU HA H 24 4.310 4.266 0.044 1
1 188 . 9 1 1 A 24 24 LEU CB C 24 42.978 42.229 0.749 1
1 200 . 9 1 1 A 24 24 LEU C C 24 176.704 175.705 0.999 1
1 202 . 9 1 1 A 25 25 LYS N N 25 122.188 119.837 2.351 1
1 203 . 9 1 1 A 25 25 LYS H H 25 8.828 8.595 0.233 1
1 204 . 9 1 1 A 25 25 LYS CA C 25 54.686 54.404 0.282 1
1 205 . 9 1 1 A 25 25 LYS HA H 25 4.676 5.088 -0.412 1
1 206 . 9 1 1 A 25 25 LYS CB C 25 35.736 36.249 -0.513 1
1 214 . 9 1 1 A 25 25 LYS C C 25 175.885 176.612 -0.727 1
1 219 . 9 1 1 A 26 26 VAL N N 26 121.689 122.566 -0.877 1
1 220 . 9 1 1 A 26 26 VAL H H 26 8.503 8.500 0.003 1
1 221 . 9 1 1 A 26 26 VAL CA C 26 64.069 61.995 2.074 1
1 222 . 9 1 1 A 26 26 VAL HA H 26 3.218 4.314 -1.096 1
1 223 . 9 1 1 A 26 26 VAL CB C 26 31.636 32.779 -1.143 1
1 233 . 9 1 1 A 26 26 VAL C C 26 175.837 175.971 -0.134 1
1 234 . 9 1 1 A 27 27 ASN N N 27 116.772 122.836 -6.064 1
1 235 . 9 1 1 A 27 27 ASN H H 27 8.682 9.135 -0.453 1
1 236 . 9 1 1 A 27 27 ASN CA C 27 55.183 54.057 1.126 1
1 237 . 9 1 1 A 27 27 ASN HA H 27 4.138 4.418 -0.280 1
1 238 . 9 1 1 A 27 27 ASN CB C 27 37.242 36.295 0.947 1
1 243 . 9 1 1 A 27 27 ASN C C 27 173.308 174.569 -1.261 1
1 245 . 9 1 1 A 28 28 GLN N N 28 118.793 120.267 -1.474 1
1 246 . 9 1 1 A 28 28 GLN H H 28 7.544 7.748 -0.204 1
1 247 . 9 1 1 A 28 28 GLN CA C 28 52.212 52.434 -0.222 1
1 248 . 9 1 1 A 28 28 GLN HA H 28 4.893 4.793 0.100 1
1 249 . 9 1 1 A 28 28 GLN CB C 28 30.060 31.759 -1.699 1
1 256 . 9 1 1 A 28 28 GLN C C 28 173.078 173.555 -0.477 1
1 259 . 9 1 1 A 29 29 PRO CA C 29 63.563 62.755 0.808 1
1 260 . 9 1 1 A 29 29 PRO HA H 29 4.294 4.651 -0.357 1
1 261 . 9 1 1 A 29 29 PRO CB C 29 31.874 31.748 0.126 1
1 267 . 9 1 1 A 29 29 PRO C C 29 175.250 175.766 -0.516 1
1 271 . 9 1 1 A 30 30 ALA N N 30 128.803 126.205 2.598 1
1 272 . 9 1 1 A 30 30 ALA H H 30 8.887 8.013 0.874 1
1 273 . 9 1 1 A 30 30 ALA CA C 30 50.558 50.386 0.172 1
1 274 . 9 1 1 A 30 30 ALA HA H 30 4.539 5.016 -0.477 1
1 275 . 9 1 1 A 30 30 ALA CB C 30 21.602 23.069 -1.467 1
1 279 . 9 1 1 A 30 30 ALA C C 30 175.510 175.356 0.154 1
1 280 . 9 1 1 A 31 31 SER N N 31 112.512 112.686 -0.174 1
1 281 . 9 1 1 A 31 31 SER H H 31 8.214 8.532 -0.318 1
1 282 . 9 1 1 A 31 31 SER CA C 31 56.701 57.343 -0.642 1
1 283 . 9 1 1 A 31 31 SER HA H 31 5.832 5.379 0.453 1
1 284 . 9 1 1 A 31 31 SER CB C 31 66.721 66.310 0.411 1
1 286 . 9 1 1 A 31 31 SER C C 31 173.379 172.967 0.412 1
1 288 . 9 1 1 A 32 32 PHE N N 32 119.232 117.914 1.318 1
1 289 . 9 1 1 A 32 32 PHE H H 32 8.798 8.230 0.568 1
1 290 . 9 1 1 A 32 32 PHE CA C 32 56.218 55.723 0.495 1
1 291 . 9 1 1 A 32 32 PHE HA H 32 4.925 5.450 -0.525 1
1 292 . 9 1 1 A 32 32 PHE CB C 32 39.752 42.246 -2.494 1
1 304 . 9 1 1 A 32 32 PHE C C 32 172.709 172.272 0.437 1
1 306 . 9 1 1 A 33 33 ALA N N 33 122.788 122.063 0.725 1
1 307 . 9 1 1 A 33 33 ALA H H 33 8.827 8.495 0.332 1
1 308 . 9 1 1 A 33 33 ALA CA C 33 50.616 49.844 0.772 1
1 309 . 9 1 1 A 33 33 ALA HA H 33 5.654 5.550 0.104 1
1 310 . 9 1 1 A 33 33 ALA CB C 33 22.616 22.595 0.021 1
1 314 . 9 1 1 A 33 33 ALA C C 33 175.770 176.159 -0.389 1
1 315 . 9 1 1 A 34 34 ILE N N 34 118.542 122.358 -3.816 1
1 316 . 9 1 1 A 34 34 ILE H H 34 9.194 8.962 0.232 1
1 317 . 9 1 1 A 34 34 ILE CA C 34 59.486 60.529 -1.043 1
1 318 . 9 1 1 A 34 34 ILE HA H 34 4.978 4.524 0.454 1
1 319 . 9 1 1 A 34 34 ILE CB C 34 42.577 38.926 3.651 1
1 331 . 9 1 1 A 34 34 ILE C C 34 174.924 175.025 -0.101 1
1 333 . 9 1 1 A 35 35 ARG N N 35 126.774 128.779 -2.005 1
1 334 . 9 1 1 A 35 35 ARG H H 35 9.038 8.847 0.191 1
1 335 . 9 1 1 A 35 35 ARG CA C 35 54.096 56.633 -2.537 1
1 336 . 9 1 1 A 35 35 ARG HA H 35 5.283 4.619 0.664 1
1 337 . 9 1 1 A 35 35 ARG CB C 35 32.039 31.018 1.021 1
1 343 . 9 1 1 A 35 35 ARG C C 35 175.959 175.036 0.923 1
1 347 . 9 1 1 A 36 36 LEU N N 36 123.887 127.454 -3.567 1
1 348 . 9 1 1 A 36 36 LEU H H 36 8.648 8.481 0.167 1
1 349 . 9 1 1 A 36 36 LEU CA C 36 56.318 53.558 2.760 1
1 350 . 9 1 1 A 36 36 LEU HA H 36 4.037 4.793 -0.756 1
1 351 . 9 1 1 A 36 36 LEU CB C 36 41.028 43.294 -2.266 1
1 363 . 9 1 1 A 36 36 LEU C C 36 177.292 176.623 0.669 1
1 365 . 9 1 1 A 37 37 ASN N N 37 115.087 123.143 -8.056 1
1 366 . 9 1 1 A 37 37 ASN H H 37 8.594 9.024 -0.430 1
1 367 . 9 1 1 A 37 37 ASN CA C 37 54.182 53.157 1.025 1
1 368 . 9 1 1 A 37 37 ASN HA H 37 4.407 4.746 -0.339 1
1 369 . 9 1 1 A 37 37 ASN CB C 37 37.687 38.873 -1.186 1
1 374 . 9 1 1 A 37 37 ASN C C 37 176.277 175.719 0.558 1
1 376 . 9 1 1 A 38 38 GLY N N 38 106.329 107.331 -1.002 1
1 377 . 9 1 1 A 38 38 GLY H H 38 9.506 7.900 1.606 1
1 378 . 9 1 1 A 38 38 GLY CA C 38 45.290 45.444 -0.154 1
1 379 . 9 1 1 A 38 38 GLY HA3 H 38 4.156 4.038 0.118 1
1 380 . 9 1 1 A 38 38 GLY C C 38 174.483 174.134 0.349 1
1 381 . 9 1 1 A 38 38 GLY HA2 H 38 3.617 4.027 -0.410 1
1 382 . 9 1 1 A 39 39 ALA N N 39 124.015 123.073 0.942 1
1 383 . 9 1 1 A 39 39 ALA H H 39 7.483 7.844 -0.361 1
1 384 . 9 1 1 A 39 39 ALA CA C 39 52.396 50.941 1.455 1
1 385 . 9 1 1 A 39 39 ALA HA H 39 4.280 4.534 -0.254 1
1 386 . 9 1 1 A 39 39 ALA CB C 39 20.424 20.252 0.172 1
1 390 . 9 1 1 A 39 39 ALA C C 39 176.275 177.700 -1.425 1
1 391 . 9 1 1 A 40 40 LYS N N 40 119.513 119.817 -0.304 1
1 392 . 9 1 1 A 40 40 LYS H H 40 8.685 8.720 -0.035 1
1 393 . 9 1 1 A 40 40 LYS CA C 40 54.696 54.863 -0.167 1
1 394 . 9 1 1 A 40 40 LYS HA H 40 4.811 5.177 -0.366 1
1 395 . 9 1 1 A 40 40 LYS CB C 40 34.324 35.211 -0.887 1
1 403 . 9 1 1 A 40 40 LYS C C 40 176.004 175.595 0.409 1
1 408 . 9 1 1 A 41 41 GLY N N 41 111.941 106.574 5.367 1
1 409 . 9 1 1 A 41 41 GLY H H 41 8.398 8.352 0.046 1
1 410 . 9 1 1 A 41 41 GLY CA C 41 45.887 45.722 0.165 1
1 411 . 9 1 1 A 41 41 GLY HA3 H 41 3.722 4.124 -0.402 1
1 412 . 9 1 1 A 41 41 GLY C C 41 171.021 171.752 -0.731 1
1 413 . 9 1 1 A 41 41 GLY HA2 H 41 3.722 3.888 -0.166 1
1 414 . 9 1 1 A 42 42 LYS N N 42 119.600 122.234 -2.634 1
1 415 . 9 1 1 A 42 42 LYS H H 42 7.293 7.575 -0.282 1
1 416 . 9 1 1 A 42 42 LYS CA C 42 54.522 54.584 -0.062 1
1 417 . 9 1 1 A 42 42 LYS HA H 42 4.467 4.894 -0.427 1
1 418 . 9 1 1 A 42 42 LYS CB C 42 34.979 35.450 -0.471 1
1 426 . 9 1 1 A 42 42 LYS C C 42 175.675 175.360 0.315 1
1 431 . 9 1 1 A 43 43 ILE N N 43 127.421 126.049 1.372 1
1 432 . 9 1 1 A 43 43 ILE H H 43 8.706 8.901 -0.195 1
1 433 . 9 1 1 A 43 43 ILE CA C 43 60.336 60.362 -0.026 1
1 434 . 9 1 1 A 43 43 ILE HA H 43 4.695 4.700 -0.005 1
1 435 . 9 1 1 A 43 43 ILE CB C 43 39.322 37.965 1.357 1
1 447 . 9 1 1 A 43 43 ILE C C 43 174.542 174.118 0.424 1
1 449 . 9 1 1 A 44 44 ASP N N 44 127.995 129.387 -1.392 1
1 450 . 9 1 1 A 44 44 ASP H H 44 8.861 8.786 0.075 1
1 451 . 9 1 1 A 44 44 ASP CA C 44 53.245 52.712 0.533 1
1 452 . 9 1 1 A 44 44 ASP HA H 44 4.817 5.285 -0.468 1
1 453 . 9 1 1 A 44 44 ASP CB C 44 44.577 44.192 0.385 1
1 455 . 9 1 1 A 44 44 ASP C C 44 173.768 174.419 -0.651 1
1 457 . 9 1 1 A 45 45 ALA N N 45 127.601 127.827 -0.226 1
1 458 . 9 1 1 A 45 45 ALA H H 45 8.819 8.986 -0.167 1
1 459 . 9 1 1 A 45 45 ALA CA C 45 50.180 51.275 -1.095 1
1 460 . 9 1 1 A 45 45 ALA HA H 45 5.859 5.203 0.656 1
1 461 . 9 1 1 A 45 45 ALA CB C 45 21.379 21.601 -0.222 1
1 465 . 9 1 1 A 45 45 ALA C C 45 175.393 176.001 -0.608 1
1 466 . 9 1 1 A 46 46 LYS N N 46 122.427 122.041 0.386 1
1 467 . 9 1 1 A 46 46 LYS H H 46 8.723 8.447 0.276 1
1 468 . 9 1 1 A 46 46 LYS CA C 46 55.090 54.796 0.294 1
1 469 . 9 1 1 A 46 46 LYS HA H 46 5.057 4.967 0.090 1
1 470 . 9 1 1 A 46 46 LYS CB C 46 37.534 36.706 0.828 1
1 478 . 9 1 1 A 46 46 LYS C C 46 173.473 174.405 -0.932 1
1 483 . 9 1 1 A 47 47 VAL N N 47 120.177 122.619 -2.442 1
1 484 . 9 1 1 A 47 47 VAL H H 47 8.989 8.613 0.376 1
1 485 . 9 1 1 A 47 47 VAL CA C 47 59.152 60.234 -1.082 1
1 486 . 9 1 1 A 47 47 VAL HA H 47 4.875 4.691 0.184 1
1 487 . 9 1 1 A 47 47 VAL CB C 47 34.502 33.876 0.626 1
1 497 . 9 1 1 A 47 47 VAL C C 47 173.786 174.335 -0.549 1
1 498 . 9 1 1 A 48 48 HIS N N 48 127.949 128.341 -0.392 1
1 499 . 9 1 1 A 48 48 HIS H H 48 9.661 9.246 0.415 1
1 500 . 9 1 1 A 48 48 HIS CA C 48 53.917 55.416 -1.499 1
1 501 . 9 1 1 A 48 48 HIS HA H 48 5.238 5.115 0.123 1
1 502 . 9 1 1 A 48 48 HIS CB C 48 30.549 32.494 -1.945 1
1 508 . 9 1 1 A 48 48 HIS C C 48 175.556 174.701 0.855 1
1 510 . 9 1 1 A 49 49 SER N N 49 121.639 115.339 6.300 1
1 511 . 9 1 1 A 49 49 SER H H 49 9.114 8.653 0.461 1
1 512 . 9 1 1 A 49 49 SER CA C 49 56.693 55.482 1.211 1
1 513 . 9 1 1 A 49 49 SER HA H 49 4.391 4.856 -0.465 1
1 514 . 9 1 1 A 49 49 SER CB C 49 63.160 65.970 -2.810 1
1 516 . 9 1 1 A 49 49 SER C C 49 174.390 174.705 -0.315 1
1 518 . 9 1 1 A 50 50 PRO CA C 50 65.732 64.143 1.589 1
1 519 . 9 1 1 A 50 50 PRO HA H 50 4.247 4.484 -0.237 1
1 520 . 9 1 1 A 50 50 PRO CB C 50 31.516 31.665 -0.149 1
1 526 . 9 1 1 A 50 50 PRO C C 50 177.969 177.725 0.244 1
1 530 . 9 1 1 A 51 51 SER N N 51 110.808 112.810 -2.002 1
1 531 . 9 1 1 A 51 51 SER H H 51 8.539 7.816 0.723 1
1 532 . 9 1 1 A 51 51 SER CA C 51 59.311 58.529 0.782 1
1 533 . 9 1 1 A 51 51 SER HA H 51 4.331 4.539 -0.208 1
1 534 . 9 1 1 A 51 51 SER CB C 51 62.767 64.093 -1.326 1
1 536 . 9 1 1 A 51 51 SER C C 51 175.339 174.745 0.594 1
1 538 . 9 1 1 A 52 52 GLY N N 52 110.692 109.271 1.421 1
1 539 . 9 1 1 A 52 52 GLY H H 52 8.181 8.183 -0.002 1
1 540 . 9 1 1 A 52 52 GLY CA C 52 44.862 45.482 -0.620 1
1 541 . 9 1 1 A 52 52 GLY HA3 H 52 4.444 4.034 0.410 1
1 542 . 9 1 1 A 52 52 GLY C C 52 174.389 174.105 0.284 1
1 543 . 9 1 1 A 52 52 GLY HA2 H 52 3.634 4.017 -0.383 1
1 544 . 9 1 1 A 53 53 ALA N N 53 124.417 122.717 1.700 1
1 545 . 9 1 1 A 53 53 ALA H H 53 7.419 7.797 -0.378 1
1 546 . 9 1 1 A 53 53 ALA CA C 53 52.538 50.510 2.028 1
1 547 . 9 1 1 A 53 53 ALA HA H 53 4.373 4.656 -0.283 1
1 548 . 9 1 1 A 53 53 ALA CB C 53 19.207 21.354 -2.147 1
1 552 . 9 1 1 A 53 53 ALA C C 53 176.519 175.974 0.545 1
1 553 . 9 1 1 A 54 54 VAL N N 54 121.228 123.167 -1.939 1
1 554 . 9 1 1 A 54 54 VAL H H 54 8.429 8.734 -0.305 1
1 555 . 9 1 1 A 54 54 VAL CA C 54 60.672 61.328 -0.656 1
1 556 . 9 1 1 A 54 54 VAL HA H 54 4.980 4.426 0.554 1
1 557 . 9 1 1 A 54 54 VAL CB C 54 33.933 32.663 1.270 1
1 567 . 9 1 1 A 54 54 VAL C C 54 175.443 175.290 0.153 1
1 568 . 9 1 1 A 55 55 GLU N N 55 126.290 127.231 -0.941 1
1 569 . 9 1 1 A 55 55 GLU H H 55 8.640 8.996 -0.356 1
1 570 . 9 1 1 A 55 55 GLU CA C 55 54.306 54.706 -0.400 1
1 571 . 9 1 1 A 55 55 GLU HA H 55 4.754 4.808 -0.054 1
1 572 . 9 1 1 A 55 55 GLU CB C 55 33.612 32.591 1.021 1
1 576 . 9 1 1 A 55 55 GLU C C 55 175.073 174.579 0.494 1
1 579 . 9 1 1 A 56 56 GLU N N 56 123.200 122.905 0.295 1
1 580 . 9 1 1 A 56 56 GLU H H 56 8.878 8.853 0.025 1
1 581 . 9 1 1 A 56 56 GLU CA C 56 56.966 55.076 1.890 1
1 582 . 9 1 1 A 56 56 GLU HA H 56 4.479 5.053 -0.574 1
1 583 . 9 1 1 A 56 56 GLU CB C 56 30.258 32.654 -2.396 1
1 587 . 9 1 1 A 56 56 GLU C C 56 177.592 175.253 2.339 1
1 590 . 9 1 1 A 57 57 CYS N N 57 121.919 125.127 -3.208 1
1 591 . 9 1 1 A 57 57 CYS H H 57 8.496 8.266 0.230 1
1 592 . 9 1 1 A 57 57 CYS CA C 57 59.030 58.021 1.009 1
1 593 . 9 1 1 A 57 57 CYS HA H 57 4.690 5.091 -0.401 1
1 594 . 9 1 1 A 57 57 CYS CB C 57 29.620 28.554 1.066 1
1 596 . 9 1 1 A 57 57 CYS C C 57 173.871 174.294 -0.423 1
1 598 . 9 1 1 A 58 58 HIS N N 58 123.415 124.010 -0.595 1
1 599 . 9 1 1 A 58 58 HIS H H 58 8.961 8.738 0.223 1
1 600 . 9 1 1 A 58 58 HIS CA C 58 56.751 56.591 0.160 1
1 601 . 9 1 1 A 58 58 HIS HA H 58 4.725 4.652 0.073 1
1 602 . 9 1 1 A 58 58 HIS CB C 58 31.813 29.959 1.854 1
1 608 . 9 1 1 A 58 58 HIS C C 58 174.903 173.305 1.598 1
1 610 . 9 1 1 A 59 59 VAL N N 59 128.900 129.433 -0.533 1
1 611 . 9 1 1 A 59 59 VAL H H 59 8.521 9.030 -0.509 1
1 612 . 9 1 1 A 59 59 VAL CA C 59 61.131 61.043 0.088 1
1 613 . 9 1 1 A 59 59 VAL HA H 59 5.142 4.582 0.560 1
1 614 . 9 1 1 A 59 59 VAL CB C 59 33.825 32.838 0.987 1
1 624 . 9 1 1 A 59 59 VAL C C 59 175.539 174.446 1.093 1
1 625 . 9 1 1 A 60 60 SER N N 60 120.428 122.522 -2.094 1
1 626 . 9 1 1 A 60 60 SER H H 60 8.995 8.569 0.426 1
1 627 . 9 1 1 A 60 60 SER CA C 60 56.782 56.193 0.589 1
1 628 . 9 1 1 A 60 60 SER HA H 60 4.823 5.113 -0.290 1
1 629 . 9 1 1 A 60 60 SER CB C 60 65.880 64.759 1.121 1
1 631 . 9 1 1 A 60 60 SER C C 60 172.353 172.422 -0.069 1
1 633 . 9 1 1 A 61 61 GLU N N 61 125.163 126.741 -1.578 1
1 634 . 9 1 1 A 61 61 GLU H H 61 8.894 8.698 0.196 1
1 635 . 9 1 1 A 61 61 GLU CA C 61 57.081 55.008 2.073 1
1 636 . 9 1 1 A 61 61 GLU HA H 61 3.545 3.981 -0.436 1
1 637 . 9 1 1 A 61 61 GLU CB C 61 30.675 29.076 1.599 1
1 641 . 9 1 1 A 61 61 GLU C C 61 176.353 175.659 0.694 1
1 644 . 9 1 1 A 62 62 LEU N N 62 129.563 128.526 1.037 1
1 645 . 9 1 1 A 62 62 LEU H H 62 8.800 8.577 0.223 1
1 646 . 9 1 1 A 62 62 LEU CA C 62 56.462 56.110 0.352 1
1 647 . 9 1 1 A 62 62 LEU HA H 62 4.341 4.243 0.098 1
1 648 . 9 1 1 A 62 62 LEU CB C 62 44.020 42.713 1.307 1
1 660 . 9 1 1 A 62 62 LEU C C 62 176.662 177.054 -0.392 1
1 662 . 9 1 1 A 63 63 GLU N N 63 117.143 118.018 -0.875 1
1 663 . 9 1 1 A 63 63 GLU H H 63 8.292 7.559 0.733 1
1 664 . 9 1 1 A 63 63 GLU CA C 63 53.777 53.079 0.698 1
1 665 . 9 1 1 A 63 63 GLU HA H 63 4.655 4.665 -0.010 1
1 666 . 9 1 1 A 63 63 GLU CB C 63 29.768 31.232 -1.464 1
1 670 . 9 1 1 A 63 63 GLU C C 63 172.058 176.181 -4.123 1
1 673 . 9 1 1 A 64 64 PRO CA C 64 65.767 64.299 1.468 1
1 674 . 9 1 1 A 64 64 PRO HA H 64 4.227 4.556 -0.329 1
1 675 . 9 1 1 A 64 64 PRO CB C 64 31.005 31.820 -0.815 1
1 681 . 9 1 1 A 64 64 PRO C C 64 177.068 176.245 0.823 1
1 685 . 9 1 1 A 65 65 ASP N N 65 118.425 116.732 1.693 1
1 686 . 9 1 1 A 65 65 ASP H H 65 8.965 8.384 0.581 1
1 687 . 9 1 1 A 65 65 ASP CA C 65 55.827 54.141 1.686 1
1 688 . 9 1 1 A 65 65 ASP HA H 65 4.589 4.956 -0.367 1
1 689 . 9 1 1 A 65 65 ASP CB C 65 43.713 43.099 0.614 1
1 691 . 9 1 1 A 65 65 ASP C C 65 174.921 175.258 -0.337 1
1 693 . 9 1 1 A 66 66 LYS N N 66 120.940 119.615 1.325 1
1 694 . 9 1 1 A 66 66 LYS H H 66 8.476 7.269 1.207 1
1 695 . 9 1 1 A 66 66 LYS CA C 66 55.938 55.724 0.214 1
1 696 . 9 1 1 A 66 66 LYS HA H 66 5.476 5.075 0.401 1
1 697 . 9 1 1 A 66 66 LYS CB C 66 36.812 35.997 0.815 1
1 705 . 9 1 1 A 66 66 LYS C C 66 173.912 174.220 -0.308 1
1 710 . 9 1 1 A 67 67 TYR N N 67 126.047 123.349 2.698 1
1 711 . 9 1 1 A 67 67 TYR H H 67 9.291 8.963 0.328 1
1 712 . 9 1 1 A 67 67 TYR CA C 67 56.589 56.548 0.041 1
1 713 . 9 1 1 A 67 67 TYR HA H 67 5.136 5.291 -0.155 1
1 714 . 9 1 1 A 67 67 TYR CB C 67 41.933 43.359 -1.426 1
1 724 . 9 1 1 A 67 67 TYR C C 67 174.424 174.459 -0.035 1
1 726 . 9 1 1 A 68 68 ALA N N 68 123.234 122.633 0.601 1
1 727 . 9 1 1 A 68 68 ALA H H 68 9.393 8.634 0.759 1
1 728 . 9 1 1 A 68 68 ALA CA C 68 50.620 50.202 0.418 1
1 729 . 9 1 1 A 68 68 ALA HA H 68 5.002 5.417 -0.415 1
1 730 . 9 1 1 A 68 68 ALA CB C 68 21.211 23.004 -1.793 1
1 734 . 9 1 1 A 68 68 ALA C C 68 176.258 175.513 0.745 1
1 735 . 9 1 1 A 69 69 VAL N N 69 121.910 119.910 2.000 1
1 736 . 9 1 1 A 69 69 VAL H H 69 8.412 8.259 0.153 1
1 737 . 9 1 1 A 69 69 VAL CA C 69 61.147 61.197 -0.050 1
1 738 . 9 1 1 A 69 69 VAL HA H 69 4.587 4.832 -0.245 1
1 739 . 9 1 1 A 69 69 VAL CB C 69 32.409 34.274 -1.865 1
1 749 . 9 1 1 A 69 69 VAL C C 69 174.300 173.651 0.649 1
1 750 . 9 1 1 A 70 70 ARG N N 70 125.218 129.838 -4.620 1
1 751 . 9 1 1 A 70 70 ARG H H 70 8.926 9.300 -0.374 1
1 752 . 9 1 1 A 70 70 ARG CA C 70 54.404 54.504 -0.100 1
1 753 . 9 1 1 A 70 70 ARG HA H 70 5.665 5.185 0.480 1
1 754 . 9 1 1 A 70 70 ARG CB C 70 34.966 32.232 2.734 1
1 760 . 9 1 1 A 70 70 ARG C C 70 175.124 175.022 0.102 1
1 764 . 9 1 1 A 71 71 PHE N N 71 120.657 120.330 0.327 1
1 765 . 9 1 1 A 71 71 PHE H H 71 8.780 9.141 -0.361 1
1 766 . 9 1 1 A 71 71 PHE CA C 71 55.969 56.268 -0.299 1
1 767 . 9 1 1 A 71 71 PHE HA H 71 5.082 5.090 -0.008 1
1 768 . 9 1 1 A 71 71 PHE CB C 71 41.335 41.299 0.036 1
1 780 . 9 1 1 A 71 71 PHE C C 71 171.920 172.060 -0.140 1
1 782 . 9 1 1 A 72 72 ILE N N 72 120.347 121.947 -1.600 1
1 783 . 9 1 1 A 72 72 ILE H H 72 8.714 8.979 -0.265 1
1 784 . 9 1 1 A 72 72 ILE CA C 72 57.669 58.159 -0.490 1
1 785 . 9 1 1 A 72 72 ILE HA H 72 4.469 4.561 -0.092 1
1 786 . 9 1 1 A 72 72 ILE CB C 72 39.824 38.676 1.148 1
1 798 . 9 1 1 A 72 72 ILE C C 72 173.612 175.116 -1.504 1
1 800 . 9 1 1 A 73 73 PRO CA C 73 62.050 62.327 -0.277 1
1 801 . 9 1 1 A 73 73 PRO HA H 73 4.493 4.850 -0.357 1
1 802 . 9 1 1 A 73 73 PRO CB C 73 33.680 29.310 4.370 1
1 808 . 9 1 1 A 73 73 PRO C C 73 176.990 175.701 1.289 1
1 812 . 9 1 1 A 74 74 HIS N N 74 119.655 117.653 2.002 1
1 813 . 9 1 1 A 74 74 HIS H H 74 10.240 8.521 1.719 1
1 814 . 9 1 1 A 74 74 HIS CA C 74 54.660 53.798 0.862 1
1 815 . 9 1 1 A 74 74 HIS HA H 74 5.035 5.686 -0.651 1
1 816 . 9 1 1 A 74 74 HIS CB C 74 30.530 31.701 -1.171 1
1 822 . 9 1 1 A 74 74 HIS C C 74 173.624 174.167 -0.543 1
1 824 . 9 1 1 A 75 75 GLU N N 75 118.178 122.968 -4.790 1
1 825 . 9 1 1 A 75 75 GLU H H 75 7.772 8.753 -0.981 1
1 826 . 9 1 1 A 75 75 GLU CA C 75 54.166 54.224 -0.058 1
1 827 . 9 1 1 A 75 75 GLU HA H 75 4.654 4.763 -0.109 1
1 828 . 9 1 1 A 75 75 GLU CB C 75 33.422 33.434 -0.012 1
1 832 . 9 1 1 A 75 75 GLU C C 75 173.599 175.772 -2.173 1
1 835 . 9 1 1 A 76 76 ASN N N 76 116.760 117.178 -0.418 1
1 836 . 9 1 1 A 76 76 ASN H H 76 8.530 8.639 -0.109 1
1 837 . 9 1 1 A 76 76 ASN CA C 76 53.486 52.001 1.485 1
1 838 . 9 1 1 A 76 76 ASN HA H 76 4.606 5.097 -0.491 1
1 839 . 9 1 1 A 76 76 ASN CB C 76 40.184 38.363 1.821 1
1 844 . 9 1 1 A 76 76 ASN C C 76 175.598 175.120 0.478 1
1 846 . 9 1 1 A 77 77 GLY N N 77 106.497 107.912 -1.415 1
1 847 . 9 1 1 A 77 77 GLY H H 77 9.152 7.471 1.681 1
1 848 . 9 1 1 A 77 77 GLY CA C 77 43.752 46.187 -2.435 1
1 849 . 9 1 1 A 77 77 GLY HA3 H 77 4.797 4.125 0.672 1
1 850 . 9 1 1 A 77 77 GLY C C 77 176.329 171.889 4.440 1
1 851 . 9 1 1 A 77 77 GLY HA2 H 77 3.897 4.099 -0.202 1
1 852 . 9 1 1 A 78 78 VAL N N 78 124.582 122.271 2.311 1
1 853 . 9 1 1 A 78 78 VAL H H 78 9.334 8.321 1.013 1
1 854 . 9 1 1 A 78 78 VAL CA C 78 64.642 60.621 4.021 1
1 855 . 9 1 1 A 78 78 VAL HA H 78 4.399 5.052 -0.653 1
1 856 . 9 1 1 A 78 78 VAL CB C 78 31.464 34.297 -2.833 1
1 866 . 9 1 1 A 78 78 VAL C C 78 176.269 175.079 1.190 1
1 867 . 9 1 1 A 79 79 HIS N N 79 129.160 124.969 4.191 1
1 868 . 9 1 1 A 79 79 HIS H H 79 9.854 8.985 0.869 1
1 869 . 9 1 1 A 79 79 HIS CA C 79 55.150 55.041 0.109 1
1 870 . 9 1 1 A 79 79 HIS HA H 79 4.921 5.414 -0.493 1
1 871 . 9 1 1 A 79 79 HIS CB C 79 30.772 32.365 -1.593 1
1 877 . 9 1 1 A 79 79 HIS C C 79 174.062 174.825 -0.763 1
1 879 . 9 1 1 A 80 80 THR N N 80 116.006 115.099 0.907 1
1 880 . 9 1 1 A 80 80 THR H H 80 8.526 8.883 -0.357 1
1 881 . 9 1 1 A 80 80 THR CA C 80 60.983 61.664 -0.681 1
1 882 . 9 1 1 A 80 80 THR HA H 80 5.380 4.953 0.427 1
1 883 . 9 1 1 A 80 80 THR CB C 80 70.590 70.693 -0.103 1
1 889 . 9 1 1 A 80 80 THR C C 80 173.671 173.482 0.189 1
1 890 . 9 1 1 A 81 81 ILE N N 81 127.414 128.948 -1.534 1
1 891 . 9 1 1 A 81 81 ILE H H 81 9.745 9.198 0.547 1
1 892 . 9 1 1 A 81 81 ILE CA C 81 60.037 60.743 -0.706 1
1 893 . 9 1 1 A 81 81 ILE HA H 81 4.867 4.422 0.445 1
1 894 . 9 1 1 A 81 81 ILE CB C 81 39.883 38.135 1.748 1
1 906 . 9 1 1 A 81 81 ILE C C 81 175.279 175.276 0.003 1
1 908 . 9 1 1 A 82 82 ASP N N 82 128.375 125.909 2.466 1
1 909 . 9 1 1 A 82 82 ASP H H 82 9.157 8.947 0.210 1
1 910 . 9 1 1 A 82 82 ASP CA C 82 53.084 52.967 0.117 1
1 911 . 9 1 1 A 82 82 ASP HA H 82 5.060 5.429 -0.369 1
1 912 . 9 1 1 A 82 82 ASP CB C 82 42.929 42.967 -0.038 1
1 914 . 9 1 1 A 82 82 ASP C C 82 175.923 175.129 0.794 1
1 916 . 9 1 1 A 83 83 VAL N N 83 125.651 125.754 -0.103 1
1 917 . 9 1 1 A 83 83 VAL H H 83 9.897 9.243 0.654 1
1 918 . 9 1 1 A 83 83 VAL CA C 83 62.407 61.316 1.091 1
1 919 . 9 1 1 A 83 83 VAL HA H 83 4.553 4.681 -0.128 1
1 920 . 9 1 1 A 83 83 VAL CB C 83 33.233 32.354 0.879 1
1 930 . 9 1 1 A 83 83 VAL C C 83 173.327 174.925 -1.598 1
1 931 . 9 1 1 A 84 84 LYS N N 84 124.405 127.054 -2.649 1
1 932 . 9 1 1 A 84 84 LYS H H 84 8.874 8.653 0.221 1
1 933 . 9 1 1 A 84 84 LYS CA C 84 53.901 54.767 -0.866 1
1 934 . 9 1 1 A 84 84 LYS HA H 84 5.065 4.835 0.230 1
1 935 . 9 1 1 A 84 84 LYS CB C 84 36.851 34.940 1.911 1
1 943 . 9 1 1 A 84 84 LYS C C 84 174.760 175.237 -0.477 1
1 948 . 9 1 1 A 85 85 PHE N N 85 120.871 124.179 -3.308 1
1 949 . 9 1 1 A 85 85 PHE H H 85 9.167 9.300 -0.133 1
1 950 . 9 1 1 A 85 85 PHE CA C 85 56.014 57.587 -1.573 1
1 951 . 9 1 1 A 85 85 PHE HA H 85 5.157 4.934 0.223 1
1 952 . 9 1 1 A 85 85 PHE CB C 85 42.916 42.160 0.756 1
1 964 . 9 1 1 A 85 85 PHE C C 85 175.473 174.799 0.674 1
1 966 . 9 1 1 A 86 86 ASN N N 86 126.732 123.675 3.057 1
1 967 . 9 1 1 A 86 86 ASN H H 86 8.714 8.463 0.251 1
1 968 . 9 1 1 A 86 86 ASN CA C 86 53.835 54.086 -0.251 1
1 969 . 9 1 1 A 86 86 ASN HA H 86 4.216 4.182 0.034 1
1 970 . 9 1 1 A 86 86 ASN CB C 86 36.789 37.613 -0.824 1
1 975 . 9 1 1 A 86 86 ASN C C 86 175.700 175.728 -0.028 1
1 977 . 9 1 1 A 87 87 GLY N N 87 102.449 104.409 -1.960 1
1 978 . 9 1 1 A 87 87 GLY H H 87 8.986 8.625 0.361 1
1 979 . 9 1 1 A 87 87 GLY CA C 87 45.490 46.582 -1.092 1
1 980 . 9 1 1 A 87 87 GLY HA3 H 87 4.223 3.949 0.274 1
1 981 . 9 1 1 A 87 87 GLY C C 87 174.149 173.546 0.603 1
1 982 . 9 1 1 A 87 87 GLY HA2 H 87 3.555 3.935 -0.380 1
1 983 . 9 1 1 A 88 88 SER N N 88 116.260 113.290 2.970 1
1 984 . 9 1 1 A 88 88 SER H H 88 7.670 7.760 -0.090 1
1 985 . 9 1 1 A 88 88 SER CA C 88 57.194 57.627 -0.433 1
1 986 . 9 1 1 A 88 88 SER HA H 88 4.935 4.786 0.149 1
1 987 . 9 1 1 A 88 88 SER CB C 88 65.421 66.330 -0.909 1
1 989 . 9 1 1 A 88 88 SER C C 88 173.491 173.140 0.351 1
1 991 . 9 1 1 A 89 89 HIS N N 89 124.290 125.022 -0.732 1
1 992 . 9 1 1 A 89 89 HIS H H 89 8.847 8.976 -0.129 1
1 993 . 9 1 1 A 89 89 HIS CA C 89 59.048 56.139 2.909 1
1 994 . 9 1 1 A 89 89 HIS HA H 89 4.543 4.789 -0.246 1
1 995 . 9 1 1 A 89 89 HIS CB C 89 32.463 29.632 2.831 1
1 1001 . 9 1 1 A 89 89 HIS C C 89 177.441 175.528 1.913 1
1 1003 . 9 1 1 A 90 90 VAL N N 90 116.253 122.511 -6.258 1
1 1004 . 9 1 1 A 90 90 VAL H H 90 8.283 8.112 0.171 1
1 1005 . 9 1 1 A 90 90 VAL CA C 90 60.279 62.228 -1.949 1
1 1006 . 9 1 1 A 90 90 VAL HA H 90 4.291 4.018 0.273 1
1 1007 . 9 1 1 A 90 90 VAL CB C 90 31.601 33.190 -1.589 1
1 1017 . 9 1 1 A 90 90 VAL C C 90 176.074 175.665 0.409 1
1 1018 . 9 1 1 A 91 91 VAL N N 91 123.139 119.737 3.402 1
1 1019 . 9 1 1 A 91 91 VAL H H 91 8.910 8.448 0.462 1
1 1020 . 9 1 1 A 91 91 VAL CA C 91 66.030 62.845 3.185 1
1 1021 . 9 1 1 A 91 91 VAL HA H 91 3.632 3.917 -0.285 1
1 1022 . 9 1 1 A 91 91 VAL CB C 91 30.897 31.678 -0.781 1
1 1032 . 9 1 1 A 91 91 VAL C C 91 177.012 176.087 0.925 1
1 1033 . 9 1 1 A 92 92 GLY N N 92 116.727 113.632 3.095 1
1 1034 . 9 1 1 A 92 92 GLY H H 92 8.396 8.774 -0.378 1
1 1035 . 9 1 1 A 92 92 GLY CA C 92 44.466 46.172 -1.706 1
1 1036 . 9 1 1 A 92 92 GLY HA3 H 92 4.180 3.631 0.549 1
1 1037 . 9 1 1 A 92 92 GLY C C 92 172.077 173.030 -0.953 1
1 1038 . 9 1 1 A 92 92 GLY HA2 H 92 3.221 3.513 -0.292 1
1 1039 . 9 1 1 A 93 93 SER N N 93 112.885 115.220 -2.335 1
1 1040 . 9 1 1 A 93 93 SER H H 93 7.484 7.520 -0.036 1
1 1041 . 9 1 1 A 93 93 SER CA C 93 54.547 54.638 -0.091 1
1 1042 . 9 1 1 A 93 93 SER HA H 93 4.065 4.484 -0.419 1
1 1043 . 9 1 1 A 93 93 SER CB C 93 62.575 65.295 -2.720 1
1 1045 . 9 1 1 A 93 93 SER C C 93 174.608 171.971 2.637 1
1 1047 . 9 1 1 A 94 94 PRO CA C 94 62.477 62.355 0.122 1
1 1048 . 9 1 1 A 94 94 PRO HA H 94 5.491 4.596 0.895 1
1 1049 . 9 1 1 A 94 94 PRO CB C 94 34.106 31.825 2.281 1
1 1055 . 9 1 1 A 94 94 PRO C C 94 176.779 176.351 0.428 1
1 1059 . 9 1 1 A 95 95 PHE N N 95 123.133 120.780 2.353 1
1 1060 . 9 1 1 A 95 95 PHE H H 95 9.200 8.298 0.902 1
1 1061 . 9 1 1 A 95 95 PHE CA C 95 57.291 57.787 -0.496 1
1 1062 . 9 1 1 A 95 95 PHE HA H 95 4.581 4.784 -0.203 1
1 1063 . 9 1 1 A 95 95 PHE CB C 95 41.165 39.998 1.167 1
1 1075 . 9 1 1 A 95 95 PHE C C 95 175.687 176.034 -0.347 1
1 1077 . 9 1 1 A 96 96 LYS N N 96 122.134 121.950 0.184 1
1 1078 . 9 1 1 A 96 96 LYS H H 96 8.790 8.672 0.118 1
1 1079 . 9 1 1 A 96 96 LYS CA C 96 55.249 55.204 0.045 1
1 1080 . 9 1 1 A 96 96 LYS HA H 96 5.276 5.113 0.163 1
1 1081 . 9 1 1 A 96 96 LYS CB C 96 33.836 35.161 -1.325 1
1 1089 . 9 1 1 A 96 96 LYS C C 96 176.515 176.040 0.475 1
1 1094 . 9 1 1 A 97 97 VAL N N 97 117.706 118.071 -0.365 1
1 1095 . 9 1 1 A 97 97 VAL H H 97 8.873 8.563 0.310 1
1 1096 . 9 1 1 A 97 97 VAL CA C 97 59.188 59.346 -0.158 1
1 1097 . 9 1 1 A 97 97 VAL HA H 97 4.917 4.867 0.050 1
1 1098 . 9 1 1 A 97 97 VAL CB C 97 35.185 35.698 -0.513 1
1 1108 . 9 1 1 A 97 97 VAL C C 97 173.801 173.937 -0.136 1
1 1109 . 9 1 1 A 98 98 ARG N N 98 125.203 124.859 0.344 1
1 1110 . 9 1 1 A 98 98 ARG H H 98 8.826 9.403 -0.577 1
1 1111 . 9 1 1 A 98 98 ARG CA C 98 56.337 55.106 1.231 1
1 1112 . 9 1 1 A 98 98 ARG HA H 98 4.610 4.878 -0.268 1
1 1113 . 9 1 1 A 98 98 ARG CB C 98 32.031 31.891 0.140 1
1 1119 . 9 1 1 A 98 98 ARG C C 98 174.438 175.979 -1.541 1
1 1123 . 9 1 1 A 99 99 VAL N N 99 127.382 127.610 -0.228 1
1 1124 . 9 1 1 A 99 99 VAL H H 99 8.144 8.900 -0.756 1
1 1125 . 9 1 1 A 99 99 VAL CA C 99 61.216 62.459 -1.243 1
1 1126 . 9 1 1 A 99 99 VAL HA H 99 4.115 4.369 -0.254 1
1 1127 . 9 1 1 A 99 99 VAL CB C 99 32.590 31.896 0.694 1
1 1137 . 9 1 1 A 99 99 VAL C C 99 176.994 175.114 1.880 1
1 1138 . 9 1 1 A 100 100 GLY N N 100 117.424 113.862 3.562 1
1 1139 . 9 1 1 A 100 100 GLY H H 100 8.682 8.227 0.455 1
1 1140 . 9 1 1 A 100 100 GLY CA C 100 44.650 45.605 -0.955 1
1 1141 . 9 1 1 A 100 100 GLY HA3 H 100 4.386 4.169 0.217 1
1 1142 . 9 1 1 A 100 100 GLY C C 100 173.180 172.337 0.843 1
1 1143 . 9 1 1 A 100 100 GLY HA2 H 100 3.954 4.167 -0.213 1
1 1144 . 9 1 1 A 101 101 GLU N N 101 119.495 117.473 2.022 1
1 1145 . 9 1 1 A 101 101 GLU H H 101 8.383 8.681 -0.298 1
1 1146 . 9 1 1 A 101 101 GLU CA C 101 54.168 53.816 0.352 1
1 1147 . 9 1 1 A 101 101 GLU HA H 101 4.661 4.815 -0.154 1
1 1148 . 9 1 1 A 101 101 GLU CB C 101 29.836 32.659 -2.823 1
1 1152 . 9 1 1 A 101 101 GLU C C 101 175.458 176.326 -0.868 1
1 1155 . 9 1 1 A 102 102 PRO CA C 102 63.897 63.699 0.198 1
1 1156 . 9 1 1 A 102 102 PRO HA H 102 4.361 4.429 -0.068 1
1 1157 . 9 1 1 A 102 102 PRO CB C 102 31.946 32.011 -0.065 1
1 1163 . 9 1 1 A 102 102 PRO C C 102 177.509 177.325 0.184 1
1 1167 . 9 1 1 A 103 103 GLY N N 103 109.378 108.573 0.805 1
1 1168 . 9 1 1 A 103 103 GLY H H 103 8.552 7.819 0.733 1
1 1169 . 9 1 1 A 103 103 GLY CA C 103 45.263 45.847 -0.584 1
1 1170 . 9 1 1 A 103 103 GLY HA3 H 103 3.962 3.996 -0.034 1
1 1171 . 9 1 1 A 103 103 GLY C C 103 174.277 174.325 -0.048 1
1 1172 . 9 1 1 A 103 103 GLY HA2 H 103 3.962 3.996 -0.034 1
1 1173 . 9 1 1 A 104 104 GLN N N 104 119.735 121.233 -1.498 1
1 1174 . 9 1 1 A 104 104 GLN H H 104 8.096 8.313 -0.217 1
1 1175 . 9 1 1 A 104 104 GLN CA C 104 55.924 55.808 0.116 1
1 1176 . 9 1 1 A 104 104 GLN HA H 104 4.339 4.228 0.111 1
1 1177 . 9 1 1 A 104 104 GLN CB C 104 29.622 28.387 1.235 1
1 1184 . 9 1 1 A 104 104 GLN C C 104 175.669 174.400 1.269 1
1 1187 . 9 1 1 A 105 105 ALA N N 105 125.603 127.378 -1.775 1
1 1188 . 9 1 1 A 105 105 ALA H H 105 8.389 7.941 0.448 1
1 1189 . 9 1 1 A 105 105 ALA CA C 105 52.416 51.501 0.915 1
1 1190 . 9 1 1 A 105 105 ALA HA H 105 4.385 5.157 -0.772 1
1 1191 . 9 1 1 A 105 105 ALA CB C 105 19.608 22.050 -2.442 1
1 1195 . 9 1 1 A 105 105 ALA C C 105 176.971 176.219 0.752 1
1 1 . 10 1 1 A 8 8 SER CA C 8 59.066 59.800 -0.734 1
1 2 . 10 1 1 A 8 8 SER HA H 8 4.444 4.470 -0.026 1
1 3 . 10 1 1 A 8 8 SER CB C 8 63.749 63.657 0.092 1
1 5 . 10 1 1 A 8 8 SER C C 8 174.832 173.567 1.265 1
1 7 . 10 1 1 A 9 9 ASP N N 9 122.244 126.350 -4.106 1
1 8 . 10 1 1 A 9 9 ASP H H 9 8.460 8.946 -0.486 1
1 9 . 10 1 1 A 9 9 ASP CA C 9 54.943 53.087 1.856 1
1 10 . 10 1 1 A 9 9 ASP HA H 9 4.730 5.025 -0.295 1
1 11 . 10 1 1 A 9 9 ASP CB C 9 41.125 43.929 -2.804 1
1 13 . 10 1 1 A 9 9 ASP C C 9 176.845 174.466 2.379 1
1 15 . 10 1 1 A 10 10 ASP N N 10 120.929 118.951 1.978 1
1 16 . 10 1 1 A 10 10 ASP H H 10 8.121 8.634 -0.513 1
1 17 . 10 1 1 A 10 10 ASP CA C 10 55.841 53.393 2.448 1
1 18 . 10 1 1 A 10 10 ASP HA H 10 4.523 5.011 -0.488 1
1 19 . 10 1 1 A 10 10 ASP CB C 10 41.834 40.285 1.549 1
1 21 . 10 1 1 A 10 10 ASP C C 10 177.047 176.510 0.537 1
1 23 . 10 1 1 A 11 11 ALA N N 11 122.815 123.189 -0.374 1
1 24 . 10 1 1 A 11 11 ALA H H 11 8.520 8.437 0.083 1
1 25 . 10 1 1 A 11 11 ALA CA C 11 54.828 54.360 0.468 1
1 26 . 10 1 1 A 11 11 ALA HA H 11 4.004 3.918 0.086 1
1 27 . 10 1 1 A 11 11 ALA CB C 11 19.454 19.065 0.389 1
1 31 . 10 1 1 A 11 11 ALA C C 11 179.280 179.209 0.071 1
1 32 . 10 1 1 A 12 12 ARG N N 12 115.782 118.084 -2.302 1
1 33 . 10 1 1 A 12 12 ARG H H 12 8.159 7.834 0.325 1
1 34 . 10 1 1 A 12 12 ARG CA C 12 57.578 59.111 -1.533 1
1 35 . 10 1 1 A 12 12 ARG HA H 12 4.310 4.073 0.237 1
1 36 . 10 1 1 A 12 12 ARG CB C 12 29.817 29.742 0.075 1
1 42 . 10 1 1 A 12 12 ARG C C 12 176.412 178.737 -2.325 1
1 46 . 10 1 1 A 13 13 ARG N N 13 117.438 118.335 -0.897 1
1 47 . 10 1 1 A 13 13 ARG H H 13 7.858 7.841 0.017 1
1 48 . 10 1 1 A 13 13 ARG CA C 13 56.855 58.940 -2.085 1
1 49 . 10 1 1 A 13 13 ARG HA H 13 4.183 4.146 0.037 1
1 50 . 10 1 1 A 13 13 ARG CB C 13 30.976 29.866 1.110 1
1 56 . 10 1 1 A 13 13 ARG C C 13 176.451 177.328 -0.877 1
1 60 . 10 1 1 A 14 14 LEU N N 14 121.077 120.942 0.135 1
1 61 . 10 1 1 A 14 14 LEU H H 14 6.925 7.379 -0.454 1
1 62 . 10 1 1 A 14 14 LEU CA C 14 56.582 55.753 0.829 1
1 63 . 10 1 1 A 14 14 LEU HA H 14 4.394 4.050 0.344 1
1 64 . 10 1 1 A 14 14 LEU CB C 14 42.968 42.283 0.685 1
1 76 . 10 1 1 A 14 14 LEU C C 14 177.296 176.533 0.763 1
1 78 . 10 1 1 A 15 15 THR N N 15 115.028 116.549 -1.521 1
1 79 . 10 1 1 A 15 15 THR H H 15 8.716 8.434 0.282 1
1 80 . 10 1 1 A 15 15 THR CA C 15 61.169 61.833 -0.664 1
1 81 . 10 1 1 A 15 15 THR HA H 15 4.667 5.078 -0.411 1
1 82 . 10 1 1 A 15 15 THR CB C 15 71.348 71.165 0.183 1
1 88 . 10 1 1 A 15 15 THR C C 15 173.454 173.169 0.285 1
1 89 . 10 1 1 A 16 16 VAL N N 16 126.736 127.473 -0.737 1
1 90 . 10 1 1 A 16 16 VAL H H 16 8.727 8.856 -0.129 1
1 91 . 10 1 1 A 16 16 VAL CA C 16 62.600 61.740 0.860 1
1 92 . 10 1 1 A 16 16 VAL HA H 16 4.539 4.554 -0.015 1
1 93 . 10 1 1 A 16 16 VAL CB C 16 32.521 31.858 0.663 1
1 103 . 10 1 1 A 16 16 VAL C C 16 175.348 175.254 0.094 1
1 104 . 10 1 1 A 17 17 MET N N 17 126.444 125.488 0.956 1
1 105 . 10 1 1 A 17 17 MET H H 17 9.255 8.583 0.672 1
1 106 . 10 1 1 A 17 17 MET CA C 17 54.872 53.887 0.985 1
1 107 . 10 1 1 A 17 17 MET HA H 17 4.806 4.878 -0.072 1
1 108 . 10 1 1 A 17 17 MET CB C 17 35.443 35.641 -0.198 1
1 116 . 10 1 1 A 17 17 MET C C 17 174.681 176.333 -1.652 1
1 119 . 10 1 1 A 18 18 SER N N 18 112.443 117.679 -5.236 1
1 120 . 10 1 1 A 18 18 SER H H 18 8.568 8.982 -0.414 1
1 121 . 10 1 1 A 18 18 SER CA C 18 58.711 59.027 -0.316 1
1 122 . 10 1 1 A 18 18 SER HA H 18 4.018 4.091 -0.073 1
1 123 . 10 1 1 A 18 18 SER CB C 18 62.009 61.604 0.405 1
1 125 . 10 1 1 A 18 18 SER C C 18 173.373 173.931 -0.558 1
1 127 . 10 1 1 A 19 19 LEU N N 19 122.011 121.864 0.147 1
1 128 . 10 1 1 A 19 19 LEU H H 19 7.996 7.677 0.319 1
1 129 . 10 1 1 A 19 19 LEU CA C 19 54.978 53.590 1.388 1
1 130 . 10 1 1 A 19 19 LEU HA H 19 4.283 4.990 -0.707 1
1 131 . 10 1 1 A 19 19 LEU CB C 19 41.955 44.875 -2.920 1
1 143 . 10 1 1 A 19 19 LEU C C 19 176.135 175.652 0.483 1
1 145 . 10 1 1 A 20 20 GLN N N 20 127.739 126.836 0.903 1
1 146 . 10 1 1 A 20 20 GLN H H 20 8.669 8.634 0.035 1
1 147 . 10 1 1 A 20 20 GLN CA C 20 55.617 56.093 -0.476 1
1 148 . 10 1 1 A 20 20 GLN HA H 20 4.400 4.427 -0.027 1
1 149 . 10 1 1 A 20 20 GLN CB C 20 29.298 30.040 -0.742 1
1 156 . 10 1 1 A 20 20 GLN C C 20 175.033 175.091 -0.058 1
1 159 . 10 1 1 A 21 21 GLU N N 21 121.152 123.264 -2.112 1
1 160 . 10 1 1 A 21 21 GLU H H 21 8.546 9.300 -0.754 1
1 161 . 10 1 1 A 21 21 GLU CA C 21 57.598 57.339 0.259 1
1 162 . 10 1 1 A 21 21 GLU HA H 21 4.310 4.560 -0.250 1
1 163 . 10 1 1 A 21 21 GLU CB C 21 30.764 32.261 -1.497 1
1 167 . 10 1 1 A 21 21 GLU C C 21 176.581 176.476 0.105 1
1 170 . 10 1 1 A 22 22 SER N N 22 113.328 112.660 0.668 1
1 171 . 10 1 1 A 22 22 SER H H 22 8.018 8.193 -0.175 1
1 172 . 10 1 1 A 22 22 SER CA C 22 57.682 57.438 0.244 1
1 173 . 10 1 1 A 22 22 SER HA H 22 4.997 5.076 -0.079 1
1 174 . 10 1 1 A 22 22 SER CB C 22 64.489 64.038 0.451 1
1 176 . 10 1 1 A 22 22 SER C C 22 174.062 175.312 -1.250 1
1 178 . 10 1 1 A 23 23 GLY N N 23 109.317 109.047 0.270 1
1 179 . 10 1 1 A 23 23 GLY H H 23 8.828 7.834 0.994 1
1 180 . 10 1 1 A 23 23 GLY CA C 23 45.609 45.748 -0.139 1
1 181 . 10 1 1 A 23 23 GLY HA3 H 23 4.116 4.091 0.025 1
1 182 . 10 1 1 A 23 23 GLY C C 23 174.629 173.529 1.100 1
1 183 . 10 1 1 A 23 23 GLY HA2 H 23 3.832 4.089 -0.257 1
1 184 . 10 1 1 A 24 24 LEU N N 24 120.545 120.981 -0.436 1
1 185 . 10 1 1 A 24 24 LEU H H 24 7.559 7.451 0.108 1
1 186 . 10 1 1 A 24 24 LEU CA C 24 55.569 53.751 1.818 1
1 187 . 10 1 1 A 24 24 LEU HA H 24 4.310 4.615 -0.305 1
1 188 . 10 1 1 A 24 24 LEU CB C 24 42.978 43.629 -0.651 1
1 200 . 10 1 1 A 24 24 LEU C C 24 176.704 176.218 0.486 1
1 202 . 10 1 1 A 25 25 LYS N N 25 122.188 120.250 1.938 1
1 203 . 10 1 1 A 25 25 LYS H H 25 8.828 8.612 0.216 1
1 204 . 10 1 1 A 25 25 LYS CA C 25 54.686 54.609 0.077 1
1 205 . 10 1 1 A 25 25 LYS HA H 25 4.676 5.028 -0.352 1
1 206 . 10 1 1 A 25 25 LYS CB C 25 35.736 35.049 0.687 1
1 214 . 10 1 1 A 25 25 LYS C C 25 175.885 176.524 -0.639 1
1 219 . 10 1 1 A 26 26 VAL N N 26 121.689 124.833 -3.144 1
1 220 . 10 1 1 A 26 26 VAL H H 26 8.503 8.602 -0.099 1
1 221 . 10 1 1 A 26 26 VAL CA C 26 64.069 62.307 1.762 1
1 222 . 10 1 1 A 26 26 VAL HA H 26 3.218 4.092 -0.874 1
1 223 . 10 1 1 A 26 26 VAL CB C 26 31.636 32.413 -0.777 1
1 233 . 10 1 1 A 26 26 VAL C C 26 175.837 175.775 0.062 1
1 234 . 10 1 1 A 27 27 ASN N N 27 116.772 118.557 -1.785 1
1 235 . 10 1 1 A 27 27 ASN H H 27 8.682 8.984 -0.302 1
1 236 . 10 1 1 A 27 27 ASN CA C 27 55.183 54.390 0.793 1
1 237 . 10 1 1 A 27 27 ASN HA H 27 4.138 4.319 -0.181 1
1 238 . 10 1 1 A 27 27 ASN CB C 27 37.242 37.022 0.220 1
1 243 . 10 1 1 A 27 27 ASN C C 27 173.308 173.926 -0.618 1
1 245 . 10 1 1 A 28 28 GLN N N 28 118.793 117.135 1.658 1
1 246 . 10 1 1 A 28 28 GLN H H 28 7.544 7.683 -0.139 1
1 247 . 10 1 1 A 28 28 GLN CA C 28 52.212 52.431 -0.219 1
1 248 . 10 1 1 A 28 28 GLN HA H 28 4.893 4.731 0.162 1
1 249 . 10 1 1 A 28 28 GLN CB C 28 30.060 30.947 -0.887 1
1 256 . 10 1 1 A 28 28 GLN C C 28 173.078 173.445 -0.367 1
1 259 . 10 1 1 A 29 29 PRO CA C 29 63.563 62.821 0.742 1
1 260 . 10 1 1 A 29 29 PRO HA H 29 4.294 4.645 -0.351 1
1 261 . 10 1 1 A 29 29 PRO CB C 29 31.874 31.645 0.229 1
1 267 . 10 1 1 A 29 29 PRO C C 29 175.250 175.762 -0.512 1
1 271 . 10 1 1 A 30 30 ALA N N 30 128.803 126.844 1.959 1
1 272 . 10 1 1 A 30 30 ALA H H 30 8.887 8.293 0.594 1
1 273 . 10 1 1 A 30 30 ALA CA C 30 50.558 50.564 -0.006 1
1 274 . 10 1 1 A 30 30 ALA HA H 30 4.539 4.898 -0.359 1
1 275 . 10 1 1 A 30 30 ALA CB C 30 21.602 21.094 0.508 1
1 279 . 10 1 1 A 30 30 ALA C C 30 175.510 175.607 -0.097 1
1 280 . 10 1 1 A 31 31 SER N N 31 112.512 117.381 -4.869 1
1 281 . 10 1 1 A 31 31 SER H H 31 8.214 8.937 -0.723 1
1 282 . 10 1 1 A 31 31 SER CA C 31 56.701 56.093 0.608 1
1 283 . 10 1 1 A 31 31 SER HA H 31 5.832 5.985 -0.153 1
1 284 . 10 1 1 A 31 31 SER CB C 31 66.721 66.536 0.185 1
1 286 . 10 1 1 A 31 31 SER C C 31 173.379 172.909 0.470 1
1 288 . 10 1 1 A 32 32 PHE N N 32 119.232 119.079 0.153 1
1 289 . 10 1 1 A 32 32 PHE H H 32 8.798 8.804 -0.006 1
1 290 . 10 1 1 A 32 32 PHE CA C 32 56.218 55.533 0.685 1
1 291 . 10 1 1 A 32 32 PHE HA H 32 4.925 5.531 -0.606 1
1 292 . 10 1 1 A 32 32 PHE CB C 32 39.752 41.861 -2.109 1
1 304 . 10 1 1 A 32 32 PHE C C 32 172.709 172.466 0.243 1
1 306 . 10 1 1 A 33 33 ALA N N 33 122.788 121.966 0.822 1
1 307 . 10 1 1 A 33 33 ALA H H 33 8.827 8.397 0.430 1
1 308 . 10 1 1 A 33 33 ALA CA C 33 50.616 49.952 0.664 1
1 309 . 10 1 1 A 33 33 ALA HA H 33 5.654 5.414 0.240 1
1 310 . 10 1 1 A 33 33 ALA CB C 33 22.616 22.819 -0.203 1
1 314 . 10 1 1 A 33 33 ALA C C 33 175.770 176.404 -0.634 1
1 315 . 10 1 1 A 34 34 ILE N N 34 118.542 121.311 -2.769 1
1 316 . 10 1 1 A 34 34 ILE H H 34 9.194 8.754 0.440 1
1 317 . 10 1 1 A 34 34 ILE CA C 34 59.486 60.562 -1.076 1
1 318 . 10 1 1 A 34 34 ILE HA H 34 4.978 4.744 0.234 1
1 319 . 10 1 1 A 34 34 ILE CB C 34 42.577 39.879 2.698 1
1 331 . 10 1 1 A 34 34 ILE C C 34 174.924 175.202 -0.278 1
1 333 . 10 1 1 A 35 35 ARG N N 35 126.774 129.167 -2.393 1
1 334 . 10 1 1 A 35 35 ARG H H 35 9.038 8.599 0.439 1
1 335 . 10 1 1 A 35 35 ARG CA C 35 54.096 56.649 -2.553 1
1 336 . 10 1 1 A 35 35 ARG HA H 35 5.283 4.475 0.808 1
1 337 . 10 1 1 A 35 35 ARG CB C 35 32.039 31.053 0.986 1
1 343 . 10 1 1 A 35 35 ARG C C 35 175.959 175.048 0.911 1
1 347 . 10 1 1 A 36 36 LEU N N 36 123.887 126.890 -3.003 1
1 348 . 10 1 1 A 36 36 LEU H H 36 8.648 8.390 0.258 1
1 349 . 10 1 1 A 36 36 LEU CA C 36 56.318 53.336 2.982 1
1 350 . 10 1 1 A 36 36 LEU HA H 36 4.037 4.827 -0.790 1
1 351 . 10 1 1 A 36 36 LEU CB C 36 41.028 43.773 -2.745 1
1 363 . 10 1 1 A 36 36 LEU C C 36 177.292 176.443 0.849 1
1 365 . 10 1 1 A 37 37 ASN N N 37 115.087 122.803 -7.716 1
1 366 . 10 1 1 A 37 37 ASN H H 37 8.594 8.892 -0.298 1
1 367 . 10 1 1 A 37 37 ASN CA C 37 54.182 53.129 1.053 1
1 368 . 10 1 1 A 37 37 ASN HA H 37 4.407 4.818 -0.411 1
1 369 . 10 1 1 A 37 37 ASN CB C 37 37.687 38.713 -1.026 1
1 374 . 10 1 1 A 37 37 ASN C C 37 176.277 175.715 0.562 1
1 376 . 10 1 1 A 38 38 GLY N N 38 106.329 107.889 -1.560 1
1 377 . 10 1 1 A 38 38 GLY H H 38 9.506 8.012 1.494 1
1 378 . 10 1 1 A 38 38 GLY CA C 38 45.290 45.808 -0.518 1
1 379 . 10 1 1 A 38 38 GLY HA3 H 38 4.156 3.963 0.193 1
1 380 . 10 1 1 A 38 38 GLY C C 38 174.483 174.544 -0.061 1
1 381 . 10 1 1 A 38 38 GLY HA2 H 38 3.617 3.949 -0.332 1
1 382 . 10 1 1 A 39 39 ALA N N 39 124.015 123.595 0.420 1
1 383 . 10 1 1 A 39 39 ALA H H 39 7.483 8.040 -0.557 1
1 384 . 10 1 1 A 39 39 ALA CA C 39 52.396 51.790 0.606 1
1 385 . 10 1 1 A 39 39 ALA HA H 39 4.280 4.397 -0.117 1
1 386 . 10 1 1 A 39 39 ALA CB C 39 20.424 19.785 0.639 1
1 390 . 10 1 1 A 39 39 ALA C C 39 176.275 177.513 -1.238 1
1 391 . 10 1 1 A 40 40 LYS N N 40 119.513 120.703 -1.190 1
1 392 . 10 1 1 A 40 40 LYS H H 40 8.685 8.738 -0.053 1
1 393 . 10 1 1 A 40 40 LYS CA C 40 54.696 55.508 -0.812 1
1 394 . 10 1 1 A 40 40 LYS HA H 40 4.811 4.959 -0.148 1
1 395 . 10 1 1 A 40 40 LYS CB C 40 34.324 33.837 0.487 1
1 403 . 10 1 1 A 40 40 LYS C C 40 176.004 175.847 0.157 1
1 408 . 10 1 1 A 41 41 GLY N N 41 111.941 107.617 4.324 1
1 409 . 10 1 1 A 41 41 GLY H H 41 8.398 8.406 -0.008 1
1 410 . 10 1 1 A 41 41 GLY CA C 41 45.887 46.005 -0.118 1
1 411 . 10 1 1 A 41 41 GLY HA3 H 41 3.722 4.122 -0.400 1
1 412 . 10 1 1 A 41 41 GLY C C 41 171.021 171.410 -0.389 1
1 413 . 10 1 1 A 41 41 GLY HA2 H 41 3.722 3.875 -0.153 1
1 414 . 10 1 1 A 42 42 LYS N N 42 119.600 121.154 -1.554 1
1 415 . 10 1 1 A 42 42 LYS H H 42 7.293 7.451 -0.158 1
1 416 . 10 1 1 A 42 42 LYS CA C 42 54.522 54.193 0.329 1
1 417 . 10 1 1 A 42 42 LYS HA H 42 4.467 4.756 -0.289 1
1 418 . 10 1 1 A 42 42 LYS CB C 42 34.979 35.976 -0.997 1
1 426 . 10 1 1 A 42 42 LYS C C 42 175.675 174.520 1.155 1
1 431 . 10 1 1 A 43 43 ILE N N 43 127.421 123.934 3.487 1
1 432 . 10 1 1 A 43 43 ILE H H 43 8.706 8.763 -0.057 1
1 433 . 10 1 1 A 43 43 ILE CA C 43 60.336 59.728 0.608 1
1 434 . 10 1 1 A 43 43 ILE HA H 43 4.695 4.821 -0.126 1
1 435 . 10 1 1 A 43 43 ILE CB C 43 39.322 38.886 0.436 1
1 447 . 10 1 1 A 43 43 ILE C C 43 174.542 174.385 0.157 1
1 449 . 10 1 1 A 44 44 ASP N N 44 127.995 127.588 0.407 1
1 450 . 10 1 1 A 44 44 ASP H H 44 8.861 8.617 0.244 1
1 451 . 10 1 1 A 44 44 ASP CA C 44 53.245 52.734 0.511 1
1 452 . 10 1 1 A 44 44 ASP HA H 44 4.817 5.467 -0.650 1
1 453 . 10 1 1 A 44 44 ASP CB C 44 44.577 44.505 0.072 1
1 455 . 10 1 1 A 44 44 ASP C C 44 173.768 174.291 -0.523 1
1 457 . 10 1 1 A 45 45 ALA N N 45 127.601 126.718 0.883 1
1 458 . 10 1 1 A 45 45 ALA H H 45 8.819 8.892 -0.073 1
1 459 . 10 1 1 A 45 45 ALA CA C 45 50.180 51.261 -1.081 1
1 460 . 10 1 1 A 45 45 ALA HA H 45 5.859 5.211 0.648 1
1 461 . 10 1 1 A 45 45 ALA CB C 45 21.379 21.722 -0.343 1
1 465 . 10 1 1 A 45 45 ALA C C 45 175.393 175.968 -0.575 1
1 466 . 10 1 1 A 46 46 LYS N N 46 122.427 122.544 -0.117 1
1 467 . 10 1 1 A 46 46 LYS H H 46 8.723 8.698 0.025 1
1 468 . 10 1 1 A 46 46 LYS CA C 46 55.090 54.786 0.304 1
1 469 . 10 1 1 A 46 46 LYS HA H 46 5.057 5.020 0.037 1
1 470 . 10 1 1 A 46 46 LYS CB C 46 37.534 36.752 0.782 1
1 478 . 10 1 1 A 46 46 LYS C C 46 173.473 174.555 -1.082 1
1 483 . 10 1 1 A 47 47 VAL N N 47 120.177 123.184 -3.007 1
1 484 . 10 1 1 A 47 47 VAL H H 47 8.989 8.602 0.387 1
1 485 . 10 1 1 A 47 47 VAL CA C 47 59.152 60.451 -1.299 1
1 486 . 10 1 1 A 47 47 VAL HA H 47 4.875 4.633 0.242 1
1 487 . 10 1 1 A 47 47 VAL CB C 47 34.502 33.847 0.655 1
1 497 . 10 1 1 A 47 47 VAL C C 47 173.786 174.474 -0.688 1
1 498 . 10 1 1 A 48 48 HIS N N 48 127.949 126.914 1.035 1
1 499 . 10 1 1 A 48 48 HIS H H 48 9.661 9.314 0.347 1
1 500 . 10 1 1 A 48 48 HIS CA C 48 53.917 54.305 -0.388 1
1 501 . 10 1 1 A 48 48 HIS HA H 48 5.238 5.311 -0.073 1
1 502 . 10 1 1 A 48 48 HIS CB C 48 30.549 33.903 -3.354 1
1 508 . 10 1 1 A 48 48 HIS C C 48 175.556 174.169 1.387 1
1 510 . 10 1 1 A 49 49 SER N N 49 121.639 114.865 6.774 1
1 511 . 10 1 1 A 49 49 SER H H 49 9.114 8.731 0.383 1
1 512 . 10 1 1 A 49 49 SER CA C 49 56.693 55.625 1.068 1
1 513 . 10 1 1 A 49 49 SER HA H 49 4.391 4.742 -0.351 1
1 514 . 10 1 1 A 49 49 SER CB C 49 63.160 66.283 -3.123 1
1 516 . 10 1 1 A 49 49 SER C C 49 174.390 174.433 -0.043 1
1 518 . 10 1 1 A 50 50 PRO CA C 50 65.732 64.264 1.468 1
1 519 . 10 1 1 A 50 50 PRO HA H 50 4.247 4.493 -0.246 1
1 520 . 10 1 1 A 50 50 PRO CB C 50 31.516 31.718 -0.202 1
1 526 . 10 1 1 A 50 50 PRO C C 50 177.969 177.302 0.667 1
1 530 . 10 1 1 A 51 51 SER N N 51 110.808 110.200 0.608 1
1 531 . 10 1 1 A 51 51 SER H H 51 8.539 7.714 0.825 1
1 532 . 10 1 1 A 51 51 SER CA C 51 59.311 57.819 1.492 1
1 533 . 10 1 1 A 51 51 SER HA H 51 4.331 4.492 -0.161 1
1 534 . 10 1 1 A 51 51 SER CB C 51 62.767 63.540 -0.773 1
1 536 . 10 1 1 A 51 51 SER C C 51 175.339 175.170 0.169 1
1 538 . 10 1 1 A 52 52 GLY N N 52 110.692 110.346 0.346 1
1 539 . 10 1 1 A 52 52 GLY H H 52 8.181 7.665 0.516 1
1 540 . 10 1 1 A 52 52 GLY CA C 52 44.862 46.507 -1.645 1
1 541 . 10 1 1 A 52 52 GLY HA3 H 52 4.444 3.987 0.457 1
1 542 . 10 1 1 A 52 52 GLY C C 52 174.389 174.540 -0.151 1
1 543 . 10 1 1 A 52 52 GLY HA2 H 52 3.634 3.975 -0.341 1
1 544 . 10 1 1 A 53 53 ALA N N 53 124.417 122.775 1.642 1
1 545 . 10 1 1 A 53 53 ALA H H 53 7.419 7.799 -0.380 1
1 546 . 10 1 1 A 53 53 ALA CA C 53 52.538 50.766 1.772 1
1 547 . 10 1 1 A 53 53 ALA HA H 53 4.373 4.626 -0.253 1
1 548 . 10 1 1 A 53 53 ALA CB C 53 19.207 21.413 -2.206 1
1 552 . 10 1 1 A 53 53 ALA C C 53 176.519 176.246 0.273 1
1 553 . 10 1 1 A 54 54 VAL N N 54 121.228 121.725 -0.497 1
1 554 . 10 1 1 A 54 54 VAL H H 54 8.429 8.799 -0.370 1
1 555 . 10 1 1 A 54 54 VAL CA C 54 60.672 61.514 -0.842 1
1 556 . 10 1 1 A 54 54 VAL HA H 54 4.980 4.636 0.344 1
1 557 . 10 1 1 A 54 54 VAL CB C 54 33.933 34.455 -0.522 1
1 567 . 10 1 1 A 54 54 VAL C C 54 175.443 174.728 0.715 1
1 568 . 10 1 1 A 55 55 GLU N N 55 126.290 127.209 -0.919 1
1 569 . 10 1 1 A 55 55 GLU H H 55 8.640 8.691 -0.051 1
1 570 . 10 1 1 A 55 55 GLU CA C 55 54.306 54.571 -0.265 1
1 571 . 10 1 1 A 55 55 GLU HA H 55 4.754 4.928 -0.174 1
1 572 . 10 1 1 A 55 55 GLU CB C 55 33.612 31.975 1.637 1
1 576 . 10 1 1 A 55 55 GLU C C 55 175.073 175.025 0.048 1
1 579 . 10 1 1 A 56 56 GLU N N 56 123.200 122.233 0.967 1
1 580 . 10 1 1 A 56 56 GLU H H 56 8.878 8.724 0.154 1
1 581 . 10 1 1 A 56 56 GLU CA C 56 56.966 55.219 1.747 1
1 582 . 10 1 1 A 56 56 GLU HA H 56 4.479 4.983 -0.504 1
1 583 . 10 1 1 A 56 56 GLU CB C 56 30.258 31.996 -1.738 1
1 587 . 10 1 1 A 56 56 GLU C C 56 177.592 175.159 2.433 1
1 590 . 10 1 1 A 57 57 CYS N N 57 121.919 125.903 -3.984 1
1 591 . 10 1 1 A 57 57 CYS H H 57 8.496 8.226 0.270 1
1 592 . 10 1 1 A 57 57 CYS CA C 57 59.030 57.853 1.177 1
1 593 . 10 1 1 A 57 57 CYS HA H 57 4.690 5.103 -0.413 1
1 594 . 10 1 1 A 57 57 CYS CB C 57 29.620 28.324 1.296 1
1 596 . 10 1 1 A 57 57 CYS C C 57 173.871 174.207 -0.336 1
1 598 . 10 1 1 A 58 58 HIS N N 58 123.415 124.884 -1.469 1
1 599 . 10 1 1 A 58 58 HIS H H 58 8.961 8.682 0.279 1
1 600 . 10 1 1 A 58 58 HIS CA C 58 56.751 55.759 0.992 1
1 601 . 10 1 1 A 58 58 HIS HA H 58 4.725 4.685 0.040 1
1 602 . 10 1 1 A 58 58 HIS CB C 58 31.813 29.701 2.112 1
1 608 . 10 1 1 A 58 58 HIS C C 58 174.903 173.041 1.862 1
1 610 . 10 1 1 A 59 59 VAL N N 59 128.900 129.432 -0.532 1
1 611 . 10 1 1 A 59 59 VAL H H 59 8.521 8.944 -0.423 1
1 612 . 10 1 1 A 59 59 VAL CA C 59 61.131 61.797 -0.666 1
1 613 . 10 1 1 A 59 59 VAL HA H 59 5.142 4.343 0.799 1
1 614 . 10 1 1 A 59 59 VAL CB C 59 33.825 31.677 2.148 1
1 624 . 10 1 1 A 59 59 VAL C C 59 175.539 174.925 0.614 1
1 625 . 10 1 1 A 60 60 SER N N 60 120.428 121.622 -1.194 1
1 626 . 10 1 1 A 60 60 SER H H 60 8.995 8.630 0.365 1
1 627 . 10 1 1 A 60 60 SER CA C 60 56.782 56.367 0.415 1
1 628 . 10 1 1 A 60 60 SER HA H 60 4.823 5.286 -0.463 1
1 629 . 10 1 1 A 60 60 SER CB C 60 65.880 64.558 1.322 1
1 631 . 10 1 1 A 60 60 SER C C 60 172.353 172.662 -0.309 1
1 633 . 10 1 1 A 61 61 GLU N N 61 125.163 124.511 0.652 1
1 634 . 10 1 1 A 61 61 GLU H H 61 8.894 8.632 0.262 1
1 635 . 10 1 1 A 61 61 GLU CA C 61 57.081 54.564 2.517 1
1 636 . 10 1 1 A 61 61 GLU HA H 61 3.545 3.936 -0.391 1
1 637 . 10 1 1 A 61 61 GLU CB C 61 30.675 29.171 1.504 1
1 641 . 10 1 1 A 61 61 GLU C C 61 176.353 175.986 0.367 1
1 644 . 10 1 1 A 62 62 LEU N N 62 129.563 128.240 1.323 1
1 645 . 10 1 1 A 62 62 LEU H H 62 8.800 8.472 0.328 1
1 646 . 10 1 1 A 62 62 LEU CA C 62 56.462 56.070 0.392 1
1 647 . 10 1 1 A 62 62 LEU HA H 62 4.341 4.286 0.055 1
1 648 . 10 1 1 A 62 62 LEU CB C 62 44.020 42.607 1.413 1
1 660 . 10 1 1 A 62 62 LEU C C 62 176.662 177.072 -0.410 1
1 662 . 10 1 1 A 63 63 GLU N N 63 117.143 118.046 -0.903 1
1 663 . 10 1 1 A 63 63 GLU H H 63 8.292 7.423 0.869 1
1 664 . 10 1 1 A 63 63 GLU CA C 63 53.777 52.964 0.813 1
1 665 . 10 1 1 A 63 63 GLU HA H 63 4.655 4.664 -0.009 1
1 666 . 10 1 1 A 63 63 GLU CB C 63 29.768 31.401 -1.633 1
1 670 . 10 1 1 A 63 63 GLU C C 63 172.058 176.196 -4.138 1
1 673 . 10 1 1 A 64 64 PRO CA C 64 65.767 64.245 1.522 1
1 674 . 10 1 1 A 64 64 PRO HA H 64 4.227 4.543 -0.316 1
1 675 . 10 1 1 A 64 64 PRO CB C 64 31.005 31.788 -0.783 1
1 681 . 10 1 1 A 64 64 PRO C C 64 177.068 176.969 0.099 1
1 685 . 10 1 1 A 65 65 ASP N N 65 118.425 116.345 2.080 1
1 686 . 10 1 1 A 65 65 ASP H H 65 8.965 8.565 0.400 1
1 687 . 10 1 1 A 65 65 ASP CA C 65 55.827 53.851 1.976 1
1 688 . 10 1 1 A 65 65 ASP HA H 65 4.589 4.868 -0.279 1
1 689 . 10 1 1 A 65 65 ASP CB C 65 43.713 42.195 1.518 1
1 691 . 10 1 1 A 65 65 ASP C C 65 174.921 175.498 -0.577 1
1 693 . 10 1 1 A 66 66 LYS N N 66 120.940 119.802 1.138 1
1 694 . 10 1 1 A 66 66 LYS H H 66 8.476 7.481 0.995 1
1 695 . 10 1 1 A 66 66 LYS CA C 66 55.938 55.703 0.235 1
1 696 . 10 1 1 A 66 66 LYS HA H 66 5.476 5.094 0.382 1
1 697 . 10 1 1 A 66 66 LYS CB C 66 36.812 35.924 0.888 1
1 705 . 10 1 1 A 66 66 LYS C C 66 173.912 174.302 -0.390 1
1 710 . 10 1 1 A 67 67 TYR N N 67 126.047 123.834 2.213 1
1 711 . 10 1 1 A 67 67 TYR H H 67 9.291 9.073 0.218 1
1 712 . 10 1 1 A 67 67 TYR CA C 67 56.589 56.679 -0.090 1
1 713 . 10 1 1 A 67 67 TYR HA H 67 5.136 5.277 -0.141 1
1 714 . 10 1 1 A 67 67 TYR CB C 67 41.933 43.250 -1.317 1
1 724 . 10 1 1 A 67 67 TYR C C 67 174.424 174.269 0.155 1
1 726 . 10 1 1 A 68 68 ALA N N 68 123.234 123.006 0.228 1
1 727 . 10 1 1 A 68 68 ALA H H 68 9.393 8.609 0.784 1
1 728 . 10 1 1 A 68 68 ALA CA C 68 50.620 50.667 -0.047 1
1 729 . 10 1 1 A 68 68 ALA HA H 68 5.002 5.132 -0.130 1
1 730 . 10 1 1 A 68 68 ALA CB C 68 21.211 21.885 -0.674 1
1 734 . 10 1 1 A 68 68 ALA C C 68 176.258 175.697 0.561 1
1 735 . 10 1 1 A 69 69 VAL N N 69 121.910 123.572 -1.662 1
1 736 . 10 1 1 A 69 69 VAL H H 69 8.412 8.651 -0.239 1
1 737 . 10 1 1 A 69 69 VAL CA C 69 61.147 61.070 0.077 1
1 738 . 10 1 1 A 69 69 VAL HA H 69 4.587 4.615 -0.028 1
1 739 . 10 1 1 A 69 69 VAL CB C 69 32.409 32.595 -0.186 1
1 749 . 10 1 1 A 69 69 VAL C C 69 174.300 173.837 0.463 1
1 750 . 10 1 1 A 70 70 ARG N N 70 125.218 129.771 -4.553 1
1 751 . 10 1 1 A 70 70 ARG H H 70 8.926 8.967 -0.041 1
1 752 . 10 1 1 A 70 70 ARG CA C 70 54.404 54.639 -0.235 1
1 753 . 10 1 1 A 70 70 ARG HA H 70 5.665 5.121 0.544 1
1 754 . 10 1 1 A 70 70 ARG CB C 70 34.966 32.082 2.884 1
1 760 . 10 1 1 A 70 70 ARG C C 70 175.124 175.149 -0.025 1
1 764 . 10 1 1 A 71 71 PHE N N 71 120.657 120.428 0.229 1
1 765 . 10 1 1 A 71 71 PHE H H 71 8.780 8.928 -0.148 1
1 766 . 10 1 1 A 71 71 PHE CA C 71 55.969 56.347 -0.378 1
1 767 . 10 1 1 A 71 71 PHE HA H 71 5.082 5.140 -0.058 1
1 768 . 10 1 1 A 71 71 PHE CB C 71 41.335 41.402 -0.067 1
1 780 . 10 1 1 A 71 71 PHE C C 71 171.920 172.178 -0.258 1
1 782 . 10 1 1 A 72 72 ILE N N 72 120.347 122.068 -1.721 1
1 783 . 10 1 1 A 72 72 ILE H H 72 8.714 8.981 -0.267 1
1 784 . 10 1 1 A 72 72 ILE CA C 72 57.669 58.115 -0.446 1
1 785 . 10 1 1 A 72 72 ILE HA H 72 4.469 4.585 -0.116 1
1 786 . 10 1 1 A 72 72 ILE CB C 72 39.824 38.562 1.262 1
1 798 . 10 1 1 A 72 72 ILE C C 72 173.612 175.309 -1.697 1
1 800 . 10 1 1 A 73 73 PRO CA C 73 62.050 62.428 -0.378 1
1 801 . 10 1 1 A 73 73 PRO HA H 73 4.493 5.017 -0.524 1
1 802 . 10 1 1 A 73 73 PRO CB C 73 33.680 29.223 4.457 1
1 808 . 10 1 1 A 73 73 PRO C C 73 176.990 175.549 1.441 1
1 812 . 10 1 1 A 74 74 HIS N N 74 119.655 117.626 2.029 1
1 813 . 10 1 1 A 74 74 HIS H H 74 10.240 8.744 1.496 1
1 814 . 10 1 1 A 74 74 HIS CA C 74 54.660 53.773 0.887 1
1 815 . 10 1 1 A 74 74 HIS HA H 74 5.035 5.668 -0.633 1
1 816 . 10 1 1 A 74 74 HIS CB C 74 30.530 31.641 -1.111 1
1 822 . 10 1 1 A 74 74 HIS C C 74 173.624 173.728 -0.104 1
1 824 . 10 1 1 A 75 75 GLU N N 75 118.178 123.774 -5.596 1
1 825 . 10 1 1 A 75 75 GLU H H 75 7.772 8.776 -1.004 1
1 826 . 10 1 1 A 75 75 GLU CA C 75 54.166 55.069 -0.903 1
1 827 . 10 1 1 A 75 75 GLU HA H 75 4.654 4.511 0.143 1
1 828 . 10 1 1 A 75 75 GLU CB C 75 33.422 33.250 0.172 1
1 832 . 10 1 1 A 75 75 GLU C C 75 173.599 174.809 -1.210 1
1 835 . 10 1 1 A 76 76 ASN N N 76 116.760 120.631 -3.871 1
1 836 . 10 1 1 A 76 76 ASN H H 76 8.530 8.557 -0.027 1
1 837 . 10 1 1 A 76 76 ASN CA C 76 53.486 52.029 1.457 1
1 838 . 10 1 1 A 76 76 ASN HA H 76 4.606 5.015 -0.409 1
1 839 . 10 1 1 A 76 76 ASN CB C 76 40.184 38.496 1.688 1
1 844 . 10 1 1 A 76 76 ASN C C 76 175.598 175.012 0.586 1
1 846 . 10 1 1 A 77 77 GLY N N 77 106.497 108.398 -1.901 1
1 847 . 10 1 1 A 77 77 GLY H H 77 9.152 7.499 1.653 1
1 848 . 10 1 1 A 77 77 GLY CA C 77 43.752 46.219 -2.467 1
1 849 . 10 1 1 A 77 77 GLY HA3 H 77 4.797 4.160 0.637 1
1 850 . 10 1 1 A 77 77 GLY C C 77 176.329 171.932 4.397 1
1 851 . 10 1 1 A 77 77 GLY HA2 H 77 3.897 4.130 -0.233 1
1 852 . 10 1 1 A 78 78 VAL N N 78 124.582 122.448 2.134 1
1 853 . 10 1 1 A 78 78 VAL H H 78 9.334 8.330 1.004 1
1 854 . 10 1 1 A 78 78 VAL CA C 78 64.642 61.245 3.397 1
1 855 . 10 1 1 A 78 78 VAL HA H 78 4.399 4.916 -0.517 1
1 856 . 10 1 1 A 78 78 VAL CB C 78 31.464 33.854 -2.390 1
1 866 . 10 1 1 A 78 78 VAL C C 78 176.269 175.424 0.845 1
1 867 . 10 1 1 A 79 79 HIS N N 79 129.160 126.235 2.925 1
1 868 . 10 1 1 A 79 79 HIS H H 79 9.854 9.392 0.462 1
1 869 . 10 1 1 A 79 79 HIS CA C 79 55.150 55.709 -0.559 1
1 870 . 10 1 1 A 79 79 HIS HA H 79 4.921 5.573 -0.652 1
1 871 . 10 1 1 A 79 79 HIS CB C 79 30.772 32.158 -1.386 1
1 877 . 10 1 1 A 79 79 HIS C C 79 174.062 175.116 -1.054 1
1 879 . 10 1 1 A 80 80 THR N N 80 116.006 114.610 1.396 1
1 880 . 10 1 1 A 80 80 THR H H 80 8.526 8.733 -0.207 1
1 881 . 10 1 1 A 80 80 THR CA C 80 60.983 61.618 -0.635 1
1 882 . 10 1 1 A 80 80 THR HA H 80 5.380 5.311 0.069 1
1 883 . 10 1 1 A 80 80 THR CB C 80 70.590 71.795 -1.205 1
1 889 . 10 1 1 A 80 80 THR C C 80 173.671 173.007 0.664 1
1 890 . 10 1 1 A 81 81 ILE N N 81 127.414 128.837 -1.423 1
1 891 . 10 1 1 A 81 81 ILE H H 81 9.745 8.841 0.904 1
1 892 . 10 1 1 A 81 81 ILE CA C 81 60.037 60.294 -0.257 1
1 893 . 10 1 1 A 81 81 ILE HA H 81 4.867 4.669 0.198 1
1 894 . 10 1 1 A 81 81 ILE CB C 81 39.883 38.588 1.295 1
1 906 . 10 1 1 A 81 81 ILE C C 81 175.279 174.198 1.081 1
1 908 . 10 1 1 A 82 82 ASP N N 82 128.375 128.628 -0.253 1
1 909 . 10 1 1 A 82 82 ASP H H 82 9.157 9.358 -0.201 1
1 910 . 10 1 1 A 82 82 ASP CA C 82 53.084 53.123 -0.039 1
1 911 . 10 1 1 A 82 82 ASP HA H 82 5.060 4.974 0.086 1
1 912 . 10 1 1 A 82 82 ASP CB C 82 42.929 42.197 0.732 1
1 914 . 10 1 1 A 82 82 ASP C C 82 175.923 174.932 0.991 1
1 916 . 10 1 1 A 83 83 VAL N N 83 125.651 126.061 -0.410 1
1 917 . 10 1 1 A 83 83 VAL H H 83 9.897 8.543 1.354 1
1 918 . 10 1 1 A 83 83 VAL CA C 83 62.407 61.773 0.634 1
1 919 . 10 1 1 A 83 83 VAL HA H 83 4.553 4.825 -0.272 1
1 920 . 10 1 1 A 83 83 VAL CB C 83 33.233 32.835 0.398 1
1 930 . 10 1 1 A 83 83 VAL C C 83 173.327 175.141 -1.814 1
1 931 . 10 1 1 A 84 84 LYS N N 84 124.405 126.993 -2.588 1
1 932 . 10 1 1 A 84 84 LYS H H 84 8.874 8.761 0.113 1
1 933 . 10 1 1 A 84 84 LYS CA C 84 53.901 54.475 -0.574 1
1 934 . 10 1 1 A 84 84 LYS HA H 84 5.065 4.953 0.112 1
1 935 . 10 1 1 A 84 84 LYS CB C 84 36.851 35.435 1.416 1
1 943 . 10 1 1 A 84 84 LYS C C 84 174.760 174.829 -0.069 1
1 948 . 10 1 1 A 85 85 PHE N N 85 120.871 124.299 -3.428 1
1 949 . 10 1 1 A 85 85 PHE H H 85 9.167 9.060 0.107 1
1 950 . 10 1 1 A 85 85 PHE CA C 85 56.014 57.519 -1.505 1
1 951 . 10 1 1 A 85 85 PHE HA H 85 5.157 5.149 0.008 1
1 952 . 10 1 1 A 85 85 PHE CB C 85 42.916 41.385 1.531 1
1 964 . 10 1 1 A 85 85 PHE C C 85 175.473 174.855 0.618 1
1 966 . 10 1 1 A 86 86 ASN N N 86 126.732 125.201 1.531 1
1 967 . 10 1 1 A 86 86 ASN H H 86 8.714 9.050 -0.336 1
1 968 . 10 1 1 A 86 86 ASN CA C 86 53.835 53.954 -0.119 1
1 969 . 10 1 1 A 86 86 ASN HA H 86 4.216 4.266 -0.050 1
1 970 . 10 1 1 A 86 86 ASN CB C 86 36.789 37.231 -0.442 1
1 975 . 10 1 1 A 86 86 ASN C C 86 175.700 174.682 1.018 1
1 977 . 10 1 1 A 87 87 GLY N N 87 102.449 105.080 -2.631 1
1 978 . 10 1 1 A 87 87 GLY H H 87 8.986 8.637 0.349 1
1 979 . 10 1 1 A 87 87 GLY CA C 87 45.490 46.545 -1.055 1
1 980 . 10 1 1 A 87 87 GLY HA3 H 87 4.223 3.932 0.291 1
1 981 . 10 1 1 A 87 87 GLY C C 87 174.149 173.636 0.513 1
1 982 . 10 1 1 A 87 87 GLY HA2 H 87 3.555 3.923 -0.368 1
1 983 . 10 1 1 A 88 88 SER N N 88 116.260 114.073 2.187 1
1 984 . 10 1 1 A 88 88 SER H H 88 7.670 7.697 -0.027 1
1 985 . 10 1 1 A 88 88 SER CA C 88 57.194 57.605 -0.411 1
1 986 . 10 1 1 A 88 88 SER HA H 88 4.935 4.831 0.104 1
1 987 . 10 1 1 A 88 88 SER CB C 88 65.421 66.111 -0.690 1
1 989 . 10 1 1 A 88 88 SER C C 88 173.491 173.145 0.346 1
1 991 . 10 1 1 A 89 89 HIS N N 89 124.290 126.107 -1.817 1
1 992 . 10 1 1 A 89 89 HIS H H 89 8.847 9.117 -0.270 1
1 993 . 10 1 1 A 89 89 HIS CA C 89 59.048 56.360 2.688 1
1 994 . 10 1 1 A 89 89 HIS HA H 89 4.543 4.841 -0.298 1
1 995 . 10 1 1 A 89 89 HIS CB C 89 32.463 29.703 2.760 1
1 1001 . 10 1 1 A 89 89 HIS C C 89 177.441 175.425 2.016 1
1 1003 . 10 1 1 A 90 90 VAL N N 90 116.253 122.941 -6.688 1
1 1004 . 10 1 1 A 90 90 VAL H H 90 8.283 8.453 -0.170 1
1 1005 . 10 1 1 A 90 90 VAL CA C 90 60.279 62.482 -2.203 1
1 1006 . 10 1 1 A 90 90 VAL HA H 90 4.291 4.016 0.275 1
1 1007 . 10 1 1 A 90 90 VAL CB C 90 31.601 33.260 -1.659 1
1 1017 . 10 1 1 A 90 90 VAL C C 90 176.074 175.713 0.361 1
1 1018 . 10 1 1 A 91 91 VAL N N 91 123.139 119.703 3.436 1
1 1019 . 10 1 1 A 91 91 VAL H H 91 8.910 8.481 0.429 1
1 1020 . 10 1 1 A 91 91 VAL CA C 91 66.030 62.840 3.190 1
1 1021 . 10 1 1 A 91 91 VAL HA H 91 3.632 3.958 -0.326 1
1 1022 . 10 1 1 A 91 91 VAL CB C 91 30.897 31.932 -1.035 1
1 1032 . 10 1 1 A 91 91 VAL C C 91 177.012 176.150 0.862 1
1 1033 . 10 1 1 A 92 92 GLY N N 92 116.727 113.673 3.054 1
1 1034 . 10 1 1 A 92 92 GLY H H 92 8.396 8.798 -0.402 1
1 1035 . 10 1 1 A 92 92 GLY CA C 92 44.466 45.890 -1.424 1
1 1036 . 10 1 1 A 92 92 GLY HA3 H 92 4.180 3.657 0.523 1
1 1037 . 10 1 1 A 92 92 GLY C C 92 172.077 172.645 -0.568 1
1 1038 . 10 1 1 A 92 92 GLY HA2 H 92 3.221 3.651 -0.430 1
1 1039 . 10 1 1 A 93 93 SER N N 93 112.885 114.853 -1.968 1
1 1040 . 10 1 1 A 93 93 SER H H 93 7.484 7.428 0.056 1
1 1041 . 10 1 1 A 93 93 SER CA C 93 54.547 54.396 0.151 1
1 1042 . 10 1 1 A 93 93 SER HA H 93 4.065 4.260 -0.195 1
1 1043 . 10 1 1 A 93 93 SER CB C 93 62.575 65.292 -2.717 1
1 1045 . 10 1 1 A 93 93 SER C C 93 174.608 172.043 2.565 1
1 1047 . 10 1 1 A 94 94 PRO CA C 94 62.477 62.317 0.160 1
1 1048 . 10 1 1 A 94 94 PRO HA H 94 5.491 4.549 0.942 1
1 1049 . 10 1 1 A 94 94 PRO CB C 94 34.106 32.123 1.983 1
1 1055 . 10 1 1 A 94 94 PRO C C 94 176.779 175.742 1.037 1
1 1059 . 10 1 1 A 95 95 PHE N N 95 123.133 120.230 2.903 1
1 1060 . 10 1 1 A 95 95 PHE H H 95 9.200 8.293 0.907 1
1 1061 . 10 1 1 A 95 95 PHE CA C 95 57.291 57.555 -0.264 1
1 1062 . 10 1 1 A 95 95 PHE HA H 95 4.581 4.901 -0.320 1
1 1063 . 10 1 1 A 95 95 PHE CB C 95 41.165 40.938 0.227 1
1 1075 . 10 1 1 A 95 95 PHE C C 95 175.687 175.076 0.611 1
1 1077 . 10 1 1 A 96 96 LYS N N 96 122.134 118.518 3.616 1
1 1078 . 10 1 1 A 96 96 LYS H H 96 8.790 9.128 -0.338 1
1 1079 . 10 1 1 A 96 96 LYS CA C 96 55.249 54.557 0.692 1
1 1080 . 10 1 1 A 96 96 LYS HA H 96 5.276 5.284 -0.008 1
1 1081 . 10 1 1 A 96 96 LYS CB C 96 33.836 35.704 -1.868 1
1 1089 . 10 1 1 A 96 96 LYS C C 96 176.515 175.116 1.399 1
1 1094 . 10 1 1 A 97 97 VAL N N 97 117.706 119.357 -1.651 1
1 1095 . 10 1 1 A 97 97 VAL H H 97 8.873 8.623 0.250 1
1 1096 . 10 1 1 A 97 97 VAL CA C 97 59.188 58.811 0.377 1
1 1097 . 10 1 1 A 97 97 VAL HA H 97 4.917 4.951 -0.034 1
1 1098 . 10 1 1 A 97 97 VAL CB C 97 35.185 36.186 -1.001 1
1 1108 . 10 1 1 A 97 97 VAL C C 97 173.801 174.429 -0.628 1
1 1109 . 10 1 1 A 98 98 ARG N N 98 125.203 121.563 3.640 1
1 1110 . 10 1 1 A 98 98 ARG H H 98 8.826 8.660 0.166 1
1 1111 . 10 1 1 A 98 98 ARG CA C 98 56.337 54.451 1.886 1
1 1112 . 10 1 1 A 98 98 ARG HA H 98 4.610 5.207 -0.597 1
1 1113 . 10 1 1 A 98 98 ARG CB C 98 32.031 34.121 -2.090 1
1 1119 . 10 1 1 A 98 98 ARG C C 98 174.438 174.310 0.128 1
1 1123 . 10 1 1 A 99 99 VAL N N 99 127.382 122.098 5.284 1
1 1124 . 10 1 1 A 99 99 VAL H H 99 8.144 8.736 -0.592 1
1 1125 . 10 1 1 A 99 99 VAL CA C 99 61.216 60.869 0.347 1
1 1126 . 10 1 1 A 99 99 VAL HA H 99 4.115 4.545 -0.430 1
1 1127 . 10 1 1 A 99 99 VAL CB C 99 32.590 33.234 -0.644 1
1 1137 . 10 1 1 A 99 99 VAL C C 99 176.994 175.660 1.334 1
1 1138 . 10 1 1 A 100 100 GLY N N 100 117.424 115.632 1.792 1
1 1139 . 10 1 1 A 100 100 GLY H H 100 8.682 8.001 0.681 1
1 1140 . 10 1 1 A 100 100 GLY CA C 100 44.650 44.743 -0.093 1
1 1141 . 10 1 1 A 100 100 GLY HA3 H 100 4.386 4.196 0.190 1
1 1142 . 10 1 1 A 100 100 GLY C C 100 173.180 173.199 -0.019 1
1 1143 . 10 1 1 A 100 100 GLY HA2 H 100 3.954 4.185 -0.231 1
1 1144 . 10 1 1 A 101 101 GLU N N 101 119.495 121.506 -2.011 1
1 1145 . 10 1 1 A 101 101 GLU H H 101 8.383 8.502 -0.119 1
1 1146 . 10 1 1 A 101 101 GLU CA C 101 54.168 54.166 0.002 1
1 1147 . 10 1 1 A 101 101 GLU HA H 101 4.661 5.031 -0.370 1
1 1148 . 10 1 1 A 101 101 GLU CB C 101 29.836 31.872 -2.036 1
1 1152 . 10 1 1 A 101 101 GLU C C 101 175.458 174.532 0.926 1
1 1155 . 10 1 1 A 102 102 PRO CA C 102 63.897 62.745 1.152 1
1 1156 . 10 1 1 A 102 102 PRO HA H 102 4.361 4.616 -0.255 1
1 1157 . 10 1 1 A 102 102 PRO CB C 102 31.946 33.345 -1.399 1
1 1163 . 10 1 1 A 102 102 PRO C C 102 177.509 176.300 1.209 1
1 1167 . 10 1 1 A 103 103 GLY N N 103 109.378 106.715 2.663 1
1 1168 . 10 1 1 A 103 103 GLY H H 103 8.552 8.355 0.197 1
1 1169 . 10 1 1 A 103 103 GLY CA C 103 45.263 45.407 -0.144 1
1 1170 . 10 1 1 A 103 103 GLY HA3 H 103 3.962 4.327 -0.365 1
1 1171 . 10 1 1 A 103 103 GLY C C 103 174.277 172.676 1.601 1
1 1172 . 10 1 1 A 103 103 GLY HA2 H 103 3.962 4.326 -0.364 1
1 1173 . 10 1 1 A 104 104 GLN N N 104 119.735 117.139 2.596 1
1 1174 . 10 1 1 A 104 104 GLN H H 104 8.096 8.555 -0.459 1
1 1175 . 10 1 1 A 104 104 GLN CA C 104 55.924 55.019 0.905 1
1 1176 . 10 1 1 A 104 104 GLN HA H 104 4.339 4.648 -0.309 1
1 1177 . 10 1 1 A 104 104 GLN CB C 104 29.622 29.973 -0.351 1
1 1184 . 10 1 1 A 104 104 GLN C C 104 175.669 176.024 -0.355 1
1 1187 . 10 1 1 A 105 105 ALA N N 105 125.603 124.340 1.263 1
1 1188 . 10 1 1 A 105 105 ALA H H 105 8.389 8.893 -0.504 1
1 1189 . 10 1 1 A 105 105 ALA CA C 105 52.416 55.154 -2.738 1
1 1190 . 10 1 1 A 105 105 ALA HA H 105 4.385 4.236 0.149 1
1 1191 . 10 1 1 A 105 105 ALA CB C 105 19.608 19.018 0.590 1
1 1195 . 10 1 1 A 105 105 ALA C C 105 176.971 177.052 -0.081 1
1 1 . 11 1 1 A 8 8 SER CA C 8 59.066 59.399 -0.333 1
1 2 . 11 1 1 A 8 8 SER HA H 8 4.444 4.447 -0.003 1
1 3 . 11 1 1 A 8 8 SER CB C 8 63.749 64.182 -0.433 1
1 5 . 11 1 1 A 8 8 SER C C 8 174.832 173.747 1.085 1
1 7 . 11 1 1 A 9 9 ASP N N 9 122.244 123.093 -0.849 1
1 8 . 11 1 1 A 9 9 ASP H H 9 8.460 8.836 -0.376 1
1 9 . 11 1 1 A 9 9 ASP CA C 9 54.943 54.392 0.551 1
1 10 . 11 1 1 A 9 9 ASP HA H 9 4.730 5.072 -0.342 1
1 11 . 11 1 1 A 9 9 ASP CB C 9 41.125 42.800 -1.675 1
1 13 . 11 1 1 A 9 9 ASP C C 9 176.845 175.504 1.341 1
1 15 . 11 1 1 A 10 10 ASP N N 10 120.929 115.792 5.137 1
1 16 . 11 1 1 A 10 10 ASP H H 10 8.121 8.069 0.052 1
1 17 . 11 1 1 A 10 10 ASP CA C 10 55.841 55.378 0.463 1
1 18 . 11 1 1 A 10 10 ASP HA H 10 4.523 4.316 0.207 1
1 19 . 11 1 1 A 10 10 ASP CB C 10 41.834 38.697 3.137 1
1 21 . 11 1 1 A 10 10 ASP C C 10 177.047 175.957 1.090 1
1 23 . 11 1 1 A 11 11 ALA N N 11 122.815 119.701 3.114 1
1 24 . 11 1 1 A 11 11 ALA H H 11 8.520 7.800 0.720 1
1 25 . 11 1 1 A 11 11 ALA CA C 11 54.828 54.778 0.050 1
1 26 . 11 1 1 A 11 11 ALA HA H 11 4.004 3.694 0.310 1
1 27 . 11 1 1 A 11 11 ALA CB C 11 19.454 18.273 1.181 1
1 31 . 11 1 1 A 11 11 ALA C C 11 179.280 179.115 0.165 1
1 32 . 11 1 1 A 12 12 ARG N N 12 115.782 116.879 -1.097 1
1 33 . 11 1 1 A 12 12 ARG H H 12 8.159 7.939 0.220 1
1 34 . 11 1 1 A 12 12 ARG CA C 12 57.578 58.152 -0.574 1
1 35 . 11 1 1 A 12 12 ARG HA H 12 4.310 4.144 0.166 1
1 36 . 11 1 1 A 12 12 ARG CB C 12 29.817 29.772 0.045 1
1 42 . 11 1 1 A 12 12 ARG C C 12 176.412 177.188 -0.776 1
1 46 . 11 1 1 A 13 13 ARG N N 13 117.438 117.619 -0.181 1
1 47 . 11 1 1 A 13 13 ARG H H 13 7.858 7.642 0.216 1
1 48 . 11 1 1 A 13 13 ARG CA C 13 56.855 55.500 1.355 1
1 49 . 11 1 1 A 13 13 ARG HA H 13 4.183 4.400 -0.217 1
1 50 . 11 1 1 A 13 13 ARG CB C 13 30.976 29.502 1.474 1
1 56 . 11 1 1 A 13 13 ARG C C 13 176.451 174.140 2.311 1
1 60 . 11 1 1 A 14 14 LEU N N 14 121.077 121.902 -0.825 1
1 61 . 11 1 1 A 14 14 LEU H H 14 6.925 7.581 -0.656 1
1 62 . 11 1 1 A 14 14 LEU CA C 14 56.582 53.517 3.065 1
1 63 . 11 1 1 A 14 14 LEU HA H 14 4.394 5.053 -0.659 1
1 64 . 11 1 1 A 14 14 LEU CB C 14 42.968 45.712 -2.744 1
1 76 . 11 1 1 A 14 14 LEU C C 14 177.296 175.077 2.219 1
1 78 . 11 1 1 A 15 15 THR N N 15 115.028 121.150 -6.122 1
1 79 . 11 1 1 A 15 15 THR H H 15 8.716 8.557 0.159 1
1 80 . 11 1 1 A 15 15 THR CA C 15 61.169 61.604 -0.435 1
1 81 . 11 1 1 A 15 15 THR HA H 15 4.667 5.021 -0.354 1
1 82 . 11 1 1 A 15 15 THR CB C 15 71.348 71.063 0.285 1
1 88 . 11 1 1 A 15 15 THR C C 15 173.454 173.602 -0.148 1
1 89 . 11 1 1 A 16 16 VAL N N 16 126.736 126.611 0.125 1
1 90 . 11 1 1 A 16 16 VAL H H 16 8.727 8.868 -0.141 1
1 91 . 11 1 1 A 16 16 VAL CA C 16 62.600 61.297 1.303 1
1 92 . 11 1 1 A 16 16 VAL HA H 16 4.539 4.486 0.053 1
1 93 . 11 1 1 A 16 16 VAL CB C 16 32.521 32.979 -0.458 1
1 103 . 11 1 1 A 16 16 VAL C C 16 175.348 175.007 0.341 1
1 104 . 11 1 1 A 17 17 MET N N 17 126.444 124.728 1.716 1
1 105 . 11 1 1 A 17 17 MET H H 17 9.255 8.932 0.323 1
1 106 . 11 1 1 A 17 17 MET CA C 17 54.872 53.988 0.884 1
1 107 . 11 1 1 A 17 17 MET HA H 17 4.806 4.843 -0.037 1
1 108 . 11 1 1 A 17 17 MET CB C 17 35.443 35.928 -0.485 1
1 116 . 11 1 1 A 17 17 MET C C 17 174.681 175.322 -0.641 1
1 119 . 11 1 1 A 18 18 SER N N 18 112.443 112.457 -0.014 1
1 120 . 11 1 1 A 18 18 SER H H 18 8.568 8.530 0.038 1
1 121 . 11 1 1 A 18 18 SER CA C 18 58.711 58.736 -0.025 1
1 122 . 11 1 1 A 18 18 SER HA H 18 4.018 3.984 0.034 1
1 123 . 11 1 1 A 18 18 SER CB C 18 62.009 62.000 0.009 1
1 125 . 11 1 1 A 18 18 SER C C 18 173.373 172.949 0.424 1
1 127 . 11 1 1 A 19 19 LEU N N 19 122.011 121.111 0.900 1
1 128 . 11 1 1 A 19 19 LEU H H 19 7.996 7.728 0.268 1
1 129 . 11 1 1 A 19 19 LEU CA C 19 54.978 53.942 1.036 1
1 130 . 11 1 1 A 19 19 LEU HA H 19 4.283 4.854 -0.571 1
1 131 . 11 1 1 A 19 19 LEU CB C 19 41.955 43.819 -1.864 1
1 143 . 11 1 1 A 19 19 LEU C C 19 176.135 175.418 0.717 1
1 145 . 11 1 1 A 20 20 GLN N N 20 127.739 126.457 1.282 1
1 146 . 11 1 1 A 20 20 GLN H H 20 8.669 8.630 0.039 1
1 147 . 11 1 1 A 20 20 GLN CA C 20 55.617 55.885 -0.268 1
1 148 . 11 1 1 A 20 20 GLN HA H 20 4.400 4.475 -0.075 1
1 149 . 11 1 1 A 20 20 GLN CB C 20 29.298 30.022 -0.724 1
1 156 . 11 1 1 A 20 20 GLN C C 20 175.033 175.095 -0.062 1
1 159 . 11 1 1 A 21 21 GLU N N 21 121.152 123.212 -2.060 1
1 160 . 11 1 1 A 21 21 GLU H H 21 8.546 9.236 -0.690 1
1 161 . 11 1 1 A 21 21 GLU CA C 21 57.598 57.337 0.261 1
1 162 . 11 1 1 A 21 21 GLU HA H 21 4.310 4.553 -0.243 1
1 163 . 11 1 1 A 21 21 GLU CB C 21 30.764 32.247 -1.483 1
1 167 . 11 1 1 A 21 21 GLU C C 21 176.581 177.566 -0.985 1
1 170 . 11 1 1 A 22 22 SER N N 22 113.328 109.951 3.377 1
1 171 . 11 1 1 A 22 22 SER H H 22 8.018 8.009 0.009 1
1 172 . 11 1 1 A 22 22 SER CA C 22 57.682 56.997 0.685 1
1 173 . 11 1 1 A 22 22 SER HA H 22 4.997 5.002 -0.005 1
1 174 . 11 1 1 A 22 22 SER CB C 22 64.489 63.502 0.987 1
1 176 . 11 1 1 A 22 22 SER C C 22 174.062 175.457 -1.395 1
1 178 . 11 1 1 A 23 23 GLY N N 23 109.317 109.550 -0.233 1
1 179 . 11 1 1 A 23 23 GLY H H 23 8.828 7.973 0.855 1
1 180 . 11 1 1 A 23 23 GLY CA C 23 45.609 45.549 0.060 1
1 181 . 11 1 1 A 23 23 GLY HA3 H 23 4.116 4.089 0.027 1
1 182 . 11 1 1 A 23 23 GLY C C 23 174.629 174.014 0.615 1
1 183 . 11 1 1 A 23 23 GLY HA2 H 23 3.832 4.087 -0.255 1
1 184 . 11 1 1 A 24 24 LEU N N 24 120.545 120.568 -0.023 1
1 185 . 11 1 1 A 24 24 LEU H H 24 7.559 7.420 0.139 1
1 186 . 11 1 1 A 24 24 LEU CA C 24 55.569 54.701 0.868 1
1 187 . 11 1 1 A 24 24 LEU HA H 24 4.310 4.488 -0.178 1
1 188 . 11 1 1 A 24 24 LEU CB C 24 42.978 42.026 0.952 1
1 200 . 11 1 1 A 24 24 LEU C C 24 176.704 175.948 0.756 1
1 202 . 11 1 1 A 25 25 LYS N N 25 122.188 119.143 3.045 1
1 203 . 11 1 1 A 25 25 LYS H H 25 8.828 8.526 0.302 1
1 204 . 11 1 1 A 25 25 LYS CA C 25 54.686 54.511 0.175 1
1 205 . 11 1 1 A 25 25 LYS HA H 25 4.676 5.144 -0.468 1
1 206 . 11 1 1 A 25 25 LYS CB C 25 35.736 36.458 -0.722 1
1 214 . 11 1 1 A 25 25 LYS C C 25 175.885 176.553 -0.668 1
1 219 . 11 1 1 A 26 26 VAL N N 26 121.689 122.459 -0.770 1
1 220 . 11 1 1 A 26 26 VAL H H 26 8.503 8.642 -0.139 1
1 221 . 11 1 1 A 26 26 VAL CA C 26 64.069 61.962 2.107 1
1 222 . 11 1 1 A 26 26 VAL HA H 26 3.218 4.330 -1.112 1
1 223 . 11 1 1 A 26 26 VAL CB C 26 31.636 32.744 -1.108 1
1 233 . 11 1 1 A 26 26 VAL C C 26 175.837 175.487 0.350 1
1 234 . 11 1 1 A 27 27 ASN N N 27 116.772 118.737 -1.965 1
1 235 . 11 1 1 A 27 27 ASN H H 27 8.682 8.962 -0.280 1
1 236 . 11 1 1 A 27 27 ASN CA C 27 55.183 54.337 0.846 1
1 237 . 11 1 1 A 27 27 ASN HA H 27 4.138 4.249 -0.111 1
1 238 . 11 1 1 A 27 27 ASN CB C 27 37.242 37.440 -0.198 1
1 243 . 11 1 1 A 27 27 ASN C C 27 173.308 173.895 -0.587 1
1 245 . 11 1 1 A 28 28 GLN N N 28 118.793 117.052 1.741 1
1 246 . 11 1 1 A 28 28 GLN H H 28 7.544 7.644 -0.100 1
1 247 . 11 1 1 A 28 28 GLN CA C 28 52.212 52.441 -0.229 1
1 248 . 11 1 1 A 28 28 GLN HA H 28 4.893 4.670 0.223 1
1 249 . 11 1 1 A 28 28 GLN CB C 28 30.060 31.065 -1.005 1
1 256 . 11 1 1 A 28 28 GLN C C 28 173.078 173.332 -0.254 1
1 259 . 11 1 1 A 29 29 PRO CA C 29 63.563 62.677 0.886 1
1 260 . 11 1 1 A 29 29 PRO HA H 29 4.294 4.631 -0.337 1
1 261 . 11 1 1 A 29 29 PRO CB C 29 31.874 31.696 0.178 1
1 267 . 11 1 1 A 29 29 PRO C C 29 175.250 175.704 -0.454 1
1 271 . 11 1 1 A 30 30 ALA N N 30 128.803 127.518 1.285 1
1 272 . 11 1 1 A 30 30 ALA H H 30 8.887 8.298 0.589 1
1 273 . 11 1 1 A 30 30 ALA CA C 30 50.558 50.505 0.053 1
1 274 . 11 1 1 A 30 30 ALA HA H 30 4.539 4.797 -0.258 1
1 275 . 11 1 1 A 30 30 ALA CB C 30 21.602 21.298 0.304 1
1 279 . 11 1 1 A 30 30 ALA C C 30 175.510 175.789 -0.279 1
1 280 . 11 1 1 A 31 31 SER N N 31 112.512 116.123 -3.611 1
1 281 . 11 1 1 A 31 31 SER H H 31 8.214 8.964 -0.750 1
1 282 . 11 1 1 A 31 31 SER CA C 31 56.701 55.878 0.823 1
1 283 . 11 1 1 A 31 31 SER HA H 31 5.832 5.857 -0.025 1
1 284 . 11 1 1 A 31 31 SER CB C 31 66.721 66.258 0.463 1
1 286 . 11 1 1 A 31 31 SER C C 31 173.379 173.990 -0.611 1
1 288 . 11 1 1 A 32 32 PHE N N 32 119.232 118.355 0.877 1
1 289 . 11 1 1 A 32 32 PHE H H 32 8.798 8.299 0.499 1
1 290 . 11 1 1 A 32 32 PHE CA C 32 56.218 55.340 0.878 1
1 291 . 11 1 1 A 32 32 PHE HA H 32 4.925 5.715 -0.790 1
1 292 . 11 1 1 A 32 32 PHE CB C 32 39.752 42.022 -2.270 1
1 304 . 11 1 1 A 32 32 PHE C C 32 172.709 173.138 -0.429 1
1 306 . 11 1 1 A 33 33 ALA N N 33 122.788 122.099 0.689 1
1 307 . 11 1 1 A 33 33 ALA H H 33 8.827 9.033 -0.206 1
1 308 . 11 1 1 A 33 33 ALA CA C 33 50.616 50.193 0.423 1
1 309 . 11 1 1 A 33 33 ALA HA H 33 5.654 5.442 0.212 1
1 310 . 11 1 1 A 33 33 ALA CB C 33 22.616 22.026 0.590 1
1 314 . 11 1 1 A 33 33 ALA C C 33 175.770 176.237 -0.467 1
1 315 . 11 1 1 A 34 34 ILE N N 34 118.542 121.845 -3.303 1
1 316 . 11 1 1 A 34 34 ILE H H 34 9.194 9.020 0.174 1
1 317 . 11 1 1 A 34 34 ILE CA C 34 59.486 59.592 -0.106 1
1 318 . 11 1 1 A 34 34 ILE HA H 34 4.978 5.008 -0.030 1
1 319 . 11 1 1 A 34 34 ILE CB C 34 42.577 41.210 1.367 1
1 331 . 11 1 1 A 34 34 ILE C C 34 174.924 174.376 0.548 1
1 333 . 11 1 1 A 35 35 ARG N N 35 126.774 127.575 -0.801 1
1 334 . 11 1 1 A 35 35 ARG H H 35 9.038 9.272 -0.234 1
1 335 . 11 1 1 A 35 35 ARG CA C 35 54.096 54.568 -0.472 1
1 336 . 11 1 1 A 35 35 ARG HA H 35 5.283 5.164 0.119 1
1 337 . 11 1 1 A 35 35 ARG CB C 35 32.039 33.545 -1.506 1
1 343 . 11 1 1 A 35 35 ARG C C 35 175.959 174.704 1.255 1
1 347 . 11 1 1 A 36 36 LEU N N 36 123.887 127.062 -3.175 1
1 348 . 11 1 1 A 36 36 LEU H H 36 8.648 8.880 -0.232 1
1 349 . 11 1 1 A 36 36 LEU CA C 36 56.318 53.609 2.709 1
1 350 . 11 1 1 A 36 36 LEU HA H 36 4.037 4.892 -0.855 1
1 351 . 11 1 1 A 36 36 LEU CB C 36 41.028 43.240 -2.212 1
1 363 . 11 1 1 A 36 36 LEU C C 36 177.292 176.438 0.854 1
1 365 . 11 1 1 A 37 37 ASN N N 37 115.087 122.441 -7.354 1
1 366 . 11 1 1 A 37 37 ASN H H 37 8.594 8.577 0.017 1
1 367 . 11 1 1 A 37 37 ASN CA C 37 54.182 53.136 1.046 1
1 368 . 11 1 1 A 37 37 ASN HA H 37 4.407 4.853 -0.446 1
1 369 . 11 1 1 A 37 37 ASN CB C 37 37.687 38.631 -0.944 1
1 374 . 11 1 1 A 37 37 ASN C C 37 176.277 175.383 0.894 1
1 376 . 11 1 1 A 38 38 GLY N N 38 106.329 107.416 -1.087 1
1 377 . 11 1 1 A 38 38 GLY H H 38 9.506 7.919 1.587 1
1 378 . 11 1 1 A 38 38 GLY CA C 38 45.290 45.423 -0.133 1
1 379 . 11 1 1 A 38 38 GLY HA3 H 38 4.156 4.051 0.105 1
1 380 . 11 1 1 A 38 38 GLY C C 38 174.483 174.116 0.367 1
1 381 . 11 1 1 A 38 38 GLY HA2 H 38 3.617 4.032 -0.415 1
1 382 . 11 1 1 A 39 39 ALA N N 39 124.015 122.837 1.178 1
1 383 . 11 1 1 A 39 39 ALA H H 39 7.483 7.822 -0.339 1
1 384 . 11 1 1 A 39 39 ALA CA C 39 52.396 50.586 1.810 1
1 385 . 11 1 1 A 39 39 ALA HA H 39 4.280 4.533 -0.253 1
1 386 . 11 1 1 A 39 39 ALA CB C 39 20.424 20.645 -0.221 1
1 390 . 11 1 1 A 39 39 ALA C C 39 176.275 176.945 -0.670 1
1 391 . 11 1 1 A 40 40 LYS N N 40 119.513 120.564 -1.051 1
1 392 . 11 1 1 A 40 40 LYS H H 40 8.685 8.954 -0.269 1
1 393 . 11 1 1 A 40 40 LYS CA C 40 54.696 54.793 -0.097 1
1 394 . 11 1 1 A 40 40 LYS HA H 40 4.811 5.380 -0.569 1
1 395 . 11 1 1 A 40 40 LYS CB C 40 34.324 35.300 -0.976 1
1 403 . 11 1 1 A 40 40 LYS C C 40 176.004 175.295 0.709 1
1 408 . 11 1 1 A 41 41 GLY N N 41 111.941 107.517 4.424 1
1 409 . 11 1 1 A 41 41 GLY H H 41 8.398 8.295 0.103 1
1 410 . 11 1 1 A 41 41 GLY CA C 41 45.887 45.792 0.095 1
1 411 . 11 1 1 A 41 41 GLY HA3 H 41 3.722 4.119 -0.397 1
1 412 . 11 1 1 A 41 41 GLY C C 41 171.021 171.150 -0.129 1
1 413 . 11 1 1 A 41 41 GLY HA2 H 41 3.722 3.945 -0.223 1
1 414 . 11 1 1 A 42 42 LYS N N 42 119.600 121.511 -1.911 1
1 415 . 11 1 1 A 42 42 LYS H H 42 7.293 8.063 -0.770 1
1 416 . 11 1 1 A 42 42 LYS CA C 42 54.522 54.613 -0.091 1
1 417 . 11 1 1 A 42 42 LYS HA H 42 4.467 4.718 -0.251 1
1 418 . 11 1 1 A 42 42 LYS CB C 42 34.979 34.498 0.481 1
1 426 . 11 1 1 A 42 42 LYS C C 42 175.675 174.999 0.676 1
1 431 . 11 1 1 A 43 43 ILE N N 43 127.421 128.322 -0.901 1
1 432 . 11 1 1 A 43 43 ILE H H 43 8.706 8.742 -0.036 1
1 433 . 11 1 1 A 43 43 ILE CA C 43 60.336 59.783 0.553 1
1 434 . 11 1 1 A 43 43 ILE HA H 43 4.695 4.616 0.079 1
1 435 . 11 1 1 A 43 43 ILE CB C 43 39.322 38.438 0.884 1
1 447 . 11 1 1 A 43 43 ILE C C 43 174.542 174.923 -0.381 1
1 449 . 11 1 1 A 44 44 ASP N N 44 127.995 126.412 1.583 1
1 450 . 11 1 1 A 44 44 ASP H H 44 8.861 8.808 0.053 1
1 451 . 11 1 1 A 44 44 ASP CA C 44 53.245 52.847 0.398 1
1 452 . 11 1 1 A 44 44 ASP HA H 44 4.817 5.387 -0.570 1
1 453 . 11 1 1 A 44 44 ASP CB C 44 44.577 44.612 -0.035 1
1 455 . 11 1 1 A 44 44 ASP C C 44 173.768 174.793 -1.025 1
1 457 . 11 1 1 A 45 45 ALA N N 45 127.601 124.502 3.099 1
1 458 . 11 1 1 A 45 45 ALA H H 45 8.819 9.018 -0.199 1
1 459 . 11 1 1 A 45 45 ALA CA C 45 50.180 50.936 -0.756 1
1 460 . 11 1 1 A 45 45 ALA HA H 45 5.859 5.397 0.462 1
1 461 . 11 1 1 A 45 45 ALA CB C 45 21.379 22.845 -1.466 1
1 465 . 11 1 1 A 45 45 ALA C C 45 175.393 175.404 -0.011 1
1 466 . 11 1 1 A 46 46 LYS N N 46 122.427 121.965 0.462 1
1 467 . 11 1 1 A 46 46 LYS H H 46 8.723 8.481 0.242 1
1 468 . 11 1 1 A 46 46 LYS CA C 46 55.090 54.832 0.258 1
1 469 . 11 1 1 A 46 46 LYS HA H 46 5.057 5.041 0.016 1
1 470 . 11 1 1 A 46 46 LYS CB C 46 37.534 36.930 0.604 1
1 478 . 11 1 1 A 46 46 LYS C C 46 173.473 174.429 -0.956 1
1 483 . 11 1 1 A 47 47 VAL N N 47 120.177 121.703 -1.526 1
1 484 . 11 1 1 A 47 47 VAL H H 47 8.989 8.522 0.467 1
1 485 . 11 1 1 A 47 47 VAL CA C 47 59.152 60.066 -0.914 1
1 486 . 11 1 1 A 47 47 VAL HA H 47 4.875 4.834 0.041 1
1 487 . 11 1 1 A 47 47 VAL CB C 47 34.502 34.001 0.501 1
1 497 . 11 1 1 A 47 47 VAL C C 47 173.786 174.115 -0.329 1
1 498 . 11 1 1 A 48 48 HIS N N 48 127.949 129.245 -1.296 1
1 499 . 11 1 1 A 48 48 HIS H H 48 9.661 9.112 0.549 1
1 500 . 11 1 1 A 48 48 HIS CA C 48 53.917 56.105 -2.188 1
1 501 . 11 1 1 A 48 48 HIS HA H 48 5.238 5.113 0.125 1
1 502 . 11 1 1 A 48 48 HIS CB C 48 30.549 31.942 -1.393 1
1 508 . 11 1 1 A 48 48 HIS C C 48 175.556 175.048 0.508 1
1 510 . 11 1 1 A 49 49 SER N N 49 121.639 115.307 6.332 1
1 511 . 11 1 1 A 49 49 SER H H 49 9.114 8.191 0.923 1
1 512 . 11 1 1 A 49 49 SER CA C 49 56.693 55.522 1.171 1
1 513 . 11 1 1 A 49 49 SER HA H 49 4.391 4.850 -0.459 1
1 514 . 11 1 1 A 49 49 SER CB C 49 63.160 66.021 -2.861 1
1 516 . 11 1 1 A 49 49 SER C C 49 174.390 174.591 -0.201 1
1 518 . 11 1 1 A 50 50 PRO CA C 50 65.732 64.324 1.408 1
1 519 . 11 1 1 A 50 50 PRO HA H 50 4.247 4.495 -0.248 1
1 520 . 11 1 1 A 50 50 PRO CB C 50 31.516 31.732 -0.216 1
1 526 . 11 1 1 A 50 50 PRO C C 50 177.969 177.465 0.504 1
1 530 . 11 1 1 A 51 51 SER N N 51 110.808 111.456 -0.648 1
1 531 . 11 1 1 A 51 51 SER H H 51 8.539 7.800 0.739 1
1 532 . 11 1 1 A 51 51 SER CA C 51 59.311 58.037 1.274 1
1 533 . 11 1 1 A 51 51 SER HA H 51 4.331 4.568 -0.237 1
1 534 . 11 1 1 A 51 51 SER CB C 51 62.767 63.276 -0.509 1
1 536 . 11 1 1 A 51 51 SER C C 51 175.339 174.420 0.919 1
1 538 . 11 1 1 A 52 52 GLY N N 52 110.692 110.212 0.480 1
1 539 . 11 1 1 A 52 52 GLY H H 52 8.181 7.740 0.441 1
1 540 . 11 1 1 A 52 52 GLY CA C 52 44.862 46.304 -1.442 1
1 541 . 11 1 1 A 52 52 GLY HA3 H 52 4.444 3.996 0.448 1
1 542 . 11 1 1 A 52 52 GLY C C 52 174.389 174.375 0.014 1
1 543 . 11 1 1 A 52 52 GLY HA2 H 52 3.634 3.980 -0.346 1
1 544 . 11 1 1 A 53 53 ALA N N 53 124.417 122.643 1.774 1
1 545 . 11 1 1 A 53 53 ALA H H 53 7.419 7.802 -0.383 1
1 546 . 11 1 1 A 53 53 ALA CA C 53 52.538 50.474 2.064 1
1 547 . 11 1 1 A 53 53 ALA HA H 53 4.373 4.713 -0.340 1
1 548 . 11 1 1 A 53 53 ALA CB C 53 19.207 21.643 -2.436 1
1 552 . 11 1 1 A 53 53 ALA C C 53 176.519 175.996 0.523 1
1 553 . 11 1 1 A 54 54 VAL N N 54 121.228 122.080 -0.852 1
1 554 . 11 1 1 A 54 54 VAL H H 54 8.429 9.049 -0.620 1
1 555 . 11 1 1 A 54 54 VAL CA C 54 60.672 61.364 -0.692 1
1 556 . 11 1 1 A 54 54 VAL HA H 54 4.980 4.829 0.151 1
1 557 . 11 1 1 A 54 54 VAL CB C 54 33.933 34.498 -0.565 1
1 567 . 11 1 1 A 54 54 VAL C C 54 175.443 174.585 0.858 1
1 568 . 11 1 1 A 55 55 GLU N N 55 126.290 128.526 -2.236 1
1 569 . 11 1 1 A 55 55 GLU H H 55 8.640 8.843 -0.203 1
1 570 . 11 1 1 A 55 55 GLU CA C 55 54.306 55.659 -1.353 1
1 571 . 11 1 1 A 55 55 GLU HA H 55 4.754 4.437 0.317 1
1 572 . 11 1 1 A 55 55 GLU CB C 55 33.612 30.944 2.668 1
1 576 . 11 1 1 A 55 55 GLU C C 55 175.073 175.258 -0.185 1
1 579 . 11 1 1 A 56 56 GLU N N 56 123.200 124.019 -0.819 1
1 580 . 11 1 1 A 56 56 GLU H H 56 8.878 8.595 0.283 1
1 581 . 11 1 1 A 56 56 GLU CA C 56 56.966 54.950 2.016 1
1 582 . 11 1 1 A 56 56 GLU HA H 56 4.479 4.899 -0.420 1
1 583 . 11 1 1 A 56 56 GLU CB C 56 30.258 32.203 -1.945 1
1 587 . 11 1 1 A 56 56 GLU C C 56 177.592 175.033 2.559 1
1 590 . 11 1 1 A 57 57 CYS N N 57 121.919 126.529 -4.610 1
1 591 . 11 1 1 A 57 57 CYS H H 57 8.496 8.147 0.349 1
1 592 . 11 1 1 A 57 57 CYS CA C 57 59.030 58.309 0.721 1
1 593 . 11 1 1 A 57 57 CYS HA H 57 4.690 5.058 -0.368 1
1 594 . 11 1 1 A 57 57 CYS CB C 57 29.620 27.917 1.703 1
1 596 . 11 1 1 A 57 57 CYS C C 57 173.871 174.045 -0.174 1
1 598 . 11 1 1 A 58 58 HIS N N 58 123.415 125.088 -1.673 1
1 599 . 11 1 1 A 58 58 HIS H H 58 8.961 8.588 0.373 1
1 600 . 11 1 1 A 58 58 HIS CA C 58 56.751 54.977 1.774 1
1 601 . 11 1 1 A 58 58 HIS HA H 58 4.725 4.680 0.045 1
1 602 . 11 1 1 A 58 58 HIS CB C 58 31.813 29.802 2.011 1
1 608 . 11 1 1 A 58 58 HIS C C 58 174.903 172.895 2.008 1
1 610 . 11 1 1 A 59 59 VAL N N 59 128.900 129.590 -0.690 1
1 611 . 11 1 1 A 59 59 VAL H H 59 8.521 9.015 -0.494 1
1 612 . 11 1 1 A 59 59 VAL CA C 59 61.131 61.879 -0.748 1
1 613 . 11 1 1 A 59 59 VAL HA H 59 5.142 4.700 0.442 1
1 614 . 11 1 1 A 59 59 VAL CB C 59 33.825 32.045 1.780 1
1 624 . 11 1 1 A 59 59 VAL C C 59 175.539 174.637 0.902 1
1 625 . 11 1 1 A 60 60 SER N N 60 120.428 123.013 -2.585 1
1 626 . 11 1 1 A 60 60 SER H H 60 8.995 8.749 0.246 1
1 627 . 11 1 1 A 60 60 SER CA C 60 56.782 56.582 0.200 1
1 628 . 11 1 1 A 60 60 SER HA H 60 4.823 5.177 -0.354 1
1 629 . 11 1 1 A 60 60 SER CB C 60 65.880 64.701 1.179 1
1 631 . 11 1 1 A 60 60 SER C C 60 172.353 173.191 -0.838 1
1 633 . 11 1 1 A 61 61 GLU N N 61 125.163 127.390 -2.227 1
1 634 . 11 1 1 A 61 61 GLU H H 61 8.894 8.791 0.103 1
1 635 . 11 1 1 A 61 61 GLU CA C 61 57.081 55.296 1.785 1
1 636 . 11 1 1 A 61 61 GLU HA H 61 3.545 3.893 -0.348 1
1 637 . 11 1 1 A 61 61 GLU CB C 61 30.675 29.166 1.509 1
1 641 . 11 1 1 A 61 61 GLU C C 61 176.353 175.204 1.149 1
1 644 . 11 1 1 A 62 62 LEU N N 62 129.563 128.772 0.791 1
1 645 . 11 1 1 A 62 62 LEU H H 62 8.800 8.736 0.064 1
1 646 . 11 1 1 A 62 62 LEU CA C 62 56.462 55.997 0.465 1
1 647 . 11 1 1 A 62 62 LEU HA H 62 4.341 4.315 0.026 1
1 648 . 11 1 1 A 62 62 LEU CB C 62 44.020 42.715 1.305 1
1 660 . 11 1 1 A 62 62 LEU C C 62 176.662 176.878 -0.216 1
1 662 . 11 1 1 A 63 63 GLU N N 63 117.143 118.063 -0.920 1
1 663 . 11 1 1 A 63 63 GLU H H 63 8.292 7.338 0.954 1
1 664 . 11 1 1 A 63 63 GLU CA C 63 53.777 53.032 0.745 1
1 665 . 11 1 1 A 63 63 GLU HA H 63 4.655 4.687 -0.032 1
1 666 . 11 1 1 A 63 63 GLU CB C 63 29.768 31.303 -1.535 1
1 670 . 11 1 1 A 63 63 GLU C C 63 172.058 176.220 -4.162 1
1 673 . 11 1 1 A 64 64 PRO CA C 64 65.767 64.372 1.395 1
1 674 . 11 1 1 A 64 64 PRO HA H 64 4.227 4.571 -0.344 1
1 675 . 11 1 1 A 64 64 PRO CB C 64 31.005 31.871 -0.866 1
1 681 . 11 1 1 A 64 64 PRO C C 64 177.068 176.778 0.290 1
1 685 . 11 1 1 A 65 65 ASP N N 65 118.425 117.639 0.786 1
1 686 . 11 1 1 A 65 65 ASP H H 65 8.965 8.397 0.568 1
1 687 . 11 1 1 A 65 65 ASP CA C 65 55.827 53.567 2.260 1
1 688 . 11 1 1 A 65 65 ASP HA H 65 4.589 5.097 -0.508 1
1 689 . 11 1 1 A 65 65 ASP CB C 65 43.713 41.965 1.748 1
1 691 . 11 1 1 A 65 65 ASP C C 65 174.921 175.556 -0.635 1
1 693 . 11 1 1 A 66 66 LYS N N 66 120.940 118.787 2.153 1
1 694 . 11 1 1 A 66 66 LYS H H 66 8.476 7.515 0.961 1
1 695 . 11 1 1 A 66 66 LYS CA C 66 55.938 55.654 0.284 1
1 696 . 11 1 1 A 66 66 LYS HA H 66 5.476 5.243 0.233 1
1 697 . 11 1 1 A 66 66 LYS CB C 66 36.812 36.260 0.552 1
1 705 . 11 1 1 A 66 66 LYS C C 66 173.912 174.328 -0.416 1
1 710 . 11 1 1 A 67 67 TYR N N 67 126.047 123.381 2.666 1
1 711 . 11 1 1 A 67 67 TYR H H 67 9.291 8.691 0.600 1
1 712 . 11 1 1 A 67 67 TYR CA C 67 56.589 56.422 0.167 1
1 713 . 11 1 1 A 67 67 TYR HA H 67 5.136 5.219 -0.083 1
1 714 . 11 1 1 A 67 67 TYR CB C 67 41.933 43.735 -1.802 1
1 724 . 11 1 1 A 67 67 TYR C C 67 174.424 174.218 0.206 1
1 726 . 11 1 1 A 68 68 ALA N N 68 123.234 122.869 0.365 1
1 727 . 11 1 1 A 68 68 ALA H H 68 9.393 8.489 0.904 1
1 728 . 11 1 1 A 68 68 ALA CA C 68 50.620 50.259 0.361 1
1 729 . 11 1 1 A 68 68 ALA HA H 68 5.002 5.505 -0.503 1
1 730 . 11 1 1 A 68 68 ALA CB C 68 21.211 22.556 -1.345 1
1 734 . 11 1 1 A 68 68 ALA C C 68 176.258 175.782 0.476 1
1 735 . 11 1 1 A 69 69 VAL N N 69 121.910 120.983 0.927 1
1 736 . 11 1 1 A 69 69 VAL H H 69 8.412 8.468 -0.056 1
1 737 . 11 1 1 A 69 69 VAL CA C 69 61.147 60.966 0.181 1
1 738 . 11 1 1 A 69 69 VAL HA H 69 4.587 4.636 -0.049 1
1 739 . 11 1 1 A 69 69 VAL CB C 69 32.409 34.340 -1.931 1
1 749 . 11 1 1 A 69 69 VAL C C 69 174.300 173.656 0.644 1
1 750 . 11 1 1 A 70 70 ARG N N 70 125.218 129.754 -4.536 1
1 751 . 11 1 1 A 70 70 ARG H H 70 8.926 8.751 0.175 1
1 752 . 11 1 1 A 70 70 ARG CA C 70 54.404 54.541 -0.137 1
1 753 . 11 1 1 A 70 70 ARG HA H 70 5.665 5.070 0.595 1
1 754 . 11 1 1 A 70 70 ARG CB C 70 34.966 32.114 2.852 1
1 760 . 11 1 1 A 70 70 ARG C C 70 175.124 175.055 0.069 1
1 764 . 11 1 1 A 71 71 PHE N N 71 120.657 120.355 0.302 1
1 765 . 11 1 1 A 71 71 PHE H H 71 8.780 8.748 0.032 1
1 766 . 11 1 1 A 71 71 PHE CA C 71 55.969 56.192 -0.223 1
1 767 . 11 1 1 A 71 71 PHE HA H 71 5.082 5.099 -0.017 1
1 768 . 11 1 1 A 71 71 PHE CB C 71 41.335 41.119 0.216 1
1 780 . 11 1 1 A 71 71 PHE C C 71 171.920 172.068 -0.148 1
1 782 . 11 1 1 A 72 72 ILE N N 72 120.347 121.891 -1.544 1
1 783 . 11 1 1 A 72 72 ILE H H 72 8.714 9.021 -0.307 1
1 784 . 11 1 1 A 72 72 ILE CA C 72 57.669 58.133 -0.464 1
1 785 . 11 1 1 A 72 72 ILE HA H 72 4.469 4.589 -0.120 1
1 786 . 11 1 1 A 72 72 ILE CB C 72 39.824 38.674 1.150 1
1 798 . 11 1 1 A 72 72 ILE C C 72 173.612 175.178 -1.566 1
1 800 . 11 1 1 A 73 73 PRO CA C 73 62.050 62.336 -0.286 1
1 801 . 11 1 1 A 73 73 PRO HA H 73 4.493 4.875 -0.382 1
1 802 . 11 1 1 A 73 73 PRO CB C 73 33.680 29.124 4.556 1
1 808 . 11 1 1 A 73 73 PRO C C 73 176.990 175.466 1.524 1
1 812 . 11 1 1 A 74 74 HIS N N 74 119.655 117.609 2.046 1
1 813 . 11 1 1 A 74 74 HIS H H 74 10.240 8.628 1.612 1
1 814 . 11 1 1 A 74 74 HIS CA C 74 54.660 53.786 0.874 1
1 815 . 11 1 1 A 74 74 HIS HA H 74 5.035 5.678 -0.643 1
1 816 . 11 1 1 A 74 74 HIS CB C 74 30.530 31.649 -1.119 1
1 822 . 11 1 1 A 74 74 HIS C C 74 173.624 173.703 -0.079 1
1 824 . 11 1 1 A 75 75 GLU N N 75 118.178 123.667 -5.489 1
1 825 . 11 1 1 A 75 75 GLU H H 75 7.772 9.077 -1.305 1
1 826 . 11 1 1 A 75 75 GLU CA C 75 54.166 54.892 -0.726 1
1 827 . 11 1 1 A 75 75 GLU HA H 75 4.654 4.618 0.036 1
1 828 . 11 1 1 A 75 75 GLU CB C 75 33.422 32.843 0.579 1
1 832 . 11 1 1 A 75 75 GLU C C 75 173.599 174.965 -1.366 1
1 835 . 11 1 1 A 76 76 ASN N N 76 116.760 120.991 -4.231 1
1 836 . 11 1 1 A 76 76 ASN H H 76 8.530 8.525 0.005 1
1 837 . 11 1 1 A 76 76 ASN CA C 76 53.486 51.796 1.690 1
1 838 . 11 1 1 A 76 76 ASN HA H 76 4.606 5.110 -0.504 1
1 839 . 11 1 1 A 76 76 ASN CB C 76 40.184 38.939 1.245 1
1 844 . 11 1 1 A 76 76 ASN C C 76 175.598 175.030 0.568 1
1 846 . 11 1 1 A 77 77 GLY N N 77 106.497 108.291 -1.794 1
1 847 . 11 1 1 A 77 77 GLY H H 77 9.152 7.500 1.652 1
1 848 . 11 1 1 A 77 77 GLY CA C 77 43.752 46.136 -2.384 1
1 849 . 11 1 1 A 77 77 GLY HA3 H 77 4.797 4.094 0.703 1
1 850 . 11 1 1 A 77 77 GLY C C 77 176.329 171.774 4.555 1
1 851 . 11 1 1 A 77 77 GLY HA2 H 77 3.897 4.065 -0.168 1
1 852 . 11 1 1 A 78 78 VAL N N 78 124.582 122.571 2.011 1
1 853 . 11 1 1 A 78 78 VAL H H 78 9.334 8.256 1.078 1
1 854 . 11 1 1 A 78 78 VAL CA C 78 64.642 61.835 2.807 1
1 855 . 11 1 1 A 78 78 VAL HA H 78 4.399 4.740 -0.341 1
1 856 . 11 1 1 A 78 78 VAL CB C 78 31.464 33.251 -1.787 1
1 866 . 11 1 1 A 78 78 VAL C C 78 176.269 175.711 0.558 1
1 867 . 11 1 1 A 79 79 HIS N N 79 129.160 126.737 2.423 1
1 868 . 11 1 1 A 79 79 HIS H H 79 9.854 8.944 0.910 1
1 869 . 11 1 1 A 79 79 HIS CA C 79 55.150 56.153 -1.003 1
1 870 . 11 1 1 A 79 79 HIS HA H 79 4.921 5.077 -0.156 1
1 871 . 11 1 1 A 79 79 HIS CB C 79 30.772 31.811 -1.039 1
1 877 . 11 1 1 A 79 79 HIS C C 79 174.062 175.338 -1.276 1
1 879 . 11 1 1 A 80 80 THR N N 80 116.006 115.532 0.474 1
1 880 . 11 1 1 A 80 80 THR H H 80 8.526 8.833 -0.307 1
1 881 . 11 1 1 A 80 80 THR CA C 80 60.983 61.636 -0.653 1
1 882 . 11 1 1 A 80 80 THR HA H 80 5.380 5.209 0.171 1
1 883 . 11 1 1 A 80 80 THR CB C 80 70.590 71.446 -0.856 1
1 889 . 11 1 1 A 80 80 THR C C 80 173.671 173.252 0.419 1
1 890 . 11 1 1 A 81 81 ILE N N 81 127.414 128.748 -1.334 1
1 891 . 11 1 1 A 81 81 ILE H H 81 9.745 8.970 0.775 1
1 892 . 11 1 1 A 81 81 ILE CA C 81 60.037 60.722 -0.685 1
1 893 . 11 1 1 A 81 81 ILE HA H 81 4.867 4.502 0.365 1
1 894 . 11 1 1 A 81 81 ILE CB C 81 39.883 38.413 1.470 1
1 906 . 11 1 1 A 81 81 ILE C C 81 175.279 174.744 0.535 1
1 908 . 11 1 1 A 82 82 ASP N N 82 128.375 128.409 -0.034 1
1 909 . 11 1 1 A 82 82 ASP H H 82 9.157 8.692 0.465 1
1 910 . 11 1 1 A 82 82 ASP CA C 82 53.084 52.876 0.208 1
1 911 . 11 1 1 A 82 82 ASP HA H 82 5.060 5.287 -0.227 1
1 912 . 11 1 1 A 82 82 ASP CB C 82 42.929 42.340 0.589 1
1 914 . 11 1 1 A 82 82 ASP C C 82 175.923 174.609 1.314 1
1 916 . 11 1 1 A 83 83 VAL N N 83 125.651 125.793 -0.142 1
1 917 . 11 1 1 A 83 83 VAL H H 83 9.897 8.592 1.305 1
1 918 . 11 1 1 A 83 83 VAL CA C 83 62.407 61.711 0.696 1
1 919 . 11 1 1 A 83 83 VAL HA H 83 4.553 4.746 -0.193 1
1 920 . 11 1 1 A 83 83 VAL CB C 83 33.233 32.859 0.374 1
1 930 . 11 1 1 A 83 83 VAL C C 83 173.327 175.407 -2.080 1
1 931 . 11 1 1 A 84 84 LYS N N 84 124.405 126.814 -2.409 1
1 932 . 11 1 1 A 84 84 LYS H H 84 8.874 8.987 -0.113 1
1 933 . 11 1 1 A 84 84 LYS CA C 84 53.901 54.222 -0.321 1
1 934 . 11 1 1 A 84 84 LYS HA H 84 5.065 5.280 -0.215 1
1 935 . 11 1 1 A 84 84 LYS CB C 84 36.851 36.002 0.849 1
1 943 . 11 1 1 A 84 84 LYS C C 84 174.760 174.929 -0.169 1
1 948 . 11 1 1 A 85 85 PHE N N 85 120.871 123.789 -2.918 1
1 949 . 11 1 1 A 85 85 PHE H H 85 9.167 9.242 -0.075 1
1 950 . 11 1 1 A 85 85 PHE CA C 85 56.014 57.505 -1.491 1
1 951 . 11 1 1 A 85 85 PHE HA H 85 5.157 4.949 0.208 1
1 952 . 11 1 1 A 85 85 PHE CB C 85 42.916 41.496 1.420 1
1 964 . 11 1 1 A 85 85 PHE C C 85 175.473 174.873 0.600 1
1 966 . 11 1 1 A 86 86 ASN N N 86 126.732 125.239 1.493 1
1 967 . 11 1 1 A 86 86 ASN H H 86 8.714 9.161 -0.447 1
1 968 . 11 1 1 A 86 86 ASN CA C 86 53.835 54.031 -0.196 1
1 969 . 11 1 1 A 86 86 ASN HA H 86 4.216 4.310 -0.094 1
1 970 . 11 1 1 A 86 86 ASN CB C 86 36.789 37.392 -0.603 1
1 975 . 11 1 1 A 86 86 ASN C C 86 175.700 174.710 0.990 1
1 977 . 11 1 1 A 87 87 GLY N N 87 102.449 105.257 -2.808 1
1 978 . 11 1 1 A 87 87 GLY H H 87 8.986 8.621 0.365 1
1 979 . 11 1 1 A 87 87 GLY CA C 87 45.490 46.563 -1.073 1
1 980 . 11 1 1 A 87 87 GLY HA3 H 87 4.223 3.933 0.290 1
1 981 . 11 1 1 A 87 87 GLY C C 87 174.149 173.518 0.631 1
1 982 . 11 1 1 A 87 87 GLY HA2 H 87 3.555 3.927 -0.372 1
1 983 . 11 1 1 A 88 88 SER N N 88 116.260 113.629 2.631 1
1 984 . 11 1 1 A 88 88 SER H H 88 7.670 7.737 -0.067 1
1 985 . 11 1 1 A 88 88 SER CA C 88 57.194 57.583 -0.389 1
1 986 . 11 1 1 A 88 88 SER HA H 88 4.935 4.804 0.131 1
1 987 . 11 1 1 A 88 88 SER CB C 88 65.421 65.774 -0.353 1
1 989 . 11 1 1 A 88 88 SER C C 88 173.491 173.157 0.334 1
1 991 . 11 1 1 A 89 89 HIS N N 89 124.290 124.277 0.013 1
1 992 . 11 1 1 A 89 89 HIS H H 89 8.847 8.977 -0.130 1
1 993 . 11 1 1 A 89 89 HIS CA C 89 59.048 55.923 3.125 1
1 994 . 11 1 1 A 89 89 HIS HA H 89 4.543 4.995 -0.452 1
1 995 . 11 1 1 A 89 89 HIS CB C 89 32.463 29.678 2.785 1
1 1001 . 11 1 1 A 89 89 HIS C C 89 177.441 175.508 1.933 1
1 1003 . 11 1 1 A 90 90 VAL N N 90 116.253 122.383 -6.130 1
1 1004 . 11 1 1 A 90 90 VAL H H 90 8.283 7.947 0.336 1
1 1005 . 11 1 1 A 90 90 VAL CA C 90 60.279 62.348 -2.069 1
1 1006 . 11 1 1 A 90 90 VAL HA H 90 4.291 3.977 0.314 1
1 1007 . 11 1 1 A 90 90 VAL CB C 90 31.601 33.179 -1.578 1
1 1017 . 11 1 1 A 90 90 VAL C C 90 176.074 175.642 0.432 1
1 1018 . 11 1 1 A 91 91 VAL N N 91 123.139 120.069 3.070 1
1 1019 . 11 1 1 A 91 91 VAL H H 91 8.910 8.417 0.493 1
1 1020 . 11 1 1 A 91 91 VAL CA C 91 66.030 63.250 2.780 1
1 1021 . 11 1 1 A 91 91 VAL HA H 91 3.632 3.899 -0.267 1
1 1022 . 11 1 1 A 91 91 VAL CB C 91 30.897 31.503 -0.606 1
1 1032 . 11 1 1 A 91 91 VAL C C 91 177.012 176.176 0.836 1
1 1033 . 11 1 1 A 92 92 GLY N N 92 116.727 114.352 2.375 1
1 1034 . 11 1 1 A 92 92 GLY H H 92 8.396 8.837 -0.441 1
1 1035 . 11 1 1 A 92 92 GLY CA C 92 44.466 46.400 -1.934 1
1 1036 . 11 1 1 A 92 92 GLY HA3 H 92 4.180 3.744 0.436 1
1 1037 . 11 1 1 A 92 92 GLY C C 92 172.077 173.110 -1.033 1
1 1038 . 11 1 1 A 92 92 GLY HA2 H 92 3.221 3.706 -0.485 1
1 1039 . 11 1 1 A 93 93 SER N N 93 112.885 114.477 -1.592 1
1 1040 . 11 1 1 A 93 93 SER H H 93 7.484 7.556 -0.072 1
1 1041 . 11 1 1 A 93 93 SER CA C 93 54.547 54.583 -0.036 1
1 1042 . 11 1 1 A 93 93 SER HA H 93 4.065 4.282 -0.217 1
1 1043 . 11 1 1 A 93 93 SER CB C 93 62.575 65.782 -3.207 1
1 1045 . 11 1 1 A 93 93 SER C C 93 174.608 172.054 2.554 1
1 1047 . 11 1 1 A 94 94 PRO CA C 94 62.477 62.174 0.303 1
1 1048 . 11 1 1 A 94 94 PRO HA H 94 5.491 4.515 0.976 1
1 1049 . 11 1 1 A 94 94 PRO CB C 94 34.106 32.908 1.198 1
1 1055 . 11 1 1 A 94 94 PRO C C 94 176.779 174.987 1.792 1
1 1059 . 11 1 1 A 95 95 PHE N N 95 123.133 119.409 3.724 1
1 1060 . 11 1 1 A 95 95 PHE H H 95 9.200 8.253 0.947 1
1 1061 . 11 1 1 A 95 95 PHE CA C 95 57.291 56.645 0.646 1
1 1062 . 11 1 1 A 95 95 PHE HA H 95 4.581 5.116 -0.535 1
1 1063 . 11 1 1 A 95 95 PHE CB C 95 41.165 42.340 -1.175 1
1 1075 . 11 1 1 A 95 95 PHE C C 95 175.687 174.428 1.259 1
1 1077 . 11 1 1 A 96 96 LYS N N 96 122.134 118.955 3.179 1
1 1078 . 11 1 1 A 96 96 LYS H H 96 8.790 9.063 -0.273 1
1 1079 . 11 1 1 A 96 96 LYS CA C 96 55.249 54.861 0.388 1
1 1080 . 11 1 1 A 96 96 LYS HA H 96 5.276 5.178 0.098 1
1 1081 . 11 1 1 A 96 96 LYS CB C 96 33.836 35.261 -1.425 1
1 1089 . 11 1 1 A 96 96 LYS C C 96 176.515 174.830 1.685 1
1 1094 . 11 1 1 A 97 97 VAL N N 97 117.706 119.006 -1.300 1
1 1095 . 11 1 1 A 97 97 VAL H H 97 8.873 8.651 0.222 1
1 1096 . 11 1 1 A 97 97 VAL CA C 97 59.188 58.827 0.361 1
1 1097 . 11 1 1 A 97 97 VAL HA H 97 4.917 5.151 -0.234 1
1 1098 . 11 1 1 A 97 97 VAL CB C 97 35.185 36.306 -1.121 1
1 1108 . 11 1 1 A 97 97 VAL C C 97 173.801 173.409 0.392 1
1 1109 . 11 1 1 A 98 98 ARG N N 98 125.203 121.614 3.589 1
1 1110 . 11 1 1 A 98 98 ARG H H 98 8.826 8.958 -0.132 1
1 1111 . 11 1 1 A 98 98 ARG CA C 98 56.337 54.611 1.726 1
1 1112 . 11 1 1 A 98 98 ARG HA H 98 4.610 5.164 -0.554 1
1 1113 . 11 1 1 A 98 98 ARG CB C 98 32.031 34.097 -2.066 1
1 1119 . 11 1 1 A 98 98 ARG C C 98 174.438 174.387 0.051 1
1 1123 . 11 1 1 A 99 99 VAL N N 99 127.382 126.653 0.729 1
1 1124 . 11 1 1 A 99 99 VAL H H 99 8.144 9.007 -0.863 1
1 1125 . 11 1 1 A 99 99 VAL CA C 99 61.216 61.907 -0.691 1
1 1126 . 11 1 1 A 99 99 VAL HA H 99 4.115 4.604 -0.489 1
1 1127 . 11 1 1 A 99 99 VAL CB C 99 32.590 33.160 -0.570 1
1 1137 . 11 1 1 A 99 99 VAL C C 99 176.994 174.880 2.114 1
1 1138 . 11 1 1 A 100 100 GLY N N 100 117.424 113.155 4.269 1
1 1139 . 11 1 1 A 100 100 GLY H H 100 8.682 8.532 0.150 1
1 1140 . 11 1 1 A 100 100 GLY CA C 100 44.650 45.558 -0.908 1
1 1141 . 11 1 1 A 100 100 GLY HA3 H 100 4.386 4.165 0.221 1
1 1142 . 11 1 1 A 100 100 GLY C C 100 173.180 173.138 0.042 1
1 1143 . 11 1 1 A 100 100 GLY HA2 H 100 3.954 4.163 -0.209 1
1 1144 . 11 1 1 A 101 101 GLU N N 101 119.495 122.891 -3.396 1
1 1145 . 11 1 1 A 101 101 GLU H H 101 8.383 8.652 -0.269 1
1 1146 . 11 1 1 A 101 101 GLU CA C 101 54.168 55.157 -0.989 1
1 1147 . 11 1 1 A 101 101 GLU HA H 101 4.661 4.398 0.263 1
1 1148 . 11 1 1 A 101 101 GLU CB C 101 29.836 29.748 0.088 1
1 1152 . 11 1 1 A 101 101 GLU C C 101 175.458 175.839 -0.381 1
1 1155 . 11 1 1 A 102 102 PRO CA C 102 63.897 63.469 0.428 1
1 1156 . 11 1 1 A 102 102 PRO HA H 102 4.361 4.754 -0.393 1
1 1157 . 11 1 1 A 102 102 PRO CB C 102 31.946 31.649 0.297 1
1 1163 . 11 1 1 A 102 102 PRO C C 102 177.509 176.270 1.239 1
1 1167 . 11 1 1 A 103 103 GLY N N 103 109.378 108.319 1.059 1
1 1168 . 11 1 1 A 103 103 GLY H H 103 8.552 8.021 0.531 1
1 1169 . 11 1 1 A 103 103 GLY CA C 103 45.263 45.993 -0.730 1
1 1170 . 11 1 1 A 103 103 GLY HA3 H 103 3.962 4.214 -0.252 1
1 1171 . 11 1 1 A 103 103 GLY C C 103 174.277 173.779 0.498 1
1 1172 . 11 1 1 A 103 103 GLY HA2 H 103 3.962 4.214 -0.252 1
1 1173 . 11 1 1 A 104 104 GLN N N 104 119.735 120.294 -0.559 1
1 1174 . 11 1 1 A 104 104 GLN H H 104 8.096 8.878 -0.782 1
1 1175 . 11 1 1 A 104 104 GLN CA C 104 55.924 57.269 -1.345 1
1 1176 . 11 1 1 A 104 104 GLN HA H 104 4.339 4.490 -0.151 1
1 1177 . 11 1 1 A 104 104 GLN CB C 104 29.622 30.666 -1.044 1
1 1184 . 11 1 1 A 104 104 GLN C C 104 175.669 175.582 0.087 1
1 1187 . 11 1 1 A 105 105 ALA N N 105 125.603 120.549 5.054 1
1 1188 . 11 1 1 A 105 105 ALA H H 105 8.389 8.148 0.241 1
1 1189 . 11 1 1 A 105 105 ALA CA C 105 52.416 53.230 -0.814 1
1 1190 . 11 1 1 A 105 105 ALA HA H 105 4.385 3.920 0.465 1
1 1191 . 11 1 1 A 105 105 ALA CB C 105 19.608 18.044 1.564 1
1 1195 . 11 1 1 A 105 105 ALA C C 105 176.971 176.694 0.277 1
1 1 . 12 1 1 A 8 8 SER CA C 8 59.066 58.859 0.207 1
1 2 . 12 1 1 A 8 8 SER HA H 8 4.444 4.666 -0.222 1
1 3 . 12 1 1 A 8 8 SER CB C 8 63.749 63.700 0.049 1
1 5 . 12 1 1 A 8 8 SER C C 8 174.832 174.372 0.460 1
1 7 . 12 1 1 A 9 9 ASP N N 9 122.244 123.617 -1.373 1
1 8 . 12 1 1 A 9 9 ASP H H 9 8.460 8.753 -0.293 1
1 9 . 12 1 1 A 9 9 ASP CA C 9 54.943 53.468 1.475 1
1 10 . 12 1 1 A 9 9 ASP HA H 9 4.730 4.979 -0.249 1
1 11 . 12 1 1 A 9 9 ASP CB C 9 41.125 42.839 -1.714 1
1 13 . 12 1 1 A 9 9 ASP C C 9 176.845 176.158 0.687 1
1 15 . 12 1 1 A 10 10 ASP N N 10 120.929 120.077 0.852 1
1 16 . 12 1 1 A 10 10 ASP H H 10 8.121 8.886 -0.765 1
1 17 . 12 1 1 A 10 10 ASP CA C 10 55.841 53.881 1.960 1
1 18 . 12 1 1 A 10 10 ASP HA H 10 4.523 4.896 -0.373 1
1 19 . 12 1 1 A 10 10 ASP CB C 10 41.834 41.094 0.740 1
1 21 . 12 1 1 A 10 10 ASP C C 10 177.047 176.498 0.549 1
1 23 . 12 1 1 A 11 11 ALA N N 11 122.815 122.421 0.394 1
1 24 . 12 1 1 A 11 11 ALA H H 11 8.520 8.034 0.486 1
1 25 . 12 1 1 A 11 11 ALA CA C 11 54.828 55.408 -0.580 1
1 26 . 12 1 1 A 11 11 ALA HA H 11 4.004 3.929 0.075 1
1 27 . 12 1 1 A 11 11 ALA CB C 11 19.454 18.372 1.082 1
1 31 . 12 1 1 A 11 11 ALA C C 11 179.280 179.924 -0.644 1
1 32 . 12 1 1 A 12 12 ARG N N 12 115.782 117.578 -1.796 1
1 33 . 12 1 1 A 12 12 ARG H H 12 8.159 8.087 0.072 1
1 34 . 12 1 1 A 12 12 ARG CA C 12 57.578 59.383 -1.805 1
1 35 . 12 1 1 A 12 12 ARG HA H 12 4.310 4.033 0.277 1
1 36 . 12 1 1 A 12 12 ARG CB C 12 29.817 29.776 0.041 1
1 42 . 12 1 1 A 12 12 ARG C C 12 176.412 178.955 -2.543 1
1 46 . 12 1 1 A 13 13 ARG N N 13 117.438 119.419 -1.981 1
1 47 . 12 1 1 A 13 13 ARG H H 13 7.858 7.805 0.053 1
1 48 . 12 1 1 A 13 13 ARG CA C 13 56.855 58.885 -2.030 1
1 49 . 12 1 1 A 13 13 ARG HA H 13 4.183 4.053 0.130 1
1 50 . 12 1 1 A 13 13 ARG CB C 13 30.976 29.775 1.201 1
1 56 . 12 1 1 A 13 13 ARG C C 13 176.451 177.382 -0.931 1
1 60 . 12 1 1 A 14 14 LEU N N 14 121.077 120.667 0.410 1
1 61 . 12 1 1 A 14 14 LEU H H 14 6.925 7.081 -0.156 1
1 62 . 12 1 1 A 14 14 LEU CA C 14 56.582 55.663 0.919 1
1 63 . 12 1 1 A 14 14 LEU HA H 14 4.394 4.037 0.357 1
1 64 . 12 1 1 A 14 14 LEU CB C 14 42.968 42.302 0.666 1
1 76 . 12 1 1 A 14 14 LEU C C 14 177.296 176.527 0.769 1
1 78 . 12 1 1 A 15 15 THR N N 15 115.028 116.504 -1.476 1
1 79 . 12 1 1 A 15 15 THR H H 15 8.716 8.626 0.090 1
1 80 . 12 1 1 A 15 15 THR CA C 15 61.169 61.660 -0.491 1
1 81 . 12 1 1 A 15 15 THR HA H 15 4.667 5.020 -0.353 1
1 82 . 12 1 1 A 15 15 THR CB C 15 71.348 71.602 -0.254 1
1 88 . 12 1 1 A 15 15 THR C C 15 173.454 173.044 0.410 1
1 89 . 12 1 1 A 16 16 VAL N N 16 126.736 126.894 -0.158 1
1 90 . 12 1 1 A 16 16 VAL H H 16 8.727 8.759 -0.032 1
1 91 . 12 1 1 A 16 16 VAL CA C 16 62.600 61.504 1.096 1
1 92 . 12 1 1 A 16 16 VAL HA H 16 4.539 4.478 0.061 1
1 93 . 12 1 1 A 16 16 VAL CB C 16 32.521 32.304 0.217 1
1 103 . 12 1 1 A 16 16 VAL C C 16 175.348 175.152 0.196 1
1 104 . 12 1 1 A 17 17 MET N N 17 126.444 124.636 1.808 1
1 105 . 12 1 1 A 17 17 MET H H 17 9.255 8.808 0.447 1
1 106 . 12 1 1 A 17 17 MET CA C 17 54.872 54.080 0.792 1
1 107 . 12 1 1 A 17 17 MET HA H 17 4.806 5.036 -0.230 1
1 108 . 12 1 1 A 17 17 MET CB C 17 35.443 35.988 -0.545 1
1 116 . 12 1 1 A 17 17 MET C C 17 174.681 175.473 -0.792 1
1 119 . 12 1 1 A 18 18 SER N N 18 112.443 112.829 -0.386 1
1 120 . 12 1 1 A 18 18 SER H H 18 8.568 8.453 0.115 1
1 121 . 12 1 1 A 18 18 SER CA C 18 58.711 58.600 0.111 1
1 122 . 12 1 1 A 18 18 SER HA H 18 4.018 3.983 0.035 1
1 123 . 12 1 1 A 18 18 SER CB C 18 62.009 61.770 0.239 1
1 125 . 12 1 1 A 18 18 SER C C 18 173.373 172.974 0.399 1
1 127 . 12 1 1 A 19 19 LEU N N 19 122.011 121.521 0.490 1
1 128 . 12 1 1 A 19 19 LEU H H 19 7.996 7.694 0.302 1
1 129 . 12 1 1 A 19 19 LEU CA C 19 54.978 53.841 1.137 1
1 130 . 12 1 1 A 19 19 LEU HA H 19 4.283 4.752 -0.469 1
1 131 . 12 1 1 A 19 19 LEU CB C 19 41.955 43.327 -1.372 1
1 143 . 12 1 1 A 19 19 LEU C C 19 176.135 175.591 0.544 1
1 145 . 12 1 1 A 20 20 GLN N N 20 127.739 127.177 0.562 1
1 146 . 12 1 1 A 20 20 GLN H H 20 8.669 8.644 0.025 1
1 147 . 12 1 1 A 20 20 GLN CA C 20 55.617 55.361 0.256 1
1 148 . 12 1 1 A 20 20 GLN HA H 20 4.400 4.397 0.003 1
1 149 . 12 1 1 A 20 20 GLN CB C 20 29.298 28.366 0.932 1
1 156 . 12 1 1 A 20 20 GLN C C 20 175.033 176.325 -1.292 1
1 159 . 12 1 1 A 21 21 GLU N N 21 121.152 127.905 -6.753 1
1 160 . 12 1 1 A 21 21 GLU H H 21 8.546 8.914 -0.368 1
1 161 . 12 1 1 A 21 21 GLU CA C 21 57.598 58.384 -0.786 1
1 162 . 12 1 1 A 21 21 GLU HA H 21 4.310 4.270 0.040 1
1 163 . 12 1 1 A 21 21 GLU CB C 21 30.764 30.465 0.299 1
1 167 . 12 1 1 A 21 21 GLU C C 21 176.581 177.307 -0.726 1
1 170 . 12 1 1 A 22 22 SER N N 22 113.328 111.466 1.862 1
1 171 . 12 1 1 A 22 22 SER H H 22 8.018 7.941 0.077 1
1 172 . 12 1 1 A 22 22 SER CA C 22 57.682 57.016 0.666 1
1 173 . 12 1 1 A 22 22 SER HA H 22 4.997 4.725 0.272 1
1 174 . 12 1 1 A 22 22 SER CB C 22 64.489 63.673 0.816 1
1 176 . 12 1 1 A 22 22 SER C C 22 174.062 175.458 -1.396 1
1 178 . 12 1 1 A 23 23 GLY N N 23 109.317 109.436 -0.119 1
1 179 . 12 1 1 A 23 23 GLY H H 23 8.828 7.854 0.974 1
1 180 . 12 1 1 A 23 23 GLY CA C 23 45.609 45.517 0.092 1
1 181 . 12 1 1 A 23 23 GLY HA3 H 23 4.116 4.075 0.041 1
1 182 . 12 1 1 A 23 23 GLY C C 23 174.629 174.131 0.498 1
1 183 . 12 1 1 A 23 23 GLY HA2 H 23 3.832 4.074 -0.242 1
1 184 . 12 1 1 A 24 24 LEU N N 24 120.545 121.132 -0.587 1
1 185 . 12 1 1 A 24 24 LEU H H 24 7.559 7.246 0.313 1
1 186 . 12 1 1 A 24 24 LEU CA C 24 55.569 55.295 0.274 1
1 187 . 12 1 1 A 24 24 LEU HA H 24 4.310 4.183 0.127 1
1 188 . 12 1 1 A 24 24 LEU CB C 24 42.978 42.059 0.919 1
1 200 . 12 1 1 A 24 24 LEU C C 24 176.704 175.925 0.779 1
1 202 . 12 1 1 A 25 25 LYS N N 25 122.188 122.134 0.054 1
1 203 . 12 1 1 A 25 25 LYS H H 25 8.828 8.758 0.070 1
1 204 . 12 1 1 A 25 25 LYS CA C 25 54.686 54.710 -0.024 1
1 205 . 12 1 1 A 25 25 LYS HA H 25 4.676 4.818 -0.142 1
1 206 . 12 1 1 A 25 25 LYS CB C 25 35.736 35.010 0.726 1
1 214 . 12 1 1 A 25 25 LYS C C 25 175.885 176.365 -0.480 1
1 219 . 12 1 1 A 26 26 VAL N N 26 121.689 125.140 -3.451 1
1 220 . 12 1 1 A 26 26 VAL H H 26 8.503 8.543 -0.040 1
1 221 . 12 1 1 A 26 26 VAL CA C 26 64.069 62.150 1.919 1
1 222 . 12 1 1 A 26 26 VAL HA H 26 3.218 4.113 -0.895 1
1 223 . 12 1 1 A 26 26 VAL CB C 26 31.636 32.379 -0.743 1
1 233 . 12 1 1 A 26 26 VAL C C 26 175.837 175.693 0.144 1
1 234 . 12 1 1 A 27 27 ASN N N 27 116.772 118.723 -1.951 1
1 235 . 12 1 1 A 27 27 ASN H H 27 8.682 9.092 -0.410 1
1 236 . 12 1 1 A 27 27 ASN CA C 27 55.183 54.306 0.877 1
1 237 . 12 1 1 A 27 27 ASN HA H 27 4.138 4.320 -0.182 1
1 238 . 12 1 1 A 27 27 ASN CB C 27 37.242 37.239 0.003 1
1 243 . 12 1 1 A 27 27 ASN C C 27 173.308 173.856 -0.548 1
1 245 . 12 1 1 A 28 28 GLN N N 28 118.793 117.050 1.743 1
1 246 . 12 1 1 A 28 28 GLN H H 28 7.544 7.623 -0.079 1
1 247 . 12 1 1 A 28 28 GLN CA C 28 52.212 53.016 -0.804 1
1 248 . 12 1 1 A 28 28 GLN HA H 28 4.893 4.661 0.232 1
1 249 . 12 1 1 A 28 28 GLN CB C 28 30.060 31.966 -1.906 1
1 256 . 12 1 1 A 28 28 GLN C C 28 173.078 173.025 0.053 1
1 259 . 12 1 1 A 29 29 PRO CA C 29 63.563 62.735 0.828 1
1 260 . 12 1 1 A 29 29 PRO HA H 29 4.294 4.623 -0.329 1
1 261 . 12 1 1 A 29 29 PRO CB C 29 31.874 31.663 0.211 1
1 267 . 12 1 1 A 29 29 PRO C C 29 175.250 175.791 -0.541 1
1 271 . 12 1 1 A 30 30 ALA N N 30 128.803 126.434 2.369 1
1 272 . 12 1 1 A 30 30 ALA H H 30 8.887 8.510 0.377 1
1 273 . 12 1 1 A 30 30 ALA CA C 30 50.558 50.372 0.186 1
1 274 . 12 1 1 A 30 30 ALA HA H 30 4.539 4.998 -0.459 1
1 275 . 12 1 1 A 30 30 ALA CB C 30 21.602 22.267 -0.665 1
1 279 . 12 1 1 A 30 30 ALA C C 30 175.510 175.655 -0.145 1
1 280 . 12 1 1 A 31 31 SER N N 31 112.512 114.578 -2.066 1
1 281 . 12 1 1 A 31 31 SER H H 31 8.214 8.812 -0.598 1
1 282 . 12 1 1 A 31 31 SER CA C 31 56.701 56.830 -0.129 1
1 283 . 12 1 1 A 31 31 SER HA H 31 5.832 5.700 0.132 1
1 284 . 12 1 1 A 31 31 SER CB C 31 66.721 66.855 -0.134 1
1 286 . 12 1 1 A 31 31 SER C C 31 173.379 173.462 -0.083 1
1 288 . 12 1 1 A 32 32 PHE N N 32 119.232 117.640 1.592 1
1 289 . 12 1 1 A 32 32 PHE H H 32 8.798 8.192 0.606 1
1 290 . 12 1 1 A 32 32 PHE CA C 32 56.218 55.734 0.484 1
1 291 . 12 1 1 A 32 32 PHE HA H 32 4.925 5.359 -0.434 1
1 292 . 12 1 1 A 32 32 PHE CB C 32 39.752 41.945 -2.193 1
1 304 . 12 1 1 A 32 32 PHE C C 32 172.709 172.275 0.434 1
1 306 . 12 1 1 A 33 33 ALA N N 33 122.788 122.321 0.467 1
1 307 . 12 1 1 A 33 33 ALA H H 33 8.827 8.283 0.544 1
1 308 . 12 1 1 A 33 33 ALA CA C 33 50.616 50.501 0.115 1
1 309 . 12 1 1 A 33 33 ALA HA H 33 5.654 5.422 0.232 1
1 310 . 12 1 1 A 33 33 ALA CB C 33 22.616 21.460 1.156 1
1 314 . 12 1 1 A 33 33 ALA C C 33 175.770 176.474 -0.704 1
1 315 . 12 1 1 A 34 34 ILE N N 34 118.542 121.161 -2.619 1
1 316 . 12 1 1 A 34 34 ILE H H 34 9.194 8.728 0.466 1
1 317 . 12 1 1 A 34 34 ILE CA C 34 59.486 60.285 -0.799 1
1 318 . 12 1 1 A 34 34 ILE HA H 34 4.978 4.675 0.303 1
1 319 . 12 1 1 A 34 34 ILE CB C 34 42.577 40.688 1.889 1
1 331 . 12 1 1 A 34 34 ILE C C 34 174.924 174.299 0.625 1
1 333 . 12 1 1 A 35 35 ARG N N 35 126.774 128.713 -1.939 1
1 334 . 12 1 1 A 35 35 ARG H H 35 9.038 9.054 -0.016 1
1 335 . 12 1 1 A 35 35 ARG CA C 35 54.096 55.821 -1.725 1
1 336 . 12 1 1 A 35 35 ARG HA H 35 5.283 4.761 0.522 1
1 337 . 12 1 1 A 35 35 ARG CB C 35 32.039 31.507 0.532 1
1 343 . 12 1 1 A 35 35 ARG C C 35 175.959 175.020 0.939 1
1 347 . 12 1 1 A 36 36 LEU N N 36 123.887 127.036 -3.149 1
1 348 . 12 1 1 A 36 36 LEU H H 36 8.648 8.682 -0.034 1
1 349 . 12 1 1 A 36 36 LEU CA C 36 56.318 53.514 2.804 1
1 350 . 12 1 1 A 36 36 LEU HA H 36 4.037 4.834 -0.797 1
1 351 . 12 1 1 A 36 36 LEU CB C 36 41.028 43.190 -2.162 1
1 363 . 12 1 1 A 36 36 LEU C C 36 177.292 176.513 0.779 1
1 365 . 12 1 1 A 37 37 ASN N N 37 115.087 122.420 -7.333 1
1 366 . 12 1 1 A 37 37 ASN H H 37 8.594 8.945 -0.351 1
1 367 . 12 1 1 A 37 37 ASN CA C 37 54.182 53.138 1.044 1
1 368 . 12 1 1 A 37 37 ASN HA H 37 4.407 4.815 -0.408 1
1 369 . 12 1 1 A 37 37 ASN CB C 37 37.687 38.618 -0.931 1
1 374 . 12 1 1 A 37 37 ASN C C 37 176.277 175.603 0.674 1
1 376 . 12 1 1 A 38 38 GLY N N 38 106.329 107.732 -1.403 1
1 377 . 12 1 1 A 38 38 GLY H H 38 9.506 7.872 1.634 1
1 378 . 12 1 1 A 38 38 GLY CA C 38 45.290 45.475 -0.185 1
1 379 . 12 1 1 A 38 38 GLY HA3 H 38 4.156 4.010 0.146 1
1 380 . 12 1 1 A 38 38 GLY C C 38 174.483 174.111 0.372 1
1 381 . 12 1 1 A 38 38 GLY HA2 H 38 3.617 3.999 -0.382 1
1 382 . 12 1 1 A 39 39 ALA N N 39 124.015 122.926 1.089 1
1 383 . 12 1 1 A 39 39 ALA H H 39 7.483 7.786 -0.303 1
1 384 . 12 1 1 A 39 39 ALA CA C 39 52.396 50.741 1.655 1
1 385 . 12 1 1 A 39 39 ALA HA H 39 4.280 4.519 -0.239 1
1 386 . 12 1 1 A 39 39 ALA CB C 39 20.424 20.387 0.037 1
1 390 . 12 1 1 A 39 39 ALA C C 39 176.275 176.933 -0.658 1
1 391 . 12 1 1 A 40 40 LYS N N 40 119.513 120.481 -0.968 1
1 392 . 12 1 1 A 40 40 LYS H H 40 8.685 8.988 -0.303 1
1 393 . 12 1 1 A 40 40 LYS CA C 40 54.696 54.712 -0.016 1
1 394 . 12 1 1 A 40 40 LYS HA H 40 4.811 5.334 -0.523 1
1 395 . 12 1 1 A 40 40 LYS CB C 40 34.324 35.471 -1.147 1
1 403 . 12 1 1 A 40 40 LYS C C 40 176.004 175.422 0.582 1
1 408 . 12 1 1 A 41 41 GLY N N 41 111.941 107.442 4.499 1
1 409 . 12 1 1 A 41 41 GLY H H 41 8.398 8.441 -0.043 1
1 410 . 12 1 1 A 41 41 GLY CA C 41 45.887 45.991 -0.104 1
1 411 . 12 1 1 A 41 41 GLY HA3 H 41 3.722 4.160 -0.438 1
1 412 . 12 1 1 A 41 41 GLY C C 41 171.021 171.318 -0.297 1
1 413 . 12 1 1 A 41 41 GLY HA2 H 41 3.722 3.986 -0.264 1
1 414 . 12 1 1 A 42 42 LYS N N 42 119.600 120.208 -0.608 1
1 415 . 12 1 1 A 42 42 LYS H H 42 7.293 7.479 -0.186 1
1 416 . 12 1 1 A 42 42 LYS CA C 42 54.522 55.284 -0.762 1
1 417 . 12 1 1 A 42 42 LYS HA H 42 4.467 4.763 -0.296 1
1 418 . 12 1 1 A 42 42 LYS CB C 42 34.979 36.061 -1.082 1
1 426 . 12 1 1 A 42 42 LYS C C 42 175.675 173.721 1.954 1
1 431 . 12 1 1 A 43 43 ILE N N 43 127.421 127.792 -0.371 1
1 432 . 12 1 1 A 43 43 ILE H H 43 8.706 8.937 -0.231 1
1 433 . 12 1 1 A 43 43 ILE CA C 43 60.336 60.016 0.320 1
1 434 . 12 1 1 A 43 43 ILE HA H 43 4.695 4.843 -0.148 1
1 435 . 12 1 1 A 43 43 ILE CB C 43 39.322 39.075 0.247 1
1 447 . 12 1 1 A 43 43 ILE C C 43 174.542 173.934 0.608 1
1 449 . 12 1 1 A 44 44 ASP N N 44 127.995 128.562 -0.567 1
1 450 . 12 1 1 A 44 44 ASP H H 44 8.861 8.863 -0.002 1
1 451 . 12 1 1 A 44 44 ASP CA C 44 53.245 52.724 0.521 1
1 452 . 12 1 1 A 44 44 ASP HA H 44 4.817 5.441 -0.624 1
1 453 . 12 1 1 A 44 44 ASP CB C 44 44.577 44.747 -0.170 1
1 455 . 12 1 1 A 44 44 ASP C C 44 173.768 174.348 -0.580 1
1 457 . 12 1 1 A 45 45 ALA N N 45 127.601 127.660 -0.059 1
1 458 . 12 1 1 A 45 45 ALA H H 45 8.819 8.953 -0.134 1
1 459 . 12 1 1 A 45 45 ALA CA C 45 50.180 51.573 -1.393 1
1 460 . 12 1 1 A 45 45 ALA HA H 45 5.859 5.466 0.393 1
1 461 . 12 1 1 A 45 45 ALA CB C 45 21.379 21.289 0.090 1
1 465 . 12 1 1 A 45 45 ALA C C 45 175.393 175.948 -0.555 1
1 466 . 12 1 1 A 46 46 LYS N N 46 122.427 123.466 -1.039 1
1 467 . 12 1 1 A 46 46 LYS H H 46 8.723 9.022 -0.299 1
1 468 . 12 1 1 A 46 46 LYS CA C 46 55.090 54.529 0.561 1
1 469 . 12 1 1 A 46 46 LYS HA H 46 5.057 5.030 0.027 1
1 470 . 12 1 1 A 46 46 LYS CB C 46 37.534 36.040 1.494 1
1 478 . 12 1 1 A 46 46 LYS C C 46 173.473 174.672 -1.199 1
1 483 . 12 1 1 A 47 47 VAL N N 47 120.177 122.666 -2.489 1
1 484 . 12 1 1 A 47 47 VAL H H 47 8.989 9.167 -0.178 1
1 485 . 12 1 1 A 47 47 VAL CA C 47 59.152 60.570 -1.418 1
1 486 . 12 1 1 A 47 47 VAL HA H 47 4.875 4.731 0.144 1
1 487 . 12 1 1 A 47 47 VAL CB C 47 34.502 33.605 0.897 1
1 497 . 12 1 1 A 47 47 VAL C C 47 173.786 174.262 -0.476 1
1 498 . 12 1 1 A 48 48 HIS N N 48 127.949 128.768 -0.819 1
1 499 . 12 1 1 A 48 48 HIS H H 48 9.661 9.235 0.426 1
1 500 . 12 1 1 A 48 48 HIS CA C 48 53.917 56.173 -2.256 1
1 501 . 12 1 1 A 48 48 HIS HA H 48 5.238 5.145 0.093 1
1 502 . 12 1 1 A 48 48 HIS CB C 48 30.549 32.066 -1.517 1
1 508 . 12 1 1 A 48 48 HIS C C 48 175.556 175.089 0.467 1
1 510 . 12 1 1 A 49 49 SER N N 49 121.639 115.368 6.271 1
1 511 . 12 1 1 A 49 49 SER H H 49 9.114 8.774 0.340 1
1 512 . 12 1 1 A 49 49 SER CA C 49 56.693 55.182 1.511 1
1 513 . 12 1 1 A 49 49 SER HA H 49 4.391 5.166 -0.775 1
1 514 . 12 1 1 A 49 49 SER CB C 49 63.160 64.444 -1.284 1
1 516 . 12 1 1 A 49 49 SER C C 49 174.390 174.109 0.281 1
1 518 . 12 1 1 A 50 50 PRO CA C 50 65.732 64.148 1.584 1
1 519 . 12 1 1 A 50 50 PRO HA H 50 4.247 4.539 -0.292 1
1 520 . 12 1 1 A 50 50 PRO CB C 50 31.516 31.569 -0.053 1
1 526 . 12 1 1 A 50 50 PRO C C 50 177.969 177.003 0.966 1
1 530 . 12 1 1 A 51 51 SER N N 51 110.808 110.490 0.318 1
1 531 . 12 1 1 A 51 51 SER H H 51 8.539 7.442 1.097 1
1 532 . 12 1 1 A 51 51 SER CA C 51 59.311 57.942 1.369 1
1 533 . 12 1 1 A 51 51 SER HA H 51 4.331 4.522 -0.191 1
1 534 . 12 1 1 A 51 51 SER CB C 51 62.767 63.490 -0.723 1
1 536 . 12 1 1 A 51 51 SER C C 51 175.339 175.297 0.042 1
1 538 . 12 1 1 A 52 52 GLY N N 52 110.692 111.083 -0.391 1
1 539 . 12 1 1 A 52 52 GLY H H 52 8.181 7.878 0.303 1
1 540 . 12 1 1 A 52 52 GLY CA C 52 44.862 46.116 -1.254 1
1 541 . 12 1 1 A 52 52 GLY HA3 H 52 4.444 4.004 0.440 1
1 542 . 12 1 1 A 52 52 GLY C C 52 174.389 174.320 0.069 1
1 543 . 12 1 1 A 52 52 GLY HA2 H 52 3.634 3.988 -0.354 1
1 544 . 12 1 1 A 53 53 ALA N N 53 124.417 122.391 2.026 1
1 545 . 12 1 1 A 53 53 ALA H H 53 7.419 7.522 -0.103 1
1 546 . 12 1 1 A 53 53 ALA CA C 53 52.538 50.526 2.012 1
1 547 . 12 1 1 A 53 53 ALA HA H 53 4.373 4.804 -0.431 1
1 548 . 12 1 1 A 53 53 ALA CB C 53 19.207 22.368 -3.161 1
1 552 . 12 1 1 A 53 53 ALA C C 53 176.519 175.659 0.860 1
1 553 . 12 1 1 A 54 54 VAL N N 54 121.228 120.443 0.785 1
1 554 . 12 1 1 A 54 54 VAL H H 54 8.429 8.908 -0.479 1
1 555 . 12 1 1 A 54 54 VAL CA C 54 60.672 61.319 -0.647 1
1 556 . 12 1 1 A 54 54 VAL HA H 54 4.980 4.736 0.244 1
1 557 . 12 1 1 A 54 54 VAL CB C 54 33.933 34.508 -0.575 1
1 567 . 12 1 1 A 54 54 VAL C C 54 175.443 174.899 0.544 1
1 568 . 12 1 1 A 55 55 GLU N N 55 126.290 127.685 -1.395 1
1 569 . 12 1 1 A 55 55 GLU H H 55 8.640 8.900 -0.260 1
1 570 . 12 1 1 A 55 55 GLU CA C 55 54.306 54.907 -0.601 1
1 571 . 12 1 1 A 55 55 GLU HA H 55 4.754 4.781 -0.027 1
1 572 . 12 1 1 A 55 55 GLU CB C 55 33.612 31.752 1.860 1
1 576 . 12 1 1 A 55 55 GLU C C 55 175.073 176.314 -1.241 1
1 579 . 12 1 1 A 56 56 GLU N N 56 123.200 122.048 1.152 1
1 580 . 12 1 1 A 56 56 GLU H H 56 8.878 8.641 0.237 1
1 581 . 12 1 1 A 56 56 GLU CA C 56 56.966 56.565 0.401 1
1 582 . 12 1 1 A 56 56 GLU HA H 56 4.479 4.675 -0.196 1
1 583 . 12 1 1 A 56 56 GLU CB C 56 30.258 30.655 -0.397 1
1 587 . 12 1 1 A 56 56 GLU C C 56 177.592 176.227 1.365 1
1 590 . 12 1 1 A 57 57 CYS N N 57 121.919 123.385 -1.466 1
1 591 . 12 1 1 A 57 57 CYS H H 57 8.496 8.261 0.235 1
1 592 . 12 1 1 A 57 57 CYS CA C 57 59.030 58.447 0.583 1
1 593 . 12 1 1 A 57 57 CYS HA H 57 4.690 4.821 -0.131 1
1 594 . 12 1 1 A 57 57 CYS CB C 57 29.620 28.627 0.993 1
1 596 . 12 1 1 A 57 57 CYS C C 57 173.871 174.368 -0.497 1
1 598 . 12 1 1 A 58 58 HIS N N 58 123.415 124.004 -0.589 1
1 599 . 12 1 1 A 58 58 HIS H H 58 8.961 9.034 -0.073 1
1 600 . 12 1 1 A 58 58 HIS CA C 58 56.751 55.522 1.229 1
1 601 . 12 1 1 A 58 58 HIS HA H 58 4.725 4.632 0.093 1
1 602 . 12 1 1 A 58 58 HIS CB C 58 31.813 29.679 2.134 1
1 608 . 12 1 1 A 58 58 HIS C C 58 174.903 172.928 1.975 1
1 610 . 12 1 1 A 59 59 VAL N N 59 128.900 129.633 -0.733 1
1 611 . 12 1 1 A 59 59 VAL H H 59 8.521 8.940 -0.419 1
1 612 . 12 1 1 A 59 59 VAL CA C 59 61.131 61.697 -0.566 1
1 613 . 12 1 1 A 59 59 VAL HA H 59 5.142 4.567 0.575 1
1 614 . 12 1 1 A 59 59 VAL CB C 59 33.825 32.070 1.755 1
1 624 . 12 1 1 A 59 59 VAL C C 59 175.539 175.063 0.476 1
1 625 . 12 1 1 A 60 60 SER N N 60 120.428 123.446 -3.018 1
1 626 . 12 1 1 A 60 60 SER H H 60 8.995 9.186 -0.191 1
1 627 . 12 1 1 A 60 60 SER CA C 60 56.782 56.368 0.414 1
1 628 . 12 1 1 A 60 60 SER HA H 60 4.823 5.292 -0.469 1
1 629 . 12 1 1 A 60 60 SER CB C 60 65.880 65.549 0.331 1
1 631 . 12 1 1 A 60 60 SER C C 60 172.353 172.284 0.069 1
1 633 . 12 1 1 A 61 61 GLU N N 61 125.163 126.252 -1.089 1
1 634 . 12 1 1 A 61 61 GLU H H 61 8.894 8.748 0.146 1
1 635 . 12 1 1 A 61 61 GLU CA C 61 57.081 54.848 2.233 1
1 636 . 12 1 1 A 61 61 GLU HA H 61 3.545 4.104 -0.559 1
1 637 . 12 1 1 A 61 61 GLU CB C 61 30.675 30.026 0.649 1
1 641 . 12 1 1 A 61 61 GLU C C 61 176.353 175.416 0.937 1
1 644 . 12 1 1 A 62 62 LEU N N 62 129.563 128.431 1.132 1
1 645 . 12 1 1 A 62 62 LEU H H 62 8.800 8.590 0.210 1
1 646 . 12 1 1 A 62 62 LEU CA C 62 56.462 55.987 0.475 1
1 647 . 12 1 1 A 62 62 LEU HA H 62 4.341 4.311 0.030 1
1 648 . 12 1 1 A 62 62 LEU CB C 62 44.020 42.653 1.367 1
1 660 . 12 1 1 A 62 62 LEU C C 62 176.662 176.943 -0.281 1
1 662 . 12 1 1 A 63 63 GLU N N 63 117.143 117.991 -0.848 1
1 663 . 12 1 1 A 63 63 GLU H H 63 8.292 7.495 0.797 1
1 664 . 12 1 1 A 63 63 GLU CA C 63 53.777 52.992 0.785 1
1 665 . 12 1 1 A 63 63 GLU HA H 63 4.655 4.690 -0.035 1
1 666 . 12 1 1 A 63 63 GLU CB C 63 29.768 31.315 -1.547 1
1 670 . 12 1 1 A 63 63 GLU C C 63 172.058 176.218 -4.160 1
1 673 . 12 1 1 A 64 64 PRO CA C 64 65.767 64.271 1.496 1
1 674 . 12 1 1 A 64 64 PRO HA H 64 4.227 4.577 -0.350 1
1 675 . 12 1 1 A 64 64 PRO CB C 64 31.005 31.764 -0.759 1
1 681 . 12 1 1 A 64 64 PRO C C 64 177.068 176.983 0.085 1
1 685 . 12 1 1 A 65 65 ASP N N 65 118.425 116.375 2.050 1
1 686 . 12 1 1 A 65 65 ASP H H 65 8.965 8.580 0.385 1
1 687 . 12 1 1 A 65 65 ASP CA C 65 55.827 53.896 1.931 1
1 688 . 12 1 1 A 65 65 ASP HA H 65 4.589 4.852 -0.263 1
1 689 . 12 1 1 A 65 65 ASP CB C 65 43.713 42.055 1.658 1
1 691 . 12 1 1 A 65 65 ASP C C 65 174.921 175.516 -0.595 1
1 693 . 12 1 1 A 66 66 LYS N N 66 120.940 119.745 1.195 1
1 694 . 12 1 1 A 66 66 LYS H H 66 8.476 7.556 0.920 1
1 695 . 12 1 1 A 66 66 LYS CA C 66 55.938 55.726 0.212 1
1 696 . 12 1 1 A 66 66 LYS HA H 66 5.476 5.291 0.185 1
1 697 . 12 1 1 A 66 66 LYS CB C 66 36.812 35.938 0.874 1
1 705 . 12 1 1 A 66 66 LYS C C 66 173.912 174.189 -0.277 1
1 710 . 12 1 1 A 67 67 TYR N N 67 126.047 123.420 2.627 1
1 711 . 12 1 1 A 67 67 TYR H H 67 9.291 8.572 0.719 1
1 712 . 12 1 1 A 67 67 TYR CA C 67 56.589 56.748 -0.159 1
1 713 . 12 1 1 A 67 67 TYR HA H 67 5.136 5.291 -0.155 1
1 714 . 12 1 1 A 67 67 TYR CB C 67 41.933 43.645 -1.712 1
1 724 . 12 1 1 A 67 67 TYR C C 67 174.424 174.203 0.221 1
1 726 . 12 1 1 A 68 68 ALA N N 68 123.234 123.040 0.194 1
1 727 . 12 1 1 A 68 68 ALA H H 68 9.393 8.819 0.574 1
1 728 . 12 1 1 A 68 68 ALA CA C 68 50.620 50.459 0.161 1
1 729 . 12 1 1 A 68 68 ALA HA H 68 5.002 5.294 -0.292 1
1 730 . 12 1 1 A 68 68 ALA CB C 68 21.211 22.018 -0.807 1
1 734 . 12 1 1 A 68 68 ALA C C 68 176.258 176.002 0.256 1
1 735 . 12 1 1 A 69 69 VAL N N 69 121.910 123.010 -1.100 1
1 736 . 12 1 1 A 69 69 VAL H H 69 8.412 8.571 -0.159 1
1 737 . 12 1 1 A 69 69 VAL CA C 69 61.147 61.182 -0.035 1
1 738 . 12 1 1 A 69 69 VAL HA H 69 4.587 4.736 -0.149 1
1 739 . 12 1 1 A 69 69 VAL CB C 69 32.409 33.383 -0.974 1
1 749 . 12 1 1 A 69 69 VAL C C 69 174.300 173.799 0.501 1
1 750 . 12 1 1 A 70 70 ARG N N 70 125.218 129.642 -4.424 1
1 751 . 12 1 1 A 70 70 ARG H H 70 8.926 9.096 -0.170 1
1 752 . 12 1 1 A 70 70 ARG CA C 70 54.404 54.787 -0.383 1
1 753 . 12 1 1 A 70 70 ARG HA H 70 5.665 4.969 0.696 1
1 754 . 12 1 1 A 70 70 ARG CB C 70 34.966 31.636 3.330 1
1 760 . 12 1 1 A 70 70 ARG C C 70 175.124 175.299 -0.175 1
1 764 . 12 1 1 A 71 71 PHE N N 71 120.657 120.380 0.277 1
1 765 . 12 1 1 A 71 71 PHE H H 71 8.780 9.144 -0.364 1
1 766 . 12 1 1 A 71 71 PHE CA C 71 55.969 56.105 -0.136 1
1 767 . 12 1 1 A 71 71 PHE HA H 71 5.082 5.140 -0.058 1
1 768 . 12 1 1 A 71 71 PHE CB C 71 41.335 41.172 0.163 1
1 780 . 12 1 1 A 71 71 PHE C C 71 171.920 172.116 -0.196 1
1 782 . 12 1 1 A 72 72 ILE N N 72 120.347 120.738 -0.391 1
1 783 . 12 1 1 A 72 72 ILE H H 72 8.714 8.913 -0.199 1
1 784 . 12 1 1 A 72 72 ILE CA C 72 57.669 57.733 -0.064 1
1 785 . 12 1 1 A 72 72 ILE HA H 72 4.469 4.437 0.032 1
1 786 . 12 1 1 A 72 72 ILE CB C 72 39.824 38.884 0.940 1
1 798 . 12 1 1 A 72 72 ILE C C 72 173.612 174.262 -0.650 1
1 800 . 12 1 1 A 73 73 PRO CA C 73 62.050 62.226 -0.176 1
1 801 . 12 1 1 A 73 73 PRO HA H 73 4.493 4.727 -0.234 1
1 802 . 12 1 1 A 73 73 PRO CB C 73 33.680 29.703 3.977 1
1 808 . 12 1 1 A 73 73 PRO C C 73 176.990 175.713 1.277 1
1 812 . 12 1 1 A 74 74 HIS N N 74 119.655 117.650 2.005 1
1 813 . 12 1 1 A 74 74 HIS H H 74 10.240 8.140 2.100 1
1 814 . 12 1 1 A 74 74 HIS CA C 74 54.660 53.776 0.884 1
1 815 . 12 1 1 A 74 74 HIS HA H 74 5.035 5.674 -0.639 1
1 816 . 12 1 1 A 74 74 HIS CB C 74 30.530 31.640 -1.110 1
1 822 . 12 1 1 A 74 74 HIS C C 74 173.624 174.069 -0.445 1
1 824 . 12 1 1 A 75 75 GLU N N 75 118.178 123.373 -5.195 1
1 825 . 12 1 1 A 75 75 GLU H H 75 7.772 8.790 -1.018 1
1 826 . 12 1 1 A 75 75 GLU CA C 75 54.166 54.284 -0.118 1
1 827 . 12 1 1 A 75 75 GLU HA H 75 4.654 4.850 -0.196 1
1 828 . 12 1 1 A 75 75 GLU CB C 75 33.422 33.457 -0.035 1
1 832 . 12 1 1 A 75 75 GLU C C 75 173.599 175.592 -1.993 1
1 835 . 12 1 1 A 76 76 ASN N N 76 116.760 117.003 -0.243 1
1 836 . 12 1 1 A 76 76 ASN H H 76 8.530 8.481 0.049 1
1 837 . 12 1 1 A 76 76 ASN CA C 76 53.486 51.856 1.630 1
1 838 . 12 1 1 A 76 76 ASN HA H 76 4.606 5.117 -0.511 1
1 839 . 12 1 1 A 76 76 ASN CB C 76 40.184 39.153 1.031 1
1 844 . 12 1 1 A 76 76 ASN C C 76 175.598 175.134 0.464 1
1 846 . 12 1 1 A 77 77 GLY N N 77 106.497 107.898 -1.401 1
1 847 . 12 1 1 A 77 77 GLY H H 77 9.152 7.598 1.554 1
1 848 . 12 1 1 A 77 77 GLY CA C 77 43.752 46.205 -2.453 1
1 849 . 12 1 1 A 77 77 GLY HA3 H 77 4.797 4.152 0.645 1
1 850 . 12 1 1 A 77 77 GLY C C 77 176.329 172.009 4.320 1
1 851 . 12 1 1 A 77 77 GLY HA2 H 77 3.897 4.129 -0.232 1
1 852 . 12 1 1 A 78 78 VAL N N 78 124.582 122.517 2.065 1
1 853 . 12 1 1 A 78 78 VAL H H 78 9.334 8.377 0.957 1
1 854 . 12 1 1 A 78 78 VAL CA C 78 64.642 61.295 3.347 1
1 855 . 12 1 1 A 78 78 VAL HA H 78 4.399 4.912 -0.513 1
1 856 . 12 1 1 A 78 78 VAL CB C 78 31.464 33.862 -2.398 1
1 866 . 12 1 1 A 78 78 VAL C C 78 176.269 175.419 0.850 1
1 867 . 12 1 1 A 79 79 HIS N N 79 129.160 126.365 2.795 1
1 868 . 12 1 1 A 79 79 HIS H H 79 9.854 9.239 0.615 1
1 869 . 12 1 1 A 79 79 HIS CA C 79 55.150 55.716 -0.566 1
1 870 . 12 1 1 A 79 79 HIS HA H 79 4.921 5.226 -0.305 1
1 871 . 12 1 1 A 79 79 HIS CB C 79 30.772 32.154 -1.382 1
1 877 . 12 1 1 A 79 79 HIS C C 79 174.062 175.193 -1.131 1
1 879 . 12 1 1 A 80 80 THR N N 80 116.006 115.091 0.915 1
1 880 . 12 1 1 A 80 80 THR H H 80 8.526 8.907 -0.381 1
1 881 . 12 1 1 A 80 80 THR CA C 80 60.983 61.565 -0.582 1
1 882 . 12 1 1 A 80 80 THR HA H 80 5.380 5.115 0.265 1
1 883 . 12 1 1 A 80 80 THR CB C 80 70.590 71.193 -0.603 1
1 889 . 12 1 1 A 80 80 THR C C 80 173.671 173.438 0.233 1
1 890 . 12 1 1 A 81 81 ILE N N 81 127.414 128.690 -1.276 1
1 891 . 12 1 1 A 81 81 ILE H H 81 9.745 9.330 0.415 1
1 892 . 12 1 1 A 81 81 ILE CA C 81 60.037 60.941 -0.904 1
1 893 . 12 1 1 A 81 81 ILE HA H 81 4.867 4.426 0.441 1
1 894 . 12 1 1 A 81 81 ILE CB C 81 39.883 38.101 1.782 1
1 906 . 12 1 1 A 81 81 ILE C C 81 175.279 175.075 0.204 1
1 908 . 12 1 1 A 82 82 ASP N N 82 128.375 127.398 0.977 1
1 909 . 12 1 1 A 82 82 ASP H H 82 9.157 9.078 0.079 1
1 910 . 12 1 1 A 82 82 ASP CA C 82 53.084 52.876 0.208 1
1 911 . 12 1 1 A 82 82 ASP HA H 82 5.060 5.316 -0.256 1
1 912 . 12 1 1 A 82 82 ASP CB C 82 42.929 42.710 0.219 1
1 914 . 12 1 1 A 82 82 ASP C C 82 175.923 174.686 1.237 1
1 916 . 12 1 1 A 83 83 VAL N N 83 125.651 125.719 -0.068 1
1 917 . 12 1 1 A 83 83 VAL H H 83 9.897 8.818 1.079 1
1 918 . 12 1 1 A 83 83 VAL CA C 83 62.407 61.493 0.914 1
1 919 . 12 1 1 A 83 83 VAL HA H 83 4.553 4.994 -0.441 1
1 920 . 12 1 1 A 83 83 VAL CB C 83 33.233 33.312 -0.079 1
1 930 . 12 1 1 A 83 83 VAL C C 83 173.327 174.964 -1.637 1
1 931 . 12 1 1 A 84 84 LYS N N 84 124.405 127.183 -2.778 1
1 932 . 12 1 1 A 84 84 LYS H H 84 8.874 8.936 -0.062 1
1 933 . 12 1 1 A 84 84 LYS CA C 84 53.901 54.499 -0.598 1
1 934 . 12 1 1 A 84 84 LYS HA H 84 5.065 4.905 0.160 1
1 935 . 12 1 1 A 84 84 LYS CB C 84 36.851 35.379 1.472 1
1 943 . 12 1 1 A 84 84 LYS C C 84 174.760 174.696 0.064 1
1 948 . 12 1 1 A 85 85 PHE N N 85 120.871 124.286 -3.415 1
1 949 . 12 1 1 A 85 85 PHE H H 85 9.167 9.178 -0.011 1
1 950 . 12 1 1 A 85 85 PHE CA C 85 56.014 57.498 -1.484 1
1 951 . 12 1 1 A 85 85 PHE HA H 85 5.157 5.056 0.101 1
1 952 . 12 1 1 A 85 85 PHE CB C 85 42.916 42.022 0.894 1
1 964 . 12 1 1 A 85 85 PHE C C 85 175.473 174.927 0.546 1
1 966 . 12 1 1 A 86 86 ASN N N 86 126.732 123.002 3.730 1
1 967 . 12 1 1 A 86 86 ASN H H 86 8.714 8.543 0.171 1
1 968 . 12 1 1 A 86 86 ASN CA C 86 53.835 54.099 -0.264 1
1 969 . 12 1 1 A 86 86 ASN HA H 86 4.216 4.225 -0.009 1
1 970 . 12 1 1 A 86 86 ASN CB C 86 36.789 37.337 -0.548 1
1 975 . 12 1 1 A 86 86 ASN C C 86 175.700 175.480 0.220 1
1 977 . 12 1 1 A 87 87 GLY N N 87 102.449 104.349 -1.900 1
1 978 . 12 1 1 A 87 87 GLY H H 87 8.986 8.581 0.405 1
1 979 . 12 1 1 A 87 87 GLY CA C 87 45.490 46.722 -1.232 1
1 980 . 12 1 1 A 87 87 GLY HA3 H 87 4.223 3.900 0.323 1
1 981 . 12 1 1 A 87 87 GLY C C 87 174.149 173.541 0.608 1
1 982 . 12 1 1 A 87 87 GLY HA2 H 87 3.555 3.895 -0.340 1
1 983 . 12 1 1 A 88 88 SER N N 88 116.260 113.596 2.664 1
1 984 . 12 1 1 A 88 88 SER H H 88 7.670 7.668 0.002 1
1 985 . 12 1 1 A 88 88 SER CA C 88 57.194 57.710 -0.516 1
1 986 . 12 1 1 A 88 88 SER HA H 88 4.935 4.769 0.166 1
1 987 . 12 1 1 A 88 88 SER CB C 88 65.421 66.349 -0.928 1
1 989 . 12 1 1 A 88 88 SER C C 88 173.491 173.113 0.378 1
1 991 . 12 1 1 A 89 89 HIS N N 89 124.290 125.642 -1.352 1
1 992 . 12 1 1 A 89 89 HIS H H 89 8.847 8.954 -0.107 1
1 993 . 12 1 1 A 89 89 HIS CA C 89 59.048 56.381 2.667 1
1 994 . 12 1 1 A 89 89 HIS HA H 89 4.543 4.641 -0.098 1
1 995 . 12 1 1 A 89 89 HIS CB C 89 32.463 29.177 3.286 1
1 1001 . 12 1 1 A 89 89 HIS C C 89 177.441 175.306 2.135 1
1 1003 . 12 1 1 A 90 90 VAL N N 90 116.253 122.664 -6.411 1
1 1004 . 12 1 1 A 90 90 VAL H H 90 8.283 8.036 0.247 1
1 1005 . 12 1 1 A 90 90 VAL CA C 90 60.279 62.464 -2.185 1
1 1006 . 12 1 1 A 90 90 VAL HA H 90 4.291 3.976 0.315 1
1 1007 . 12 1 1 A 90 90 VAL CB C 90 31.601 32.941 -1.340 1
1 1017 . 12 1 1 A 90 90 VAL C C 90 176.074 175.678 0.396 1
1 1018 . 12 1 1 A 91 91 VAL N N 91 123.139 123.125 0.014 1
1 1019 . 12 1 1 A 91 91 VAL H H 91 8.910 8.427 0.483 1
1 1020 . 12 1 1 A 91 91 VAL CA C 91 66.030 63.628 2.402 1
1 1021 . 12 1 1 A 91 91 VAL HA H 91 3.632 3.744 -0.112 1
1 1022 . 12 1 1 A 91 91 VAL CB C 91 30.897 31.461 -0.564 1
1 1032 . 12 1 1 A 91 91 VAL C C 91 177.012 177.078 -0.066 1
1 1033 . 12 1 1 A 92 92 GLY N N 92 116.727 116.325 0.402 1
1 1034 . 12 1 1 A 92 92 GLY H H 92 8.396 8.711 -0.315 1
1 1035 . 12 1 1 A 92 92 GLY CA C 92 44.466 46.278 -1.812 1
1 1036 . 12 1 1 A 92 92 GLY HA3 H 92 4.180 3.647 0.533 1
1 1037 . 12 1 1 A 92 92 GLY C C 92 172.077 173.084 -1.007 1
1 1038 . 12 1 1 A 92 92 GLY HA2 H 92 3.221 3.577 -0.356 1
1 1039 . 12 1 1 A 93 93 SER N N 93 112.885 114.788 -1.903 1
1 1040 . 12 1 1 A 93 93 SER H H 93 7.484 7.516 -0.032 1
1 1041 . 12 1 1 A 93 93 SER CA C 93 54.547 54.484 0.063 1
1 1042 . 12 1 1 A 93 93 SER HA H 93 4.065 4.421 -0.356 1
1 1043 . 12 1 1 A 93 93 SER CB C 93 62.575 65.432 -2.857 1
1 1045 . 12 1 1 A 93 93 SER C C 93 174.608 172.156 2.452 1
1 1047 . 12 1 1 A 94 94 PRO CA C 94 62.477 62.349 0.128 1
1 1048 . 12 1 1 A 94 94 PRO HA H 94 5.491 4.587 0.904 1
1 1049 . 12 1 1 A 94 94 PRO CB C 94 34.106 32.355 1.751 1
1 1055 . 12 1 1 A 94 94 PRO C C 94 176.779 175.710 1.069 1
1 1059 . 12 1 1 A 95 95 PHE N N 95 123.133 119.841 3.292 1
1 1060 . 12 1 1 A 95 95 PHE H H 95 9.200 8.458 0.742 1
1 1061 . 12 1 1 A 95 95 PHE CA C 95 57.291 57.537 -0.246 1
1 1062 . 12 1 1 A 95 95 PHE HA H 95 4.581 4.872 -0.291 1
1 1063 . 12 1 1 A 95 95 PHE CB C 95 41.165 41.029 0.136 1
1 1075 . 12 1 1 A 95 95 PHE C C 95 175.687 175.157 0.530 1
1 1077 . 12 1 1 A 96 96 LYS N N 96 122.134 118.174 3.960 1
1 1078 . 12 1 1 A 96 96 LYS H H 96 8.790 9.160 -0.370 1
1 1079 . 12 1 1 A 96 96 LYS CA C 96 55.249 54.477 0.772 1
1 1080 . 12 1 1 A 96 96 LYS HA H 96 5.276 5.249 0.027 1
1 1081 . 12 1 1 A 96 96 LYS CB C 96 33.836 36.189 -2.353 1
1 1089 . 12 1 1 A 96 96 LYS C C 96 176.515 175.156 1.359 1
1 1094 . 12 1 1 A 97 97 VAL N N 97 117.706 118.036 -0.330 1
1 1095 . 12 1 1 A 97 97 VAL H H 97 8.873 8.487 0.386 1
1 1096 . 12 1 1 A 97 97 VAL CA C 97 59.188 59.346 -0.158 1
1 1097 . 12 1 1 A 97 97 VAL HA H 97 4.917 4.832 0.085 1
1 1098 . 12 1 1 A 97 97 VAL CB C 97 35.185 35.893 -0.708 1
1 1108 . 12 1 1 A 97 97 VAL C C 97 173.801 173.747 0.054 1
1 1109 . 12 1 1 A 98 98 ARG N N 98 125.203 124.263 0.940 1
1 1110 . 12 1 1 A 98 98 ARG H H 98 8.826 9.230 -0.404 1
1 1111 . 12 1 1 A 98 98 ARG CA C 98 56.337 55.055 1.282 1
1 1112 . 12 1 1 A 98 98 ARG HA H 98 4.610 4.970 -0.360 1
1 1113 . 12 1 1 A 98 98 ARG CB C 98 32.031 32.010 0.021 1
1 1119 . 12 1 1 A 98 98 ARG C C 98 174.438 175.942 -1.504 1
1 1123 . 12 1 1 A 99 99 VAL N N 99 127.382 127.903 -0.521 1
1 1124 . 12 1 1 A 99 99 VAL H H 99 8.144 8.810 -0.666 1
1 1125 . 12 1 1 A 99 99 VAL CA C 99 61.216 62.576 -1.360 1
1 1126 . 12 1 1 A 99 99 VAL HA H 99 4.115 4.302 -0.187 1
1 1127 . 12 1 1 A 99 99 VAL CB C 99 32.590 31.934 0.656 1
1 1137 . 12 1 1 A 99 99 VAL C C 99 176.994 175.033 1.961 1
1 1138 . 12 1 1 A 100 100 GLY N N 100 117.424 113.738 3.686 1
1 1139 . 12 1 1 A 100 100 GLY H H 100 8.682 8.561 0.121 1
1 1140 . 12 1 1 A 100 100 GLY CA C 100 44.650 45.654 -1.004 1
1 1141 . 12 1 1 A 100 100 GLY HA3 H 100 4.386 4.151 0.235 1
1 1142 . 12 1 1 A 100 100 GLY C C 100 173.180 172.791 0.389 1
1 1143 . 12 1 1 A 100 100 GLY HA2 H 100 3.954 4.147 -0.193 1
1 1144 . 12 1 1 A 101 101 GLU N N 101 119.495 122.204 -2.709 1
1 1145 . 12 1 1 A 101 101 GLU H H 101 8.383 8.579 -0.196 1
1 1146 . 12 1 1 A 101 101 GLU CA C 101 54.168 55.486 -1.318 1
1 1147 . 12 1 1 A 101 101 GLU HA H 101 4.661 4.304 0.357 1
1 1148 . 12 1 1 A 101 101 GLU CB C 101 29.836 29.302 0.534 1
1 1152 . 12 1 1 A 101 101 GLU C C 101 175.458 175.311 0.147 1
1 1155 . 12 1 1 A 102 102 PRO CA C 102 63.897 62.432 1.465 1
1 1156 . 12 1 1 A 102 102 PRO HA H 102 4.361 4.614 -0.253 1
1 1157 . 12 1 1 A 102 102 PRO CB C 102 31.946 30.458 1.488 1
1 1163 . 12 1 1 A 102 102 PRO C C 102 177.509 177.921 -0.412 1
1 1167 . 12 1 1 A 103 103 GLY N N 103 109.378 110.483 -1.105 1
1 1168 . 12 1 1 A 103 103 GLY H H 103 8.552 8.271 0.281 1
1 1169 . 12 1 1 A 103 103 GLY CA C 103 45.263 47.371 -2.108 1
1 1170 . 12 1 1 A 103 103 GLY HA3 H 103 3.962 3.865 0.097 1
1 1171 . 12 1 1 A 103 103 GLY C C 103 174.277 174.176 0.101 1
1 1172 . 12 1 1 A 103 103 GLY HA2 H 103 3.962 3.864 0.098 1
1 1173 . 12 1 1 A 104 104 GLN N N 104 119.735 118.799 0.936 1
1 1174 . 12 1 1 A 104 104 GLN H H 104 8.096 7.822 0.274 1
1 1175 . 12 1 1 A 104 104 GLN CA C 104 55.924 54.060 1.864 1
1 1176 . 12 1 1 A 104 104 GLN HA H 104 4.339 4.733 -0.394 1
1 1177 . 12 1 1 A 104 104 GLN CB C 104 29.622 31.191 -1.569 1
1 1184 . 12 1 1 A 104 104 GLN C C 104 175.669 176.128 -0.459 1
1 1187 . 12 1 1 A 105 105 ALA N N 105 125.603 127.631 -2.028 1
1 1188 . 12 1 1 A 105 105 ALA H H 105 8.389 8.719 -0.330 1
1 1189 . 12 1 1 A 105 105 ALA CA C 105 52.416 54.656 -2.240 1
1 1190 . 12 1 1 A 105 105 ALA HA H 105 4.385 4.011 0.374 1
1 1191 . 12 1 1 A 105 105 ALA CB C 105 19.608 19.349 0.259 1
1 1195 . 12 1 1 A 105 105 ALA C C 105 176.971 178.104 -1.133 1
1 1 . 13 1 1 A 8 8 SER CA C 8 59.066 57.470 1.596 1
1 2 . 13 1 1 A 8 8 SER HA H 8 4.444 4.696 -0.252 1
1 3 . 13 1 1 A 8 8 SER CB C 8 63.749 62.149 1.600 1
1 5 . 13 1 1 A 8 8 SER C C 8 174.832 172.989 1.843 1
1 7 . 13 1 1 A 9 9 ASP N N 9 122.244 126.661 -4.417 1
1 8 . 13 1 1 A 9 9 ASP H H 9 8.460 7.905 0.555 1
1 9 . 13 1 1 A 9 9 ASP CA C 9 54.943 53.344 1.599 1
1 10 . 13 1 1 A 9 9 ASP HA H 9 4.730 5.334 -0.604 1
1 11 . 13 1 1 A 9 9 ASP CB C 9 41.125 45.297 -4.172 1
1 13 . 13 1 1 A 9 9 ASP C C 9 176.845 174.896 1.949 1
1 15 . 13 1 1 A 10 10 ASP N N 10 120.929 121.753 -0.824 1
1 16 . 13 1 1 A 10 10 ASP H H 10 8.121 8.871 -0.750 1
1 17 . 13 1 1 A 10 10 ASP CA C 10 55.841 53.510 2.331 1
1 18 . 13 1 1 A 10 10 ASP HA H 10 4.523 4.958 -0.435 1
1 19 . 13 1 1 A 10 10 ASP CB C 10 41.834 41.142 0.692 1
1 21 . 13 1 1 A 10 10 ASP C C 10 177.047 176.186 0.861 1
1 23 . 13 1 1 A 11 11 ALA N N 11 122.815 122.104 0.711 1
1 24 . 13 1 1 A 11 11 ALA H H 11 8.520 7.901 0.619 1
1 25 . 13 1 1 A 11 11 ALA CA C 11 54.828 54.856 -0.028 1
1 26 . 13 1 1 A 11 11 ALA HA H 11 4.004 3.075 0.929 1
1 27 . 13 1 1 A 11 11 ALA CB C 11 19.454 18.476 0.978 1
1 31 . 13 1 1 A 11 11 ALA C C 11 179.280 179.407 -0.127 1
1 32 . 13 1 1 A 12 12 ARG N N 12 115.782 117.881 -2.099 1
1 33 . 13 1 1 A 12 12 ARG H H 12 8.159 8.024 0.135 1
1 34 . 13 1 1 A 12 12 ARG CA C 12 57.578 58.389 -0.811 1
1 35 . 13 1 1 A 12 12 ARG HA H 12 4.310 4.095 0.215 1
1 36 . 13 1 1 A 12 12 ARG CB C 12 29.817 30.024 -0.207 1
1 42 . 13 1 1 A 12 12 ARG C C 12 176.412 177.556 -1.144 1
1 46 . 13 1 1 A 13 13 ARG N N 13 117.438 117.457 -0.019 1
1 47 . 13 1 1 A 13 13 ARG H H 13 7.858 7.762 0.096 1
1 48 . 13 1 1 A 13 13 ARG CA C 13 56.855 55.433 1.422 1
1 49 . 13 1 1 A 13 13 ARG HA H 13 4.183 4.374 -0.191 1
1 50 . 13 1 1 A 13 13 ARG CB C 13 30.976 28.793 2.183 1
1 56 . 13 1 1 A 13 13 ARG C C 13 176.451 174.321 2.130 1
1 60 . 13 1 1 A 14 14 LEU N N 14 121.077 122.017 -0.940 1
1 61 . 13 1 1 A 14 14 LEU H H 14 6.925 7.478 -0.553 1
1 62 . 13 1 1 A 14 14 LEU CA C 14 56.582 53.522 3.060 1
1 63 . 13 1 1 A 14 14 LEU HA H 14 4.394 5.064 -0.670 1
1 64 . 13 1 1 A 14 14 LEU CB C 14 42.968 46.002 -3.034 1
1 76 . 13 1 1 A 14 14 LEU C C 14 177.296 175.086 2.210 1
1 78 . 13 1 1 A 15 15 THR N N 15 115.028 121.176 -6.148 1
1 79 . 13 1 1 A 15 15 THR H H 15 8.716 8.708 0.008 1
1 80 . 13 1 1 A 15 15 THR CA C 15 61.169 61.683 -0.514 1
1 81 . 13 1 1 A 15 15 THR HA H 15 4.667 4.996 -0.329 1
1 82 . 13 1 1 A 15 15 THR CB C 15 71.348 70.765 0.583 1
1 88 . 13 1 1 A 15 15 THR C C 15 173.454 173.688 -0.234 1
1 89 . 13 1 1 A 16 16 VAL N N 16 126.736 127.414 -0.678 1
1 90 . 13 1 1 A 16 16 VAL H H 16 8.727 8.857 -0.130 1
1 91 . 13 1 1 A 16 16 VAL CA C 16 62.600 61.538 1.062 1
1 92 . 13 1 1 A 16 16 VAL HA H 16 4.539 4.506 0.033 1
1 93 . 13 1 1 A 16 16 VAL CB C 16 32.521 32.789 -0.268 1
1 103 . 13 1 1 A 16 16 VAL C C 16 175.348 175.071 0.277 1
1 104 . 13 1 1 A 17 17 MET N N 17 126.444 124.679 1.765 1
1 105 . 13 1 1 A 17 17 MET H H 17 9.255 8.786 0.469 1
1 106 . 13 1 1 A 17 17 MET CA C 17 54.872 54.190 0.682 1
1 107 . 13 1 1 A 17 17 MET HA H 17 4.806 5.024 -0.218 1
1 108 . 13 1 1 A 17 17 MET CB C 17 35.443 36.313 -0.870 1
1 116 . 13 1 1 A 17 17 MET C C 17 174.681 176.233 -1.552 1
1 119 . 13 1 1 A 18 18 SER N N 18 112.443 117.836 -5.393 1
1 120 . 13 1 1 A 18 18 SER H H 18 8.568 8.939 -0.371 1
1 121 . 13 1 1 A 18 18 SER CA C 18 58.711 59.057 -0.346 1
1 122 . 13 1 1 A 18 18 SER HA H 18 4.018 4.082 -0.064 1
1 123 . 13 1 1 A 18 18 SER CB C 18 62.009 61.923 0.086 1
1 125 . 13 1 1 A 18 18 SER C C 18 173.373 174.095 -0.722 1
1 127 . 13 1 1 A 19 19 LEU N N 19 122.011 121.428 0.583 1
1 128 . 13 1 1 A 19 19 LEU H H 19 7.996 7.678 0.318 1
1 129 . 13 1 1 A 19 19 LEU CA C 19 54.978 53.472 1.506 1
1 130 . 13 1 1 A 19 19 LEU HA H 19 4.283 4.804 -0.521 1
1 131 . 13 1 1 A 19 19 LEU CB C 19 41.955 44.517 -2.562 1
1 143 . 13 1 1 A 19 19 LEU C C 19 176.135 175.857 0.278 1
1 145 . 13 1 1 A 20 20 GLN N N 20 127.739 127.237 0.502 1
1 146 . 13 1 1 A 20 20 GLN H H 20 8.669 8.646 0.023 1
1 147 . 13 1 1 A 20 20 GLN CA C 20 55.617 56.503 -0.886 1
1 148 . 13 1 1 A 20 20 GLN HA H 20 4.400 4.246 0.154 1
1 149 . 13 1 1 A 20 20 GLN CB C 20 29.298 30.192 -0.894 1
1 156 . 13 1 1 A 20 20 GLN C C 20 175.033 175.256 -0.223 1
1 159 . 13 1 1 A 21 21 GLU N N 21 121.152 123.255 -2.103 1
1 160 . 13 1 1 A 21 21 GLU H H 21 8.546 9.247 -0.701 1
1 161 . 13 1 1 A 21 21 GLU CA C 21 57.598 57.473 0.125 1
1 162 . 13 1 1 A 21 21 GLU HA H 21 4.310 4.537 -0.227 1
1 163 . 13 1 1 A 21 21 GLU CB C 21 30.764 31.637 -0.873 1
1 167 . 13 1 1 A 21 21 GLU C C 21 176.581 177.723 -1.142 1
1 170 . 13 1 1 A 22 22 SER N N 22 113.328 109.480 3.848 1
1 171 . 13 1 1 A 22 22 SER H H 22 8.018 8.012 0.006 1
1 172 . 13 1 1 A 22 22 SER CA C 22 57.682 56.930 0.752 1
1 173 . 13 1 1 A 22 22 SER HA H 22 4.997 4.943 0.054 1
1 174 . 13 1 1 A 22 22 SER CB C 22 64.489 63.801 0.688 1
1 176 . 13 1 1 A 22 22 SER C C 22 174.062 175.387 -1.325 1
1 178 . 13 1 1 A 23 23 GLY N N 23 109.317 109.445 -0.128 1
1 179 . 13 1 1 A 23 23 GLY H H 23 8.828 7.940 0.888 1
1 180 . 13 1 1 A 23 23 GLY CA C 23 45.609 45.544 0.065 1
1 181 . 13 1 1 A 23 23 GLY HA3 H 23 4.116 4.082 0.034 1
1 182 . 13 1 1 A 23 23 GLY C C 23 174.629 173.951 0.678 1
1 183 . 13 1 1 A 23 23 GLY HA2 H 23 3.832 4.081 -0.249 1
1 184 . 13 1 1 A 24 24 LEU N N 24 120.545 120.669 -0.124 1
1 185 . 13 1 1 A 24 24 LEU H H 24 7.559 7.354 0.205 1
1 186 . 13 1 1 A 24 24 LEU CA C 24 55.569 54.578 0.991 1
1 187 . 13 1 1 A 24 24 LEU HA H 24 4.310 4.487 -0.177 1
1 188 . 13 1 1 A 24 24 LEU CB C 24 42.978 42.015 0.963 1
1 200 . 13 1 1 A 24 24 LEU C C 24 176.704 176.155 0.549 1
1 202 . 13 1 1 A 25 25 LYS N N 25 122.188 119.861 2.327 1
1 203 . 13 1 1 A 25 25 LYS H H 25 8.828 8.532 0.296 1
1 204 . 13 1 1 A 25 25 LYS CA C 25 54.686 54.686 0.000 1
1 205 . 13 1 1 A 25 25 LYS HA H 25 4.676 4.971 -0.295 1
1 206 . 13 1 1 A 25 25 LYS CB C 25 35.736 35.491 0.245 1
1 214 . 13 1 1 A 25 25 LYS C C 25 175.885 176.540 -0.655 1
1 219 . 13 1 1 A 26 26 VAL N N 26 121.689 123.649 -1.960 1
1 220 . 13 1 1 A 26 26 VAL H H 26 8.503 8.594 -0.091 1
1 221 . 13 1 1 A 26 26 VAL CA C 26 64.069 62.174 1.895 1
1 222 . 13 1 1 A 26 26 VAL HA H 26 3.218 4.124 -0.906 1
1 223 . 13 1 1 A 26 26 VAL CB C 26 31.636 32.479 -0.843 1
1 233 . 13 1 1 A 26 26 VAL C C 26 175.837 175.620 0.217 1
1 234 . 13 1 1 A 27 27 ASN N N 27 116.772 118.710 -1.938 1
1 235 . 13 1 1 A 27 27 ASN H H 27 8.682 9.020 -0.338 1
1 236 . 13 1 1 A 27 27 ASN CA C 27 55.183 54.312 0.871 1
1 237 . 13 1 1 A 27 27 ASN HA H 27 4.138 4.286 -0.148 1
1 238 . 13 1 1 A 27 27 ASN CB C 27 37.242 37.264 -0.022 1
1 243 . 13 1 1 A 27 27 ASN C C 27 173.308 173.875 -0.567 1
1 245 . 13 1 1 A 28 28 GLN N N 28 118.793 117.073 1.720 1
1 246 . 13 1 1 A 28 28 GLN H H 28 7.544 7.621 -0.077 1
1 247 . 13 1 1 A 28 28 GLN CA C 28 52.212 52.323 -0.111 1
1 248 . 13 1 1 A 28 28 GLN HA H 28 4.893 4.690 0.203 1
1 249 . 13 1 1 A 28 28 GLN CB C 28 30.060 31.213 -1.153 1
1 256 . 13 1 1 A 28 28 GLN C C 28 173.078 173.392 -0.314 1
1 259 . 13 1 1 A 29 29 PRO CA C 29 63.563 62.875 0.688 1
1 260 . 13 1 1 A 29 29 PRO HA H 29 4.294 4.636 -0.342 1
1 261 . 13 1 1 A 29 29 PRO CB C 29 31.874 31.654 0.220 1
1 267 . 13 1 1 A 29 29 PRO C C 29 175.250 175.881 -0.631 1
1 271 . 13 1 1 A 30 30 ALA N N 30 128.803 126.443 2.360 1
1 272 . 13 1 1 A 30 30 ALA H H 30 8.887 8.552 0.335 1
1 273 . 13 1 1 A 30 30 ALA CA C 30 50.558 50.381 0.177 1
1 274 . 13 1 1 A 30 30 ALA HA H 30 4.539 4.970 -0.431 1
1 275 . 13 1 1 A 30 30 ALA CB C 30 21.602 22.092 -0.490 1
1 279 . 13 1 1 A 30 30 ALA C C 30 175.510 175.792 -0.282 1
1 280 . 13 1 1 A 31 31 SER N N 31 112.512 114.400 -1.888 1
1 281 . 13 1 1 A 31 31 SER H H 31 8.214 8.837 -0.623 1
1 282 . 13 1 1 A 31 31 SER CA C 31 56.701 56.526 0.175 1
1 283 . 13 1 1 A 31 31 SER HA H 31 5.832 5.823 0.009 1
1 284 . 13 1 1 A 31 31 SER CB C 31 66.721 66.619 0.102 1
1 286 . 13 1 1 A 31 31 SER C C 31 173.379 173.796 -0.417 1
1 288 . 13 1 1 A 32 32 PHE N N 32 119.232 118.080 1.152 1
1 289 . 13 1 1 A 32 32 PHE H H 32 8.798 8.518 0.280 1
1 290 . 13 1 1 A 32 32 PHE CA C 32 56.218 55.513 0.705 1
1 291 . 13 1 1 A 32 32 PHE HA H 32 4.925 5.544 -0.619 1
1 292 . 13 1 1 A 32 32 PHE CB C 32 39.752 41.877 -2.125 1
1 304 . 13 1 1 A 32 32 PHE C C 32 172.709 172.594 0.115 1
1 306 . 13 1 1 A 33 33 ALA N N 33 122.788 121.955 0.833 1
1 307 . 13 1 1 A 33 33 ALA H H 33 8.827 8.608 0.219 1
1 308 . 13 1 1 A 33 33 ALA CA C 33 50.616 49.815 0.801 1
1 309 . 13 1 1 A 33 33 ALA HA H 33 5.654 5.636 0.018 1
1 310 . 13 1 1 A 33 33 ALA CB C 33 22.616 22.503 0.113 1
1 314 . 13 1 1 A 33 33 ALA C C 33 175.770 175.923 -0.153 1
1 315 . 13 1 1 A 34 34 ILE N N 34 118.542 121.706 -3.164 1
1 316 . 13 1 1 A 34 34 ILE H H 34 9.194 9.566 -0.372 1
1 317 . 13 1 1 A 34 34 ILE CA C 34 59.486 59.954 -0.468 1
1 318 . 13 1 1 A 34 34 ILE HA H 34 4.978 4.873 0.105 1
1 319 . 13 1 1 A 34 34 ILE CB C 34 42.577 40.109 2.468 1
1 331 . 13 1 1 A 34 34 ILE C C 34 174.924 174.588 0.336 1
1 333 . 13 1 1 A 35 35 ARG N N 35 126.774 128.531 -1.757 1
1 334 . 13 1 1 A 35 35 ARG H H 35 9.038 9.413 -0.375 1
1 335 . 13 1 1 A 35 35 ARG CA C 35 54.096 55.055 -0.959 1
1 336 . 13 1 1 A 35 35 ARG HA H 35 5.283 5.075 0.208 1
1 337 . 13 1 1 A 35 35 ARG CB C 35 32.039 31.910 0.129 1
1 343 . 13 1 1 A 35 35 ARG C C 35 175.959 174.711 1.248 1
1 347 . 13 1 1 A 36 36 LEU N N 36 123.887 127.348 -3.461 1
1 348 . 13 1 1 A 36 36 LEU H H 36 8.648 8.681 -0.033 1
1 349 . 13 1 1 A 36 36 LEU CA C 36 56.318 53.516 2.802 1
1 350 . 13 1 1 A 36 36 LEU HA H 36 4.037 4.984 -0.947 1
1 351 . 13 1 1 A 36 36 LEU CB C 36 41.028 43.698 -2.670 1
1 363 . 13 1 1 A 36 36 LEU C C 36 177.292 176.447 0.845 1
1 365 . 13 1 1 A 37 37 ASN N N 37 115.087 122.601 -7.514 1
1 366 . 13 1 1 A 37 37 ASN H H 37 8.594 8.520 0.074 1
1 367 . 13 1 1 A 37 37 ASN CA C 37 54.182 53.144 1.038 1
1 368 . 13 1 1 A 37 37 ASN HA H 37 4.407 4.854 -0.447 1
1 369 . 13 1 1 A 37 37 ASN CB C 37 37.687 38.626 -0.939 1
1 374 . 13 1 1 A 37 37 ASN C C 37 176.277 175.507 0.770 1
1 376 . 13 1 1 A 38 38 GLY N N 38 106.329 107.744 -1.415 1
1 377 . 13 1 1 A 38 38 GLY H H 38 9.506 7.901 1.605 1
1 378 . 13 1 1 A 38 38 GLY CA C 38 45.290 45.489 -0.199 1
1 379 . 13 1 1 A 38 38 GLY HA3 H 38 4.156 4.037 0.119 1
1 380 . 13 1 1 A 38 38 GLY C C 38 174.483 174.200 0.283 1
1 381 . 13 1 1 A 38 38 GLY HA2 H 38 3.617 4.019 -0.402 1
1 382 . 13 1 1 A 39 39 ALA N N 39 124.015 123.215 0.800 1
1 383 . 13 1 1 A 39 39 ALA H H 39 7.483 7.881 -0.398 1
1 384 . 13 1 1 A 39 39 ALA CA C 39 52.396 50.836 1.560 1
1 385 . 13 1 1 A 39 39 ALA HA H 39 4.280 4.505 -0.225 1
1 386 . 13 1 1 A 39 39 ALA CB C 39 20.424 20.116 0.308 1
1 390 . 13 1 1 A 39 39 ALA C C 39 176.275 177.252 -0.977 1
1 391 . 13 1 1 A 40 40 LYS N N 40 119.513 121.163 -1.650 1
1 392 . 13 1 1 A 40 40 LYS H H 40 8.685 8.906 -0.221 1
1 393 . 13 1 1 A 40 40 LYS CA C 40 54.696 55.291 -0.595 1
1 394 . 13 1 1 A 40 40 LYS HA H 40 4.811 5.236 -0.425 1
1 395 . 13 1 1 A 40 40 LYS CB C 40 34.324 35.172 -0.848 1
1 403 . 13 1 1 A 40 40 LYS C C 40 176.004 175.770 0.234 1
1 408 . 13 1 1 A 41 41 GLY N N 41 111.941 107.754 4.187 1
1 409 . 13 1 1 A 41 41 GLY H H 41 8.398 8.210 0.188 1
1 410 . 13 1 1 A 41 41 GLY CA C 41 45.887 45.602 0.285 1
1 411 . 13 1 1 A 41 41 GLY HA3 H 41 3.722 4.036 -0.314 1
1 412 . 13 1 1 A 41 41 GLY C C 41 171.021 171.155 -0.134 1
1 413 . 13 1 1 A 41 41 GLY HA2 H 41 3.722 3.654 0.068 1
1 414 . 13 1 1 A 42 42 LYS N N 42 119.600 121.224 -1.624 1
1 415 . 13 1 1 A 42 42 LYS H H 42 7.293 7.923 -0.630 1
1 416 . 13 1 1 A 42 42 LYS CA C 42 54.522 54.560 -0.038 1
1 417 . 13 1 1 A 42 42 LYS HA H 42 4.467 4.440 0.027 1
1 418 . 13 1 1 A 42 42 LYS CB C 42 34.979 33.632 1.347 1
1 426 . 13 1 1 A 42 42 LYS C C 42 175.675 174.739 0.936 1
1 431 . 13 1 1 A 43 43 ILE N N 43 127.421 128.057 -0.636 1
1 432 . 13 1 1 A 43 43 ILE H H 43 8.706 8.493 0.213 1
1 433 . 13 1 1 A 43 43 ILE CA C 43 60.336 60.587 -0.251 1
1 434 . 13 1 1 A 43 43 ILE HA H 43 4.695 4.252 0.443 1
1 435 . 13 1 1 A 43 43 ILE CB C 43 39.322 36.831 2.491 1
1 447 . 13 1 1 A 43 43 ILE C C 43 174.542 174.895 -0.353 1
1 449 . 13 1 1 A 44 44 ASP N N 44 127.995 127.647 0.348 1
1 450 . 13 1 1 A 44 44 ASP H H 44 8.861 8.898 -0.037 1
1 451 . 13 1 1 A 44 44 ASP CA C 44 53.245 52.852 0.393 1
1 452 . 13 1 1 A 44 44 ASP HA H 44 4.817 5.394 -0.577 1
1 453 . 13 1 1 A 44 44 ASP CB C 44 44.577 43.704 0.873 1
1 455 . 13 1 1 A 44 44 ASP C C 44 173.768 175.467 -1.699 1
1 457 . 13 1 1 A 45 45 ALA N N 45 127.601 122.834 4.767 1
1 458 . 13 1 1 A 45 45 ALA H H 45 8.819 8.863 -0.044 1
1 459 . 13 1 1 A 45 45 ALA CA C 45 50.180 51.341 -1.161 1
1 460 . 13 1 1 A 45 45 ALA HA H 45 5.859 5.215 0.644 1
1 461 . 13 1 1 A 45 45 ALA CB C 45 21.379 22.406 -1.027 1
1 465 . 13 1 1 A 45 45 ALA C C 45 175.393 175.770 -0.377 1
1 466 . 13 1 1 A 46 46 LYS N N 46 122.427 122.393 0.034 1
1 467 . 13 1 1 A 46 46 LYS H H 46 8.723 8.389 0.334 1
1 468 . 13 1 1 A 46 46 LYS CA C 46 55.090 54.782 0.308 1
1 469 . 13 1 1 A 46 46 LYS HA H 46 5.057 4.905 0.152 1
1 470 . 13 1 1 A 46 46 LYS CB C 46 37.534 36.493 1.041 1
1 478 . 13 1 1 A 46 46 LYS C C 46 173.473 174.589 -1.116 1
1 483 . 13 1 1 A 47 47 VAL N N 47 120.177 122.941 -2.764 1
1 484 . 13 1 1 A 47 47 VAL H H 47 8.989 8.645 0.344 1
1 485 . 13 1 1 A 47 47 VAL CA C 47 59.152 60.498 -1.346 1
1 486 . 13 1 1 A 47 47 VAL HA H 47 4.875 4.652 0.223 1
1 487 . 13 1 1 A 47 47 VAL CB C 47 34.502 33.849 0.653 1
1 497 . 13 1 1 A 47 47 VAL C C 47 173.786 173.884 -0.098 1
1 498 . 13 1 1 A 48 48 HIS N N 48 127.949 127.587 0.362 1
1 499 . 13 1 1 A 48 48 HIS H H 48 9.661 9.600 0.061 1
1 500 . 13 1 1 A 48 48 HIS CA C 48 53.917 54.544 -0.627 1
1 501 . 13 1 1 A 48 48 HIS HA H 48 5.238 5.351 -0.113 1
1 502 . 13 1 1 A 48 48 HIS CB C 48 30.549 32.417 -1.868 1
1 508 . 13 1 1 A 48 48 HIS C C 48 175.556 174.588 0.968 1
1 510 . 13 1 1 A 49 49 SER N N 49 121.639 116.163 5.476 1
1 511 . 13 1 1 A 49 49 SER H H 49 9.114 8.250 0.864 1
1 512 . 13 1 1 A 49 49 SER CA C 49 56.693 55.484 1.209 1
1 513 . 13 1 1 A 49 49 SER HA H 49 4.391 4.859 -0.468 1
1 514 . 13 1 1 A 49 49 SER CB C 49 63.160 65.423 -2.263 1
1 516 . 13 1 1 A 49 49 SER C C 49 174.390 174.676 -0.286 1
1 518 . 13 1 1 A 50 50 PRO CA C 50 65.732 64.126 1.606 1
1 519 . 13 1 1 A 50 50 PRO HA H 50 4.247 4.496 -0.249 1
1 520 . 13 1 1 A 50 50 PRO CB C 50 31.516 31.624 -0.108 1
1 526 . 13 1 1 A 50 50 PRO C C 50 177.969 177.699 0.270 1
1 530 . 13 1 1 A 51 51 SER N N 51 110.808 113.093 -2.285 1
1 531 . 13 1 1 A 51 51 SER H H 51 8.539 7.798 0.741 1
1 532 . 13 1 1 A 51 51 SER CA C 51 59.311 58.544 0.767 1
1 533 . 13 1 1 A 51 51 SER HA H 51 4.331 4.528 -0.197 1
1 534 . 13 1 1 A 51 51 SER CB C 51 62.767 64.015 -1.248 1
1 536 . 13 1 1 A 51 51 SER C C 51 175.339 174.757 0.582 1
1 538 . 13 1 1 A 52 52 GLY N N 52 110.692 108.814 1.878 1
1 539 . 13 1 1 A 52 52 GLY H H 52 8.181 8.001 0.180 1
1 540 . 13 1 1 A 52 52 GLY CA C 52 44.862 45.440 -0.578 1
1 541 . 13 1 1 A 52 52 GLY HA3 H 52 4.444 4.046 0.398 1
1 542 . 13 1 1 A 52 52 GLY C C 52 174.389 174.159 0.230 1
1 543 . 13 1 1 A 52 52 GLY HA2 H 52 3.634 4.031 -0.397 1
1 544 . 13 1 1 A 53 53 ALA N N 53 124.417 122.306 2.111 1
1 545 . 13 1 1 A 53 53 ALA H H 53 7.419 7.826 -0.407 1
1 546 . 13 1 1 A 53 53 ALA CA C 53 52.538 50.621 1.917 1
1 547 . 13 1 1 A 53 53 ALA HA H 53 4.373 4.815 -0.442 1
1 548 . 13 1 1 A 53 53 ALA CB C 53 19.207 22.882 -3.675 1
1 552 . 13 1 1 A 53 53 ALA C C 53 176.519 175.750 0.769 1
1 553 . 13 1 1 A 54 54 VAL N N 54 121.228 120.464 0.764 1
1 554 . 13 1 1 A 54 54 VAL H H 54 8.429 8.795 -0.366 1
1 555 . 13 1 1 A 54 54 VAL CA C 54 60.672 61.262 -0.590 1
1 556 . 13 1 1 A 54 54 VAL HA H 54 4.980 4.445 0.535 1
1 557 . 13 1 1 A 54 54 VAL CB C 54 33.933 33.900 0.033 1
1 567 . 13 1 1 A 54 54 VAL C C 54 175.443 174.984 0.459 1
1 568 . 13 1 1 A 55 55 GLU N N 55 126.290 126.945 -0.655 1
1 569 . 13 1 1 A 55 55 GLU H H 55 8.640 8.861 -0.221 1
1 570 . 13 1 1 A 55 55 GLU CA C 55 54.306 54.345 -0.039 1
1 571 . 13 1 1 A 55 55 GLU HA H 55 4.754 4.820 -0.066 1
1 572 . 13 1 1 A 55 55 GLU CB C 55 33.612 32.455 1.157 1
1 576 . 13 1 1 A 55 55 GLU C C 55 175.073 174.835 0.238 1
1 579 . 13 1 1 A 56 56 GLU N N 56 123.200 122.981 0.219 1
1 580 . 13 1 1 A 56 56 GLU H H 56 8.878 8.754 0.124 1
1 581 . 13 1 1 A 56 56 GLU CA C 56 56.966 55.850 1.116 1
1 582 . 13 1 1 A 56 56 GLU HA H 56 4.479 4.907 -0.428 1
1 583 . 13 1 1 A 56 56 GLU CB C 56 30.258 31.644 -1.386 1
1 587 . 13 1 1 A 56 56 GLU C C 56 177.592 175.492 2.100 1
1 590 . 13 1 1 A 57 57 CYS N N 57 121.919 126.427 -4.508 1
1 591 . 13 1 1 A 57 57 CYS H H 57 8.496 8.255 0.241 1
1 592 . 13 1 1 A 57 57 CYS CA C 57 59.030 58.183 0.847 1
1 593 . 13 1 1 A 57 57 CYS HA H 57 4.690 5.083 -0.393 1
1 594 . 13 1 1 A 57 57 CYS CB C 57 29.620 28.427 1.193 1
1 596 . 13 1 1 A 57 57 CYS C C 57 173.871 174.386 -0.515 1
1 598 . 13 1 1 A 58 58 HIS N N 58 123.415 124.277 -0.862 1
1 599 . 13 1 1 A 58 58 HIS H H 58 8.961 8.443 0.518 1
1 600 . 13 1 1 A 58 58 HIS CA C 58 56.751 57.766 -1.015 1
1 601 . 13 1 1 A 58 58 HIS HA H 58 4.725 4.475 0.250 1
1 602 . 13 1 1 A 58 58 HIS CB C 58 31.813 30.431 1.382 1
1 608 . 13 1 1 A 58 58 HIS C C 58 174.903 174.084 0.819 1
1 610 . 13 1 1 A 59 59 VAL N N 59 128.900 128.202 0.698 1
1 611 . 13 1 1 A 59 59 VAL H H 59 8.521 8.628 -0.107 1
1 612 . 13 1 1 A 59 59 VAL CA C 59 61.131 60.851 0.280 1
1 613 . 13 1 1 A 59 59 VAL HA H 59 5.142 4.659 0.483 1
1 614 . 13 1 1 A 59 59 VAL CB C 59 33.825 33.768 0.057 1
1 624 . 13 1 1 A 59 59 VAL C C 59 175.539 174.642 0.897 1
1 625 . 13 1 1 A 60 60 SER N N 60 120.428 122.717 -2.289 1
1 626 . 13 1 1 A 60 60 SER H H 60 8.995 8.730 0.265 1
1 627 . 13 1 1 A 60 60 SER CA C 60 56.782 55.772 1.010 1
1 628 . 13 1 1 A 60 60 SER HA H 60 4.823 5.119 -0.296 1
1 629 . 13 1 1 A 60 60 SER CB C 60 65.880 65.548 0.332 1
1 631 . 13 1 1 A 60 60 SER C C 60 172.353 172.662 -0.309 1
1 633 . 13 1 1 A 61 61 GLU N N 61 125.163 124.844 0.319 1
1 634 . 13 1 1 A 61 61 GLU H H 61 8.894 8.532 0.362 1
1 635 . 13 1 1 A 61 61 GLU CA C 61 57.081 55.216 1.865 1
1 636 . 13 1 1 A 61 61 GLU HA H 61 3.545 4.410 -0.865 1
1 637 . 13 1 1 A 61 61 GLU CB C 61 30.675 30.663 0.012 1
1 641 . 13 1 1 A 61 61 GLU C C 61 176.353 175.954 0.399 1
1 644 . 13 1 1 A 62 62 LEU N N 62 129.563 128.505 1.058 1
1 645 . 13 1 1 A 62 62 LEU H H 62 8.800 8.610 0.190 1
1 646 . 13 1 1 A 62 62 LEU CA C 62 56.462 56.447 0.015 1
1 647 . 13 1 1 A 62 62 LEU HA H 62 4.341 4.214 0.127 1
1 648 . 13 1 1 A 62 62 LEU CB C 62 44.020 42.594 1.426 1
1 660 . 13 1 1 A 62 62 LEU C C 62 176.662 176.867 -0.205 1
1 662 . 13 1 1 A 63 63 GLU N N 63 117.143 114.232 2.911 1
1 663 . 13 1 1 A 63 63 GLU H H 63 8.292 7.016 1.276 1
1 664 . 13 1 1 A 63 63 GLU CA C 63 53.777 53.638 0.139 1
1 665 . 13 1 1 A 63 63 GLU HA H 63 4.655 4.830 -0.175 1
1 666 . 13 1 1 A 63 63 GLU CB C 63 29.768 32.004 -2.236 1
1 670 . 13 1 1 A 63 63 GLU C C 63 172.058 175.600 -3.542 1
1 673 . 13 1 1 A 64 64 PRO CA C 64 65.767 64.108 1.659 1
1 674 . 13 1 1 A 64 64 PRO HA H 64 4.227 4.494 -0.267 1
1 675 . 13 1 1 A 64 64 PRO CB C 64 31.005 31.514 -0.509 1
1 681 . 13 1 1 A 64 64 PRO C C 64 177.068 176.275 0.793 1
1 685 . 13 1 1 A 65 65 ASP N N 65 118.425 117.244 1.181 1
1 686 . 13 1 1 A 65 65 ASP H H 65 8.965 8.370 0.595 1
1 687 . 13 1 1 A 65 65 ASP CA C 65 55.827 54.225 1.602 1
1 688 . 13 1 1 A 65 65 ASP HA H 65 4.589 4.914 -0.325 1
1 689 . 13 1 1 A 65 65 ASP CB C 65 43.713 42.894 0.819 1
1 691 . 13 1 1 A 65 65 ASP C C 65 174.921 175.368 -0.447 1
1 693 . 13 1 1 A 66 66 LYS N N 66 120.940 119.120 1.820 1
1 694 . 13 1 1 A 66 66 LYS H H 66 8.476 7.377 1.099 1
1 695 . 13 1 1 A 66 66 LYS CA C 66 55.938 55.713 0.225 1
1 696 . 13 1 1 A 66 66 LYS HA H 66 5.476 5.162 0.314 1
1 697 . 13 1 1 A 66 66 LYS CB C 66 36.812 36.421 0.391 1
1 705 . 13 1 1 A 66 66 LYS C C 66 173.912 174.026 -0.114 1
1 710 . 13 1 1 A 67 67 TYR N N 67 126.047 122.268 3.779 1
1 711 . 13 1 1 A 67 67 TYR H H 67 9.291 8.648 0.643 1
1 712 . 13 1 1 A 67 67 TYR CA C 67 56.589 56.596 -0.007 1
1 713 . 13 1 1 A 67 67 TYR HA H 67 5.136 5.111 0.025 1
1 714 . 13 1 1 A 67 67 TYR CB C 67 41.933 42.601 -0.668 1
1 724 . 13 1 1 A 67 67 TYR C C 67 174.424 174.511 -0.087 1
1 726 . 13 1 1 A 68 68 ALA N N 68 123.234 123.832 -0.598 1
1 727 . 13 1 1 A 68 68 ALA H H 68 9.393 8.417 0.976 1
1 728 . 13 1 1 A 68 68 ALA CA C 68 50.620 49.710 0.910 1
1 729 . 13 1 1 A 68 68 ALA HA H 68 5.002 5.607 -0.605 1
1 730 . 13 1 1 A 68 68 ALA CB C 68 21.211 22.983 -1.772 1
1 734 . 13 1 1 A 68 68 ALA C C 68 176.258 175.756 0.502 1
1 735 . 13 1 1 A 69 69 VAL N N 69 121.910 120.227 1.683 1
1 736 . 13 1 1 A 69 69 VAL H H 69 8.412 8.563 -0.151 1
1 737 . 13 1 1 A 69 69 VAL CA C 69 61.147 61.171 -0.024 1
1 738 . 13 1 1 A 69 69 VAL HA H 69 4.587 4.649 -0.062 1
1 739 . 13 1 1 A 69 69 VAL CB C 69 32.409 34.011 -1.602 1
1 749 . 13 1 1 A 69 69 VAL C C 69 174.300 173.671 0.629 1
1 750 . 13 1 1 A 70 70 ARG N N 70 125.218 129.639 -4.421 1
1 751 . 13 1 1 A 70 70 ARG H H 70 8.926 9.275 -0.349 1
1 752 . 13 1 1 A 70 70 ARG CA C 70 54.404 54.989 -0.585 1
1 753 . 13 1 1 A 70 70 ARG HA H 70 5.665 5.024 0.641 1
1 754 . 13 1 1 A 70 70 ARG CB C 70 34.966 31.850 3.116 1
1 760 . 13 1 1 A 70 70 ARG C C 70 175.124 175.112 0.012 1
1 764 . 13 1 1 A 71 71 PHE N N 71 120.657 120.268 0.389 1
1 765 . 13 1 1 A 71 71 PHE H H 71 8.780 9.177 -0.397 1
1 766 . 13 1 1 A 71 71 PHE CA C 71 55.969 56.080 -0.111 1
1 767 . 13 1 1 A 71 71 PHE HA H 71 5.082 5.231 -0.149 1
1 768 . 13 1 1 A 71 71 PHE CB C 71 41.335 41.108 0.227 1
1 780 . 13 1 1 A 71 71 PHE C C 71 171.920 172.071 -0.151 1
1 782 . 13 1 1 A 72 72 ILE N N 72 120.347 121.080 -0.733 1
1 783 . 13 1 1 A 72 72 ILE H H 72 8.714 8.895 -0.181 1
1 784 . 13 1 1 A 72 72 ILE CA C 72 57.669 58.105 -0.436 1
1 785 . 13 1 1 A 72 72 ILE HA H 72 4.469 4.551 -0.082 1
1 786 . 13 1 1 A 72 72 ILE CB C 72 39.824 39.206 0.618 1
1 798 . 13 1 1 A 72 72 ILE C C 72 173.612 174.909 -1.297 1
1 800 . 13 1 1 A 73 73 PRO CA C 73 62.050 62.419 -0.369 1
1 801 . 13 1 1 A 73 73 PRO HA H 73 4.493 5.013 -0.520 1
1 802 . 13 1 1 A 73 73 PRO CB C 73 33.680 29.177 4.503 1
1 808 . 13 1 1 A 73 73 PRO C C 73 176.990 175.570 1.420 1
1 812 . 13 1 1 A 74 74 HIS N N 74 119.655 117.671 1.984 1
1 813 . 13 1 1 A 74 74 HIS H H 74 10.240 8.626 1.614 1
1 814 . 13 1 1 A 74 74 HIS CA C 74 54.660 53.798 0.862 1
1 815 . 13 1 1 A 74 74 HIS HA H 74 5.035 5.694 -0.659 1
1 816 . 13 1 1 A 74 74 HIS CB C 74 30.530 31.658 -1.128 1
1 822 . 13 1 1 A 74 74 HIS C C 74 173.624 174.064 -0.440 1
1 824 . 13 1 1 A 75 75 GLU N N 75 118.178 123.011 -4.833 1
1 825 . 13 1 1 A 75 75 GLU H H 75 7.772 8.748 -0.976 1
1 826 . 13 1 1 A 75 75 GLU CA C 75 54.166 54.145 0.021 1
1 827 . 13 1 1 A 75 75 GLU HA H 75 4.654 4.711 -0.057 1
1 828 . 13 1 1 A 75 75 GLU CB C 75 33.422 33.421 0.001 1
1 832 . 13 1 1 A 75 75 GLU C C 75 173.599 175.339 -1.740 1
1 835 . 13 1 1 A 76 76 ASN N N 76 116.760 117.418 -0.658 1
1 836 . 13 1 1 A 76 76 ASN H H 76 8.530 8.383 0.147 1
1 837 . 13 1 1 A 76 76 ASN CA C 76 53.486 51.846 1.640 1
1 838 . 13 1 1 A 76 76 ASN HA H 76 4.606 5.149 -0.543 1
1 839 . 13 1 1 A 76 76 ASN CB C 76 40.184 38.505 1.679 1
1 844 . 13 1 1 A 76 76 ASN C C 76 175.598 174.972 0.626 1
1 846 . 13 1 1 A 77 77 GLY N N 77 106.497 107.238 -0.741 1
1 847 . 13 1 1 A 77 77 GLY H H 77 9.152 7.465 1.687 1
1 848 . 13 1 1 A 77 77 GLY CA C 77 43.752 46.038 -2.286 1
1 849 . 13 1 1 A 77 77 GLY HA3 H 77 4.797 4.195 0.602 1
1 850 . 13 1 1 A 77 77 GLY C C 77 176.329 172.108 4.221 1
1 851 . 13 1 1 A 77 77 GLY HA2 H 77 3.897 4.169 -0.272 1
1 852 . 13 1 1 A 78 78 VAL N N 78 124.582 122.322 2.260 1
1 853 . 13 1 1 A 78 78 VAL H H 78 9.334 8.311 1.023 1
1 854 . 13 1 1 A 78 78 VAL CA C 78 64.642 60.812 3.830 1
1 855 . 13 1 1 A 78 78 VAL HA H 78 4.399 5.044 -0.645 1
1 856 . 13 1 1 A 78 78 VAL CB C 78 31.464 34.115 -2.651 1
1 866 . 13 1 1 A 78 78 VAL C C 78 176.269 175.165 1.104 1
1 867 . 13 1 1 A 79 79 HIS N N 79 129.160 126.053 3.107 1
1 868 . 13 1 1 A 79 79 HIS H H 79 9.854 9.419 0.435 1
1 869 . 13 1 1 A 79 79 HIS CA C 79 55.150 55.484 -0.334 1
1 870 . 13 1 1 A 79 79 HIS HA H 79 4.921 5.266 -0.345 1
1 871 . 13 1 1 A 79 79 HIS CB C 79 30.772 32.203 -1.431 1
1 877 . 13 1 1 A 79 79 HIS C C 79 174.062 174.825 -0.763 1
1 879 . 13 1 1 A 80 80 THR N N 80 116.006 114.894 1.112 1
1 880 . 13 1 1 A 80 80 THR H H 80 8.526 8.805 -0.279 1
1 881 . 13 1 1 A 80 80 THR CA C 80 60.983 61.761 -0.778 1
1 882 . 13 1 1 A 80 80 THR HA H 80 5.380 5.219 0.161 1
1 883 . 13 1 1 A 80 80 THR CB C 80 70.590 71.549 -0.959 1
1 889 . 13 1 1 A 80 80 THR C C 80 173.671 173.137 0.534 1
1 890 . 13 1 1 A 81 81 ILE N N 81 127.414 129.170 -1.756 1
1 891 . 13 1 1 A 81 81 ILE H H 81 9.745 9.654 0.091 1
1 892 . 13 1 1 A 81 81 ILE CA C 81 60.037 60.323 -0.286 1
1 893 . 13 1 1 A 81 81 ILE HA H 81 4.867 4.798 0.069 1
1 894 . 13 1 1 A 81 81 ILE CB C 81 39.883 40.154 -0.271 1
1 906 . 13 1 1 A 81 81 ILE C C 81 175.279 175.364 -0.085 1
1 908 . 13 1 1 A 82 82 ASP N N 82 128.375 124.803 3.572 1
1 909 . 13 1 1 A 82 82 ASP H H 82 9.157 9.051 0.106 1
1 910 . 13 1 1 A 82 82 ASP CA C 82 53.084 52.997 0.087 1
1 911 . 13 1 1 A 82 82 ASP HA H 82 5.060 5.578 -0.518 1
1 912 . 13 1 1 A 82 82 ASP CB C 82 42.929 43.550 -0.621 1
1 914 . 13 1 1 A 82 82 ASP C C 82 175.923 175.526 0.397 1
1 916 . 13 1 1 A 83 83 VAL N N 83 125.651 125.765 -0.114 1
1 917 . 13 1 1 A 83 83 VAL H H 83 9.897 8.826 1.071 1
1 918 . 13 1 1 A 83 83 VAL CA C 83 62.407 61.539 0.868 1
1 919 . 13 1 1 A 83 83 VAL HA H 83 4.553 4.826 -0.273 1
1 920 . 13 1 1 A 83 83 VAL CB C 83 33.233 33.181 0.052 1
1 930 . 13 1 1 A 83 83 VAL C C 83 173.327 174.649 -1.322 1
1 931 . 13 1 1 A 84 84 LYS N N 84 124.405 127.288 -2.883 1
1 932 . 13 1 1 A 84 84 LYS H H 84 8.874 8.620 0.254 1
1 933 . 13 1 1 A 84 84 LYS CA C 84 53.901 54.581 -0.680 1
1 934 . 13 1 1 A 84 84 LYS HA H 84 5.065 4.796 0.269 1
1 935 . 13 1 1 A 84 84 LYS CB C 84 36.851 34.660 2.191 1
1 943 . 13 1 1 A 84 84 LYS C C 84 174.760 174.756 0.004 1
1 948 . 13 1 1 A 85 85 PHE N N 85 120.871 124.765 -3.894 1
1 949 . 13 1 1 A 85 85 PHE H H 85 9.167 9.202 -0.035 1
1 950 . 13 1 1 A 85 85 PHE CA C 85 56.014 57.471 -1.457 1
1 951 . 13 1 1 A 85 85 PHE HA H 85 5.157 4.845 0.312 1
1 952 . 13 1 1 A 85 85 PHE CB C 85 42.916 41.681 1.235 1
1 964 . 13 1 1 A 85 85 PHE C C 85 175.473 174.922 0.551 1
1 966 . 13 1 1 A 86 86 ASN N N 86 126.732 125.416 1.316 1
1 967 . 13 1 1 A 86 86 ASN H H 86 8.714 8.661 0.053 1
1 968 . 13 1 1 A 86 86 ASN CA C 86 53.835 53.977 -0.142 1
1 969 . 13 1 1 A 86 86 ASN HA H 86 4.216 4.293 -0.077 1
1 970 . 13 1 1 A 86 86 ASN CB C 86 36.789 37.383 -0.594 1
1 975 . 13 1 1 A 86 86 ASN C C 86 175.700 174.693 1.007 1
1 977 . 13 1 1 A 87 87 GLY N N 87 102.449 105.234 -2.785 1
1 978 . 13 1 1 A 87 87 GLY H H 87 8.986 8.640 0.346 1
1 979 . 13 1 1 A 87 87 GLY CA C 87 45.490 46.457 -0.967 1
1 980 . 13 1 1 A 87 87 GLY HA3 H 87 4.223 3.953 0.270 1
1 981 . 13 1 1 A 87 87 GLY C C 87 174.149 173.536 0.613 1
1 982 . 13 1 1 A 87 87 GLY HA2 H 87 3.555 3.949 -0.394 1
1 983 . 13 1 1 A 88 88 SER N N 88 116.260 113.648 2.612 1
1 984 . 13 1 1 A 88 88 SER H H 88 7.670 7.745 -0.075 1
1 985 . 13 1 1 A 88 88 SER CA C 88 57.194 57.632 -0.438 1
1 986 . 13 1 1 A 88 88 SER HA H 88 4.935 4.761 0.174 1
1 987 . 13 1 1 A 88 88 SER CB C 88 65.421 66.444 -1.023 1
1 989 . 13 1 1 A 88 88 SER C C 88 173.491 173.140 0.351 1
1 991 . 13 1 1 A 89 89 HIS N N 89 124.290 125.664 -1.374 1
1 992 . 13 1 1 A 89 89 HIS H H 89 8.847 8.880 -0.033 1
1 993 . 13 1 1 A 89 89 HIS CA C 89 59.048 57.149 1.899 1
1 994 . 13 1 1 A 89 89 HIS HA H 89 4.543 4.941 -0.398 1
1 995 . 13 1 1 A 89 89 HIS CB C 89 32.463 29.746 2.717 1
1 1001 . 13 1 1 A 89 89 HIS C C 89 177.441 175.445 1.996 1
1 1003 . 13 1 1 A 90 90 VAL N N 90 116.253 122.906 -6.653 1
1 1004 . 13 1 1 A 90 90 VAL H H 90 8.283 8.144 0.139 1
1 1005 . 13 1 1 A 90 90 VAL CA C 90 60.279 62.493 -2.214 1
1 1006 . 13 1 1 A 90 90 VAL HA H 90 4.291 4.028 0.263 1
1 1007 . 13 1 1 A 90 90 VAL CB C 90 31.601 33.292 -1.691 1
1 1017 . 13 1 1 A 90 90 VAL C C 90 176.074 175.738 0.336 1
1 1018 . 13 1 1 A 91 91 VAL N N 91 123.139 119.878 3.261 1
1 1019 . 13 1 1 A 91 91 VAL H H 91 8.910 8.485 0.425 1
1 1020 . 13 1 1 A 91 91 VAL CA C 91 66.030 62.565 3.465 1
1 1021 . 13 1 1 A 91 91 VAL HA H 91 3.632 3.985 -0.353 1
1 1022 . 13 1 1 A 91 91 VAL CB C 91 30.897 32.261 -1.364 1
1 1032 . 13 1 1 A 91 91 VAL C C 91 177.012 176.151 0.861 1
1 1033 . 13 1 1 A 92 92 GLY N N 92 116.727 113.239 3.488 1
1 1034 . 13 1 1 A 92 92 GLY H H 92 8.396 8.894 -0.498 1
1 1035 . 13 1 1 A 92 92 GLY CA C 92 44.466 46.351 -1.885 1
1 1036 . 13 1 1 A 92 92 GLY HA3 H 92 4.180 3.617 0.563 1
1 1037 . 13 1 1 A 92 92 GLY C C 92 172.077 172.960 -0.883 1
1 1038 . 13 1 1 A 92 92 GLY HA2 H 92 3.221 3.601 -0.380 1
1 1039 . 13 1 1 A 93 93 SER N N 93 112.885 114.629 -1.744 1
1 1040 . 13 1 1 A 93 93 SER H H 93 7.484 7.516 -0.032 1
1 1041 . 13 1 1 A 93 93 SER CA C 93 54.547 54.572 -0.025 1
1 1042 . 13 1 1 A 93 93 SER HA H 93 4.065 4.283 -0.218 1
1 1043 . 13 1 1 A 93 93 SER CB C 93 62.575 65.831 -3.256 1
1 1045 . 13 1 1 A 93 93 SER C C 93 174.608 172.029 2.579 1
1 1047 . 13 1 1 A 94 94 PRO CA C 94 62.477 62.372 0.105 1
1 1048 . 13 1 1 A 94 94 PRO HA H 94 5.491 4.667 0.824 1
1 1049 . 13 1 1 A 94 94 PRO CB C 94 34.106 32.489 1.617 1
1 1055 . 13 1 1 A 94 94 PRO C C 94 176.779 175.053 1.726 1
1 1059 . 13 1 1 A 95 95 PHE N N 95 123.133 119.253 3.880 1
1 1060 . 13 1 1 A 95 95 PHE H H 95 9.200 8.506 0.694 1
1 1061 . 13 1 1 A 95 95 PHE CA C 95 57.291 57.362 -0.071 1
1 1062 . 13 1 1 A 95 95 PHE HA H 95 4.581 4.857 -0.276 1
1 1063 . 13 1 1 A 95 95 PHE CB C 95 41.165 41.734 -0.569 1
1 1075 . 13 1 1 A 95 95 PHE C C 95 175.687 174.691 0.996 1
1 1077 . 13 1 1 A 96 96 LYS N N 96 122.134 118.951 3.183 1
1 1078 . 13 1 1 A 96 96 LYS H H 96 8.790 9.099 -0.309 1
1 1079 . 13 1 1 A 96 96 LYS CA C 96 55.249 54.567 0.682 1
1 1080 . 13 1 1 A 96 96 LYS HA H 96 5.276 5.439 -0.163 1
1 1081 . 13 1 1 A 96 96 LYS CB C 96 33.836 35.809 -1.973 1
1 1089 . 13 1 1 A 96 96 LYS C C 96 176.515 175.622 0.893 1
1 1094 . 13 1 1 A 97 97 VAL N N 97 117.706 118.395 -0.689 1
1 1095 . 13 1 1 A 97 97 VAL H H 97 8.873 8.613 0.260 1
1 1096 . 13 1 1 A 97 97 VAL CA C 97 59.188 59.430 -0.242 1
1 1097 . 13 1 1 A 97 97 VAL HA H 97 4.917 4.812 0.105 1
1 1098 . 13 1 1 A 97 97 VAL CB C 97 35.185 35.553 -0.368 1
1 1108 . 13 1 1 A 97 97 VAL C C 97 173.801 173.988 -0.187 1
1 1109 . 13 1 1 A 98 98 ARG N N 98 125.203 125.522 -0.319 1
1 1110 . 13 1 1 A 98 98 ARG H H 98 8.826 8.733 0.093 1
1 1111 . 13 1 1 A 98 98 ARG CA C 98 56.337 55.230 1.107 1
1 1112 . 13 1 1 A 98 98 ARG HA H 98 4.610 4.940 -0.330 1
1 1113 . 13 1 1 A 98 98 ARG CB C 98 32.031 31.736 0.295 1
1 1119 . 13 1 1 A 98 98 ARG C C 98 174.438 175.460 -1.022 1
1 1123 . 13 1 1 A 99 99 VAL N N 99 127.382 126.898 0.484 1
1 1124 . 13 1 1 A 99 99 VAL H H 99 8.144 8.358 -0.214 1
1 1125 . 13 1 1 A 99 99 VAL CA C 99 61.216 60.640 0.576 1
1 1126 . 13 1 1 A 99 99 VAL HA H 99 4.115 4.753 -0.638 1
1 1127 . 13 1 1 A 99 99 VAL CB C 99 32.590 33.841 -1.251 1
1 1137 . 13 1 1 A 99 99 VAL C C 99 176.994 175.004 1.990 1
1 1138 . 13 1 1 A 100 100 GLY N N 100 117.424 113.873 3.551 1
1 1139 . 13 1 1 A 100 100 GLY H H 100 8.682 7.846 0.836 1
1 1140 . 13 1 1 A 100 100 GLY CA C 100 44.650 45.675 -1.025 1
1 1141 . 13 1 1 A 100 100 GLY HA3 H 100 4.386 4.234 0.152 1
1 1142 . 13 1 1 A 100 100 GLY C C 100 173.180 172.577 0.603 1
1 1143 . 13 1 1 A 100 100 GLY HA2 H 100 3.954 4.229 -0.275 1
1 1144 . 13 1 1 A 101 101 GLU N N 101 119.495 117.398 2.097 1
1 1145 . 13 1 1 A 101 101 GLU H H 101 8.383 8.626 -0.243 1
1 1146 . 13 1 1 A 101 101 GLU CA C 101 54.168 53.642 0.526 1
1 1147 . 13 1 1 A 101 101 GLU HA H 101 4.661 4.866 -0.205 1
1 1148 . 13 1 1 A 101 101 GLU CB C 101 29.836 31.479 -1.643 1
1 1152 . 13 1 1 A 101 101 GLU C C 101 175.458 176.581 -1.123 1
1 1155 . 13 1 1 A 102 102 PRO CA C 102 63.897 64.297 -0.400 1
1 1156 . 13 1 1 A 102 102 PRO HA H 102 4.361 4.470 -0.109 1
1 1157 . 13 1 1 A 102 102 PRO CB C 102 31.946 32.219 -0.273 1
1 1163 . 13 1 1 A 102 102 PRO C C 102 177.509 176.672 0.837 1
1 1167 . 13 1 1 A 103 103 GLY N N 103 109.378 106.808 2.570 1
1 1168 . 13 1 1 A 103 103 GLY H H 103 8.552 7.355 1.197 1
1 1169 . 13 1 1 A 103 103 GLY CA C 103 45.263 45.137 0.126 1
1 1170 . 13 1 1 A 103 103 GLY HA3 H 103 3.962 4.054 -0.092 1
1 1171 . 13 1 1 A 103 103 GLY C C 103 174.277 172.700 1.577 1
1 1172 . 13 1 1 A 103 103 GLY HA2 H 103 3.962 4.053 -0.091 1
1 1173 . 13 1 1 A 104 104 GLN N N 104 119.735 121.334 -1.599 1
1 1174 . 13 1 1 A 104 104 GLN H H 104 8.096 8.380 -0.284 1
1 1175 . 13 1 1 A 104 104 GLN CA C 104 55.924 55.925 -0.001 1
1 1176 . 13 1 1 A 104 104 GLN HA H 104 4.339 4.669 -0.330 1
1 1177 . 13 1 1 A 104 104 GLN CB C 104 29.622 29.887 -0.265 1
1 1184 . 13 1 1 A 104 104 GLN C C 104 175.669 175.012 0.657 1
1 1187 . 13 1 1 A 105 105 ALA N N 105 125.603 124.294 1.309 1
1 1188 . 13 1 1 A 105 105 ALA H H 105 8.389 8.595 -0.206 1
1 1189 . 13 1 1 A 105 105 ALA CA C 105 52.416 50.615 1.801 1
1 1190 . 13 1 1 A 105 105 ALA HA H 105 4.385 4.636 -0.251 1
1 1191 . 13 1 1 A 105 105 ALA CB C 105 19.608 19.869 -0.261 1
1 1195 . 13 1 1 A 105 105 ALA C C 105 176.971 177.177 -0.206 1
1 1 . 14 1 1 A 8 8 SER CA C 8 59.066 58.374 0.692 1
1 2 . 14 1 1 A 8 8 SER HA H 8 4.444 4.454 -0.010 1
1 3 . 14 1 1 A 8 8 SER CB C 8 63.749 64.782 -1.033 1
1 5 . 14 1 1 A 8 8 SER C C 8 174.832 173.661 1.171 1
1 7 . 14 1 1 A 9 9 ASP N N 9 122.244 122.396 -0.152 1
1 8 . 14 1 1 A 9 9 ASP H H 9 8.460 8.598 -0.138 1
1 9 . 14 1 1 A 9 9 ASP CA C 9 54.943 53.586 1.357 1
1 10 . 14 1 1 A 9 9 ASP HA H 9 4.730 5.144 -0.414 1
1 11 . 14 1 1 A 9 9 ASP CB C 9 41.125 42.944 -1.819 1
1 13 . 14 1 1 A 9 9 ASP C C 9 176.845 175.108 1.737 1
1 15 . 14 1 1 A 10 10 ASP N N 10 120.929 120.985 -0.056 1
1 16 . 14 1 1 A 10 10 ASP H H 10 8.121 8.978 -0.857 1
1 17 . 14 1 1 A 10 10 ASP CA C 10 55.841 52.881 2.960 1
1 18 . 14 1 1 A 10 10 ASP HA H 10 4.523 4.966 -0.443 1
1 19 . 14 1 1 A 10 10 ASP CB C 10 41.834 40.679 1.155 1
1 21 . 14 1 1 A 10 10 ASP C C 10 177.047 175.841 1.206 1
1 23 . 14 1 1 A 11 11 ALA N N 11 122.815 125.077 -2.262 1
1 24 . 14 1 1 A 11 11 ALA H H 11 8.520 8.537 -0.017 1
1 25 . 14 1 1 A 11 11 ALA CA C 11 54.828 53.081 1.747 1
1 26 . 14 1 1 A 11 11 ALA HA H 11 4.004 4.003 0.001 1
1 27 . 14 1 1 A 11 11 ALA CB C 11 19.454 19.672 -0.218 1
1 31 . 14 1 1 A 11 11 ALA C C 11 179.280 178.455 0.825 1
1 32 . 14 1 1 A 12 12 ARG N N 12 115.782 117.047 -1.265 1
1 33 . 14 1 1 A 12 12 ARG H H 12 8.159 7.926 0.233 1
1 34 . 14 1 1 A 12 12 ARG CA C 12 57.578 57.935 -0.357 1
1 35 . 14 1 1 A 12 12 ARG HA H 12 4.310 4.183 0.127 1
1 36 . 14 1 1 A 12 12 ARG CB C 12 29.817 30.161 -0.344 1
1 42 . 14 1 1 A 12 12 ARG C C 12 176.412 177.586 -1.174 1
1 46 . 14 1 1 A 13 13 ARG N N 13 117.438 117.071 0.367 1
1 47 . 14 1 1 A 13 13 ARG H H 13 7.858 7.471 0.387 1
1 48 . 14 1 1 A 13 13 ARG CA C 13 56.855 55.468 1.387 1
1 49 . 14 1 1 A 13 13 ARG HA H 13 4.183 4.423 -0.240 1
1 50 . 14 1 1 A 13 13 ARG CB C 13 30.976 29.674 1.302 1
1 56 . 14 1 1 A 13 13 ARG C C 13 176.451 174.329 2.122 1
1 60 . 14 1 1 A 14 14 LEU N N 14 121.077 121.041 0.036 1
1 61 . 14 1 1 A 14 14 LEU H H 14 6.925 7.436 -0.511 1
1 62 . 14 1 1 A 14 14 LEU CA C 14 56.582 53.648 2.934 1
1 63 . 14 1 1 A 14 14 LEU HA H 14 4.394 4.898 -0.504 1
1 64 . 14 1 1 A 14 14 LEU CB C 14 42.968 45.176 -2.208 1
1 76 . 14 1 1 A 14 14 LEU C C 14 177.296 175.067 2.229 1
1 78 . 14 1 1 A 15 15 THR N N 15 115.028 121.377 -6.349 1
1 79 . 14 1 1 A 15 15 THR H H 15 8.716 8.921 -0.205 1
1 80 . 14 1 1 A 15 15 THR CA C 15 61.169 61.981 -0.812 1
1 81 . 14 1 1 A 15 15 THR HA H 15 4.667 4.953 -0.286 1
1 82 . 14 1 1 A 15 15 THR CB C 15 71.348 70.315 1.033 1
1 88 . 14 1 1 A 15 15 THR C C 15 173.454 173.449 0.005 1
1 89 . 14 1 1 A 16 16 VAL N N 16 126.736 128.353 -1.617 1
1 90 . 14 1 1 A 16 16 VAL H H 16 8.727 8.932 -0.205 1
1 91 . 14 1 1 A 16 16 VAL CA C 16 62.600 61.943 0.657 1
1 92 . 14 1 1 A 16 16 VAL HA H 16 4.539 4.427 0.112 1
1 93 . 14 1 1 A 16 16 VAL CB C 16 32.521 31.925 0.596 1
1 103 . 14 1 1 A 16 16 VAL C C 16 175.348 175.131 0.217 1
1 104 . 14 1 1 A 17 17 MET N N 17 126.444 125.085 1.359 1
1 105 . 14 1 1 A 17 17 MET H H 17 9.255 8.903 0.352 1
1 106 . 14 1 1 A 17 17 MET CA C 17 54.872 53.947 0.925 1
1 107 . 14 1 1 A 17 17 MET HA H 17 4.806 4.863 -0.057 1
1 108 . 14 1 1 A 17 17 MET CB C 17 35.443 35.781 -0.338 1
1 116 . 14 1 1 A 17 17 MET C C 17 174.681 176.260 -1.579 1
1 119 . 14 1 1 A 18 18 SER N N 18 112.443 117.207 -4.764 1
1 120 . 14 1 1 A 18 18 SER H H 18 8.568 9.002 -0.434 1
1 121 . 14 1 1 A 18 18 SER CA C 18 58.711 58.819 -0.108 1
1 122 . 14 1 1 A 18 18 SER HA H 18 4.018 4.116 -0.098 1
1 123 . 14 1 1 A 18 18 SER CB C 18 62.009 61.523 0.486 1
1 125 . 14 1 1 A 18 18 SER C C 18 173.373 174.119 -0.746 1
1 127 . 14 1 1 A 19 19 LEU N N 19 122.011 122.060 -0.049 1
1 128 . 14 1 1 A 19 19 LEU H H 19 7.996 7.749 0.247 1
1 129 . 14 1 1 A 19 19 LEU CA C 19 54.978 53.979 0.999 1
1 130 . 14 1 1 A 19 19 LEU HA H 19 4.283 4.857 -0.574 1
1 131 . 14 1 1 A 19 19 LEU CB C 19 41.955 43.765 -1.810 1
1 143 . 14 1 1 A 19 19 LEU C C 19 176.135 175.227 0.908 1
1 145 . 14 1 1 A 20 20 GLN N N 20 127.739 127.162 0.577 1
1 146 . 14 1 1 A 20 20 GLN H H 20 8.669 8.812 -0.143 1
1 147 . 14 1 1 A 20 20 GLN CA C 20 55.617 54.484 1.133 1
1 148 . 14 1 1 A 20 20 GLN HA H 20 4.400 4.751 -0.351 1
1 149 . 14 1 1 A 20 20 GLN CB C 20 29.298 30.423 -1.125 1
1 156 . 14 1 1 A 20 20 GLN C C 20 175.033 175.824 -0.791 1
1 159 . 14 1 1 A 21 21 GLU N N 21 121.152 124.320 -3.168 1
1 160 . 14 1 1 A 21 21 GLU H H 21 8.546 8.713 -0.167 1
1 161 . 14 1 1 A 21 21 GLU CA C 21 57.598 57.112 0.486 1
1 162 . 14 1 1 A 21 21 GLU HA H 21 4.310 4.545 -0.235 1
1 163 . 14 1 1 A 21 21 GLU CB C 21 30.764 31.208 -0.444 1
1 167 . 14 1 1 A 21 21 GLU C C 21 176.581 176.983 -0.402 1
1 170 . 14 1 1 A 22 22 SER N N 22 113.328 112.085 1.243 1
1 171 . 14 1 1 A 22 22 SER H H 22 8.018 7.903 0.115 1
1 172 . 14 1 1 A 22 22 SER CA C 22 57.682 57.479 0.203 1
1 173 . 14 1 1 A 22 22 SER HA H 22 4.997 4.683 0.314 1
1 174 . 14 1 1 A 22 22 SER CB C 22 64.489 63.438 1.051 1
1 176 . 14 1 1 A 22 22 SER C C 22 174.062 175.072 -1.010 1
1 178 . 14 1 1 A 23 23 GLY N N 23 109.317 110.647 -1.330 1
1 179 . 14 1 1 A 23 23 GLY H H 23 8.828 7.858 0.970 1
1 180 . 14 1 1 A 23 23 GLY CA C 23 45.609 45.434 0.175 1
1 181 . 14 1 1 A 23 23 GLY HA3 H 23 4.116 4.032 0.084 1
1 182 . 14 1 1 A 23 23 GLY C C 23 174.629 174.468 0.161 1
1 183 . 14 1 1 A 23 23 GLY HA2 H 23 3.832 4.031 -0.199 1
1 184 . 14 1 1 A 24 24 LEU N N 24 120.545 122.036 -1.491 1
1 185 . 14 1 1 A 24 24 LEU H H 24 7.559 7.215 0.344 1
1 186 . 14 1 1 A 24 24 LEU CA C 24 55.569 55.556 0.013 1
1 187 . 14 1 1 A 24 24 LEU HA H 24 4.310 4.166 0.144 1
1 188 . 14 1 1 A 24 24 LEU CB C 24 42.978 42.462 0.516 1
1 200 . 14 1 1 A 24 24 LEU C C 24 176.704 175.860 0.844 1
1 202 . 14 1 1 A 25 25 LYS N N 25 122.188 122.477 -0.289 1
1 203 . 14 1 1 A 25 25 LYS H H 25 8.828 8.741 0.087 1
1 204 . 14 1 1 A 25 25 LYS CA C 25 54.686 54.720 -0.034 1
1 205 . 14 1 1 A 25 25 LYS HA H 25 4.676 4.933 -0.257 1
1 206 . 14 1 1 A 25 25 LYS CB C 25 35.736 35.694 0.042 1
1 214 . 14 1 1 A 25 25 LYS C C 25 175.885 176.549 -0.664 1
1 219 . 14 1 1 A 26 26 VAL N N 26 121.689 124.263 -2.574 1
1 220 . 14 1 1 A 26 26 VAL H H 26 8.503 8.534 -0.031 1
1 221 . 14 1 1 A 26 26 VAL CA C 26 64.069 62.318 1.751 1
1 222 . 14 1 1 A 26 26 VAL HA H 26 3.218 4.017 -0.799 1
1 223 . 14 1 1 A 26 26 VAL CB C 26 31.636 32.059 -0.423 1
1 233 . 14 1 1 A 26 26 VAL C C 26 175.837 175.770 0.067 1
1 234 . 14 1 1 A 27 27 ASN N N 27 116.772 118.512 -1.740 1
1 235 . 14 1 1 A 27 27 ASN H H 27 8.682 8.955 -0.273 1
1 236 . 14 1 1 A 27 27 ASN CA C 27 55.183 54.397 0.786 1
1 237 . 14 1 1 A 27 27 ASN HA H 27 4.138 4.411 -0.273 1
1 238 . 14 1 1 A 27 27 ASN CB C 27 37.242 37.038 0.204 1
1 243 . 14 1 1 A 27 27 ASN C C 27 173.308 173.890 -0.582 1
1 245 . 14 1 1 A 28 28 GLN N N 28 118.793 117.147 1.646 1
1 246 . 14 1 1 A 28 28 GLN H H 28 7.544 7.635 -0.091 1
1 247 . 14 1 1 A 28 28 GLN CA C 28 52.212 52.422 -0.210 1
1 248 . 14 1 1 A 28 28 GLN HA H 28 4.893 4.717 0.176 1
1 249 . 14 1 1 A 28 28 GLN CB C 28 30.060 31.172 -1.112 1
1 256 . 14 1 1 A 28 28 GLN C C 28 173.078 173.279 -0.201 1
1 259 . 14 1 1 A 29 29 PRO CA C 29 63.563 62.793 0.770 1
1 260 . 14 1 1 A 29 29 PRO HA H 29 4.294 4.567 -0.273 1
1 261 . 14 1 1 A 29 29 PRO CB C 29 31.874 31.609 0.265 1
1 267 . 14 1 1 A 29 29 PRO C C 29 175.250 175.728 -0.478 1
1 271 . 14 1 1 A 30 30 ALA N N 30 128.803 126.588 2.215 1
1 272 . 14 1 1 A 30 30 ALA H H 30 8.887 8.213 0.674 1
1 273 . 14 1 1 A 30 30 ALA CA C 30 50.558 50.331 0.227 1
1 274 . 14 1 1 A 30 30 ALA HA H 30 4.539 4.938 -0.399 1
1 275 . 14 1 1 A 30 30 ALA CB C 30 21.602 21.640 -0.038 1
1 279 . 14 1 1 A 30 30 ALA C C 30 175.510 175.324 0.186 1
1 280 . 14 1 1 A 31 31 SER N N 31 112.512 117.325 -4.813 1
1 281 . 14 1 1 A 31 31 SER H H 31 8.214 8.899 -0.685 1
1 282 . 14 1 1 A 31 31 SER CA C 31 56.701 56.074 0.627 1
1 283 . 14 1 1 A 31 31 SER HA H 31 5.832 5.426 0.406 1
1 284 . 14 1 1 A 31 31 SER CB C 31 66.721 66.360 0.361 1
1 286 . 14 1 1 A 31 31 SER C C 31 173.379 172.410 0.969 1
1 288 . 14 1 1 A 32 32 PHE N N 32 119.232 118.676 0.556 1
1 289 . 14 1 1 A 32 32 PHE H H 32 8.798 8.062 0.736 1
1 290 . 14 1 1 A 32 32 PHE CA C 32 56.218 55.753 0.465 1
1 291 . 14 1 1 A 32 32 PHE HA H 32 4.925 5.242 -0.317 1
1 292 . 14 1 1 A 32 32 PHE CB C 32 39.752 41.878 -2.126 1
1 304 . 14 1 1 A 32 32 PHE C C 32 172.709 172.032 0.677 1
1 306 . 14 1 1 A 33 33 ALA N N 33 122.788 122.246 0.542 1
1 307 . 14 1 1 A 33 33 ALA H H 33 8.827 8.849 -0.022 1
1 308 . 14 1 1 A 33 33 ALA CA C 33 50.616 50.193 0.423 1
1 309 . 14 1 1 A 33 33 ALA HA H 33 5.654 5.536 0.118 1
1 310 . 14 1 1 A 33 33 ALA CB C 33 22.616 21.709 0.907 1
1 314 . 14 1 1 A 33 33 ALA C C 33 175.770 175.853 -0.083 1
1 315 . 14 1 1 A 34 34 ILE N N 34 118.542 122.805 -4.263 1
1 316 . 14 1 1 A 34 34 ILE H H 34 9.194 9.149 0.045 1
1 317 . 14 1 1 A 34 34 ILE CA C 34 59.486 60.401 -0.915 1
1 318 . 14 1 1 A 34 34 ILE HA H 34 4.978 4.724 0.254 1
1 319 . 14 1 1 A 34 34 ILE CB C 34 42.577 40.041 2.536 1
1 331 . 14 1 1 A 34 34 ILE C C 34 174.924 174.549 0.375 1
1 333 . 14 1 1 A 35 35 ARG N N 35 126.774 128.932 -2.158 1
1 334 . 14 1 1 A 35 35 ARG H H 35 9.038 9.208 -0.170 1
1 335 . 14 1 1 A 35 35 ARG CA C 35 54.096 56.173 -2.077 1
1 336 . 14 1 1 A 35 35 ARG HA H 35 5.283 4.718 0.565 1
1 337 . 14 1 1 A 35 35 ARG CB C 35 32.039 31.426 0.613 1
1 343 . 14 1 1 A 35 35 ARG C C 35 175.959 174.942 1.017 1
1 347 . 14 1 1 A 36 36 LEU N N 36 123.887 126.764 -2.877 1
1 348 . 14 1 1 A 36 36 LEU H H 36 8.648 8.566 0.082 1
1 349 . 14 1 1 A 36 36 LEU CA C 36 56.318 53.571 2.747 1
1 350 . 14 1 1 A 36 36 LEU HA H 36 4.037 4.861 -0.824 1
1 351 . 14 1 1 A 36 36 LEU CB C 36 41.028 43.223 -2.195 1
1 363 . 14 1 1 A 36 36 LEU C C 36 177.292 176.315 0.977 1
1 365 . 14 1 1 A 37 37 ASN N N 37 115.087 122.771 -7.684 1
1 366 . 14 1 1 A 37 37 ASN H H 37 8.594 8.787 -0.193 1
1 367 . 14 1 1 A 37 37 ASN CA C 37 54.182 53.126 1.056 1
1 368 . 14 1 1 A 37 37 ASN HA H 37 4.407 4.813 -0.406 1
1 369 . 14 1 1 A 37 37 ASN CB C 37 37.687 38.612 -0.925 1
1 374 . 14 1 1 A 37 37 ASN C C 37 176.277 175.370 0.907 1
1 376 . 14 1 1 A 38 38 GLY N N 38 106.329 107.360 -1.031 1
1 377 . 14 1 1 A 38 38 GLY H H 38 9.506 7.950 1.556 1
1 378 . 14 1 1 A 38 38 GLY CA C 38 45.290 45.350 -0.060 1
1 379 . 14 1 1 A 38 38 GLY HA3 H 38 4.156 4.048 0.108 1
1 380 . 14 1 1 A 38 38 GLY C C 38 174.483 174.078 0.405 1
1 381 . 14 1 1 A 38 38 GLY HA2 H 38 3.617 4.034 -0.417 1
1 382 . 14 1 1 A 39 39 ALA N N 39 124.015 122.828 1.187 1
1 383 . 14 1 1 A 39 39 ALA H H 39 7.483 7.706 -0.223 1
1 384 . 14 1 1 A 39 39 ALA CA C 39 52.396 50.567 1.829 1
1 385 . 14 1 1 A 39 39 ALA HA H 39 4.280 4.567 -0.287 1
1 386 . 14 1 1 A 39 39 ALA CB C 39 20.424 20.555 -0.131 1
1 390 . 14 1 1 A 39 39 ALA C C 39 176.275 177.067 -0.792 1
1 391 . 14 1 1 A 40 40 LYS N N 40 119.513 120.522 -1.009 1
1 392 . 14 1 1 A 40 40 LYS H H 40 8.685 9.065 -0.380 1
1 393 . 14 1 1 A 40 40 LYS CA C 40 54.696 54.651 0.045 1
1 394 . 14 1 1 A 40 40 LYS HA H 40 4.811 5.453 -0.642 1
1 395 . 14 1 1 A 40 40 LYS CB C 40 34.324 36.577 -2.253 1
1 403 . 14 1 1 A 40 40 LYS C C 40 176.004 175.388 0.616 1
1 408 . 14 1 1 A 41 41 GLY N N 41 111.941 106.904 5.037 1
1 409 . 14 1 1 A 41 41 GLY H H 41 8.398 8.356 0.042 1
1 410 . 14 1 1 A 41 41 GLY CA C 41 45.887 45.740 0.147 1
1 411 . 14 1 1 A 41 41 GLY HA3 H 41 3.722 4.145 -0.423 1
1 412 . 14 1 1 A 41 41 GLY C C 41 171.021 171.937 -0.916 1
1 413 . 14 1 1 A 41 41 GLY HA2 H 41 3.722 3.937 -0.215 1
1 414 . 14 1 1 A 42 42 LYS N N 42 119.600 122.676 -3.076 1
1 415 . 14 1 1 A 42 42 LYS H H 42 7.293 7.796 -0.503 1
1 416 . 14 1 1 A 42 42 LYS CA C 42 54.522 54.943 -0.421 1
1 417 . 14 1 1 A 42 42 LYS HA H 42 4.467 4.822 -0.355 1
1 418 . 14 1 1 A 42 42 LYS CB C 42 34.979 33.258 1.721 1
1 426 . 14 1 1 A 42 42 LYS C C 42 175.675 175.525 0.150 1
1 431 . 14 1 1 A 43 43 ILE N N 43 127.421 125.271 2.150 1
1 432 . 14 1 1 A 43 43 ILE H H 43 8.706 8.552 0.154 1
1 433 . 14 1 1 A 43 43 ILE CA C 43 60.336 61.240 -0.904 1
1 434 . 14 1 1 A 43 43 ILE HA H 43 4.695 4.245 0.450 1
1 435 . 14 1 1 A 43 43 ILE CB C 43 39.322 37.890 1.432 1
1 447 . 14 1 1 A 43 43 ILE C C 43 174.542 175.204 -0.662 1
1 449 . 14 1 1 A 44 44 ASP N N 44 127.995 126.311 1.684 1
1 450 . 14 1 1 A 44 44 ASP H H 44 8.861 8.609 0.252 1
1 451 . 14 1 1 A 44 44 ASP CA C 44 53.245 52.754 0.491 1
1 452 . 14 1 1 A 44 44 ASP HA H 44 4.817 5.404 -0.587 1
1 453 . 14 1 1 A 44 44 ASP CB C 44 44.577 44.598 -0.021 1
1 455 . 14 1 1 A 44 44 ASP C C 44 173.768 174.877 -1.109 1
1 457 . 14 1 1 A 45 45 ALA N N 45 127.601 124.116 3.485 1
1 458 . 14 1 1 A 45 45 ALA H H 45 8.819 9.003 -0.184 1
1 459 . 14 1 1 A 45 45 ALA CA C 45 50.180 51.554 -1.374 1
1 460 . 14 1 1 A 45 45 ALA HA H 45 5.859 5.296 0.563 1
1 461 . 14 1 1 A 45 45 ALA CB C 45 21.379 21.509 -0.130 1
1 465 . 14 1 1 A 45 45 ALA C C 45 175.393 176.039 -0.646 1
1 466 . 14 1 1 A 46 46 LYS N N 46 122.427 121.481 0.946 1
1 467 . 14 1 1 A 46 46 LYS H H 46 8.723 8.348 0.375 1
1 468 . 14 1 1 A 46 46 LYS CA C 46 55.090 54.783 0.307 1
1 469 . 14 1 1 A 46 46 LYS HA H 46 5.057 4.933 0.124 1
1 470 . 14 1 1 A 46 46 LYS CB C 46 37.534 36.824 0.710 1
1 478 . 14 1 1 A 46 46 LYS C C 46 173.473 174.503 -1.030 1
1 483 . 14 1 1 A 47 47 VAL N N 47 120.177 122.276 -2.099 1
1 484 . 14 1 1 A 47 47 VAL H H 47 8.989 8.859 0.130 1
1 485 . 14 1 1 A 47 47 VAL CA C 47 59.152 60.373 -1.221 1
1 486 . 14 1 1 A 47 47 VAL HA H 47 4.875 4.649 0.226 1
1 487 . 14 1 1 A 47 47 VAL CB C 47 34.502 33.787 0.715 1
1 497 . 14 1 1 A 47 47 VAL C C 47 173.786 173.912 -0.126 1
1 498 . 14 1 1 A 48 48 HIS N N 48 127.949 127.299 0.650 1
1 499 . 14 1 1 A 48 48 HIS H H 48 9.661 9.366 0.295 1
1 500 . 14 1 1 A 48 48 HIS CA C 48 53.917 54.560 -0.643 1
1 501 . 14 1 1 A 48 48 HIS HA H 48 5.238 5.434 -0.196 1
1 502 . 14 1 1 A 48 48 HIS CB C 48 30.549 32.788 -2.239 1
1 508 . 14 1 1 A 48 48 HIS C C 48 175.556 174.541 1.015 1
1 510 . 14 1 1 A 49 49 SER N N 49 121.639 115.402 6.237 1
1 511 . 14 1 1 A 49 49 SER H H 49 9.114 8.314 0.800 1
1 512 . 14 1 1 A 49 49 SER CA C 49 56.693 55.535 1.158 1
1 513 . 14 1 1 A 49 49 SER HA H 49 4.391 4.900 -0.509 1
1 514 . 14 1 1 A 49 49 SER CB C 49 63.160 66.014 -2.854 1
1 516 . 14 1 1 A 49 49 SER C C 49 174.390 174.584 -0.194 1
1 518 . 14 1 1 A 50 50 PRO CA C 50 65.732 64.146 1.586 1
1 519 . 14 1 1 A 50 50 PRO HA H 50 4.247 4.509 -0.262 1
1 520 . 14 1 1 A 50 50 PRO CB C 50 31.516 31.593 -0.077 1
1 526 . 14 1 1 A 50 50 PRO C C 50 177.969 176.822 1.147 1
1 530 . 14 1 1 A 51 51 SER N N 51 110.808 113.424 -2.616 1
1 531 . 14 1 1 A 51 51 SER H H 51 8.539 7.752 0.787 1
1 532 . 14 1 1 A 51 51 SER CA C 51 59.311 58.074 1.237 1
1 533 . 14 1 1 A 51 51 SER HA H 51 4.331 4.582 -0.251 1
1 534 . 14 1 1 A 51 51 SER CB C 51 62.767 63.482 -0.715 1
1 536 . 14 1 1 A 51 51 SER C C 51 175.339 174.104 1.235 1
1 538 . 14 1 1 A 52 52 GLY N N 52 110.692 110.351 0.341 1
1 539 . 14 1 1 A 52 52 GLY H H 52 8.181 8.047 0.134 1
1 540 . 14 1 1 A 52 52 GLY CA C 52 44.862 46.496 -1.634 1
1 541 . 14 1 1 A 52 52 GLY HA3 H 52 4.444 3.983 0.461 1
1 542 . 14 1 1 A 52 52 GLY C C 52 174.389 174.336 0.053 1
1 543 . 14 1 1 A 52 52 GLY HA2 H 52 3.634 3.970 -0.336 1
1 544 . 14 1 1 A 53 53 ALA N N 53 124.417 122.543 1.874 1
1 545 . 14 1 1 A 53 53 ALA H H 53 7.419 7.779 -0.360 1
1 546 . 14 1 1 A 53 53 ALA CA C 53 52.538 50.555 1.983 1
1 547 . 14 1 1 A 53 53 ALA HA H 53 4.373 4.794 -0.421 1
1 548 . 14 1 1 A 53 53 ALA CB C 53 19.207 22.502 -3.295 1
1 552 . 14 1 1 A 53 53 ALA C C 53 176.519 175.659 0.860 1
1 553 . 14 1 1 A 54 54 VAL N N 54 121.228 120.438 0.790 1
1 554 . 14 1 1 A 54 54 VAL H H 54 8.429 8.888 -0.459 1
1 555 . 14 1 1 A 54 54 VAL CA C 54 60.672 61.484 -0.812 1
1 556 . 14 1 1 A 54 54 VAL HA H 54 4.980 4.504 0.476 1
1 557 . 14 1 1 A 54 54 VAL CB C 54 33.933 34.412 -0.479 1
1 567 . 14 1 1 A 54 54 VAL C C 54 175.443 174.652 0.791 1
1 568 . 14 1 1 A 55 55 GLU N N 55 126.290 127.350 -1.060 1
1 569 . 14 1 1 A 55 55 GLU H H 55 8.640 8.671 -0.031 1
1 570 . 14 1 1 A 55 55 GLU CA C 55 54.306 54.505 -0.199 1
1 571 . 14 1 1 A 55 55 GLU HA H 55 4.754 4.796 -0.042 1
1 572 . 14 1 1 A 55 55 GLU CB C 55 33.612 31.948 1.664 1
1 576 . 14 1 1 A 55 55 GLU C C 55 175.073 176.135 -1.062 1
1 579 . 14 1 1 A 56 56 GLU N N 56 123.200 122.290 0.910 1
1 580 . 14 1 1 A 56 56 GLU H H 56 8.878 8.620 0.258 1
1 581 . 14 1 1 A 56 56 GLU CA C 56 56.966 56.565 0.401 1
1 582 . 14 1 1 A 56 56 GLU HA H 56 4.479 4.657 -0.178 1
1 583 . 14 1 1 A 56 56 GLU CB C 56 30.258 30.643 -0.385 1
1 587 . 14 1 1 A 56 56 GLU C C 56 177.592 176.190 1.402 1
1 590 . 14 1 1 A 57 57 CYS N N 57 121.919 123.382 -1.463 1
1 591 . 14 1 1 A 57 57 CYS H H 57 8.496 8.332 0.164 1
1 592 . 14 1 1 A 57 57 CYS CA C 57 59.030 58.061 0.969 1
1 593 . 14 1 1 A 57 57 CYS HA H 57 4.690 4.864 -0.174 1
1 594 . 14 1 1 A 57 57 CYS CB C 57 29.620 28.209 1.411 1
1 596 . 14 1 1 A 57 57 CYS C C 57 173.871 174.358 -0.487 1
1 598 . 14 1 1 A 58 58 HIS N N 58 123.415 124.440 -1.025 1
1 599 . 14 1 1 A 58 58 HIS H H 58 8.961 8.682 0.279 1
1 600 . 14 1 1 A 58 58 HIS CA C 58 56.751 57.159 -0.408 1
1 601 . 14 1 1 A 58 58 HIS HA H 58 4.725 4.597 0.128 1
1 602 . 14 1 1 A 58 58 HIS CB C 58 31.813 29.961 1.852 1
1 608 . 14 1 1 A 58 58 HIS C C 58 174.903 173.772 1.131 1
1 610 . 14 1 1 A 59 59 VAL N N 59 128.900 128.960 -0.060 1
1 611 . 14 1 1 A 59 59 VAL H H 59 8.521 8.832 -0.311 1
1 612 . 14 1 1 A 59 59 VAL CA C 59 61.131 61.105 0.026 1
1 613 . 14 1 1 A 59 59 VAL HA H 59 5.142 4.846 0.296 1
1 614 . 14 1 1 A 59 59 VAL CB C 59 33.825 33.086 0.739 1
1 624 . 14 1 1 A 59 59 VAL C C 59 175.539 174.637 0.902 1
1 625 . 14 1 1 A 60 60 SER N N 60 120.428 125.737 -5.309 1
1 626 . 14 1 1 A 60 60 SER H H 60 8.995 8.787 0.208 1
1 627 . 14 1 1 A 60 60 SER CA C 60 56.782 57.647 -0.865 1
1 628 . 14 1 1 A 60 60 SER HA H 60 4.823 4.963 -0.140 1
1 629 . 14 1 1 A 60 60 SER CB C 60 65.880 64.102 1.778 1
1 631 . 14 1 1 A 60 60 SER C C 60 172.353 172.943 -0.590 1
1 633 . 14 1 1 A 61 61 GLU N N 61 125.163 127.106 -1.943 1
1 634 . 14 1 1 A 61 61 GLU H H 61 8.894 8.594 0.300 1
1 635 . 14 1 1 A 61 61 GLU CA C 61 57.081 56.125 0.956 1
1 636 . 14 1 1 A 61 61 GLU HA H 61 3.545 3.969 -0.424 1
1 637 . 14 1 1 A 61 61 GLU CB C 61 30.675 29.265 1.410 1
1 641 . 14 1 1 A 61 61 GLU C C 61 176.353 175.981 0.372 1
1 644 . 14 1 1 A 62 62 LEU N N 62 129.563 128.303 1.260 1
1 645 . 14 1 1 A 62 62 LEU H H 62 8.800 8.258 0.542 1
1 646 . 14 1 1 A 62 62 LEU CA C 62 56.462 56.053 0.409 1
1 647 . 14 1 1 A 62 62 LEU HA H 62 4.341 4.324 0.017 1
1 648 . 14 1 1 A 62 62 LEU CB C 62 44.020 42.629 1.391 1
1 660 . 14 1 1 A 62 62 LEU C C 62 176.662 177.125 -0.463 1
1 662 . 14 1 1 A 63 63 GLU N N 63 117.143 117.351 -0.208 1
1 663 . 14 1 1 A 63 63 GLU H H 63 8.292 7.320 0.972 1
1 664 . 14 1 1 A 63 63 GLU CA C 63 53.777 53.072 0.705 1
1 665 . 14 1 1 A 63 63 GLU HA H 63 4.655 4.689 -0.034 1
1 666 . 14 1 1 A 63 63 GLU CB C 63 29.768 31.401 -1.633 1
1 670 . 14 1 1 A 63 63 GLU C C 63 172.058 176.103 -4.045 1
1 673 . 14 1 1 A 64 64 PRO CA C 64 65.767 64.348 1.419 1
1 674 . 14 1 1 A 64 64 PRO HA H 64 4.227 4.583 -0.356 1
1 675 . 14 1 1 A 64 64 PRO CB C 64 31.005 31.844 -0.839 1
1 681 . 14 1 1 A 64 64 PRO C C 64 177.068 177.087 -0.019 1
1 685 . 14 1 1 A 65 65 ASP N N 65 118.425 115.930 2.495 1
1 686 . 14 1 1 A 65 65 ASP H H 65 8.965 8.600 0.365 1
1 687 . 14 1 1 A 65 65 ASP CA C 65 55.827 53.734 2.093 1
1 688 . 14 1 1 A 65 65 ASP HA H 65 4.589 4.807 -0.218 1
1 689 . 14 1 1 A 65 65 ASP CB C 65 43.713 41.605 2.108 1
1 691 . 14 1 1 A 65 65 ASP C C 65 174.921 175.342 -0.421 1
1 693 . 14 1 1 A 66 66 LYS N N 66 120.940 119.697 1.243 1
1 694 . 14 1 1 A 66 66 LYS H H 66 8.476 7.256 1.220 1
1 695 . 14 1 1 A 66 66 LYS CA C 66 55.938 55.731 0.207 1
1 696 . 14 1 1 A 66 66 LYS HA H 66 5.476 5.058 0.418 1
1 697 . 14 1 1 A 66 66 LYS CB C 66 36.812 36.199 0.613 1
1 705 . 14 1 1 A 66 66 LYS C C 66 173.912 174.059 -0.147 1
1 710 . 14 1 1 A 67 67 TYR N N 67 126.047 123.458 2.589 1
1 711 . 14 1 1 A 67 67 TYR H H 67 9.291 9.000 0.291 1
1 712 . 14 1 1 A 67 67 TYR CA C 67 56.589 56.388 0.201 1
1 713 . 14 1 1 A 67 67 TYR HA H 67 5.136 5.295 -0.159 1
1 714 . 14 1 1 A 67 67 TYR CB C 67 41.933 43.713 -1.780 1
1 724 . 14 1 1 A 67 67 TYR C C 67 174.424 174.209 0.215 1
1 726 . 14 1 1 A 68 68 ALA N N 68 123.234 122.721 0.513 1
1 727 . 14 1 1 A 68 68 ALA H H 68 9.393 8.832 0.561 1
1 728 . 14 1 1 A 68 68 ALA CA C 68 50.620 50.604 0.016 1
1 729 . 14 1 1 A 68 68 ALA HA H 68 5.002 5.343 -0.341 1
1 730 . 14 1 1 A 68 68 ALA CB C 68 21.211 22.934 -1.723 1
1 734 . 14 1 1 A 68 68 ALA C C 68 176.258 175.761 0.497 1
1 735 . 14 1 1 A 69 69 VAL N N 69 121.910 120.752 1.158 1
1 736 . 14 1 1 A 69 69 VAL H H 69 8.412 8.421 -0.009 1
1 737 . 14 1 1 A 69 69 VAL CA C 69 61.147 61.256 -0.109 1
1 738 . 14 1 1 A 69 69 VAL HA H 69 4.587 4.785 -0.198 1
1 739 . 14 1 1 A 69 69 VAL CB C 69 32.409 34.004 -1.595 1
1 749 . 14 1 1 A 69 69 VAL C C 69 174.300 173.762 0.538 1
1 750 . 14 1 1 A 70 70 ARG N N 70 125.218 129.896 -4.678 1
1 751 . 14 1 1 A 70 70 ARG H H 70 8.926 9.291 -0.365 1
1 752 . 14 1 1 A 70 70 ARG CA C 70 54.404 54.720 -0.316 1
1 753 . 14 1 1 A 70 70 ARG HA H 70 5.665 4.942 0.723 1
1 754 . 14 1 1 A 70 70 ARG CB C 70 34.966 31.700 3.266 1
1 760 . 14 1 1 A 70 70 ARG C C 70 175.124 175.102 0.022 1
1 764 . 14 1 1 A 71 71 PHE N N 71 120.657 120.563 0.094 1
1 765 . 14 1 1 A 71 71 PHE H H 71 8.780 8.604 0.176 1
1 766 . 14 1 1 A 71 71 PHE CA C 71 55.969 56.072 -0.103 1
1 767 . 14 1 1 A 71 71 PHE HA H 71 5.082 5.050 0.032 1
1 768 . 14 1 1 A 71 71 PHE CB C 71 41.335 41.068 0.267 1
1 780 . 14 1 1 A 71 71 PHE C C 71 171.920 172.019 -0.099 1
1 782 . 14 1 1 A 72 72 ILE N N 72 120.347 121.886 -1.539 1
1 783 . 14 1 1 A 72 72 ILE H H 72 8.714 8.867 -0.153 1
1 784 . 14 1 1 A 72 72 ILE CA C 72 57.669 57.798 -0.129 1
1 785 . 14 1 1 A 72 72 ILE HA H 72 4.469 4.340 0.129 1
1 786 . 14 1 1 A 72 72 ILE CB C 72 39.824 38.271 1.553 1
1 798 . 14 1 1 A 72 72 ILE C C 72 173.612 174.633 -1.021 1
1 800 . 14 1 1 A 73 73 PRO CA C 73 62.050 62.237 -0.187 1
1 801 . 14 1 1 A 73 73 PRO HA H 73 4.493 4.943 -0.450 1
1 802 . 14 1 1 A 73 73 PRO CB C 73 33.680 29.184 4.496 1
1 808 . 14 1 1 A 73 73 PRO C C 73 176.990 175.460 1.530 1
1 812 . 14 1 1 A 74 74 HIS N N 74 119.655 117.673 1.982 1
1 813 . 14 1 1 A 74 74 HIS H H 74 10.240 8.585 1.655 1
1 814 . 14 1 1 A 74 74 HIS CA C 74 54.660 53.810 0.850 1
1 815 . 14 1 1 A 74 74 HIS HA H 74 5.035 5.702 -0.667 1
1 816 . 14 1 1 A 74 74 HIS CB C 74 30.530 31.655 -1.125 1
1 822 . 14 1 1 A 74 74 HIS C C 74 173.624 173.621 0.003 1
1 824 . 14 1 1 A 75 75 GLU N N 75 118.178 124.033 -5.855 1
1 825 . 14 1 1 A 75 75 GLU H H 75 7.772 8.875 -1.103 1
1 826 . 14 1 1 A 75 75 GLU CA C 75 54.166 54.974 -0.808 1
1 827 . 14 1 1 A 75 75 GLU HA H 75 4.654 4.636 0.018 1
1 828 . 14 1 1 A 75 75 GLU CB C 75 33.422 33.284 0.138 1
1 832 . 14 1 1 A 75 75 GLU C C 75 173.599 175.532 -1.933 1
1 835 . 14 1 1 A 76 76 ASN N N 76 116.760 121.061 -4.301 1
1 836 . 14 1 1 A 76 76 ASN H H 76 8.530 8.826 -0.296 1
1 837 . 14 1 1 A 76 76 ASN CA C 76 53.486 52.541 0.945 1
1 838 . 14 1 1 A 76 76 ASN HA H 76 4.606 4.863 -0.257 1
1 839 . 14 1 1 A 76 76 ASN CB C 76 40.184 37.408 2.776 1
1 844 . 14 1 1 A 76 76 ASN C C 76 175.598 174.914 0.684 1
1 846 . 14 1 1 A 77 77 GLY N N 77 106.497 107.782 -1.285 1
1 847 . 14 1 1 A 77 77 GLY H H 77 9.152 7.527 1.625 1
1 848 . 14 1 1 A 77 77 GLY CA C 77 43.752 46.108 -2.356 1
1 849 . 14 1 1 A 77 77 GLY HA3 H 77 4.797 4.139 0.658 1
1 850 . 14 1 1 A 77 77 GLY C C 77 176.329 172.007 4.322 1
1 851 . 14 1 1 A 77 77 GLY HA2 H 77 3.897 4.112 -0.215 1
1 852 . 14 1 1 A 78 78 VAL N N 78 124.582 122.742 1.840 1
1 853 . 14 1 1 A 78 78 VAL H H 78 9.334 8.390 0.944 1
1 854 . 14 1 1 A 78 78 VAL CA C 78 64.642 62.425 2.217 1
1 855 . 14 1 1 A 78 78 VAL HA H 78 4.399 4.671 -0.272 1
1 856 . 14 1 1 A 78 78 VAL CB C 78 31.464 32.280 -0.816 1
1 866 . 14 1 1 A 78 78 VAL C C 78 176.269 175.810 0.459 1
1 867 . 14 1 1 A 79 79 HIS N N 79 129.160 126.733 2.427 1
1 868 . 14 1 1 A 79 79 HIS H H 79 9.854 9.393 0.461 1
1 869 . 14 1 1 A 79 79 HIS CA C 79 55.150 55.790 -0.640 1
1 870 . 14 1 1 A 79 79 HIS HA H 79 4.921 5.556 -0.635 1
1 871 . 14 1 1 A 79 79 HIS CB C 79 30.772 32.260 -1.488 1
1 877 . 14 1 1 A 79 79 HIS C C 79 174.062 175.186 -1.124 1
1 879 . 14 1 1 A 80 80 THR N N 80 116.006 114.985 1.021 1
1 880 . 14 1 1 A 80 80 THR H H 80 8.526 8.353 0.173 1
1 881 . 14 1 1 A 80 80 THR CA C 80 60.983 61.777 -0.794 1
1 882 . 14 1 1 A 80 80 THR HA H 80 5.380 5.032 0.348 1
1 883 . 14 1 1 A 80 80 THR CB C 80 70.590 71.377 -0.787 1
1 889 . 14 1 1 A 80 80 THR C C 80 173.671 173.309 0.362 1
1 890 . 14 1 1 A 81 81 ILE N N 81 127.414 128.655 -1.241 1
1 891 . 14 1 1 A 81 81 ILE H H 81 9.745 9.096 0.649 1
1 892 . 14 1 1 A 81 81 ILE CA C 81 60.037 60.752 -0.715 1
1 893 . 14 1 1 A 81 81 ILE HA H 81 4.867 4.405 0.462 1
1 894 . 14 1 1 A 81 81 ILE CB C 81 39.883 38.017 1.866 1
1 906 . 14 1 1 A 81 81 ILE C C 81 175.279 174.730 0.549 1
1 908 . 14 1 1 A 82 82 ASP N N 82 128.375 128.474 -0.099 1
1 909 . 14 1 1 A 82 82 ASP H H 82 9.157 8.848 0.309 1
1 910 . 14 1 1 A 82 82 ASP CA C 82 53.084 52.936 0.148 1
1 911 . 14 1 1 A 82 82 ASP HA H 82 5.060 5.306 -0.246 1
1 912 . 14 1 1 A 82 82 ASP CB C 82 42.929 42.355 0.574 1
1 914 . 14 1 1 A 82 82 ASP C C 82 175.923 174.749 1.174 1
1 916 . 14 1 1 A 83 83 VAL N N 83 125.651 125.932 -0.281 1
1 917 . 14 1 1 A 83 83 VAL H H 83 9.897 9.263 0.634 1
1 918 . 14 1 1 A 83 83 VAL CA C 83 62.407 61.415 0.992 1
1 919 . 14 1 1 A 83 83 VAL HA H 83 4.553 4.722 -0.169 1
1 920 . 14 1 1 A 83 83 VAL CB C 83 33.233 33.032 0.201 1
1 930 . 14 1 1 A 83 83 VAL C C 83 173.327 175.190 -1.863 1
1 931 . 14 1 1 A 84 84 LYS N N 84 124.405 127.336 -2.931 1
1 932 . 14 1 1 A 84 84 LYS H H 84 8.874 8.670 0.204 1
1 933 . 14 1 1 A 84 84 LYS CA C 84 53.901 54.405 -0.504 1
1 934 . 14 1 1 A 84 84 LYS HA H 84 5.065 5.022 0.043 1
1 935 . 14 1 1 A 84 84 LYS CB C 84 36.851 35.460 1.391 1
1 943 . 14 1 1 A 84 84 LYS C C 84 174.760 174.469 0.291 1
1 948 . 14 1 1 A 85 85 PHE N N 85 120.871 123.864 -2.993 1
1 949 . 14 1 1 A 85 85 PHE H H 85 9.167 9.447 -0.280 1
1 950 . 14 1 1 A 85 85 PHE CA C 85 56.014 57.506 -1.492 1
1 951 . 14 1 1 A 85 85 PHE HA H 85 5.157 4.806 0.351 1
1 952 . 14 1 1 A 85 85 PHE CB C 85 42.916 41.850 1.066 1
1 964 . 14 1 1 A 85 85 PHE C C 85 175.473 174.887 0.586 1
1 966 . 14 1 1 A 86 86 ASN N N 86 126.732 125.475 1.257 1
1 967 . 14 1 1 A 86 86 ASN H H 86 8.714 8.720 -0.006 1
1 968 . 14 1 1 A 86 86 ASN CA C 86 53.835 54.215 -0.380 1
1 969 . 14 1 1 A 86 86 ASN HA H 86 4.216 4.298 -0.082 1
1 970 . 14 1 1 A 86 86 ASN CB C 86 36.789 37.431 -0.642 1
1 975 . 14 1 1 A 86 86 ASN C C 86 175.700 175.769 -0.069 1
1 977 . 14 1 1 A 87 87 GLY N N 87 102.449 104.261 -1.812 1
1 978 . 14 1 1 A 87 87 GLY H H 87 8.986 8.615 0.371 1
1 979 . 14 1 1 A 87 87 GLY CA C 87 45.490 46.505 -1.015 1
1 980 . 14 1 1 A 87 87 GLY HA3 H 87 4.223 3.939 0.284 1
1 981 . 14 1 1 A 87 87 GLY C C 87 174.149 173.578 0.571 1
1 982 . 14 1 1 A 87 87 GLY HA2 H 87 3.555 3.937 -0.382 1
1 983 . 14 1 1 A 88 88 SER N N 88 116.260 114.047 2.213 1
1 984 . 14 1 1 A 88 88 SER H H 88 7.670 7.667 0.003 1
1 985 . 14 1 1 A 88 88 SER CA C 88 57.194 57.580 -0.386 1
1 986 . 14 1 1 A 88 88 SER HA H 88 4.935 4.811 0.124 1
1 987 . 14 1 1 A 88 88 SER CB C 88 65.421 66.146 -0.725 1
1 989 . 14 1 1 A 88 88 SER C C 88 173.491 173.236 0.255 1
1 991 . 14 1 1 A 89 89 HIS N N 89 124.290 126.170 -1.880 1
1 992 . 14 1 1 A 89 89 HIS H H 89 8.847 9.066 -0.219 1
1 993 . 14 1 1 A 89 89 HIS CA C 89 59.048 56.614 2.434 1
1 994 . 14 1 1 A 89 89 HIS HA H 89 4.543 4.665 -0.122 1
1 995 . 14 1 1 A 89 89 HIS CB C 89 32.463 29.414 3.049 1
1 1001 . 14 1 1 A 89 89 HIS C C 89 177.441 175.333 2.108 1
1 1003 . 14 1 1 A 90 90 VAL N N 90 116.253 122.907 -6.654 1
1 1004 . 14 1 1 A 90 90 VAL H H 90 8.283 8.169 0.114 1
1 1005 . 14 1 1 A 90 90 VAL CA C 90 60.279 62.478 -2.199 1
1 1006 . 14 1 1 A 90 90 VAL HA H 90 4.291 4.007 0.284 1
1 1007 . 14 1 1 A 90 90 VAL CB C 90 31.601 32.838 -1.237 1
1 1017 . 14 1 1 A 90 90 VAL C C 90 176.074 175.685 0.389 1
1 1018 . 14 1 1 A 91 91 VAL N N 91 123.139 123.841 -0.702 1
1 1019 . 14 1 1 A 91 91 VAL H H 91 8.910 8.478 0.432 1
1 1020 . 14 1 1 A 91 91 VAL CA C 91 66.030 63.558 2.472 1
1 1021 . 14 1 1 A 91 91 VAL HA H 91 3.632 3.770 -0.138 1
1 1022 . 14 1 1 A 91 91 VAL CB C 91 30.897 31.451 -0.554 1
1 1032 . 14 1 1 A 91 91 VAL C C 91 177.012 177.002 0.010 1
1 1033 . 14 1 1 A 92 92 GLY N N 92 116.727 116.565 0.162 1
1 1034 . 14 1 1 A 92 92 GLY H H 92 8.396 8.726 -0.330 1
1 1035 . 14 1 1 A 92 92 GLY CA C 92 44.466 45.514 -1.048 1
1 1036 . 14 1 1 A 92 92 GLY HA3 H 92 4.180 3.677 0.503 1
1 1037 . 14 1 1 A 92 92 GLY C C 92 172.077 172.811 -0.734 1
1 1038 . 14 1 1 A 92 92 GLY HA2 H 92 3.221 3.658 -0.437 1
1 1039 . 14 1 1 A 93 93 SER N N 93 112.885 115.030 -2.145 1
1 1040 . 14 1 1 A 93 93 SER H H 93 7.484 7.093 0.391 1
1 1041 . 14 1 1 A 93 93 SER CA C 93 54.547 54.554 -0.007 1
1 1042 . 14 1 1 A 93 93 SER HA H 93 4.065 4.391 -0.326 1
1 1043 . 14 1 1 A 93 93 SER CB C 93 62.575 65.477 -2.902 1
1 1045 . 14 1 1 A 93 93 SER C C 93 174.608 172.297 2.311 1
1 1047 . 14 1 1 A 94 94 PRO CA C 94 62.477 62.302 0.175 1
1 1048 . 14 1 1 A 94 94 PRO HA H 94 5.491 4.640 0.851 1
1 1049 . 14 1 1 A 94 94 PRO CB C 94 34.106 32.742 1.364 1
1 1055 . 14 1 1 A 94 94 PRO C C 94 176.779 175.042 1.737 1
1 1059 . 14 1 1 A 95 95 PHE N N 95 123.133 119.385 3.748 1
1 1060 . 14 1 1 A 95 95 PHE H H 95 9.200 8.316 0.884 1
1 1061 . 14 1 1 A 95 95 PHE CA C 95 57.291 56.780 0.511 1
1 1062 . 14 1 1 A 95 95 PHE HA H 95 4.581 5.038 -0.457 1
1 1063 . 14 1 1 A 95 95 PHE CB C 95 41.165 41.934 -0.769 1
1 1075 . 14 1 1 A 95 95 PHE C C 95 175.687 175.099 0.588 1
1 1077 . 14 1 1 A 96 96 LYS N N 96 122.134 121.489 0.645 1
1 1078 . 14 1 1 A 96 96 LYS H H 96 8.790 8.928 -0.138 1
1 1079 . 14 1 1 A 96 96 LYS CA C 96 55.249 55.365 -0.116 1
1 1080 . 14 1 1 A 96 96 LYS HA H 96 5.276 5.093 0.183 1
1 1081 . 14 1 1 A 96 96 LYS CB C 96 33.836 34.846 -1.010 1
1 1089 . 14 1 1 A 96 96 LYS C C 96 176.515 176.202 0.313 1
1 1094 . 14 1 1 A 97 97 VAL N N 97 117.706 118.054 -0.348 1
1 1095 . 14 1 1 A 97 97 VAL H H 97 8.873 8.631 0.242 1
1 1096 . 14 1 1 A 97 97 VAL CA C 97 59.188 59.241 -0.053 1
1 1097 . 14 1 1 A 97 97 VAL HA H 97 4.917 4.896 0.021 1
1 1098 . 14 1 1 A 97 97 VAL CB C 97 35.185 35.903 -0.718 1
1 1108 . 14 1 1 A 97 97 VAL C C 97 173.801 173.859 -0.058 1
1 1109 . 14 1 1 A 98 98 ARG N N 98 125.203 124.191 1.012 1
1 1110 . 14 1 1 A 98 98 ARG H H 98 8.826 9.125 -0.299 1
1 1111 . 14 1 1 A 98 98 ARG CA C 98 56.337 54.873 1.464 1
1 1112 . 14 1 1 A 98 98 ARG HA H 98 4.610 4.885 -0.275 1
1 1113 . 14 1 1 A 98 98 ARG CB C 98 32.031 31.962 0.069 1
1 1119 . 14 1 1 A 98 98 ARG C C 98 174.438 175.417 -0.979 1
1 1123 . 14 1 1 A 99 99 VAL N N 99 127.382 128.205 -0.823 1
1 1124 . 14 1 1 A 99 99 VAL H H 99 8.144 8.827 -0.683 1
1 1125 . 14 1 1 A 99 99 VAL CA C 99 61.216 62.338 -1.122 1
1 1126 . 14 1 1 A 99 99 VAL HA H 99 4.115 4.320 -0.205 1
1 1127 . 14 1 1 A 99 99 VAL CB C 99 32.590 31.691 0.899 1
1 1137 . 14 1 1 A 99 99 VAL C C 99 176.994 175.120 1.874 1
1 1138 . 14 1 1 A 100 100 GLY N N 100 117.424 114.855 2.569 1
1 1139 . 14 1 1 A 100 100 GLY H H 100 8.682 8.215 0.467 1
1 1140 . 14 1 1 A 100 100 GLY CA C 100 44.650 45.962 -1.312 1
1 1141 . 14 1 1 A 100 100 GLY HA3 H 100 4.386 4.139 0.247 1
1 1142 . 14 1 1 A 100 100 GLY C C 100 173.180 172.048 1.132 1
1 1143 . 14 1 1 A 100 100 GLY HA2 H 100 3.954 4.139 -0.185 1
1 1144 . 14 1 1 A 101 101 GLU N N 101 119.495 122.186 -2.691 1
1 1145 . 14 1 1 A 101 101 GLU H H 101 8.383 8.552 -0.169 1
1 1146 . 14 1 1 A 101 101 GLU CA C 101 54.168 54.388 -0.220 1
1 1147 . 14 1 1 A 101 101 GLU HA H 101 4.661 4.627 0.034 1
1 1148 . 14 1 1 A 101 101 GLU CB C 101 29.836 31.078 -1.242 1
1 1152 . 14 1 1 A 101 101 GLU C C 101 175.458 175.054 0.404 1
1 1155 . 14 1 1 A 102 102 PRO CA C 102 63.897 63.704 0.193 1
1 1156 . 14 1 1 A 102 102 PRO HA H 102 4.361 4.311 0.050 1
1 1157 . 14 1 1 A 102 102 PRO CB C 102 31.946 31.303 0.643 1
1 1163 . 14 1 1 A 102 102 PRO C C 102 177.509 177.539 -0.030 1
1 1167 . 14 1 1 A 103 103 GLY N N 103 109.378 112.178 -2.800 1
1 1168 . 14 1 1 A 103 103 GLY H H 103 8.552 8.607 -0.055 1
1 1169 . 14 1 1 A 103 103 GLY CA C 103 45.263 44.839 0.424 1
1 1170 . 14 1 1 A 103 103 GLY HA3 H 103 3.962 3.960 0.002 1
1 1171 . 14 1 1 A 103 103 GLY C C 103 174.277 173.371 0.906 1
1 1172 . 14 1 1 A 103 103 GLY HA2 H 103 3.962 3.959 0.003 1
1 1173 . 14 1 1 A 104 104 GLN N N 104 119.735 119.816 -0.081 1
1 1174 . 14 1 1 A 104 104 GLN H H 104 8.096 8.435 -0.339 1
1 1175 . 14 1 1 A 104 104 GLN CA C 104 55.924 56.019 -0.095 1
1 1176 . 14 1 1 A 104 104 GLN HA H 104 4.339 4.294 0.045 1
1 1177 . 14 1 1 A 104 104 GLN CB C 104 29.622 29.004 0.618 1
1 1184 . 14 1 1 A 104 104 GLN C C 104 175.669 176.103 -0.434 1
1 1187 . 14 1 1 A 105 105 ALA N N 105 125.603 127.284 -1.681 1
1 1188 . 14 1 1 A 105 105 ALA H H 105 8.389 8.039 0.350 1
1 1189 . 14 1 1 A 105 105 ALA CA C 105 52.416 53.909 -1.493 1
1 1190 . 14 1 1 A 105 105 ALA HA H 105 4.385 3.980 0.405 1
1 1191 . 14 1 1 A 105 105 ALA CB C 105 19.608 18.549 1.059 1
1 1195 . 14 1 1 A 105 105 ALA C C 105 176.971 178.323 -1.352 1
1 1 . 15 1 1 A 8 8 SER CA C 8 59.066 55.963 3.103 1
1 2 . 15 1 1 A 8 8 SER HA H 8 4.444 5.163 -0.719 1
1 3 . 15 1 1 A 8 8 SER CB C 8 63.749 65.759 -2.010 1
1 5 . 15 1 1 A 8 8 SER C C 8 174.832 172.931 1.901 1
1 7 . 15 1 1 A 9 9 ASP N N 9 122.244 124.734 -2.490 1
1 8 . 15 1 1 A 9 9 ASP H H 9 8.460 8.815 -0.355 1
1 9 . 15 1 1 A 9 9 ASP CA C 9 54.943 54.632 0.311 1
1 10 . 15 1 1 A 9 9 ASP HA H 9 4.730 4.708 0.022 1
1 11 . 15 1 1 A 9 9 ASP CB C 9 41.125 41.589 -0.464 1
1 13 . 15 1 1 A 9 9 ASP C C 9 176.845 175.756 1.089 1
1 15 . 15 1 1 A 10 10 ASP N N 10 120.929 118.020 2.909 1
1 16 . 15 1 1 A 10 10 ASP H H 10 8.121 8.598 -0.477 1
1 17 . 15 1 1 A 10 10 ASP CA C 10 55.841 52.906 2.935 1
1 18 . 15 1 1 A 10 10 ASP HA H 10 4.523 5.052 -0.529 1
1 19 . 15 1 1 A 10 10 ASP CB C 10 41.834 40.645 1.189 1
1 21 . 15 1 1 A 10 10 ASP C C 10 177.047 176.569 0.478 1
1 23 . 15 1 1 A 11 11 ALA N N 11 122.815 123.165 -0.350 1
1 24 . 15 1 1 A 11 11 ALA H H 11 8.520 8.482 0.038 1
1 25 . 15 1 1 A 11 11 ALA CA C 11 54.828 54.352 0.476 1
1 26 . 15 1 1 A 11 11 ALA HA H 11 4.004 3.902 0.102 1
1 27 . 15 1 1 A 11 11 ALA CB C 11 19.454 19.156 0.298 1
1 31 . 15 1 1 A 11 11 ALA C C 11 179.280 179.123 0.157 1
1 32 . 15 1 1 A 12 12 ARG N N 12 115.782 118.369 -2.587 1
1 33 . 15 1 1 A 12 12 ARG H H 12 8.159 8.182 -0.023 1
1 34 . 15 1 1 A 12 12 ARG CA C 12 57.578 58.427 -0.849 1
1 35 . 15 1 1 A 12 12 ARG HA H 12 4.310 4.127 0.183 1
1 36 . 15 1 1 A 12 12 ARG CB C 12 29.817 30.016 -0.199 1
1 42 . 15 1 1 A 12 12 ARG C C 12 176.412 177.667 -1.255 1
1 46 . 15 1 1 A 13 13 ARG N N 13 117.438 117.098 0.340 1
1 47 . 15 1 1 A 13 13 ARG H H 13 7.858 7.419 0.439 1
1 48 . 15 1 1 A 13 13 ARG CA C 13 56.855 55.596 1.259 1
1 49 . 15 1 1 A 13 13 ARG HA H 13 4.183 4.386 -0.203 1
1 50 . 15 1 1 A 13 13 ARG CB C 13 30.976 29.215 1.761 1
1 56 . 15 1 1 A 13 13 ARG C C 13 176.451 174.059 2.392 1
1 60 . 15 1 1 A 14 14 LEU N N 14 121.077 121.664 -0.587 1
1 61 . 15 1 1 A 14 14 LEU H H 14 6.925 7.489 -0.564 1
1 62 . 15 1 1 A 14 14 LEU CA C 14 56.582 53.334 3.248 1
1 63 . 15 1 1 A 14 14 LEU HA H 14 4.394 5.014 -0.620 1
1 64 . 15 1 1 A 14 14 LEU CB C 14 42.968 45.659 -2.691 1
1 76 . 15 1 1 A 14 14 LEU C C 14 177.296 175.255 2.041 1
1 78 . 15 1 1 A 15 15 THR N N 15 115.028 120.751 -5.723 1
1 79 . 15 1 1 A 15 15 THR H H 15 8.716 8.580 0.136 1
1 80 . 15 1 1 A 15 15 THR CA C 15 61.169 61.707 -0.538 1
1 81 . 15 1 1 A 15 15 THR HA H 15 4.667 4.921 -0.254 1
1 82 . 15 1 1 A 15 15 THR CB C 15 71.348 70.646 0.702 1
1 88 . 15 1 1 A 15 15 THR C C 15 173.454 173.741 -0.287 1
1 89 . 15 1 1 A 16 16 VAL N N 16 126.736 126.604 0.132 1
1 90 . 15 1 1 A 16 16 VAL H H 16 8.727 8.826 -0.099 1
1 91 . 15 1 1 A 16 16 VAL CA C 16 62.600 61.247 1.353 1
1 92 . 15 1 1 A 16 16 VAL HA H 16 4.539 4.488 0.051 1
1 93 . 15 1 1 A 16 16 VAL CB C 16 32.521 32.670 -0.149 1
1 103 . 15 1 1 A 16 16 VAL C C 16 175.348 175.048 0.300 1
1 104 . 15 1 1 A 17 17 MET N N 17 126.444 124.847 1.597 1
1 105 . 15 1 1 A 17 17 MET H H 17 9.255 9.042 0.213 1
1 106 . 15 1 1 A 17 17 MET CA C 17 54.872 54.024 0.848 1
1 107 . 15 1 1 A 17 17 MET HA H 17 4.806 4.917 -0.111 1
1 108 . 15 1 1 A 17 17 MET CB C 17 35.443 35.782 -0.339 1
1 116 . 15 1 1 A 17 17 MET C C 17 174.681 175.385 -0.704 1
1 119 . 15 1 1 A 18 18 SER N N 18 112.443 112.507 -0.064 1
1 120 . 15 1 1 A 18 18 SER H H 18 8.568 8.502 0.066 1
1 121 . 15 1 1 A 18 18 SER CA C 18 58.711 58.838 -0.127 1
1 122 . 15 1 1 A 18 18 SER HA H 18 4.018 3.996 0.022 1
1 123 . 15 1 1 A 18 18 SER CB C 18 62.009 61.833 0.176 1
1 125 . 15 1 1 A 18 18 SER C C 18 173.373 172.836 0.537 1
1 127 . 15 1 1 A 19 19 LEU N N 19 122.011 120.711 1.300 1
1 128 . 15 1 1 A 19 19 LEU H H 19 7.996 7.661 0.335 1
1 129 . 15 1 1 A 19 19 LEU CA C 19 54.978 53.666 1.312 1
1 130 . 15 1 1 A 19 19 LEU HA H 19 4.283 4.904 -0.621 1
1 131 . 15 1 1 A 19 19 LEU CB C 19 41.955 44.822 -2.867 1
1 143 . 15 1 1 A 19 19 LEU C C 19 176.135 174.640 1.495 1
1 145 . 15 1 1 A 20 20 GLN N N 20 127.739 126.538 1.201 1
1 146 . 15 1 1 A 20 20 GLN H H 20 8.669 8.666 0.003 1
1 147 . 15 1 1 A 20 20 GLN CA C 20 55.617 54.654 0.963 1
1 148 . 15 1 1 A 20 20 GLN HA H 20 4.400 4.999 -0.599 1
1 149 . 15 1 1 A 20 20 GLN CB C 20 29.298 31.299 -2.001 1
1 156 . 15 1 1 A 20 20 GLN C C 20 175.033 174.955 0.078 1
1 159 . 15 1 1 A 21 21 GLU N N 21 121.152 122.970 -1.818 1
1 160 . 15 1 1 A 21 21 GLU H H 21 8.546 8.975 -0.429 1
1 161 . 15 1 1 A 21 21 GLU CA C 21 57.598 57.729 -0.131 1
1 162 . 15 1 1 A 21 21 GLU HA H 21 4.310 4.511 -0.201 1
1 163 . 15 1 1 A 21 21 GLU CB C 21 30.764 30.673 0.091 1
1 167 . 15 1 1 A 21 21 GLU C C 21 176.581 177.624 -1.043 1
1 170 . 15 1 1 A 22 22 SER N N 22 113.328 109.836 3.492 1
1 171 . 15 1 1 A 22 22 SER H H 22 8.018 7.955 0.063 1
1 172 . 15 1 1 A 22 22 SER CA C 22 57.682 56.776 0.906 1
1 173 . 15 1 1 A 22 22 SER HA H 22 4.997 4.831 0.166 1
1 174 . 15 1 1 A 22 22 SER CB C 22 64.489 63.243 1.246 1
1 176 . 15 1 1 A 22 22 SER C C 22 174.062 175.449 -1.387 1
1 178 . 15 1 1 A 23 23 GLY N N 23 109.317 109.914 -0.597 1
1 179 . 15 1 1 A 23 23 GLY H H 23 8.828 7.903 0.925 1
1 180 . 15 1 1 A 23 23 GLY CA C 23 45.609 45.342 0.267 1
1 181 . 15 1 1 A 23 23 GLY HA3 H 23 4.116 4.059 0.057 1
1 182 . 15 1 1 A 23 23 GLY C C 23 174.629 174.202 0.427 1
1 183 . 15 1 1 A 23 23 GLY HA2 H 23 3.832 4.057 -0.225 1
1 184 . 15 1 1 A 24 24 LEU N N 24 120.545 120.596 -0.051 1
1 185 . 15 1 1 A 24 24 LEU H H 24 7.559 7.206 0.353 1
1 186 . 15 1 1 A 24 24 LEU CA C 24 55.569 55.451 0.118 1
1 187 . 15 1 1 A 24 24 LEU HA H 24 4.310 4.279 0.031 1
1 188 . 15 1 1 A 24 24 LEU CB C 24 42.978 42.278 0.700 1
1 200 . 15 1 1 A 24 24 LEU C C 24 176.704 176.151 0.553 1
1 202 . 15 1 1 A 25 25 LYS N N 25 122.188 120.161 2.027 1
1 203 . 15 1 1 A 25 25 LYS H H 25 8.828 8.582 0.246 1
1 204 . 15 1 1 A 25 25 LYS CA C 25 54.686 54.625 0.061 1
1 205 . 15 1 1 A 25 25 LYS HA H 25 4.676 5.046 -0.370 1
1 206 . 15 1 1 A 25 25 LYS CB C 25 35.736 35.921 -0.185 1
1 214 . 15 1 1 A 25 25 LYS C C 25 175.885 176.595 -0.710 1
1 219 . 15 1 1 A 26 26 VAL N N 26 121.689 123.101 -1.412 1
1 220 . 15 1 1 A 26 26 VAL H H 26 8.503 8.630 -0.127 1
1 221 . 15 1 1 A 26 26 VAL CA C 26 64.069 61.987 2.082 1
1 222 . 15 1 1 A 26 26 VAL HA H 26 3.218 4.218 -1.000 1
1 223 . 15 1 1 A 26 26 VAL CB C 26 31.636 32.963 -1.327 1
1 233 . 15 1 1 A 26 26 VAL C C 26 175.837 175.997 -0.160 1
1 234 . 15 1 1 A 27 27 ASN N N 27 116.772 122.803 -6.031 1
1 235 . 15 1 1 A 27 27 ASN H H 27 8.682 9.113 -0.431 1
1 236 . 15 1 1 A 27 27 ASN CA C 27 55.183 53.977 1.206 1
1 237 . 15 1 1 A 27 27 ASN HA H 27 4.138 4.396 -0.258 1
1 238 . 15 1 1 A 27 27 ASN CB C 27 37.242 36.195 1.047 1
1 243 . 15 1 1 A 27 27 ASN C C 27 173.308 173.991 -0.683 1
1 245 . 15 1 1 A 28 28 GLN N N 28 118.793 118.713 0.080 1
1 246 . 15 1 1 A 28 28 GLN H H 28 7.544 7.635 -0.091 1
1 247 . 15 1 1 A 28 28 GLN CA C 28 52.212 52.437 -0.225 1
1 248 . 15 1 1 A 28 28 GLN HA H 28 4.893 4.689 0.204 1
1 249 . 15 1 1 A 28 28 GLN CB C 28 30.060 31.090 -1.030 1
1 256 . 15 1 1 A 28 28 GLN C C 28 173.078 173.383 -0.305 1
1 259 . 15 1 1 A 29 29 PRO CA C 29 63.563 62.878 0.685 1
1 260 . 15 1 1 A 29 29 PRO HA H 29 4.294 4.568 -0.274 1
1 261 . 15 1 1 A 29 29 PRO CB C 29 31.874 31.646 0.228 1
1 267 . 15 1 1 A 29 29 PRO C C 29 175.250 175.701 -0.451 1
1 271 . 15 1 1 A 30 30 ALA N N 30 128.803 126.667 2.136 1
1 272 . 15 1 1 A 30 30 ALA H H 30 8.887 8.013 0.874 1
1 273 . 15 1 1 A 30 30 ALA CA C 30 50.558 50.723 -0.165 1
1 274 . 15 1 1 A 30 30 ALA HA H 30 4.539 4.865 -0.326 1
1 275 . 15 1 1 A 30 30 ALA CB C 30 21.602 20.735 0.867 1
1 279 . 15 1 1 A 30 30 ALA C C 30 175.510 175.872 -0.362 1
1 280 . 15 1 1 A 31 31 SER N N 31 112.512 116.789 -4.277 1
1 281 . 15 1 1 A 31 31 SER H H 31 8.214 8.928 -0.714 1
1 282 . 15 1 1 A 31 31 SER CA C 31 56.701 55.735 0.966 1
1 283 . 15 1 1 A 31 31 SER HA H 31 5.832 5.814 0.018 1
1 284 . 15 1 1 A 31 31 SER CB C 31 66.721 66.161 0.560 1
1 286 . 15 1 1 A 31 31 SER C C 31 173.379 174.084 -0.705 1
1 288 . 15 1 1 A 32 32 PHE N N 32 119.232 117.734 1.498 1
1 289 . 15 1 1 A 32 32 PHE H H 32 8.798 8.548 0.250 1
1 290 . 15 1 1 A 32 32 PHE CA C 32 56.218 55.578 0.640 1
1 291 . 15 1 1 A 32 32 PHE HA H 32 4.925 5.566 -0.641 1
1 292 . 15 1 1 A 32 32 PHE CB C 32 39.752 41.952 -2.200 1
1 304 . 15 1 1 A 32 32 PHE C C 32 172.709 172.719 -0.010 1
1 306 . 15 1 1 A 33 33 ALA N N 33 122.788 122.012 0.776 1
1 307 . 15 1 1 A 33 33 ALA H H 33 8.827 8.696 0.131 1
1 308 . 15 1 1 A 33 33 ALA CA C 33 50.616 49.867 0.749 1
1 309 . 15 1 1 A 33 33 ALA HA H 33 5.654 5.565 0.089 1
1 310 . 15 1 1 A 33 33 ALA CB C 33 22.616 22.485 0.131 1
1 314 . 15 1 1 A 33 33 ALA C C 33 175.770 175.659 0.111 1
1 315 . 15 1 1 A 34 34 ILE N N 34 118.542 122.248 -3.706 1
1 316 . 15 1 1 A 34 34 ILE H H 34 9.194 8.958 0.236 1
1 317 . 15 1 1 A 34 34 ILE CA C 34 59.486 60.370 -0.884 1
1 318 . 15 1 1 A 34 34 ILE HA H 34 4.978 4.788 0.190 1
1 319 . 15 1 1 A 34 34 ILE CB C 34 42.577 39.655 2.922 1
1 331 . 15 1 1 A 34 34 ILE C C 34 174.924 174.599 0.325 1
1 333 . 15 1 1 A 35 35 ARG N N 35 126.774 128.501 -1.727 1
1 334 . 15 1 1 A 35 35 ARG H H 35 9.038 9.283 -0.245 1
1 335 . 15 1 1 A 35 35 ARG CA C 35 54.096 55.745 -1.649 1
1 336 . 15 1 1 A 35 35 ARG HA H 35 5.283 4.814 0.469 1
1 337 . 15 1 1 A 35 35 ARG CB C 35 32.039 31.663 0.376 1
1 343 . 15 1 1 A 35 35 ARG C C 35 175.959 175.018 0.941 1
1 347 . 15 1 1 A 36 36 LEU N N 36 123.887 126.863 -2.976 1
1 348 . 15 1 1 A 36 36 LEU H H 36 8.648 8.733 -0.085 1
1 349 . 15 1 1 A 36 36 LEU CA C 36 56.318 53.483 2.835 1
1 350 . 15 1 1 A 36 36 LEU HA H 36 4.037 4.867 -0.830 1
1 351 . 15 1 1 A 36 36 LEU CB C 36 41.028 43.492 -2.464 1
1 363 . 15 1 1 A 36 36 LEU C C 36 177.292 176.511 0.781 1
1 365 . 15 1 1 A 37 37 ASN N N 37 115.087 122.443 -7.356 1
1 366 . 15 1 1 A 37 37 ASN H H 37 8.594 8.572 0.022 1
1 367 . 15 1 1 A 37 37 ASN CA C 37 54.182 53.146 1.036 1
1 368 . 15 1 1 A 37 37 ASN HA H 37 4.407 4.803 -0.396 1
1 369 . 15 1 1 A 37 37 ASN CB C 37 37.687 38.829 -1.142 1
1 374 . 15 1 1 A 37 37 ASN C C 37 176.277 175.412 0.865 1
1 376 . 15 1 1 A 38 38 GLY N N 38 106.329 107.657 -1.328 1
1 377 . 15 1 1 A 38 38 GLY H H 38 9.506 8.126 1.380 1
1 378 . 15 1 1 A 38 38 GLY CA C 38 45.290 45.387 -0.097 1
1 379 . 15 1 1 A 38 38 GLY HA3 H 38 4.156 4.045 0.111 1
1 380 . 15 1 1 A 38 38 GLY C C 38 174.483 173.946 0.537 1
1 381 . 15 1 1 A 38 38 GLY HA2 H 38 3.617 4.032 -0.415 1
1 382 . 15 1 1 A 39 39 ALA N N 39 124.015 122.828 1.187 1
1 383 . 15 1 1 A 39 39 ALA H H 39 7.483 7.571 -0.088 1
1 384 . 15 1 1 A 39 39 ALA CA C 39 52.396 51.012 1.384 1
1 385 . 15 1 1 A 39 39 ALA HA H 39 4.280 5.066 -0.786 1
1 386 . 15 1 1 A 39 39 ALA CB C 39 20.424 21.796 -1.372 1
1 390 . 15 1 1 A 39 39 ALA C C 39 176.275 175.981 0.294 1
1 391 . 15 1 1 A 40 40 LYS N N 40 119.513 115.855 3.658 1
1 392 . 15 1 1 A 40 40 LYS H H 40 8.685 8.616 0.069 1
1 393 . 15 1 1 A 40 40 LYS CA C 40 54.696 55.551 -0.855 1
1 394 . 15 1 1 A 40 40 LYS HA H 40 4.811 5.302 -0.491 1
1 395 . 15 1 1 A 40 40 LYS CB C 40 34.324 36.065 -1.741 1
1 403 . 15 1 1 A 40 40 LYS C C 40 176.004 174.811 1.193 1
1 408 . 15 1 1 A 41 41 GLY N N 41 111.941 107.054 4.887 1
1 409 . 15 1 1 A 41 41 GLY H H 41 8.398 8.388 0.010 1
1 410 . 15 1 1 A 41 41 GLY CA C 41 45.887 45.616 0.271 1
1 411 . 15 1 1 A 41 41 GLY HA3 H 41 3.722 4.128 -0.406 1
1 412 . 15 1 1 A 41 41 GLY C C 41 171.021 171.327 -0.306 1
1 413 . 15 1 1 A 41 41 GLY HA2 H 41 3.722 3.944 -0.222 1
1 414 . 15 1 1 A 42 42 LYS N N 42 119.600 122.189 -2.589 1
1 415 . 15 1 1 A 42 42 LYS H H 42 7.293 8.102 -0.809 1
1 416 . 15 1 1 A 42 42 LYS CA C 42 54.522 54.962 -0.440 1
1 417 . 15 1 1 A 42 42 LYS HA H 42 4.467 4.286 0.181 1
1 418 . 15 1 1 A 42 42 LYS CB C 42 34.979 32.901 2.078 1
1 426 . 15 1 1 A 42 42 LYS C C 42 175.675 174.700 0.975 1
1 431 . 15 1 1 A 43 43 ILE N N 43 127.421 127.305 0.116 1
1 432 . 15 1 1 A 43 43 ILE H H 43 8.706 8.490 0.216 1
1 433 . 15 1 1 A 43 43 ILE CA C 43 60.336 60.521 -0.185 1
1 434 . 15 1 1 A 43 43 ILE HA H 43 4.695 4.260 0.435 1
1 435 . 15 1 1 A 43 43 ILE CB C 43 39.322 37.730 1.592 1
1 447 . 15 1 1 A 43 43 ILE C C 43 174.542 174.730 -0.188 1
1 449 . 15 1 1 A 44 44 ASP N N 44 127.995 126.628 1.367 1
1 450 . 15 1 1 A 44 44 ASP H H 44 8.861 8.606 0.255 1
1 451 . 15 1 1 A 44 44 ASP CA C 44 53.245 52.937 0.308 1
1 452 . 15 1 1 A 44 44 ASP HA H 44 4.817 5.327 -0.510 1
1 453 . 15 1 1 A 44 44 ASP CB C 44 44.577 43.703 0.874 1
1 455 . 15 1 1 A 44 44 ASP C C 44 173.768 174.368 -0.600 1
1 457 . 15 1 1 A 45 45 ALA N N 45 127.601 127.633 -0.032 1
1 458 . 15 1 1 A 45 45 ALA H H 45 8.819 9.007 -0.188 1
1 459 . 15 1 1 A 45 45 ALA CA C 45 50.180 50.568 -0.388 1
1 460 . 15 1 1 A 45 45 ALA HA H 45 5.859 5.098 0.761 1
1 461 . 15 1 1 A 45 45 ALA CB C 45 21.379 20.064 1.315 1
1 465 . 15 1 1 A 45 45 ALA C C 45 175.393 176.183 -0.790 1
1 466 . 15 1 1 A 46 46 LYS N N 46 122.427 123.682 -1.255 1
1 467 . 15 1 1 A 46 46 LYS H H 46 8.723 8.760 -0.037 1
1 468 . 15 1 1 A 46 46 LYS CA C 46 55.090 54.564 0.526 1
1 469 . 15 1 1 A 46 46 LYS HA H 46 5.057 4.933 0.124 1
1 470 . 15 1 1 A 46 46 LYS CB C 46 37.534 35.693 1.841 1
1 478 . 15 1 1 A 46 46 LYS C C 46 173.473 174.991 -1.518 1
1 483 . 15 1 1 A 47 47 VAL N N 47 120.177 121.103 -0.926 1
1 484 . 15 1 1 A 47 47 VAL H H 47 8.989 9.057 -0.068 1
1 485 . 15 1 1 A 47 47 VAL CA C 47 59.152 59.704 -0.552 1
1 486 . 15 1 1 A 47 47 VAL HA H 47 4.875 5.109 -0.234 1
1 487 . 15 1 1 A 47 47 VAL CB C 47 34.502 34.961 -0.459 1
1 497 . 15 1 1 A 47 47 VAL C C 47 173.786 173.992 -0.206 1
1 498 . 15 1 1 A 48 48 HIS N N 48 127.949 125.596 2.353 1
1 499 . 15 1 1 A 48 48 HIS H H 48 9.661 9.378 0.283 1
1 500 . 15 1 1 A 48 48 HIS CA C 48 53.917 53.699 0.218 1
1 501 . 15 1 1 A 48 48 HIS HA H 48 5.238 5.326 -0.088 1
1 502 . 15 1 1 A 48 48 HIS CB C 48 30.549 33.492 -2.943 1
1 508 . 15 1 1 A 48 48 HIS C C 48 175.556 173.951 1.605 1
1 510 . 15 1 1 A 49 49 SER N N 49 121.639 115.318 6.321 1
1 511 . 15 1 1 A 49 49 SER H H 49 9.114 8.378 0.736 1
1 512 . 15 1 1 A 49 49 SER CA C 49 56.693 55.078 1.615 1
1 513 . 15 1 1 A 49 49 SER HA H 49 4.391 4.960 -0.569 1
1 514 . 15 1 1 A 49 49 SER CB C 49 63.160 64.410 -1.250 1
1 516 . 15 1 1 A 49 49 SER C C 49 174.390 174.105 0.285 1
1 518 . 15 1 1 A 50 50 PRO CA C 50 65.732 64.139 1.593 1
1 519 . 15 1 1 A 50 50 PRO HA H 50 4.247 4.479 -0.232 1
1 520 . 15 1 1 A 50 50 PRO CB C 50 31.516 31.657 -0.141 1
1 526 . 15 1 1 A 50 50 PRO C C 50 177.969 177.341 0.628 1
1 530 . 15 1 1 A 51 51 SER N N 51 110.808 112.041 -1.233 1
1 531 . 15 1 1 A 51 51 SER H H 51 8.539 7.957 0.582 1
1 532 . 15 1 1 A 51 51 SER CA C 51 59.311 59.114 0.197 1
1 533 . 15 1 1 A 51 51 SER HA H 51 4.331 4.462 -0.131 1
1 534 . 15 1 1 A 51 51 SER CB C 51 62.767 63.695 -0.928 1
1 536 . 15 1 1 A 51 51 SER C C 51 175.339 174.495 0.844 1
1 538 . 15 1 1 A 52 52 GLY N N 52 110.692 108.587 2.105 1
1 539 . 15 1 1 A 52 52 GLY H H 52 8.181 7.988 0.193 1
1 540 . 15 1 1 A 52 52 GLY CA C 52 44.862 45.349 -0.487 1
1 541 . 15 1 1 A 52 52 GLY HA3 H 52 4.444 4.038 0.406 1
1 542 . 15 1 1 A 52 52 GLY C C 52 174.389 173.800 0.589 1
1 543 . 15 1 1 A 52 52 GLY HA2 H 52 3.634 4.026 -0.392 1
1 544 . 15 1 1 A 53 53 ALA N N 53 124.417 122.226 2.191 1
1 545 . 15 1 1 A 53 53 ALA H H 53 7.419 7.420 -0.001 1
1 546 . 15 1 1 A 53 53 ALA CA C 53 52.538 50.337 2.201 1
1 547 . 15 1 1 A 53 53 ALA HA H 53 4.373 4.771 -0.398 1
1 548 . 15 1 1 A 53 53 ALA CB C 53 19.207 22.403 -3.196 1
1 552 . 15 1 1 A 53 53 ALA C C 53 176.519 175.819 0.700 1
1 553 . 15 1 1 A 54 54 VAL N N 54 121.228 120.705 0.523 1
1 554 . 15 1 1 A 54 54 VAL H H 54 8.429 8.735 -0.306 1
1 555 . 15 1 1 A 54 54 VAL CA C 54 60.672 61.213 -0.541 1
1 556 . 15 1 1 A 54 54 VAL HA H 54 4.980 4.458 0.522 1
1 557 . 15 1 1 A 54 54 VAL CB C 54 33.933 33.792 0.141 1
1 567 . 15 1 1 A 54 54 VAL C C 54 175.443 174.752 0.691 1
1 568 . 15 1 1 A 55 55 GLU N N 55 126.290 126.305 -0.015 1
1 569 . 15 1 1 A 55 55 GLU H H 55 8.640 8.939 -0.299 1
1 570 . 15 1 1 A 55 55 GLU CA C 55 54.306 54.458 -0.152 1
1 571 . 15 1 1 A 55 55 GLU HA H 55 4.754 4.905 -0.151 1
1 572 . 15 1 1 A 55 55 GLU CB C 55 33.612 32.934 0.678 1
1 576 . 15 1 1 A 55 55 GLU C C 55 175.073 174.649 0.424 1
1 579 . 15 1 1 A 56 56 GLU N N 56 123.200 122.889 0.311 1
1 580 . 15 1 1 A 56 56 GLU H H 56 8.878 8.730 0.148 1
1 581 . 15 1 1 A 56 56 GLU CA C 56 56.966 55.360 1.606 1
1 582 . 15 1 1 A 56 56 GLU HA H 56 4.479 4.961 -0.482 1
1 583 . 15 1 1 A 56 56 GLU CB C 56 30.258 31.591 -1.333 1
1 587 . 15 1 1 A 56 56 GLU C C 56 177.592 175.296 2.296 1
1 590 . 15 1 1 A 57 57 CYS N N 57 121.919 126.129 -4.210 1
1 591 . 15 1 1 A 57 57 CYS H H 57 8.496 8.318 0.178 1
1 592 . 15 1 1 A 57 57 CYS CA C 57 59.030 57.908 1.122 1
1 593 . 15 1 1 A 57 57 CYS HA H 57 4.690 5.053 -0.363 1
1 594 . 15 1 1 A 57 57 CYS CB C 57 29.620 28.286 1.334 1
1 596 . 15 1 1 A 57 57 CYS C C 57 173.871 174.322 -0.451 1
1 598 . 15 1 1 A 58 58 HIS N N 58 123.415 124.240 -0.825 1
1 599 . 15 1 1 A 58 58 HIS H H 58 8.961 8.581 0.380 1
1 600 . 15 1 1 A 58 58 HIS CA C 58 56.751 57.938 -1.187 1
1 601 . 15 1 1 A 58 58 HIS HA H 58 4.725 4.510 0.215 1
1 602 . 15 1 1 A 58 58 HIS CB C 58 31.813 30.569 1.244 1
1 608 . 15 1 1 A 58 58 HIS C C 58 174.903 174.116 0.787 1
1 610 . 15 1 1 A 59 59 VAL N N 59 128.900 128.145 0.755 1
1 611 . 15 1 1 A 59 59 VAL H H 59 8.521 8.564 -0.043 1
1 612 . 15 1 1 A 59 59 VAL CA C 59 61.131 60.789 0.342 1
1 613 . 15 1 1 A 59 59 VAL HA H 59 5.142 4.556 0.586 1
1 614 . 15 1 1 A 59 59 VAL CB C 59 33.825 34.587 -0.762 1
1 624 . 15 1 1 A 59 59 VAL C C 59 175.539 174.107 1.432 1
1 625 . 15 1 1 A 60 60 SER N N 60 120.428 121.777 -1.349 1
1 626 . 15 1 1 A 60 60 SER H H 60 8.995 8.462 0.533 1
1 627 . 15 1 1 A 60 60 SER CA C 60 56.782 56.398 0.384 1
1 628 . 15 1 1 A 60 60 SER HA H 60 4.823 5.283 -0.460 1
1 629 . 15 1 1 A 60 60 SER CB C 60 65.880 65.035 0.845 1
1 631 . 15 1 1 A 60 60 SER C C 60 172.353 172.244 0.109 1
1 633 . 15 1 1 A 61 61 GLU N N 61 125.163 127.239 -2.076 1
1 634 . 15 1 1 A 61 61 GLU H H 61 8.894 8.671 0.223 1
1 635 . 15 1 1 A 61 61 GLU CA C 61 57.081 55.769 1.312 1
1 636 . 15 1 1 A 61 61 GLU HA H 61 3.545 3.991 -0.446 1
1 637 . 15 1 1 A 61 61 GLU CB C 61 30.675 29.200 1.475 1
1 641 . 15 1 1 A 61 61 GLU C C 61 176.353 175.189 1.164 1
1 644 . 15 1 1 A 62 62 LEU N N 62 129.563 128.691 0.872 1
1 645 . 15 1 1 A 62 62 LEU H H 62 8.800 8.817 -0.017 1
1 646 . 15 1 1 A 62 62 LEU CA C 62 56.462 55.888 0.574 1
1 647 . 15 1 1 A 62 62 LEU HA H 62 4.341 4.326 0.015 1
1 648 . 15 1 1 A 62 62 LEU CB C 62 44.020 42.761 1.259 1
1 660 . 15 1 1 A 62 62 LEU C C 62 176.662 176.687 -0.025 1
1 662 . 15 1 1 A 63 63 GLU N N 63 117.143 118.037 -0.894 1
1 663 . 15 1 1 A 63 63 GLU H H 63 8.292 7.297 0.995 1
1 664 . 15 1 1 A 63 63 GLU CA C 63 53.777 53.169 0.608 1
1 665 . 15 1 1 A 63 63 GLU HA H 63 4.655 4.677 -0.022 1
1 666 . 15 1 1 A 63 63 GLU CB C 63 29.768 31.061 -1.293 1
1 670 . 15 1 1 A 63 63 GLU C C 63 172.058 176.164 -4.106 1
1 673 . 15 1 1 A 64 64 PRO CA C 64 65.767 64.573 1.194 1
1 674 . 15 1 1 A 64 64 PRO HA H 64 4.227 4.461 -0.234 1
1 675 . 15 1 1 A 64 64 PRO CB C 64 31.005 32.019 -1.014 1
1 681 . 15 1 1 A 64 64 PRO C C 64 177.068 176.602 0.466 1
1 685 . 15 1 1 A 65 65 ASP N N 65 118.425 116.687 1.738 1
1 686 . 15 1 1 A 65 65 ASP H H 65 8.965 8.362 0.603 1
1 687 . 15 1 1 A 65 65 ASP CA C 65 55.827 54.132 1.695 1
1 688 . 15 1 1 A 65 65 ASP HA H 65 4.589 4.911 -0.322 1
1 689 . 15 1 1 A 65 65 ASP CB C 65 43.713 42.514 1.199 1
1 691 . 15 1 1 A 65 65 ASP C C 65 174.921 175.114 -0.193 1
1 693 . 15 1 1 A 66 66 LYS N N 66 120.940 120.563 0.377 1
1 694 . 15 1 1 A 66 66 LYS H H 66 8.476 7.498 0.978 1
1 695 . 15 1 1 A 66 66 LYS CA C 66 55.938 55.515 0.423 1
1 696 . 15 1 1 A 66 66 LYS HA H 66 5.476 5.201 0.275 1
1 697 . 15 1 1 A 66 66 LYS CB C 66 36.812 36.326 0.486 1
1 705 . 15 1 1 A 66 66 LYS C C 66 173.912 174.204 -0.292 1
1 710 . 15 1 1 A 67 67 TYR N N 67 126.047 122.974 3.073 1
1 711 . 15 1 1 A 67 67 TYR H H 67 9.291 8.729 0.562 1
1 712 . 15 1 1 A 67 67 TYR CA C 67 56.589 56.311 0.278 1
1 713 . 15 1 1 A 67 67 TYR HA H 67 5.136 5.288 -0.152 1
1 714 . 15 1 1 A 67 67 TYR CB C 67 41.933 43.943 -2.010 1
1 724 . 15 1 1 A 67 67 TYR C C 67 174.424 174.298 0.126 1
1 726 . 15 1 1 A 68 68 ALA N N 68 123.234 122.743 0.491 1
1 727 . 15 1 1 A 68 68 ALA H H 68 9.393 8.812 0.581 1
1 728 . 15 1 1 A 68 68 ALA CA C 68 50.620 50.773 -0.153 1
1 729 . 15 1 1 A 68 68 ALA HA H 68 5.002 5.213 -0.211 1
1 730 . 15 1 1 A 68 68 ALA CB C 68 21.211 23.081 -1.870 1
1 734 . 15 1 1 A 68 68 ALA C C 68 176.258 175.336 0.922 1
1 735 . 15 1 1 A 69 69 VAL N N 69 121.910 120.139 1.771 1
1 736 . 15 1 1 A 69 69 VAL H H 69 8.412 8.453 -0.041 1
1 737 . 15 1 1 A 69 69 VAL CA C 69 61.147 60.710 0.437 1
1 738 . 15 1 1 A 69 69 VAL HA H 69 4.587 4.840 -0.253 1
1 739 . 15 1 1 A 69 69 VAL CB C 69 32.409 34.671 -2.262 1
1 749 . 15 1 1 A 69 69 VAL C C 69 174.300 173.741 0.559 1
1 750 . 15 1 1 A 70 70 ARG N N 70 125.218 128.763 -3.545 1
1 751 . 15 1 1 A 70 70 ARG H H 70 8.926 9.088 -0.162 1
1 752 . 15 1 1 A 70 70 ARG CA C 70 54.404 54.353 0.051 1
1 753 . 15 1 1 A 70 70 ARG HA H 70 5.665 5.266 0.399 1
1 754 . 15 1 1 A 70 70 ARG CB C 70 34.966 33.128 1.838 1
1 760 . 15 1 1 A 70 70 ARG C C 70 175.124 174.828 0.296 1
1 764 . 15 1 1 A 71 71 PHE N N 71 120.657 120.489 0.168 1
1 765 . 15 1 1 A 71 71 PHE H H 71 8.780 8.457 0.323 1
1 766 . 15 1 1 A 71 71 PHE CA C 71 55.969 56.491 -0.522 1
1 767 . 15 1 1 A 71 71 PHE HA H 71 5.082 5.084 -0.002 1
1 768 . 15 1 1 A 71 71 PHE CB C 71 41.335 41.607 -0.272 1
1 780 . 15 1 1 A 71 71 PHE C C 71 171.920 172.114 -0.194 1
1 782 . 15 1 1 A 72 72 ILE N N 72 120.347 122.335 -1.988 1
1 783 . 15 1 1 A 72 72 ILE H H 72 8.714 8.923 -0.209 1
1 784 . 15 1 1 A 72 72 ILE CA C 72 57.669 58.099 -0.430 1
1 785 . 15 1 1 A 72 72 ILE HA H 72 4.469 4.472 -0.003 1
1 786 . 15 1 1 A 72 72 ILE CB C 72 39.824 38.480 1.344 1
1 798 . 15 1 1 A 72 72 ILE C C 72 173.612 175.359 -1.747 1
1 800 . 15 1 1 A 73 73 PRO CA C 73 62.050 62.358 -0.308 1
1 801 . 15 1 1 A 73 73 PRO HA H 73 4.493 4.950 -0.457 1
1 802 . 15 1 1 A 73 73 PRO CB C 73 33.680 29.092 4.588 1
1 808 . 15 1 1 A 73 73 PRO C C 73 176.990 175.498 1.492 1
1 812 . 15 1 1 A 74 74 HIS N N 74 119.655 117.627 2.028 1
1 813 . 15 1 1 A 74 74 HIS H H 74 10.240 8.803 1.437 1
1 814 . 15 1 1 A 74 74 HIS CA C 74 54.660 53.792 0.868 1
1 815 . 15 1 1 A 74 74 HIS HA H 74 5.035 5.676 -0.641 1
1 816 . 15 1 1 A 74 74 HIS CB C 74 30.530 31.654 -1.124 1
1 822 . 15 1 1 A 74 74 HIS C C 74 173.624 174.115 -0.491 1
1 824 . 15 1 1 A 75 75 GLU N N 75 118.178 123.152 -4.974 1
1 825 . 15 1 1 A 75 75 GLU H H 75 7.772 8.731 -0.959 1
1 826 . 15 1 1 A 75 75 GLU CA C 75 54.166 54.261 -0.095 1
1 827 . 15 1 1 A 75 75 GLU HA H 75 4.654 4.716 -0.062 1
1 828 . 15 1 1 A 75 75 GLU CB C 75 33.422 33.694 -0.272 1
1 832 . 15 1 1 A 75 75 GLU C C 75 173.599 175.240 -1.641 1
1 835 . 15 1 1 A 76 76 ASN N N 76 116.760 116.770 -0.010 1
1 836 . 15 1 1 A 76 76 ASN H H 76 8.530 8.387 0.143 1
1 837 . 15 1 1 A 76 76 ASN CA C 76 53.486 51.620 1.866 1
1 838 . 15 1 1 A 76 76 ASN HA H 76 4.606 5.120 -0.514 1
1 839 . 15 1 1 A 76 76 ASN CB C 76 40.184 39.530 0.654 1
1 844 . 15 1 1 A 76 76 ASN C C 76 175.598 175.069 0.529 1
1 846 . 15 1 1 A 77 77 GLY N N 77 106.497 108.724 -2.227 1
1 847 . 15 1 1 A 77 77 GLY H H 77 9.152 7.536 1.616 1
1 848 . 15 1 1 A 77 77 GLY CA C 77 43.752 46.039 -2.287 1
1 849 . 15 1 1 A 77 77 GLY HA3 H 77 4.797 4.163 0.634 1
1 850 . 15 1 1 A 77 77 GLY C C 77 176.329 172.090 4.239 1
1 851 . 15 1 1 A 77 77 GLY HA2 H 77 3.897 4.136 -0.239 1
1 852 . 15 1 1 A 78 78 VAL N N 78 124.582 122.293 2.289 1
1 853 . 15 1 1 A 78 78 VAL H H 78 9.334 8.296 1.038 1
1 854 . 15 1 1 A 78 78 VAL CA C 78 64.642 60.803 3.839 1
1 855 . 15 1 1 A 78 78 VAL HA H 78 4.399 4.925 -0.526 1
1 856 . 15 1 1 A 78 78 VAL CB C 78 31.464 33.843 -2.379 1
1 866 . 15 1 1 A 78 78 VAL C C 78 176.269 175.462 0.807 1
1 867 . 15 1 1 A 79 79 HIS N N 79 129.160 126.102 3.058 1
1 868 . 15 1 1 A 79 79 HIS H H 79 9.854 9.156 0.698 1
1 869 . 15 1 1 A 79 79 HIS CA C 79 55.150 56.352 -1.202 1
1 870 . 15 1 1 A 79 79 HIS HA H 79 4.921 4.954 -0.033 1
1 871 . 15 1 1 A 79 79 HIS CB C 79 30.772 31.275 -0.503 1
1 877 . 15 1 1 A 79 79 HIS C C 79 174.062 175.327 -1.265 1
1 879 . 15 1 1 A 80 80 THR N N 80 116.006 116.128 -0.122 1
1 880 . 15 1 1 A 80 80 THR H H 80 8.526 8.326 0.200 1
1 881 . 15 1 1 A 80 80 THR CA C 80 60.983 61.693 -0.710 1
1 882 . 15 1 1 A 80 80 THR HA H 80 5.380 5.322 0.058 1
1 883 . 15 1 1 A 80 80 THR CB C 80 70.590 71.456 -0.866 1
1 889 . 15 1 1 A 80 80 THR C C 80 173.671 173.089 0.582 1
1 890 . 15 1 1 A 81 81 ILE N N 81 127.414 128.849 -1.435 1
1 891 . 15 1 1 A 81 81 ILE H H 81 9.745 8.820 0.925 1
1 892 . 15 1 1 A 81 81 ILE CA C 81 60.037 61.172 -1.135 1
1 893 . 15 1 1 A 81 81 ILE HA H 81 4.867 4.345 0.522 1
1 894 . 15 1 1 A 81 81 ILE CB C 81 39.883 38.067 1.816 1
1 906 . 15 1 1 A 81 81 ILE C C 81 175.279 174.675 0.604 1
1 908 . 15 1 1 A 82 82 ASP N N 82 128.375 128.567 -0.192 1
1 909 . 15 1 1 A 82 82 ASP H H 82 9.157 9.158 -0.001 1
1 910 . 15 1 1 A 82 82 ASP CA C 82 53.084 52.944 0.140 1
1 911 . 15 1 1 A 82 82 ASP HA H 82 5.060 5.190 -0.130 1
1 912 . 15 1 1 A 82 82 ASP CB C 82 42.929 41.921 1.008 1
1 914 . 15 1 1 A 82 82 ASP C C 82 175.923 174.829 1.094 1
1 916 . 15 1 1 A 83 83 VAL N N 83 125.651 125.872 -0.221 1
1 917 . 15 1 1 A 83 83 VAL H H 83 9.897 8.716 1.181 1
1 918 . 15 1 1 A 83 83 VAL CA C 83 62.407 61.792 0.615 1
1 919 . 15 1 1 A 83 83 VAL HA H 83 4.553 4.591 -0.038 1
1 920 . 15 1 1 A 83 83 VAL CB C 83 33.233 31.971 1.262 1
1 930 . 15 1 1 A 83 83 VAL C C 83 173.327 175.244 -1.917 1
1 931 . 15 1 1 A 84 84 LYS N N 84 124.405 127.331 -2.926 1
1 932 . 15 1 1 A 84 84 LYS H H 84 8.874 8.878 -0.004 1
1 933 . 15 1 1 A 84 84 LYS CA C 84 53.901 54.638 -0.737 1
1 934 . 15 1 1 A 84 84 LYS HA H 84 5.065 5.178 -0.113 1
1 935 . 15 1 1 A 84 84 LYS CB C 84 36.851 35.000 1.851 1
1 943 . 15 1 1 A 84 84 LYS C C 84 174.760 175.169 -0.409 1
1 948 . 15 1 1 A 85 85 PHE N N 85 120.871 124.007 -3.136 1
1 949 . 15 1 1 A 85 85 PHE H H 85 9.167 9.028 0.139 1
1 950 . 15 1 1 A 85 85 PHE CA C 85 56.014 57.539 -1.525 1
1 951 . 15 1 1 A 85 85 PHE HA H 85 5.157 4.802 0.355 1
1 952 . 15 1 1 A 85 85 PHE CB C 85 42.916 41.755 1.161 1
1 964 . 15 1 1 A 85 85 PHE C C 85 175.473 174.817 0.656 1
1 966 . 15 1 1 A 86 86 ASN N N 86 126.732 125.330 1.402 1
1 967 . 15 1 1 A 86 86 ASN H H 86 8.714 8.674 0.040 1
1 968 . 15 1 1 A 86 86 ASN CA C 86 53.835 53.988 -0.153 1
1 969 . 15 1 1 A 86 86 ASN HA H 86 4.216 4.293 -0.077 1
1 970 . 15 1 1 A 86 86 ASN CB C 86 36.789 37.292 -0.503 1
1 975 . 15 1 1 A 86 86 ASN C C 86 175.700 174.677 1.023 1
1 977 . 15 1 1 A 87 87 GLY N N 87 102.449 105.273 -2.824 1
1 978 . 15 1 1 A 87 87 GLY H H 87 8.986 8.617 0.369 1
1 979 . 15 1 1 A 87 87 GLY CA C 87 45.490 46.043 -0.553 1
1 980 . 15 1 1 A 87 87 GLY HA3 H 87 4.223 3.851 0.372 1
1 981 . 15 1 1 A 87 87 GLY C C 87 174.149 173.598 0.551 1
1 982 . 15 1 1 A 87 87 GLY HA2 H 87 3.555 3.827 -0.272 1
1 983 . 15 1 1 A 88 88 SER N N 88 116.260 114.707 1.553 1
1 984 . 15 1 1 A 88 88 SER H H 88 7.670 7.628 0.042 1
1 985 . 15 1 1 A 88 88 SER CA C 88 57.194 57.313 -0.119 1
1 986 . 15 1 1 A 88 88 SER HA H 88 4.935 5.039 -0.104 1
1 987 . 15 1 1 A 88 88 SER CB C 88 65.421 67.192 -1.771 1
1 989 . 15 1 1 A 88 88 SER C C 88 173.491 172.658 0.833 1
1 991 . 15 1 1 A 89 89 HIS N N 89 124.290 118.350 5.940 1
1 992 . 15 1 1 A 89 89 HIS H H 89 8.847 8.800 0.047 1
1 993 . 15 1 1 A 89 89 HIS CA C 89 59.048 54.515 4.533 1
1 994 . 15 1 1 A 89 89 HIS HA H 89 4.543 5.173 -0.630 1
1 995 . 15 1 1 A 89 89 HIS CB C 89 32.463 31.405 1.058 1
1 1001 . 15 1 1 A 89 89 HIS C C 89 177.441 175.331 2.110 1
1 1003 . 15 1 1 A 90 90 VAL N N 90 116.253 122.579 -6.326 1
1 1004 . 15 1 1 A 90 90 VAL H H 90 8.283 8.196 0.087 1
1 1005 . 15 1 1 A 90 90 VAL CA C 90 60.279 62.529 -2.250 1
1 1006 . 15 1 1 A 90 90 VAL HA H 90 4.291 4.030 0.261 1
1 1007 . 15 1 1 A 90 90 VAL CB C 90 31.601 33.320 -1.719 1
1 1017 . 15 1 1 A 90 90 VAL C C 90 176.074 175.784 0.290 1
1 1018 . 15 1 1 A 91 91 VAL N N 91 123.139 119.667 3.472 1
1 1019 . 15 1 1 A 91 91 VAL H H 91 8.910 8.433 0.477 1
1 1020 . 15 1 1 A 91 91 VAL CA C 91 66.030 63.004 3.026 1
1 1021 . 15 1 1 A 91 91 VAL HA H 91 3.632 3.990 -0.358 1
1 1022 . 15 1 1 A 91 91 VAL CB C 91 30.897 31.676 -0.779 1
1 1032 . 15 1 1 A 91 91 VAL C C 91 177.012 176.169 0.843 1
1 1033 . 15 1 1 A 92 92 GLY N N 92 116.727 114.257 2.470 1
1 1034 . 15 1 1 A 92 92 GLY H H 92 8.396 8.792 -0.396 1
1 1035 . 15 1 1 A 92 92 GLY CA C 92 44.466 46.196 -1.730 1
1 1036 . 15 1 1 A 92 92 GLY HA3 H 92 4.180 3.577 0.603 1
1 1037 . 15 1 1 A 92 92 GLY C C 92 172.077 172.847 -0.770 1
1 1038 . 15 1 1 A 92 92 GLY HA2 H 92 3.221 3.474 -0.253 1
1 1039 . 15 1 1 A 93 93 SER N N 93 112.885 114.697 -1.812 1
1 1040 . 15 1 1 A 93 93 SER H H 93 7.484 7.458 0.026 1
1 1041 . 15 1 1 A 93 93 SER CA C 93 54.547 54.645 -0.098 1
1 1042 . 15 1 1 A 93 93 SER HA H 93 4.065 4.466 -0.401 1
1 1043 . 15 1 1 A 93 93 SER CB C 93 62.575 65.554 -2.979 1
1 1045 . 15 1 1 A 93 93 SER C C 93 174.608 172.036 2.572 1
1 1047 . 15 1 1 A 94 94 PRO CA C 94 62.477 62.267 0.210 1
1 1048 . 15 1 1 A 94 94 PRO HA H 94 5.491 4.547 0.944 1
1 1049 . 15 1 1 A 94 94 PRO CB C 94 34.106 32.060 2.046 1
1 1055 . 15 1 1 A 94 94 PRO C C 94 176.779 176.035 0.744 1
1 1059 . 15 1 1 A 95 95 PHE N N 95 123.133 120.070 3.063 1
1 1060 . 15 1 1 A 95 95 PHE H H 95 9.200 8.617 0.583 1
1 1061 . 15 1 1 A 95 95 PHE CA C 95 57.291 57.608 -0.317 1
1 1062 . 15 1 1 A 95 95 PHE HA H 95 4.581 4.849 -0.268 1
1 1063 . 15 1 1 A 95 95 PHE CB C 95 41.165 40.965 0.200 1
1 1075 . 15 1 1 A 95 95 PHE C C 95 175.687 174.987 0.700 1
1 1077 . 15 1 1 A 96 96 LYS N N 96 122.134 118.064 4.070 1
1 1078 . 15 1 1 A 96 96 LYS H H 96 8.790 9.238 -0.448 1
1 1079 . 15 1 1 A 96 96 LYS CA C 96 55.249 54.668 0.581 1
1 1080 . 15 1 1 A 96 96 LYS HA H 96 5.276 5.337 -0.061 1
1 1081 . 15 1 1 A 96 96 LYS CB C 96 33.836 35.866 -2.030 1
1 1089 . 15 1 1 A 96 96 LYS C C 96 176.515 175.082 1.433 1
1 1094 . 15 1 1 A 97 97 VAL N N 97 117.706 118.567 -0.861 1
1 1095 . 15 1 1 A 97 97 VAL H H 97 8.873 8.825 0.048 1
1 1096 . 15 1 1 A 97 97 VAL CA C 97 59.188 58.938 0.250 1
1 1097 . 15 1 1 A 97 97 VAL HA H 97 4.917 4.990 -0.073 1
1 1098 . 15 1 1 A 97 97 VAL CB C 97 35.185 35.960 -0.775 1
1 1108 . 15 1 1 A 97 97 VAL C C 97 173.801 173.485 0.316 1
1 1109 . 15 1 1 A 98 98 ARG N N 98 125.203 122.382 2.821 1
1 1110 . 15 1 1 A 98 98 ARG H H 98 8.826 8.573 0.253 1
1 1111 . 15 1 1 A 98 98 ARG CA C 98 56.337 54.566 1.771 1
1 1112 . 15 1 1 A 98 98 ARG HA H 98 4.610 5.172 -0.562 1
1 1113 . 15 1 1 A 98 98 ARG CB C 98 32.031 33.725 -1.694 1
1 1119 . 15 1 1 A 98 98 ARG C C 98 174.438 174.584 -0.146 1
1 1123 . 15 1 1 A 99 99 VAL N N 99 127.382 126.408 0.974 1
1 1124 . 15 1 1 A 99 99 VAL H H 99 8.144 8.936 -0.792 1
1 1125 . 15 1 1 A 99 99 VAL CA C 99 61.216 61.329 -0.113 1
1 1126 . 15 1 1 A 99 99 VAL HA H 99 4.115 4.721 -0.606 1
1 1127 . 15 1 1 A 99 99 VAL CB C 99 32.590 33.250 -0.660 1
1 1137 . 15 1 1 A 99 99 VAL C C 99 176.994 175.074 1.920 1
1 1138 . 15 1 1 A 100 100 GLY N N 100 117.424 114.208 3.216 1
1 1139 . 15 1 1 A 100 100 GLY H H 100 8.682 7.950 0.732 1
1 1140 . 15 1 1 A 100 100 GLY CA C 100 44.650 45.939 -1.289 1
1 1141 . 15 1 1 A 100 100 GLY HA3 H 100 4.386 4.175 0.211 1
1 1142 . 15 1 1 A 100 100 GLY C C 100 173.180 171.761 1.419 1
1 1143 . 15 1 1 A 100 100 GLY HA2 H 100 3.954 4.175 -0.221 1
1 1144 . 15 1 1 A 101 101 GLU N N 101 119.495 120.630 -1.135 1
1 1145 . 15 1 1 A 101 101 GLU H H 101 8.383 8.455 -0.072 1
1 1146 . 15 1 1 A 101 101 GLU CA C 101 54.168 53.735 0.433 1
1 1147 . 15 1 1 A 101 101 GLU HA H 101 4.661 4.634 0.027 1
1 1148 . 15 1 1 A 101 101 GLU CB C 101 29.836 29.645 0.191 1
1 1152 . 15 1 1 A 101 101 GLU C C 101 175.458 176.316 -0.858 1
1 1155 . 15 1 1 A 102 102 PRO CA C 102 63.897 63.756 0.141 1
1 1156 . 15 1 1 A 102 102 PRO HA H 102 4.361 4.430 -0.069 1
1 1157 . 15 1 1 A 102 102 PRO CB C 102 31.946 32.259 -0.313 1
1 1163 . 15 1 1 A 102 102 PRO C C 102 177.509 176.739 0.770 1
1 1167 . 15 1 1 A 103 103 GLY N N 103 109.378 108.861 0.517 1
1 1168 . 15 1 1 A 103 103 GLY H H 103 8.552 7.643 0.909 1
1 1169 . 15 1 1 A 103 103 GLY CA C 103 45.263 43.961 1.302 1
1 1170 . 15 1 1 A 103 103 GLY HA3 H 103 3.962 4.084 -0.122 1
1 1171 . 15 1 1 A 103 103 GLY C C 103 174.277 175.131 -0.854 1
1 1172 . 15 1 1 A 103 103 GLY HA2 H 103 3.962 4.083 -0.121 1
1 1173 . 15 1 1 A 104 104 GLN N N 104 119.735 120.894 -1.159 1
1 1174 . 15 1 1 A 104 104 GLN H H 104 8.096 8.849 -0.753 1
1 1175 . 15 1 1 A 104 104 GLN CA C 104 55.924 59.430 -3.506 1
1 1176 . 15 1 1 A 104 104 GLN HA H 104 4.339 3.973 0.366 1
1 1177 . 15 1 1 A 104 104 GLN CB C 104 29.622 28.459 1.163 1
1 1184 . 15 1 1 A 104 104 GLN C C 104 175.669 175.887 -0.218 1
1 1187 . 15 1 1 A 105 105 ALA N N 105 125.603 120.692 4.911 1
1 1188 . 15 1 1 A 105 105 ALA H H 105 8.389 7.937 0.452 1
1 1189 . 15 1 1 A 105 105 ALA CA C 105 52.416 53.407 -0.991 1
1 1190 . 15 1 1 A 105 105 ALA HA H 105 4.385 4.014 0.371 1
1 1191 . 15 1 1 A 105 105 ALA CB C 105 19.608 17.284 2.324 1
1 1195 . 15 1 1 A 105 105 ALA C C 105 176.971 177.272 -0.301 1
1 1 . 16 1 1 A 8 8 SER CA C 8 59.066 57.515 1.551 1
1 2 . 16 1 1 A 8 8 SER HA H 8 4.444 5.017 -0.573 1
1 3 . 16 1 1 A 8 8 SER CB C 8 63.749 66.815 -3.066 1
1 5 . 16 1 1 A 8 8 SER C C 8 174.832 172.398 2.434 1
1 7 . 16 1 1 A 9 9 ASP N N 9 122.244 122.331 -0.087 1
1 8 . 16 1 1 A 9 9 ASP H H 9 8.460 8.917 -0.457 1
1 9 . 16 1 1 A 9 9 ASP CA C 9 54.943 52.167 2.776 1
1 10 . 16 1 1 A 9 9 ASP HA H 9 4.730 5.515 -0.785 1
1 11 . 16 1 1 A 9 9 ASP CB C 9 41.125 45.177 -4.052 1
1 13 . 16 1 1 A 9 9 ASP C C 9 176.845 174.946 1.899 1
1 15 . 16 1 1 A 10 10 ASP N N 10 120.929 118.590 2.339 1
1 16 . 16 1 1 A 10 10 ASP H H 10 8.121 9.028 -0.907 1
1 17 . 16 1 1 A 10 10 ASP CA C 10 55.841 53.373 2.468 1
1 18 . 16 1 1 A 10 10 ASP HA H 10 4.523 5.205 -0.682 1
1 19 . 16 1 1 A 10 10 ASP CB C 10 41.834 41.605 0.229 1
1 21 . 16 1 1 A 10 10 ASP C C 10 177.047 176.565 0.482 1
1 23 . 16 1 1 A 11 11 ALA N N 11 122.815 122.035 0.780 1
1 24 . 16 1 1 A 11 11 ALA H H 11 8.520 8.290 0.230 1
1 25 . 16 1 1 A 11 11 ALA CA C 11 54.828 55.100 -0.272 1
1 26 . 16 1 1 A 11 11 ALA HA H 11 4.004 3.712 0.292 1
1 27 . 16 1 1 A 11 11 ALA CB C 11 19.454 18.698 0.756 1
1 31 . 16 1 1 A 11 11 ALA C C 11 179.280 179.288 -0.008 1
1 32 . 16 1 1 A 12 12 ARG N N 12 115.782 116.914 -1.132 1
1 33 . 16 1 1 A 12 12 ARG H H 12 8.159 7.980 0.179 1
1 34 . 16 1 1 A 12 12 ARG CA C 12 57.578 57.919 -0.341 1
1 35 . 16 1 1 A 12 12 ARG HA H 12 4.310 4.176 0.134 1
1 36 . 16 1 1 A 12 12 ARG CB C 12 29.817 29.886 -0.069 1
1 42 . 16 1 1 A 12 12 ARG C C 12 176.412 177.196 -0.784 1
1 46 . 16 1 1 A 13 13 ARG N N 13 117.438 117.307 0.131 1
1 47 . 16 1 1 A 13 13 ARG H H 13 7.858 7.563 0.295 1
1 48 . 16 1 1 A 13 13 ARG CA C 13 56.855 55.077 1.778 1
1 49 . 16 1 1 A 13 13 ARG HA H 13 4.183 4.460 -0.277 1
1 50 . 16 1 1 A 13 13 ARG CB C 13 30.976 29.987 0.989 1
1 56 . 16 1 1 A 13 13 ARG C C 13 176.451 174.296 2.155 1
1 60 . 16 1 1 A 14 14 LEU N N 14 121.077 120.839 0.238 1
1 61 . 16 1 1 A 14 14 LEU H H 14 6.925 7.428 -0.503 1
1 62 . 16 1 1 A 14 14 LEU CA C 14 56.582 53.401 3.181 1
1 63 . 16 1 1 A 14 14 LEU HA H 14 4.394 4.898 -0.504 1
1 64 . 16 1 1 A 14 14 LEU CB C 14 42.968 45.674 -2.706 1
1 76 . 16 1 1 A 14 14 LEU C C 14 177.296 175.160 2.136 1
1 78 . 16 1 1 A 15 15 THR N N 15 115.028 121.323 -6.295 1
1 79 . 16 1 1 A 15 15 THR H H 15 8.716 8.778 -0.062 1
1 80 . 16 1 1 A 15 15 THR CA C 15 61.169 61.580 -0.411 1
1 81 . 16 1 1 A 15 15 THR HA H 15 4.667 4.917 -0.250 1
1 82 . 16 1 1 A 15 15 THR CB C 15 71.348 70.533 0.815 1
1 88 . 16 1 1 A 15 15 THR C C 15 173.454 173.341 0.113 1
1 89 . 16 1 1 A 16 16 VAL N N 16 126.736 127.345 -0.609 1
1 90 . 16 1 1 A 16 16 VAL H H 16 8.727 8.925 -0.198 1
1 91 . 16 1 1 A 16 16 VAL CA C 16 62.600 61.329 1.271 1
1 92 . 16 1 1 A 16 16 VAL HA H 16 4.539 4.439 0.100 1
1 93 . 16 1 1 A 16 16 VAL CB C 16 32.521 32.362 0.159 1
1 103 . 16 1 1 A 16 16 VAL C C 16 175.348 175.136 0.212 1
1 104 . 16 1 1 A 17 17 MET N N 17 126.444 126.511 -0.067 1
1 105 . 16 1 1 A 17 17 MET H H 17 9.255 8.675 0.580 1
1 106 . 16 1 1 A 17 17 MET CA C 17 54.872 54.560 0.312 1
1 107 . 16 1 1 A 17 17 MET HA H 17 4.806 4.756 0.050 1
1 108 . 16 1 1 A 17 17 MET CB C 17 35.443 34.424 1.019 1
1 116 . 16 1 1 A 17 17 MET C C 17 174.681 175.651 -0.970 1
1 119 . 16 1 1 A 18 18 SER N N 18 112.443 112.230 0.213 1
1 120 . 16 1 1 A 18 18 SER H H 18 8.568 8.581 -0.013 1
1 121 . 16 1 1 A 18 18 SER CA C 18 58.711 58.671 0.040 1
1 122 . 16 1 1 A 18 18 SER HA H 18 4.018 3.994 0.024 1
1 123 . 16 1 1 A 18 18 SER CB C 18 62.009 62.033 -0.024 1
1 125 . 16 1 1 A 18 18 SER C C 18 173.373 172.960 0.413 1
1 127 . 16 1 1 A 19 19 LEU N N 19 122.011 120.954 1.057 1
1 128 . 16 1 1 A 19 19 LEU H H 19 7.996 7.704 0.292 1
1 129 . 16 1 1 A 19 19 LEU CA C 19 54.978 53.895 1.083 1
1 130 . 16 1 1 A 19 19 LEU HA H 19 4.283 4.946 -0.663 1
1 131 . 16 1 1 A 19 19 LEU CB C 19 41.955 43.906 -1.951 1
1 143 . 16 1 1 A 19 19 LEU C C 19 176.135 175.162 0.973 1
1 145 . 16 1 1 A 20 20 GLN N N 20 127.739 126.871 0.868 1
1 146 . 16 1 1 A 20 20 GLN H H 20 8.669 8.867 -0.198 1
1 147 . 16 1 1 A 20 20 GLN CA C 20 55.617 55.424 0.193 1
1 148 . 16 1 1 A 20 20 GLN HA H 20 4.400 4.833 -0.433 1
1 149 . 16 1 1 A 20 20 GLN CB C 20 29.298 30.278 -0.980 1
1 156 . 16 1 1 A 20 20 GLN C C 20 175.033 175.797 -0.764 1
1 159 . 16 1 1 A 21 21 GLU N N 21 121.152 123.665 -2.513 1
1 160 . 16 1 1 A 21 21 GLU H H 21 8.546 8.696 -0.150 1
1 161 . 16 1 1 A 21 21 GLU CA C 21 57.598 56.906 0.692 1
1 162 . 16 1 1 A 21 21 GLU HA H 21 4.310 4.704 -0.394 1
1 163 . 16 1 1 A 21 21 GLU CB C 21 30.764 31.819 -1.055 1
1 167 . 16 1 1 A 21 21 GLU C C 21 176.581 176.896 -0.315 1
1 170 . 16 1 1 A 22 22 SER N N 22 113.328 111.122 2.206 1
1 171 . 16 1 1 A 22 22 SER H H 22 8.018 8.035 -0.017 1
1 172 . 16 1 1 A 22 22 SER CA C 22 57.682 56.923 0.759 1
1 173 . 16 1 1 A 22 22 SER HA H 22 4.997 4.682 0.315 1
1 174 . 16 1 1 A 22 22 SER CB C 22 64.489 63.824 0.665 1
1 176 . 16 1 1 A 22 22 SER C C 22 174.062 175.489 -1.427 1
1 178 . 16 1 1 A 23 23 GLY N N 23 109.317 110.012 -0.695 1
1 179 . 16 1 1 A 23 23 GLY H H 23 8.828 7.856 0.972 1
1 180 . 16 1 1 A 23 23 GLY CA C 23 45.609 45.348 0.261 1
1 181 . 16 1 1 A 23 23 GLY HA3 H 23 4.116 4.072 0.044 1
1 182 . 16 1 1 A 23 23 GLY C C 23 174.629 174.374 0.255 1
1 183 . 16 1 1 A 23 23 GLY HA2 H 23 3.832 4.070 -0.238 1
1 184 . 16 1 1 A 24 24 LEU N N 24 120.545 121.324 -0.779 1
1 185 . 16 1 1 A 24 24 LEU H H 24 7.559 7.300 0.259 1
1 186 . 16 1 1 A 24 24 LEU CA C 24 55.569 55.602 -0.033 1
1 187 . 16 1 1 A 24 24 LEU HA H 24 4.310 4.194 0.116 1
1 188 . 16 1 1 A 24 24 LEU CB C 24 42.978 42.380 0.598 1
1 200 . 16 1 1 A 24 24 LEU C C 24 176.704 175.788 0.916 1
1 202 . 16 1 1 A 25 25 LYS N N 25 122.188 120.473 1.715 1
1 203 . 16 1 1 A 25 25 LYS H H 25 8.828 8.875 -0.047 1
1 204 . 16 1 1 A 25 25 LYS CA C 25 54.686 54.517 0.169 1
1 205 . 16 1 1 A 25 25 LYS HA H 25 4.676 5.002 -0.326 1
1 206 . 16 1 1 A 25 25 LYS CB C 25 35.736 35.960 -0.224 1
1 214 . 16 1 1 A 25 25 LYS C C 25 175.885 176.284 -0.399 1
1 219 . 16 1 1 A 26 26 VAL N N 26 121.689 123.682 -1.993 1
1 220 . 16 1 1 A 26 26 VAL H H 26 8.503 8.573 -0.070 1
1 221 . 16 1 1 A 26 26 VAL CA C 26 64.069 62.850 1.219 1
1 222 . 16 1 1 A 26 26 VAL HA H 26 3.218 4.036 -0.818 1
1 223 . 16 1 1 A 26 26 VAL CB C 26 31.636 31.765 -0.129 1
1 233 . 16 1 1 A 26 26 VAL C C 26 175.837 175.820 0.017 1
1 234 . 16 1 1 A 27 27 ASN N N 27 116.772 119.202 -2.430 1
1 235 . 16 1 1 A 27 27 ASN H H 27 8.682 9.033 -0.351 1
1 236 . 16 1 1 A 27 27 ASN CA C 27 55.183 54.339 0.844 1
1 237 . 16 1 1 A 27 27 ASN HA H 27 4.138 4.307 -0.169 1
1 238 . 16 1 1 A 27 27 ASN CB C 27 37.242 37.136 0.106 1
1 243 . 16 1 1 A 27 27 ASN C C 27 173.308 173.618 -0.310 1
1 245 . 16 1 1 A 28 28 GLN N N 28 118.793 117.208 1.585 1
1 246 . 16 1 1 A 28 28 GLN H H 28 7.544 7.673 -0.129 1
1 247 . 16 1 1 A 28 28 GLN CA C 28 52.212 52.486 -0.274 1
1 248 . 16 1 1 A 28 28 GLN HA H 28 4.893 4.723 0.170 1
1 249 . 16 1 1 A 28 28 GLN CB C 28 30.060 32.021 -1.961 1
1 256 . 16 1 1 A 28 28 GLN C C 28 173.078 173.243 -0.165 1
1 259 . 16 1 1 A 29 29 PRO CA C 29 63.563 62.669 0.894 1
1 260 . 16 1 1 A 29 29 PRO HA H 29 4.294 4.629 -0.335 1
1 261 . 16 1 1 A 29 29 PRO CB C 29 31.874 31.715 0.159 1
1 267 . 16 1 1 A 29 29 PRO C C 29 175.250 175.773 -0.523 1
1 271 . 16 1 1 A 30 30 ALA N N 30 128.803 126.827 1.976 1
1 272 . 16 1 1 A 30 30 ALA H H 30 8.887 8.251 0.636 1
1 273 . 16 1 1 A 30 30 ALA CA C 30 50.558 50.356 0.202 1
1 274 . 16 1 1 A 30 30 ALA HA H 30 4.539 4.869 -0.330 1
1 275 . 16 1 1 A 30 30 ALA CB C 30 21.602 21.994 -0.392 1
1 279 . 16 1 1 A 30 30 ALA C C 30 175.510 175.475 0.035 1
1 280 . 16 1 1 A 31 31 SER N N 31 112.512 115.166 -2.654 1
1 281 . 16 1 1 A 31 31 SER H H 31 8.214 8.739 -0.525 1
1 282 . 16 1 1 A 31 31 SER CA C 31 56.701 56.898 -0.197 1
1 283 . 16 1 1 A 31 31 SER HA H 31 5.832 5.468 0.364 1
1 284 . 16 1 1 A 31 31 SER CB C 31 66.721 66.628 0.093 1
1 286 . 16 1 1 A 31 31 SER C C 31 173.379 173.461 -0.082 1
1 288 . 16 1 1 A 32 32 PHE N N 32 119.232 117.997 1.235 1
1 289 . 16 1 1 A 32 32 PHE H H 32 8.798 8.086 0.712 1
1 290 . 16 1 1 A 32 32 PHE CA C 32 56.218 55.380 0.838 1
1 291 . 16 1 1 A 32 32 PHE HA H 32 4.925 5.750 -0.825 1
1 292 . 16 1 1 A 32 32 PHE CB C 32 39.752 41.987 -2.235 1
1 304 . 16 1 1 A 32 32 PHE C C 32 172.709 172.990 -0.281 1
1 306 . 16 1 1 A 33 33 ALA N N 33 122.788 122.058 0.730 1
1 307 . 16 1 1 A 33 33 ALA H H 33 8.827 9.028 -0.201 1
1 308 . 16 1 1 A 33 33 ALA CA C 33 50.616 50.211 0.405 1
1 309 . 16 1 1 A 33 33 ALA HA H 33 5.654 5.394 0.260 1
1 310 . 16 1 1 A 33 33 ALA CB C 33 22.616 21.022 1.594 1
1 314 . 16 1 1 A 33 33 ALA C C 33 175.770 175.959 -0.189 1
1 315 . 16 1 1 A 34 34 ILE N N 34 118.542 124.044 -5.502 1
1 316 . 16 1 1 A 34 34 ILE H H 34 9.194 8.962 0.232 1
1 317 . 16 1 1 A 34 34 ILE CA C 34 59.486 60.550 -1.064 1
1 318 . 16 1 1 A 34 34 ILE HA H 34 4.978 4.623 0.355 1
1 319 . 16 1 1 A 34 34 ILE CB C 34 42.577 38.119 4.458 1
1 331 . 16 1 1 A 34 34 ILE C C 34 174.924 174.665 0.259 1
1 333 . 16 1 1 A 35 35 ARG N N 35 126.774 128.967 -2.193 1
1 334 . 16 1 1 A 35 35 ARG H H 35 9.038 8.989 0.049 1
1 335 . 16 1 1 A 35 35 ARG CA C 35 54.096 56.159 -2.063 1
1 336 . 16 1 1 A 35 35 ARG HA H 35 5.283 4.733 0.550 1
1 337 . 16 1 1 A 35 35 ARG CB C 35 32.039 31.292 0.747 1
1 343 . 16 1 1 A 35 35 ARG C C 35 175.959 175.034 0.925 1
1 347 . 16 1 1 A 36 36 LEU N N 36 123.887 127.417 -3.530 1
1 348 . 16 1 1 A 36 36 LEU H H 36 8.648 8.593 0.055 1
1 349 . 16 1 1 A 36 36 LEU CA C 36 56.318 53.474 2.844 1
1 350 . 16 1 1 A 36 36 LEU HA H 36 4.037 4.798 -0.761 1
1 351 . 16 1 1 A 36 36 LEU CB C 36 41.028 43.450 -2.422 1
1 363 . 16 1 1 A 36 36 LEU C C 36 177.292 176.519 0.773 1
1 365 . 16 1 1 A 37 37 ASN N N 37 115.087 122.816 -7.729 1
1 366 . 16 1 1 A 37 37 ASN H H 37 8.594 8.664 -0.070 1
1 367 . 16 1 1 A 37 37 ASN CA C 37 54.182 53.014 1.168 1
1 368 . 16 1 1 A 37 37 ASN HA H 37 4.407 4.820 -0.413 1
1 369 . 16 1 1 A 37 37 ASN CB C 37 37.687 38.715 -1.028 1
1 374 . 16 1 1 A 37 37 ASN C C 37 176.277 175.679 0.598 1
1 376 . 16 1 1 A 38 38 GLY N N 38 106.329 107.815 -1.486 1
1 377 . 16 1 1 A 38 38 GLY H H 38 9.506 8.153 1.353 1
1 378 . 16 1 1 A 38 38 GLY CA C 38 45.290 45.780 -0.490 1
1 379 . 16 1 1 A 38 38 GLY HA3 H 38 4.156 4.000 0.156 1
1 380 . 16 1 1 A 38 38 GLY C C 38 174.483 174.206 0.277 1
1 381 . 16 1 1 A 38 38 GLY HA2 H 38 3.617 3.989 -0.372 1
1 382 . 16 1 1 A 39 39 ALA N N 39 124.015 122.697 1.318 1
1 383 . 16 1 1 A 39 39 ALA H H 39 7.483 7.678 -0.195 1
1 384 . 16 1 1 A 39 39 ALA CA C 39 52.396 51.066 1.330 1
1 385 . 16 1 1 A 39 39 ALA HA H 39 4.280 4.846 -0.566 1
1 386 . 16 1 1 A 39 39 ALA CB C 39 20.424 21.991 -1.567 1
1 390 . 16 1 1 A 39 39 ALA C C 39 176.275 176.353 -0.078 1
1 391 . 16 1 1 A 40 40 LYS N N 40 119.513 115.538 3.975 1
1 392 . 16 1 1 A 40 40 LYS H H 40 8.685 9.003 -0.318 1
1 393 . 16 1 1 A 40 40 LYS CA C 40 54.696 55.175 -0.479 1
1 394 . 16 1 1 A 40 40 LYS HA H 40 4.811 5.308 -0.497 1
1 395 . 16 1 1 A 40 40 LYS CB C 40 34.324 36.255 -1.931 1
1 403 . 16 1 1 A 40 40 LYS C C 40 176.004 175.007 0.997 1
1 408 . 16 1 1 A 41 41 GLY N N 41 111.941 106.387 5.554 1
1 409 . 16 1 1 A 41 41 GLY H H 41 8.398 8.282 0.116 1
1 410 . 16 1 1 A 41 41 GLY CA C 41 45.887 45.378 0.509 1
1 411 . 16 1 1 A 41 41 GLY HA3 H 41 3.722 4.117 -0.395 1
1 412 . 16 1 1 A 41 41 GLY C C 41 171.021 171.850 -0.829 1
1 413 . 16 1 1 A 41 41 GLY HA2 H 41 3.722 3.808 -0.086 1
1 414 . 16 1 1 A 42 42 LYS N N 42 119.600 122.774 -3.174 1
1 415 . 16 1 1 A 42 42 LYS H H 42 7.293 7.690 -0.397 1
1 416 . 16 1 1 A 42 42 LYS CA C 42 54.522 54.723 -0.201 1
1 417 . 16 1 1 A 42 42 LYS HA H 42 4.467 4.811 -0.344 1
1 418 . 16 1 1 A 42 42 LYS CB C 42 34.979 34.523 0.456 1
1 426 . 16 1 1 A 42 42 LYS C C 42 175.675 175.482 0.193 1
1 431 . 16 1 1 A 43 43 ILE N N 43 127.421 125.958 1.463 1
1 432 . 16 1 1 A 43 43 ILE H H 43 8.706 8.846 -0.140 1
1 433 . 16 1 1 A 43 43 ILE CA C 43 60.336 59.934 0.402 1
1 434 . 16 1 1 A 43 43 ILE HA H 43 4.695 4.802 -0.107 1
1 435 . 16 1 1 A 43 43 ILE CB C 43 39.322 38.474 0.848 1
1 447 . 16 1 1 A 43 43 ILE C C 43 174.542 174.770 -0.228 1
1 449 . 16 1 1 A 44 44 ASP N N 44 127.995 127.164 0.831 1
1 450 . 16 1 1 A 44 44 ASP H H 44 8.861 8.879 -0.018 1
1 451 . 16 1 1 A 44 44 ASP CA C 44 53.245 52.856 0.389 1
1 452 . 16 1 1 A 44 44 ASP HA H 44 4.817 5.438 -0.621 1
1 453 . 16 1 1 A 44 44 ASP CB C 44 44.577 43.489 1.088 1
1 455 . 16 1 1 A 44 44 ASP C C 44 173.768 174.745 -0.977 1
1 457 . 16 1 1 A 45 45 ALA N N 45 127.601 127.251 0.350 1
1 458 . 16 1 1 A 45 45 ALA H H 45 8.819 8.989 -0.170 1
1 459 . 16 1 1 A 45 45 ALA CA C 45 50.180 50.472 -0.292 1
1 460 . 16 1 1 A 45 45 ALA HA H 45 5.859 5.380 0.479 1
1 461 . 16 1 1 A 45 45 ALA CB C 45 21.379 20.592 0.787 1
1 465 . 16 1 1 A 45 45 ALA C C 45 175.393 176.061 -0.668 1
1 466 . 16 1 1 A 46 46 LYS N N 46 122.427 123.064 -0.637 1
1 467 . 16 1 1 A 46 46 LYS H H 46 8.723 8.579 0.144 1
1 468 . 16 1 1 A 46 46 LYS CA C 46 55.090 54.429 0.661 1
1 469 . 16 1 1 A 46 46 LYS HA H 46 5.057 4.996 0.061 1
1 470 . 16 1 1 A 46 46 LYS CB C 46 37.534 36.332 1.202 1
1 478 . 16 1 1 A 46 46 LYS C C 46 173.473 174.524 -1.051 1
1 483 . 16 1 1 A 47 47 VAL N N 47 120.177 122.620 -2.443 1
1 484 . 16 1 1 A 47 47 VAL H H 47 8.989 8.824 0.165 1
1 485 . 16 1 1 A 47 47 VAL CA C 47 59.152 60.550 -1.398 1
1 486 . 16 1 1 A 47 47 VAL HA H 47 4.875 4.602 0.273 1
1 487 . 16 1 1 A 47 47 VAL CB C 47 34.502 33.736 0.766 1
1 497 . 16 1 1 A 47 47 VAL C C 47 173.786 174.166 -0.380 1
1 498 . 16 1 1 A 48 48 HIS N N 48 127.949 127.695 0.254 1
1 499 . 16 1 1 A 48 48 HIS H H 48 9.661 9.441 0.220 1
1 500 . 16 1 1 A 48 48 HIS CA C 48 53.917 54.838 -0.921 1
1 501 . 16 1 1 A 48 48 HIS HA H 48 5.238 5.278 -0.040 1
1 502 . 16 1 1 A 48 48 HIS CB C 48 30.549 32.874 -2.325 1
1 508 . 16 1 1 A 48 48 HIS C C 48 175.556 174.702 0.854 1
1 510 . 16 1 1 A 49 49 SER N N 49 121.639 115.290 6.349 1
1 511 . 16 1 1 A 49 49 SER H H 49 9.114 8.421 0.693 1
1 512 . 16 1 1 A 49 49 SER CA C 49 56.693 55.453 1.240 1
1 513 . 16 1 1 A 49 49 SER HA H 49 4.391 4.893 -0.502 1
1 514 . 16 1 1 A 49 49 SER CB C 49 63.160 65.409 -2.249 1
1 516 . 16 1 1 A 49 49 SER C C 49 174.390 174.734 -0.344 1
1 518 . 16 1 1 A 50 50 PRO CA C 50 65.732 64.135 1.597 1
1 519 . 16 1 1 A 50 50 PRO HA H 50 4.247 4.492 -0.245 1
1 520 . 16 1 1 A 50 50 PRO CB C 50 31.516 31.588 -0.072 1
1 526 . 16 1 1 A 50 50 PRO C C 50 177.969 176.937 1.032 1
1 530 . 16 1 1 A 51 51 SER N N 51 110.808 110.761 0.047 1
1 531 . 16 1 1 A 51 51 SER H H 51 8.539 7.762 0.777 1
1 532 . 16 1 1 A 51 51 SER CA C 51 59.311 58.677 0.634 1
1 533 . 16 1 1 A 51 51 SER HA H 51 4.331 4.481 -0.150 1
1 534 . 16 1 1 A 51 51 SER CB C 51 62.767 65.114 -2.347 1
1 536 . 16 1 1 A 51 51 SER C C 51 175.339 175.060 0.279 1
1 538 . 16 1 1 A 52 52 GLY N N 52 110.692 110.285 0.407 1
1 539 . 16 1 1 A 52 52 GLY H H 52 8.181 7.930 0.251 1
1 540 . 16 1 1 A 52 52 GLY CA C 52 44.862 45.298 -0.436 1
1 541 . 16 1 1 A 52 52 GLY HA3 H 52 4.444 4.064 0.380 1
1 542 . 16 1 1 A 52 52 GLY C C 52 174.389 173.967 0.422 1
1 543 . 16 1 1 A 52 52 GLY HA2 H 52 3.634 4.050 -0.416 1
1 544 . 16 1 1 A 53 53 ALA N N 53 124.417 123.077 1.340 1
1 545 . 16 1 1 A 53 53 ALA H H 53 7.419 7.780 -0.361 1
1 546 . 16 1 1 A 53 53 ALA CA C 53 52.538 50.968 1.570 1
1 547 . 16 1 1 A 53 53 ALA HA H 53 4.373 4.705 -0.332 1
1 548 . 16 1 1 A 53 53 ALA CB C 53 19.207 22.032 -2.825 1
1 552 . 16 1 1 A 53 53 ALA C C 53 176.519 175.847 0.672 1
1 553 . 16 1 1 A 54 54 VAL N N 54 121.228 120.913 0.315 1
1 554 . 16 1 1 A 54 54 VAL H H 54 8.429 8.679 -0.250 1
1 555 . 16 1 1 A 54 54 VAL CA C 54 60.672 61.369 -0.697 1
1 556 . 16 1 1 A 54 54 VAL HA H 54 4.980 4.401 0.579 1
1 557 . 16 1 1 A 54 54 VAL CB C 54 33.933 33.592 0.341 1
1 567 . 16 1 1 A 54 54 VAL C C 54 175.443 174.927 0.516 1
1 568 . 16 1 1 A 55 55 GLU N N 55 126.290 126.742 -0.452 1
1 569 . 16 1 1 A 55 55 GLU H H 55 8.640 9.090 -0.450 1
1 570 . 16 1 1 A 55 55 GLU CA C 55 54.306 54.181 0.125 1
1 571 . 16 1 1 A 55 55 GLU HA H 55 4.754 4.776 -0.022 1
1 572 . 16 1 1 A 55 55 GLU CB C 55 33.612 32.808 0.804 1
1 576 . 16 1 1 A 55 55 GLU C C 55 175.073 174.791 0.282 1
1 579 . 16 1 1 A 56 56 GLU N N 56 123.200 122.868 0.332 1
1 580 . 16 1 1 A 56 56 GLU H H 56 8.878 8.671 0.207 1
1 581 . 16 1 1 A 56 56 GLU CA C 56 56.966 56.050 0.916 1
1 582 . 16 1 1 A 56 56 GLU HA H 56 4.479 4.688 -0.209 1
1 583 . 16 1 1 A 56 56 GLU CB C 56 30.258 30.981 -0.723 1
1 587 . 16 1 1 A 56 56 GLU C C 56 177.592 175.474 2.118 1
1 590 . 16 1 1 A 57 57 CYS N N 57 121.919 123.658 -1.739 1
1 591 . 16 1 1 A 57 57 CYS H H 57 8.496 8.346 0.150 1
1 592 . 16 1 1 A 57 57 CYS CA C 57 59.030 57.689 1.341 1
1 593 . 16 1 1 A 57 57 CYS HA H 57 4.690 5.153 -0.463 1
1 594 . 16 1 1 A 57 57 CYS CB C 57 29.620 29.390 0.230 1
1 596 . 16 1 1 A 57 57 CYS C C 57 173.871 174.347 -0.476 1
1 598 . 16 1 1 A 58 58 HIS N N 58 123.415 124.393 -0.978 1
1 599 . 16 1 1 A 58 58 HIS H H 58 8.961 8.790 0.171 1
1 600 . 16 1 1 A 58 58 HIS CA C 58 56.751 57.398 -0.647 1
1 601 . 16 1 1 A 58 58 HIS HA H 58 4.725 4.540 0.185 1
1 602 . 16 1 1 A 58 58 HIS CB C 58 31.813 30.141 1.672 1
1 608 . 16 1 1 A 58 58 HIS C C 58 174.903 173.948 0.955 1
1 610 . 16 1 1 A 59 59 VAL N N 59 128.900 128.560 0.340 1
1 611 . 16 1 1 A 59 59 VAL H H 59 8.521 8.630 -0.109 1
1 612 . 16 1 1 A 59 59 VAL CA C 59 61.131 60.942 0.189 1
1 613 . 16 1 1 A 59 59 VAL HA H 59 5.142 4.617 0.525 1
1 614 . 16 1 1 A 59 59 VAL CB C 59 33.825 33.621 0.204 1
1 624 . 16 1 1 A 59 59 VAL C C 59 175.539 174.544 0.995 1
1 625 . 16 1 1 A 60 60 SER N N 60 120.428 123.468 -3.040 1
1 626 . 16 1 1 A 60 60 SER H H 60 8.995 8.699 0.296 1
1 627 . 16 1 1 A 60 60 SER CA C 60 56.782 56.903 -0.121 1
1 628 . 16 1 1 A 60 60 SER HA H 60 4.823 5.052 -0.229 1
1 629 . 16 1 1 A 60 60 SER CB C 60 65.880 65.879 0.001 1
1 631 . 16 1 1 A 60 60 SER C C 60 172.353 172.223 0.130 1
1 633 . 16 1 1 A 61 61 GLU N N 61 125.163 125.194 -0.031 1
1 634 . 16 1 1 A 61 61 GLU H H 61 8.894 8.705 0.189 1
1 635 . 16 1 1 A 61 61 GLU CA C 61 57.081 54.667 2.414 1
1 636 . 16 1 1 A 61 61 GLU HA H 61 3.545 4.045 -0.500 1
1 637 . 16 1 1 A 61 61 GLU CB C 61 30.675 29.347 1.328 1
1 641 . 16 1 1 A 61 61 GLU C C 61 176.353 176.016 0.337 1
1 644 . 16 1 1 A 62 62 LEU N N 62 129.563 128.356 1.207 1
1 645 . 16 1 1 A 62 62 LEU H H 62 8.800 8.589 0.211 1
1 646 . 16 1 1 A 62 62 LEU CA C 62 56.462 56.146 0.316 1
1 647 . 16 1 1 A 62 62 LEU HA H 62 4.341 4.316 0.025 1
1 648 . 16 1 1 A 62 62 LEU CB C 62 44.020 42.669 1.351 1
1 660 . 16 1 1 A 62 62 LEU C C 62 176.662 177.127 -0.465 1
1 662 . 16 1 1 A 63 63 GLU N N 63 117.143 117.193 -0.050 1
1 663 . 16 1 1 A 63 63 GLU H H 63 8.292 7.198 1.094 1
1 664 . 16 1 1 A 63 63 GLU CA C 63 53.777 53.111 0.666 1
1 665 . 16 1 1 A 63 63 GLU HA H 63 4.655 4.722 -0.067 1
1 666 . 16 1 1 A 63 63 GLU CB C 63 29.768 31.210 -1.442 1
1 670 . 16 1 1 A 63 63 GLU C C 63 172.058 176.126 -4.068 1
1 673 . 16 1 1 A 64 64 PRO CA C 64 65.767 64.420 1.347 1
1 674 . 16 1 1 A 64 64 PRO HA H 64 4.227 4.498 -0.271 1
1 675 . 16 1 1 A 64 64 PRO CB C 64 31.005 31.923 -0.918 1
1 681 . 16 1 1 A 64 64 PRO C C 64 177.068 176.640 0.428 1
1 685 . 16 1 1 A 65 65 ASP N N 65 118.425 116.756 1.669 1
1 686 . 16 1 1 A 65 65 ASP H H 65 8.965 8.338 0.627 1
1 687 . 16 1 1 A 65 65 ASP CA C 65 55.827 54.219 1.608 1
1 688 . 16 1 1 A 65 65 ASP HA H 65 4.589 4.960 -0.371 1
1 689 . 16 1 1 A 65 65 ASP CB C 65 43.713 42.608 1.105 1
1 691 . 16 1 1 A 65 65 ASP C C 65 174.921 175.073 -0.152 1
1 693 . 16 1 1 A 66 66 LYS N N 66 120.940 120.719 0.221 1
1 694 . 16 1 1 A 66 66 LYS H H 66 8.476 7.532 0.944 1
1 695 . 16 1 1 A 66 66 LYS CA C 66 55.938 55.096 0.842 1
1 696 . 16 1 1 A 66 66 LYS HA H 66 5.476 5.126 0.350 1
1 697 . 16 1 1 A 66 66 LYS CB C 66 36.812 36.166 0.646 1
1 705 . 16 1 1 A 66 66 LYS C C 66 173.912 174.470 -0.558 1
1 710 . 16 1 1 A 67 67 TYR N N 67 126.047 123.569 2.478 1
1 711 . 16 1 1 A 67 67 TYR H H 67 9.291 9.218 0.073 1
1 712 . 16 1 1 A 67 67 TYR CA C 67 56.589 56.515 0.074 1
1 713 . 16 1 1 A 67 67 TYR HA H 67 5.136 5.243 -0.107 1
1 714 . 16 1 1 A 67 67 TYR CB C 67 41.933 43.260 -1.327 1
1 724 . 16 1 1 A 67 67 TYR C C 67 174.424 174.249 0.175 1
1 726 . 16 1 1 A 68 68 ALA N N 68 123.234 122.896 0.338 1
1 727 . 16 1 1 A 68 68 ALA H H 68 9.393 8.334 1.059 1
1 728 . 16 1 1 A 68 68 ALA CA C 68 50.620 50.609 0.011 1
1 729 . 16 1 1 A 68 68 ALA HA H 68 5.002 5.307 -0.305 1
1 730 . 16 1 1 A 68 68 ALA CB C 68 21.211 22.996 -1.785 1
1 734 . 16 1 1 A 68 68 ALA C C 68 176.258 175.626 0.632 1
1 735 . 16 1 1 A 69 69 VAL N N 69 121.910 120.560 1.350 1
1 736 . 16 1 1 A 69 69 VAL H H 69 8.412 8.378 0.034 1
1 737 . 16 1 1 A 69 69 VAL CA C 69 61.147 60.856 0.291 1
1 738 . 16 1 1 A 69 69 VAL HA H 69 4.587 5.025 -0.438 1
1 739 . 16 1 1 A 69 69 VAL CB C 69 32.409 34.428 -2.019 1
1 749 . 16 1 1 A 69 69 VAL C C 69 174.300 173.737 0.563 1
1 750 . 16 1 1 A 70 70 ARG N N 70 125.218 129.576 -4.358 1
1 751 . 16 1 1 A 70 70 ARG H H 70 8.926 9.489 -0.563 1
1 752 . 16 1 1 A 70 70 ARG CA C 70 54.404 54.586 -0.182 1
1 753 . 16 1 1 A 70 70 ARG HA H 70 5.665 5.094 0.571 1
1 754 . 16 1 1 A 70 70 ARG CB C 70 34.966 32.153 2.813 1
1 760 . 16 1 1 A 70 70 ARG C C 70 175.124 174.996 0.128 1
1 764 . 16 1 1 A 71 71 PHE N N 71 120.657 120.373 0.284 1
1 765 . 16 1 1 A 71 71 PHE H H 71 8.780 8.819 -0.039 1
1 766 . 16 1 1 A 71 71 PHE CA C 71 55.969 56.188 -0.219 1
1 767 . 16 1 1 A 71 71 PHE HA H 71 5.082 5.149 -0.067 1
1 768 . 16 1 1 A 71 71 PHE CB C 71 41.335 40.907 0.428 1
1 780 . 16 1 1 A 71 71 PHE C C 71 171.920 172.080 -0.160 1
1 782 . 16 1 1 A 72 72 ILE N N 72 120.347 120.824 -0.477 1
1 783 . 16 1 1 A 72 72 ILE H H 72 8.714 8.911 -0.197 1
1 784 . 16 1 1 A 72 72 ILE CA C 72 57.669 58.042 -0.373 1
1 785 . 16 1 1 A 72 72 ILE HA H 72 4.469 4.554 -0.085 1
1 786 . 16 1 1 A 72 72 ILE CB C 72 39.824 39.557 0.267 1
1 798 . 16 1 1 A 72 72 ILE C C 72 173.612 174.892 -1.280 1
1 800 . 16 1 1 A 73 73 PRO CA C 73 62.050 62.217 -0.167 1
1 801 . 16 1 1 A 73 73 PRO HA H 73 4.493 4.623 -0.130 1
1 802 . 16 1 1 A 73 73 PRO CB C 73 33.680 29.047 4.633 1
1 808 . 16 1 1 A 73 73 PRO C C 73 176.990 175.374 1.616 1
1 812 . 16 1 1 A 74 74 HIS N N 74 119.655 117.615 2.040 1
1 813 . 16 1 1 A 74 74 HIS H H 74 10.240 8.395 1.845 1
1 814 . 16 1 1 A 74 74 HIS CA C 74 54.660 53.814 0.846 1
1 815 . 16 1 1 A 74 74 HIS HA H 74 5.035 5.695 -0.660 1
1 816 . 16 1 1 A 74 74 HIS CB C 74 30.530 31.665 -1.135 1
1 822 . 16 1 1 A 74 74 HIS C C 74 173.624 174.162 -0.538 1
1 824 . 16 1 1 A 75 75 GLU N N 75 118.178 123.047 -4.869 1
1 825 . 16 1 1 A 75 75 GLU H H 75 7.772 8.789 -1.017 1
1 826 . 16 1 1 A 75 75 GLU CA C 75 54.166 54.312 -0.146 1
1 827 . 16 1 1 A 75 75 GLU HA H 75 4.654 4.851 -0.197 1
1 828 . 16 1 1 A 75 75 GLU CB C 75 33.422 33.625 -0.203 1
1 832 . 16 1 1 A 75 75 GLU C C 75 173.599 175.992 -2.393 1
1 835 . 16 1 1 A 76 76 ASN N N 76 116.760 117.191 -0.431 1
1 836 . 16 1 1 A 76 76 ASN H H 76 8.530 8.658 -0.128 1
1 837 . 16 1 1 A 76 76 ASN CA C 76 53.486 51.887 1.599 1
1 838 . 16 1 1 A 76 76 ASN HA H 76 4.606 5.059 -0.453 1
1 839 . 16 1 1 A 76 76 ASN CB C 76 40.184 38.759 1.425 1
1 844 . 16 1 1 A 76 76 ASN C C 76 175.598 175.111 0.487 1
1 846 . 16 1 1 A 77 77 GLY N N 77 106.497 107.890 -1.393 1
1 847 . 16 1 1 A 77 77 GLY H H 77 9.152 7.545 1.607 1
1 848 . 16 1 1 A 77 77 GLY CA C 77 43.752 46.184 -2.432 1
1 849 . 16 1 1 A 77 77 GLY HA3 H 77 4.797 4.105 0.692 1
1 850 . 16 1 1 A 77 77 GLY C C 77 176.329 171.873 4.456 1
1 851 . 16 1 1 A 77 77 GLY HA2 H 77 3.897 4.085 -0.188 1
1 852 . 16 1 1 A 78 78 VAL N N 78 124.582 122.416 2.166 1
1 853 . 16 1 1 A 78 78 VAL H H 78 9.334 8.306 1.028 1
1 854 . 16 1 1 A 78 78 VAL CA C 78 64.642 61.069 3.573 1
1 855 . 16 1 1 A 78 78 VAL HA H 78 4.399 4.805 -0.406 1
1 856 . 16 1 1 A 78 78 VAL CB C 78 31.464 33.895 -2.431 1
1 866 . 16 1 1 A 78 78 VAL C C 78 176.269 175.407 0.862 1
1 867 . 16 1 1 A 79 79 HIS N N 79 129.160 125.845 3.315 1
1 868 . 16 1 1 A 79 79 HIS H H 79 9.854 8.978 0.876 1
1 869 . 16 1 1 A 79 79 HIS CA C 79 55.150 55.960 -0.810 1
1 870 . 16 1 1 A 79 79 HIS HA H 79 4.921 5.501 -0.580 1
1 871 . 16 1 1 A 79 79 HIS CB C 79 30.772 31.859 -1.087 1
1 877 . 16 1 1 A 79 79 HIS C C 79 174.062 175.122 -1.060 1
1 879 . 16 1 1 A 80 80 THR N N 80 116.006 114.881 1.125 1
1 880 . 16 1 1 A 80 80 THR H H 80 8.526 8.411 0.115 1
1 881 . 16 1 1 A 80 80 THR CA C 80 60.983 61.625 -0.642 1
1 882 . 16 1 1 A 80 80 THR HA H 80 5.380 5.302 0.078 1
1 883 . 16 1 1 A 80 80 THR CB C 80 70.590 71.492 -0.902 1
1 889 . 16 1 1 A 80 80 THR C C 80 173.671 173.207 0.464 1
1 890 . 16 1 1 A 81 81 ILE N N 81 127.414 128.957 -1.543 1
1 891 . 16 1 1 A 81 81 ILE H H 81 9.745 9.403 0.342 1
1 892 . 16 1 1 A 81 81 ILE CA C 81 60.037 60.648 -0.611 1
1 893 . 16 1 1 A 81 81 ILE HA H 81 4.867 4.540 0.327 1
1 894 . 16 1 1 A 81 81 ILE CB C 81 39.883 38.039 1.844 1
1 906 . 16 1 1 A 81 81 ILE C C 81 175.279 174.371 0.908 1
1 908 . 16 1 1 A 82 82 ASP N N 82 128.375 128.550 -0.175 1
1 909 . 16 1 1 A 82 82 ASP H H 82 9.157 8.988 0.169 1
1 910 . 16 1 1 A 82 82 ASP CA C 82 53.084 52.985 0.099 1
1 911 . 16 1 1 A 82 82 ASP HA H 82 5.060 5.003 0.057 1
1 912 . 16 1 1 A 82 82 ASP CB C 82 42.929 42.145 0.784 1
1 914 . 16 1 1 A 82 82 ASP C C 82 175.923 175.074 0.849 1
1 916 . 16 1 1 A 83 83 VAL N N 83 125.651 126.030 -0.379 1
1 917 . 16 1 1 A 83 83 VAL H H 83 9.897 8.630 1.267 1
1 918 . 16 1 1 A 83 83 VAL CA C 83 62.407 61.511 0.896 1
1 919 . 16 1 1 A 83 83 VAL HA H 83 4.553 4.732 -0.179 1
1 920 . 16 1 1 A 83 83 VAL CB C 83 33.233 32.874 0.359 1
1 930 . 16 1 1 A 83 83 VAL C C 83 173.327 174.695 -1.368 1
1 931 . 16 1 1 A 84 84 LYS N N 84 124.405 127.303 -2.898 1
1 932 . 16 1 1 A 84 84 LYS H H 84 8.874 8.928 -0.054 1
1 933 . 16 1 1 A 84 84 LYS CA C 84 53.901 54.625 -0.724 1
1 934 . 16 1 1 A 84 84 LYS HA H 84 5.065 4.793 0.272 1
1 935 . 16 1 1 A 84 84 LYS CB C 84 36.851 34.947 1.904 1
1 943 . 16 1 1 A 84 84 LYS C C 84 174.760 174.720 0.040 1
1 948 . 16 1 1 A 85 85 PHE N N 85 120.871 124.761 -3.890 1
1 949 . 16 1 1 A 85 85 PHE H H 85 9.167 8.823 0.344 1
1 950 . 16 1 1 A 85 85 PHE CA C 85 56.014 57.498 -1.484 1
1 951 . 16 1 1 A 85 85 PHE HA H 85 5.157 5.147 0.010 1
1 952 . 16 1 1 A 85 85 PHE CB C 85 42.916 41.906 1.010 1
1 964 . 16 1 1 A 85 85 PHE C C 85 175.473 174.884 0.589 1
1 966 . 16 1 1 A 86 86 ASN N N 86 126.732 125.379 1.353 1
1 967 . 16 1 1 A 86 86 ASN H H 86 8.714 8.758 -0.044 1
1 968 . 16 1 1 A 86 86 ASN CA C 86 53.835 53.892 -0.057 1
1 969 . 16 1 1 A 86 86 ASN HA H 86 4.216 4.234 -0.018 1
1 970 . 16 1 1 A 86 86 ASN CB C 86 36.789 37.204 -0.415 1
1 975 . 16 1 1 A 86 86 ASN C C 86 175.700 174.649 1.051 1
1 977 . 16 1 1 A 87 87 GLY N N 87 102.449 105.183 -2.734 1
1 978 . 16 1 1 A 87 87 GLY H H 87 8.986 8.630 0.356 1
1 979 . 16 1 1 A 87 87 GLY CA C 87 45.490 46.580 -1.090 1
1 980 . 16 1 1 A 87 87 GLY HA3 H 87 4.223 3.927 0.296 1
1 981 . 16 1 1 A 87 87 GLY C C 87 174.149 173.572 0.577 1
1 982 . 16 1 1 A 87 87 GLY HA2 H 87 3.555 3.916 -0.361 1
1 983 . 16 1 1 A 88 88 SER N N 88 116.260 113.438 2.822 1
1 984 . 16 1 1 A 88 88 SER H H 88 7.670 7.743 -0.073 1
1 985 . 16 1 1 A 88 88 SER CA C 88 57.194 57.722 -0.528 1
1 986 . 16 1 1 A 88 88 SER HA H 88 4.935 4.817 0.118 1
1 987 . 16 1 1 A 88 88 SER CB C 88 65.421 65.921 -0.500 1
1 989 . 16 1 1 A 88 88 SER C C 88 173.491 173.196 0.295 1
1 991 . 16 1 1 A 89 89 HIS N N 89 124.290 125.578 -1.288 1
1 992 . 16 1 1 A 89 89 HIS H H 89 8.847 8.942 -0.095 1
1 993 . 16 1 1 A 89 89 HIS CA C 89 59.048 57.462 1.586 1
1 994 . 16 1 1 A 89 89 HIS HA H 89 4.543 4.643 -0.100 1
1 995 . 16 1 1 A 89 89 HIS CB C 89 32.463 29.876 2.587 1
1 1001 . 16 1 1 A 89 89 HIS C C 89 177.441 175.588 1.853 1
1 1003 . 16 1 1 A 90 90 VAL N N 90 116.253 122.406 -6.153 1
1 1004 . 16 1 1 A 90 90 VAL H H 90 8.283 7.888 0.395 1
1 1005 . 16 1 1 A 90 90 VAL CA C 90 60.279 62.423 -2.144 1
1 1006 . 16 1 1 A 90 90 VAL HA H 90 4.291 4.040 0.251 1
1 1007 . 16 1 1 A 90 90 VAL CB C 90 31.601 33.222 -1.621 1
1 1017 . 16 1 1 A 90 90 VAL C C 90 176.074 175.682 0.392 1
1 1018 . 16 1 1 A 91 91 VAL N N 91 123.139 119.851 3.288 1
1 1019 . 16 1 1 A 91 91 VAL H H 91 8.910 8.457 0.453 1
1 1020 . 16 1 1 A 91 91 VAL CA C 91 66.030 62.999 3.031 1
1 1021 . 16 1 1 A 91 91 VAL HA H 91 3.632 3.914 -0.282 1
1 1022 . 16 1 1 A 91 91 VAL CB C 91 30.897 31.608 -0.711 1
1 1032 . 16 1 1 A 91 91 VAL C C 91 177.012 176.180 0.832 1
1 1033 . 16 1 1 A 92 92 GLY N N 92 116.727 114.307 2.420 1
1 1034 . 16 1 1 A 92 92 GLY H H 92 8.396 8.826 -0.430 1
1 1035 . 16 1 1 A 92 92 GLY CA C 92 44.466 46.302 -1.836 1
1 1036 . 16 1 1 A 92 92 GLY HA3 H 92 4.180 3.708 0.472 1
1 1037 . 16 1 1 A 92 92 GLY C C 92 172.077 173.145 -1.068 1
1 1038 . 16 1 1 A 92 92 GLY HA2 H 92 3.221 3.701 -0.480 1
1 1039 . 16 1 1 A 93 93 SER N N 93 112.885 115.295 -2.410 1
1 1040 . 16 1 1 A 93 93 SER H H 93 7.484 7.569 -0.085 1
1 1041 . 16 1 1 A 93 93 SER CA C 93 54.547 54.545 0.002 1
1 1042 . 16 1 1 A 93 93 SER HA H 93 4.065 4.310 -0.245 1
1 1043 . 16 1 1 A 93 93 SER CB C 93 62.575 65.196 -2.621 1
1 1045 . 16 1 1 A 93 93 SER C C 93 174.608 172.194 2.414 1
1 1047 . 16 1 1 A 94 94 PRO CA C 94 62.477 62.265 0.212 1
1 1048 . 16 1 1 A 94 94 PRO HA H 94 5.491 4.531 0.960 1
1 1049 . 16 1 1 A 94 94 PRO CB C 94 34.106 32.656 1.450 1
1 1055 . 16 1 1 A 94 94 PRO C C 94 176.779 175.139 1.640 1
1 1059 . 16 1 1 A 95 95 PHE N N 95 123.133 119.457 3.676 1
1 1060 . 16 1 1 A 95 95 PHE H H 95 9.200 8.798 0.402 1
1 1061 . 16 1 1 A 95 95 PHE CA C 95 57.291 57.485 -0.194 1
1 1062 . 16 1 1 A 95 95 PHE HA H 95 4.581 4.938 -0.357 1
1 1063 . 16 1 1 A 95 95 PHE CB C 95 41.165 41.718 -0.553 1
1 1075 . 16 1 1 A 95 95 PHE C C 95 175.687 174.690 0.997 1
1 1077 . 16 1 1 A 96 96 LYS N N 96 122.134 118.793 3.341 1
1 1078 . 16 1 1 A 96 96 LYS H H 96 8.790 9.128 -0.338 1
1 1079 . 16 1 1 A 96 96 LYS CA C 96 55.249 54.530 0.719 1
1 1080 . 16 1 1 A 96 96 LYS HA H 96 5.276 5.326 -0.050 1
1 1081 . 16 1 1 A 96 96 LYS CB C 96 33.836 36.034 -2.198 1
1 1089 . 16 1 1 A 96 96 LYS C C 96 176.515 175.444 1.071 1
1 1094 . 16 1 1 A 97 97 VAL N N 97 117.706 117.948 -0.242 1
1 1095 . 16 1 1 A 97 97 VAL H H 97 8.873 8.572 0.301 1
1 1096 . 16 1 1 A 97 97 VAL CA C 97 59.188 59.267 -0.079 1
1 1097 . 16 1 1 A 97 97 VAL HA H 97 4.917 4.903 0.014 1
1 1098 . 16 1 1 A 97 97 VAL CB C 97 35.185 36.064 -0.879 1
1 1108 . 16 1 1 A 97 97 VAL C C 97 173.801 173.691 0.110 1
1 1109 . 16 1 1 A 98 98 ARG N N 98 125.203 122.809 2.394 1
1 1110 . 16 1 1 A 98 98 ARG H H 98 8.826 8.886 -0.060 1
1 1111 . 16 1 1 A 98 98 ARG CA C 98 56.337 55.173 1.164 1
1 1112 . 16 1 1 A 98 98 ARG HA H 98 4.610 4.928 -0.318 1
1 1113 . 16 1 1 A 98 98 ARG CB C 98 32.031 31.794 0.237 1
1 1119 . 16 1 1 A 98 98 ARG C C 98 174.438 174.943 -0.505 1
1 1123 . 16 1 1 A 99 99 VAL N N 99 127.382 124.963 2.419 1
1 1124 . 16 1 1 A 99 99 VAL H H 99 8.144 8.817 -0.673 1
1 1125 . 16 1 1 A 99 99 VAL CA C 99 61.216 62.115 -0.899 1
1 1126 . 16 1 1 A 99 99 VAL HA H 99 4.115 4.670 -0.555 1
1 1127 . 16 1 1 A 99 99 VAL CB C 99 32.590 32.789 -0.199 1
1 1137 . 16 1 1 A 99 99 VAL C C 99 176.994 175.029 1.965 1
1 1138 . 16 1 1 A 100 100 GLY N N 100 117.424 113.607 3.817 1
1 1139 . 16 1 1 A 100 100 GLY H H 100 8.682 8.191 0.491 1
1 1140 . 16 1 1 A 100 100 GLY CA C 100 44.650 45.738 -1.088 1
1 1141 . 16 1 1 A 100 100 GLY HA3 H 100 4.386 4.166 0.220 1
1 1142 . 16 1 1 A 100 100 GLY C C 100 173.180 172.027 1.153 1
1 1143 . 16 1 1 A 100 100 GLY HA2 H 100 3.954 4.166 -0.212 1
1 1144 . 16 1 1 A 101 101 GLU N N 101 119.495 121.050 -1.555 1
1 1145 . 16 1 1 A 101 101 GLU H H 101 8.383 8.498 -0.115 1
1 1146 . 16 1 1 A 101 101 GLU CA C 101 54.168 54.367 -0.199 1
1 1147 . 16 1 1 A 101 101 GLU HA H 101 4.661 4.619 0.042 1
1 1148 . 16 1 1 A 101 101 GLU CB C 101 29.836 31.322 -1.486 1
1 1152 . 16 1 1 A 101 101 GLU C C 101 175.458 176.374 -0.916 1
1 1155 . 16 1 1 A 102 102 PRO CA C 102 63.897 63.639 0.258 1
1 1156 . 16 1 1 A 102 102 PRO HA H 102 4.361 4.411 -0.050 1
1 1157 . 16 1 1 A 102 102 PRO CB C 102 31.946 32.163 -0.217 1
1 1163 . 16 1 1 A 102 102 PRO C C 102 177.509 177.452 0.057 1
1 1167 . 16 1 1 A 103 103 GLY N N 103 109.378 111.156 -1.778 1
1 1168 . 16 1 1 A 103 103 GLY H H 103 8.552 8.245 0.307 1
1 1169 . 16 1 1 A 103 103 GLY CA C 103 45.263 44.640 0.623 1
1 1170 . 16 1 1 A 103 103 GLY HA3 H 103 3.962 4.008 -0.046 1
1 1171 . 16 1 1 A 103 103 GLY C C 103 174.277 172.953 1.324 1
1 1172 . 16 1 1 A 103 103 GLY HA2 H 103 3.962 4.008 -0.046 1
1 1173 . 16 1 1 A 104 104 GLN N N 104 119.735 120.345 -0.610 1
1 1174 . 16 1 1 A 104 104 GLN H H 104 8.096 8.396 -0.300 1
1 1175 . 16 1 1 A 104 104 GLN CA C 104 55.924 54.599 1.325 1
1 1176 . 16 1 1 A 104 104 GLN HA H 104 4.339 4.998 -0.659 1
1 1177 . 16 1 1 A 104 104 GLN CB C 104 29.622 31.093 -1.471 1
1 1184 . 16 1 1 A 104 104 GLN C C 104 175.669 174.745 0.924 1
1 1187 . 16 1 1 A 105 105 ALA N N 105 125.603 129.725 -4.122 1
1 1188 . 16 1 1 A 105 105 ALA H H 105 8.389 8.990 -0.601 1
1 1189 . 16 1 1 A 105 105 ALA CA C 105 52.416 51.022 1.394 1
1 1190 . 16 1 1 A 105 105 ALA HA H 105 4.385 4.984 -0.599 1
1 1191 . 16 1 1 A 105 105 ALA CB C 105 19.608 20.370 -0.762 1
1 1195 . 16 1 1 A 105 105 ALA C C 105 176.971 177.328 -0.357 1
1 1 . 17 1 1 A 8 8 SER CA C 8 59.066 58.681 0.385 1
1 2 . 17 1 1 A 8 8 SER HA H 8 4.444 4.375 0.069 1
1 3 . 17 1 1 A 8 8 SER CB C 8 63.749 63.260 0.489 1
1 5 . 17 1 1 A 8 8 SER C C 8 174.832 174.341 0.491 1
1 7 . 17 1 1 A 9 9 ASP N N 9 122.244 125.814 -3.570 1
1 8 . 17 1 1 A 9 9 ASP H H 9 8.460 8.898 -0.438 1
1 9 . 17 1 1 A 9 9 ASP CA C 9 54.943 53.131 1.812 1
1 10 . 17 1 1 A 9 9 ASP HA H 9 4.730 5.108 -0.378 1
1 11 . 17 1 1 A 9 9 ASP CB C 9 41.125 43.059 -1.934 1
1 13 . 17 1 1 A 9 9 ASP C C 9 176.845 175.733 1.112 1
1 15 . 17 1 1 A 10 10 ASP N N 10 120.929 121.661 -0.732 1
1 16 . 17 1 1 A 10 10 ASP H H 10 8.121 9.051 -0.930 1
1 17 . 17 1 1 A 10 10 ASP CA C 10 55.841 53.515 2.326 1
1 18 . 17 1 1 A 10 10 ASP HA H 10 4.523 5.016 -0.493 1
1 19 . 17 1 1 A 10 10 ASP CB C 10 41.834 41.053 0.781 1
1 21 . 17 1 1 A 10 10 ASP C C 10 177.047 176.424 0.623 1
1 23 . 17 1 1 A 11 11 ALA N N 11 122.815 122.146 0.669 1
1 24 . 17 1 1 A 11 11 ALA H H 11 8.520 8.183 0.337 1
1 25 . 17 1 1 A 11 11 ALA CA C 11 54.828 54.678 0.150 1
1 26 . 17 1 1 A 11 11 ALA HA H 11 4.004 3.918 0.086 1
1 27 . 17 1 1 A 11 11 ALA CB C 11 19.454 18.637 0.817 1
1 31 . 17 1 1 A 11 11 ALA C C 11 179.280 178.789 0.491 1
1 32 . 17 1 1 A 12 12 ARG N N 12 115.782 115.496 0.286 1
1 33 . 17 1 1 A 12 12 ARG H H 12 8.159 8.248 -0.089 1
1 34 . 17 1 1 A 12 12 ARG CA C 12 57.578 57.451 0.127 1
1 35 . 17 1 1 A 12 12 ARG HA H 12 4.310 4.178 0.132 1
1 36 . 17 1 1 A 12 12 ARG CB C 12 29.817 29.811 0.006 1
1 42 . 17 1 1 A 12 12 ARG C C 12 176.412 176.389 0.023 1
1 46 . 17 1 1 A 13 13 ARG N N 13 117.438 118.529 -1.091 1
1 47 . 17 1 1 A 13 13 ARG H H 13 7.858 7.378 0.480 1
1 48 . 17 1 1 A 13 13 ARG CA C 13 56.855 55.314 1.541 1
1 49 . 17 1 1 A 13 13 ARG HA H 13 4.183 4.425 -0.242 1
1 50 . 17 1 1 A 13 13 ARG CB C 13 30.976 29.880 1.096 1
1 56 . 17 1 1 A 13 13 ARG C C 13 176.451 174.106 2.345 1
1 60 . 17 1 1 A 14 14 LEU N N 14 121.077 121.619 -0.542 1
1 61 . 17 1 1 A 14 14 LEU H H 14 6.925 7.536 -0.611 1
1 62 . 17 1 1 A 14 14 LEU CA C 14 56.582 53.400 3.182 1
1 63 . 17 1 1 A 14 14 LEU HA H 14 4.394 5.002 -0.608 1
1 64 . 17 1 1 A 14 14 LEU CB C 14 42.968 45.650 -2.682 1
1 76 . 17 1 1 A 14 14 LEU C C 14 177.296 175.473 1.823 1
1 78 . 17 1 1 A 15 15 THR N N 15 115.028 120.322 -5.294 1
1 79 . 17 1 1 A 15 15 THR H H 15 8.716 8.499 0.217 1
1 80 . 17 1 1 A 15 15 THR CA C 15 61.169 61.804 -0.635 1
1 81 . 17 1 1 A 15 15 THR HA H 15 4.667 4.874 -0.207 1
1 82 . 17 1 1 A 15 15 THR CB C 15 71.348 70.483 0.865 1
1 88 . 17 1 1 A 15 15 THR C C 15 173.454 173.936 -0.482 1
1 89 . 17 1 1 A 16 16 VAL N N 16 126.736 125.867 0.869 1
1 90 . 17 1 1 A 16 16 VAL H H 16 8.727 8.799 -0.072 1
1 91 . 17 1 1 A 16 16 VAL CA C 16 62.600 61.262 1.338 1
1 92 . 17 1 1 A 16 16 VAL HA H 16 4.539 4.511 0.028 1
1 93 . 17 1 1 A 16 16 VAL CB C 16 32.521 32.951 -0.430 1
1 103 . 17 1 1 A 16 16 VAL C C 16 175.348 174.989 0.359 1
1 104 . 17 1 1 A 17 17 MET N N 17 126.444 124.842 1.602 1
1 105 . 17 1 1 A 17 17 MET H H 17 9.255 8.663 0.592 1
1 106 . 17 1 1 A 17 17 MET CA C 17 54.872 54.005 0.867 1
1 107 . 17 1 1 A 17 17 MET HA H 17 4.806 4.909 -0.103 1
1 108 . 17 1 1 A 17 17 MET CB C 17 35.443 35.955 -0.512 1
1 116 . 17 1 1 A 17 17 MET C C 17 174.681 176.207 -1.526 1
1 119 . 17 1 1 A 18 18 SER N N 18 112.443 117.708 -5.265 1
1 120 . 17 1 1 A 18 18 SER H H 18 8.568 8.968 -0.400 1
1 121 . 17 1 1 A 18 18 SER CA C 18 58.711 59.086 -0.375 1
1 122 . 17 1 1 A 18 18 SER HA H 18 4.018 4.077 -0.059 1
1 123 . 17 1 1 A 18 18 SER CB C 18 62.009 61.708 0.301 1
1 125 . 17 1 1 A 18 18 SER C C 18 173.373 173.824 -0.451 1
1 127 . 17 1 1 A 19 19 LEU N N 19 122.011 121.378 0.633 1
1 128 . 17 1 1 A 19 19 LEU H H 19 7.996 7.719 0.277 1
1 129 . 17 1 1 A 19 19 LEU CA C 19 54.978 53.714 1.264 1
1 130 . 17 1 1 A 19 19 LEU HA H 19 4.283 4.822 -0.539 1
1 131 . 17 1 1 A 19 19 LEU CB C 19 41.955 45.160 -3.205 1
1 143 . 17 1 1 A 19 19 LEU C C 19 176.135 174.703 1.432 1
1 145 . 17 1 1 A 20 20 GLN N N 20 127.739 125.853 1.886 1
1 146 . 17 1 1 A 20 20 GLN H H 20 8.669 8.696 -0.027 1
1 147 . 17 1 1 A 20 20 GLN CA C 20 55.617 54.858 0.759 1
1 148 . 17 1 1 A 20 20 GLN HA H 20 4.400 4.935 -0.535 1
1 149 . 17 1 1 A 20 20 GLN CB C 20 29.298 30.843 -1.545 1
1 156 . 17 1 1 A 20 20 GLN C C 20 175.033 174.991 0.042 1
1 159 . 17 1 1 A 21 21 GLU N N 21 121.152 122.938 -1.786 1
1 160 . 17 1 1 A 21 21 GLU H H 21 8.546 9.215 -0.669 1
1 161 . 17 1 1 A 21 21 GLU CA C 21 57.598 57.501 0.097 1
1 162 . 17 1 1 A 21 21 GLU HA H 21 4.310 4.565 -0.255 1
1 163 . 17 1 1 A 21 21 GLU CB C 21 30.764 31.625 -0.861 1
1 167 . 17 1 1 A 21 21 GLU C C 21 176.581 177.750 -1.169 1
1 170 . 17 1 1 A 22 22 SER N N 22 113.328 109.381 3.947 1
1 171 . 17 1 1 A 22 22 SER H H 22 8.018 8.062 -0.044 1
1 172 . 17 1 1 A 22 22 SER CA C 22 57.682 56.845 0.837 1
1 173 . 17 1 1 A 22 22 SER HA H 22 4.997 4.805 0.192 1
1 174 . 17 1 1 A 22 22 SER CB C 22 64.489 64.019 0.470 1
1 176 . 17 1 1 A 22 22 SER C C 22 174.062 174.097 -0.035 1
1 178 . 17 1 1 A 23 23 GLY N N 23 109.317 109.611 -0.294 1
1 179 . 17 1 1 A 23 23 GLY H H 23 8.828 7.914 0.914 1
1 180 . 17 1 1 A 23 23 GLY CA C 23 45.609 45.869 -0.260 1
1 181 . 17 1 1 A 23 23 GLY HA3 H 23 4.116 4.139 -0.023 1
1 182 . 17 1 1 A 23 23 GLY C C 23 174.629 172.431 2.198 1
1 183 . 17 1 1 A 23 23 GLY HA2 H 23 3.832 4.136 -0.304 1
1 184 . 17 1 1 A 24 24 LEU N N 24 120.545 124.467 -3.922 1
1 185 . 17 1 1 A 24 24 LEU H H 24 7.559 8.526 -0.967 1
1 186 . 17 1 1 A 24 24 LEU CA C 24 55.569 53.122 2.447 1
1 187 . 17 1 1 A 24 24 LEU HA H 24 4.310 4.910 -0.600 1
1 188 . 17 1 1 A 24 24 LEU CB C 24 42.978 43.918 -0.940 1
1 200 . 17 1 1 A 24 24 LEU C C 24 176.704 175.992 0.712 1
1 202 . 17 1 1 A 25 25 LYS N N 25 122.188 119.470 2.718 1
1 203 . 17 1 1 A 25 25 LYS H H 25 8.828 8.475 0.353 1
1 204 . 17 1 1 A 25 25 LYS CA C 25 54.686 54.742 -0.056 1
1 205 . 17 1 1 A 25 25 LYS HA H 25 4.676 4.924 -0.248 1
1 206 . 17 1 1 A 25 25 LYS CB C 25 35.736 35.113 0.623 1
1 214 . 17 1 1 A 25 25 LYS C C 25 175.885 176.285 -0.400 1
1 219 . 17 1 1 A 26 26 VAL N N 26 121.689 125.361 -3.672 1
1 220 . 17 1 1 A 26 26 VAL H H 26 8.503 8.623 -0.120 1
1 221 . 17 1 1 A 26 26 VAL CA C 26 64.069 62.522 1.547 1
1 222 . 17 1 1 A 26 26 VAL HA H 26 3.218 4.036 -0.818 1
1 223 . 17 1 1 A 26 26 VAL CB C 26 31.636 31.927 -0.291 1
1 233 . 17 1 1 A 26 26 VAL C C 26 175.837 175.783 0.054 1
1 234 . 17 1 1 A 27 27 ASN N N 27 116.772 118.635 -1.863 1
1 235 . 17 1 1 A 27 27 ASN H H 27 8.682 9.027 -0.345 1
1 236 . 17 1 1 A 27 27 ASN CA C 27 55.183 54.320 0.863 1
1 237 . 17 1 1 A 27 27 ASN HA H 27 4.138 4.289 -0.151 1
1 238 . 17 1 1 A 27 27 ASN CB C 27 37.242 37.215 0.027 1
1 243 . 17 1 1 A 27 27 ASN C C 27 173.308 173.850 -0.542 1
1 245 . 17 1 1 A 28 28 GLN N N 28 118.793 116.867 1.926 1
1 246 . 17 1 1 A 28 28 GLN H H 28 7.544 7.639 -0.095 1
1 247 . 17 1 1 A 28 28 GLN CA C 28 52.212 52.394 -0.182 1
1 248 . 17 1 1 A 28 28 GLN HA H 28 4.893 4.709 0.184 1
1 249 . 17 1 1 A 28 28 GLN CB C 28 30.060 31.169 -1.109 1
1 256 . 17 1 1 A 28 28 GLN C C 28 173.078 173.321 -0.243 1
1 259 . 17 1 1 A 29 29 PRO CA C 29 63.563 62.861 0.702 1
1 260 . 17 1 1 A 29 29 PRO HA H 29 4.294 4.596 -0.302 1
1 261 . 17 1 1 A 29 29 PRO CB C 29 31.874 31.629 0.245 1
1 267 . 17 1 1 A 29 29 PRO C C 29 175.250 175.735 -0.485 1
1 271 . 17 1 1 A 30 30 ALA N N 30 128.803 126.699 2.104 1
1 272 . 17 1 1 A 30 30 ALA H H 30 8.887 8.099 0.788 1
1 273 . 17 1 1 A 30 30 ALA CA C 30 50.558 50.520 0.038 1
1 274 . 17 1 1 A 30 30 ALA HA H 30 4.539 4.850 -0.311 1
1 275 . 17 1 1 A 30 30 ALA CB C 30 21.602 20.980 0.622 1
1 279 . 17 1 1 A 30 30 ALA C C 30 175.510 175.714 -0.204 1
1 280 . 17 1 1 A 31 31 SER N N 31 112.512 116.810 -4.298 1
1 281 . 17 1 1 A 31 31 SER H H 31 8.214 8.897 -0.683 1
1 282 . 17 1 1 A 31 31 SER CA C 31 56.701 55.922 0.779 1
1 283 . 17 1 1 A 31 31 SER HA H 31 5.832 5.725 0.107 1
1 284 . 17 1 1 A 31 31 SER CB C 31 66.721 66.074 0.647 1
1 286 . 17 1 1 A 31 31 SER C C 31 173.379 173.957 -0.578 1
1 288 . 17 1 1 A 32 32 PHE N N 32 119.232 118.467 0.765 1
1 289 . 17 1 1 A 32 32 PHE H H 32 8.798 8.233 0.565 1
1 290 . 17 1 1 A 32 32 PHE CA C 32 56.218 55.339 0.879 1
1 291 . 17 1 1 A 32 32 PHE HA H 32 4.925 5.752 -0.827 1
1 292 . 17 1 1 A 32 32 PHE CB C 32 39.752 42.016 -2.264 1
1 304 . 17 1 1 A 32 32 PHE C C 32 172.709 173.125 -0.416 1
1 306 . 17 1 1 A 33 33 ALA N N 33 122.788 122.105 0.683 1
1 307 . 17 1 1 A 33 33 ALA H H 33 8.827 9.014 -0.187 1
1 308 . 17 1 1 A 33 33 ALA CA C 33 50.616 50.038 0.578 1
1 309 . 17 1 1 A 33 33 ALA HA H 33 5.654 5.526 0.128 1
1 310 . 17 1 1 A 33 33 ALA CB C 33 22.616 22.822 -0.206 1
1 314 . 17 1 1 A 33 33 ALA C C 33 175.770 175.964 -0.194 1
1 315 . 17 1 1 A 34 34 ILE N N 34 118.542 120.801 -2.259 1
1 316 . 17 1 1 A 34 34 ILE H H 34 9.194 9.112 0.082 1
1 317 . 17 1 1 A 34 34 ILE CA C 34 59.486 59.524 -0.038 1
1 318 . 17 1 1 A 34 34 ILE HA H 34 4.978 4.898 0.080 1
1 319 . 17 1 1 A 34 34 ILE CB C 34 42.577 41.316 1.261 1
1 331 . 17 1 1 A 34 34 ILE C C 34 174.924 173.968 0.956 1
1 333 . 17 1 1 A 35 35 ARG N N 35 126.774 127.734 -0.960 1
1 334 . 17 1 1 A 35 35 ARG H H 35 9.038 9.489 -0.451 1
1 335 . 17 1 1 A 35 35 ARG CA C 35 54.096 54.509 -0.413 1
1 336 . 17 1 1 A 35 35 ARG HA H 35 5.283 5.315 -0.032 1
1 337 . 17 1 1 A 35 35 ARG CB C 35 32.039 32.785 -0.746 1
1 343 . 17 1 1 A 35 35 ARG C C 35 175.959 174.782 1.177 1
1 347 . 17 1 1 A 36 36 LEU N N 36 123.887 126.538 -2.651 1
1 348 . 17 1 1 A 36 36 LEU H H 36 8.648 8.662 -0.014 1
1 349 . 17 1 1 A 36 36 LEU CA C 36 56.318 53.273 3.045 1
1 350 . 17 1 1 A 36 36 LEU HA H 36 4.037 4.873 -0.836 1
1 351 . 17 1 1 A 36 36 LEU CB C 36 41.028 43.910 -2.882 1
1 363 . 17 1 1 A 36 36 LEU C C 36 177.292 176.348 0.944 1
1 365 . 17 1 1 A 37 37 ASN N N 37 115.087 122.634 -7.547 1
1 366 . 17 1 1 A 37 37 ASN H H 37 8.594 8.505 0.089 1
1 367 . 17 1 1 A 37 37 ASN CA C 37 54.182 53.096 1.086 1
1 368 . 17 1 1 A 37 37 ASN HA H 37 4.407 4.863 -0.456 1
1 369 . 17 1 1 A 37 37 ASN CB C 37 37.687 38.781 -1.094 1
1 374 . 17 1 1 A 37 37 ASN C C 37 176.277 175.695 0.582 1
1 376 . 17 1 1 A 38 38 GLY N N 38 106.329 107.642 -1.313 1
1 377 . 17 1 1 A 38 38 GLY H H 38 9.506 7.892 1.614 1
1 378 . 17 1 1 A 38 38 GLY CA C 38 45.290 45.515 -0.225 1
1 379 . 17 1 1 A 38 38 GLY HA3 H 38 4.156 4.030 0.126 1
1 380 . 17 1 1 A 38 38 GLY C C 38 174.483 174.368 0.115 1
1 381 . 17 1 1 A 38 38 GLY HA2 H 38 3.617 4.015 -0.398 1
1 382 . 17 1 1 A 39 39 ALA N N 39 124.015 123.431 0.584 1
1 383 . 17 1 1 A 39 39 ALA H H 39 7.483 7.929 -0.446 1
1 384 . 17 1 1 A 39 39 ALA CA C 39 52.396 51.420 0.976 1
1 385 . 17 1 1 A 39 39 ALA HA H 39 4.280 4.395 -0.115 1
1 386 . 17 1 1 A 39 39 ALA CB C 39 20.424 19.933 0.491 1
1 390 . 17 1 1 A 39 39 ALA C C 39 176.275 177.663 -1.388 1
1 391 . 17 1 1 A 40 40 LYS N N 40 119.513 120.249 -0.736 1
1 392 . 17 1 1 A 40 40 LYS H H 40 8.685 8.911 -0.226 1
1 393 . 17 1 1 A 40 40 LYS CA C 40 54.696 55.097 -0.401 1
1 394 . 17 1 1 A 40 40 LYS HA H 40 4.811 5.166 -0.355 1
1 395 . 17 1 1 A 40 40 LYS CB C 40 34.324 35.558 -1.234 1
1 403 . 17 1 1 A 40 40 LYS C C 40 176.004 175.589 0.415 1
1 408 . 17 1 1 A 41 41 GLY N N 41 111.941 107.432 4.509 1
1 409 . 17 1 1 A 41 41 GLY H H 41 8.398 8.281 0.117 1
1 410 . 17 1 1 A 41 41 GLY CA C 41 45.887 45.757 0.130 1
1 411 . 17 1 1 A 41 41 GLY HA3 H 41 3.722 4.107 -0.385 1
1 412 . 17 1 1 A 41 41 GLY C C 41 171.021 171.755 -0.734 1
1 413 . 17 1 1 A 41 41 GLY HA2 H 41 3.722 3.817 -0.095 1
1 414 . 17 1 1 A 42 42 LYS N N 42 119.600 121.863 -2.263 1
1 415 . 17 1 1 A 42 42 LYS H H 42 7.293 7.342 -0.049 1
1 416 . 17 1 1 A 42 42 LYS CA C 42 54.522 54.765 -0.243 1
1 417 . 17 1 1 A 42 42 LYS HA H 42 4.467 4.766 -0.299 1
1 418 . 17 1 1 A 42 42 LYS CB C 42 34.979 34.746 0.233 1
1 426 . 17 1 1 A 42 42 LYS C C 42 175.675 175.159 0.516 1
1 431 . 17 1 1 A 43 43 ILE N N 43 127.421 126.160 1.261 1
1 432 . 17 1 1 A 43 43 ILE H H 43 8.706 8.719 -0.013 1
1 433 . 17 1 1 A 43 43 ILE CA C 43 60.336 60.462 -0.126 1
1 434 . 17 1 1 A 43 43 ILE HA H 43 4.695 4.447 0.248 1
1 435 . 17 1 1 A 43 43 ILE CB C 43 39.322 36.877 2.445 1
1 447 . 17 1 1 A 43 43 ILE C C 43 174.542 174.827 -0.285 1
1 449 . 17 1 1 A 44 44 ASP N N 44 127.995 127.207 0.788 1
1 450 . 17 1 1 A 44 44 ASP H H 44 8.861 8.566 0.295 1
1 451 . 17 1 1 A 44 44 ASP CA C 44 53.245 52.619 0.626 1
1 452 . 17 1 1 A 44 44 ASP HA H 44 4.817 5.371 -0.554 1
1 453 . 17 1 1 A 44 44 ASP CB C 44 44.577 43.404 1.173 1
1 455 . 17 1 1 A 44 44 ASP C C 44 173.768 174.758 -0.990 1
1 457 . 17 1 1 A 45 45 ALA N N 45 127.601 126.761 0.840 1
1 458 . 17 1 1 A 45 45 ALA H H 45 8.819 8.999 -0.180 1
1 459 . 17 1 1 A 45 45 ALA CA C 45 50.180 50.296 -0.116 1
1 460 . 17 1 1 A 45 45 ALA HA H 45 5.859 5.414 0.445 1
1 461 . 17 1 1 A 45 45 ALA CB C 45 21.379 21.935 -0.556 1
1 465 . 17 1 1 A 45 45 ALA C C 45 175.393 176.178 -0.785 1
1 466 . 17 1 1 A 46 46 LYS N N 46 122.427 122.178 0.249 1
1 467 . 17 1 1 A 46 46 LYS H H 46 8.723 8.536 0.187 1
1 468 . 17 1 1 A 46 46 LYS CA C 46 55.090 54.746 0.344 1
1 469 . 17 1 1 A 46 46 LYS HA H 46 5.057 4.843 0.214 1
1 470 . 17 1 1 A 46 46 LYS CB C 46 37.534 36.429 1.105 1
1 478 . 17 1 1 A 46 46 LYS C C 46 173.473 174.647 -1.174 1
1 483 . 17 1 1 A 47 47 VAL N N 47 120.177 123.676 -3.499 1
1 484 . 17 1 1 A 47 47 VAL H H 47 8.989 8.700 0.289 1
1 485 . 17 1 1 A 47 47 VAL CA C 47 59.152 60.764 -1.612 1
1 486 . 17 1 1 A 47 47 VAL HA H 47 4.875 4.641 0.234 1
1 487 . 17 1 1 A 47 47 VAL CB C 47 34.502 33.436 1.066 1
1 497 . 17 1 1 A 47 47 VAL C C 47 173.786 174.120 -0.334 1
1 498 . 17 1 1 A 48 48 HIS N N 48 127.949 126.739 1.210 1
1 499 . 17 1 1 A 48 48 HIS H H 48 9.661 9.323 0.338 1
1 500 . 17 1 1 A 48 48 HIS CA C 48 53.917 54.264 -0.347 1
1 501 . 17 1 1 A 48 48 HIS HA H 48 5.238 5.353 -0.115 1
1 502 . 17 1 1 A 48 48 HIS CB C 48 30.549 33.000 -2.451 1
1 508 . 17 1 1 A 48 48 HIS C C 48 175.556 174.589 0.967 1
1 510 . 17 1 1 A 49 49 SER N N 49 121.639 115.826 5.813 1
1 511 . 17 1 1 A 49 49 SER H H 49 9.114 8.472 0.642 1
1 512 . 17 1 1 A 49 49 SER CA C 49 56.693 55.437 1.256 1
1 513 . 17 1 1 A 49 49 SER HA H 49 4.391 4.884 -0.493 1
1 514 . 17 1 1 A 49 49 SER CB C 49 63.160 65.499 -2.339 1
1 516 . 17 1 1 A 49 49 SER C C 49 174.390 174.714 -0.324 1
1 518 . 17 1 1 A 50 50 PRO CA C 50 65.732 64.141 1.591 1
1 519 . 17 1 1 A 50 50 PRO HA H 50 4.247 4.496 -0.249 1
1 520 . 17 1 1 A 50 50 PRO CB C 50 31.516 31.614 -0.098 1
1 526 . 17 1 1 A 50 50 PRO C C 50 177.969 177.212 0.757 1
1 530 . 17 1 1 A 51 51 SER N N 51 110.808 112.569 -1.761 1
1 531 . 17 1 1 A 51 51 SER H H 51 8.539 7.825 0.714 1
1 532 . 17 1 1 A 51 51 SER CA C 51 59.311 57.856 1.455 1
1 533 . 17 1 1 A 51 51 SER HA H 51 4.331 4.656 -0.325 1
1 534 . 17 1 1 A 51 51 SER CB C 51 62.767 63.364 -0.597 1
1 536 . 17 1 1 A 51 51 SER C C 51 175.339 174.466 0.873 1
1 538 . 17 1 1 A 52 52 GLY N N 52 110.692 110.367 0.325 1
1 539 . 17 1 1 A 52 52 GLY H H 52 8.181 7.878 0.303 1
1 540 . 17 1 1 A 52 52 GLY CA C 52 44.862 46.250 -1.388 1
1 541 . 17 1 1 A 52 52 GLY HA3 H 52 4.444 4.008 0.436 1
1 542 . 17 1 1 A 52 52 GLY C C 52 174.389 174.443 -0.054 1
1 543 . 17 1 1 A 52 52 GLY HA2 H 52 3.634 3.990 -0.356 1
1 544 . 17 1 1 A 53 53 ALA N N 53 124.417 122.861 1.556 1
1 545 . 17 1 1 A 53 53 ALA H H 53 7.419 7.830 -0.411 1
1 546 . 17 1 1 A 53 53 ALA CA C 53 52.538 50.716 1.822 1
1 547 . 17 1 1 A 53 53 ALA HA H 53 4.373 4.714 -0.341 1
1 548 . 17 1 1 A 53 53 ALA CB C 53 19.207 22.213 -3.006 1
1 552 . 17 1 1 A 53 53 ALA C C 53 176.519 175.788 0.731 1
1 553 . 17 1 1 A 54 54 VAL N N 54 121.228 121.394 -0.166 1
1 554 . 17 1 1 A 54 54 VAL H H 54 8.429 8.928 -0.499 1
1 555 . 17 1 1 A 54 54 VAL CA C 54 60.672 61.230 -0.558 1
1 556 . 17 1 1 A 54 54 VAL HA H 54 4.980 4.381 0.599 1
1 557 . 17 1 1 A 54 54 VAL CB C 54 33.933 34.207 -0.274 1
1 567 . 17 1 1 A 54 54 VAL C C 54 175.443 174.838 0.605 1
1 568 . 17 1 1 A 55 55 GLU N N 55 126.290 127.097 -0.807 1
1 569 . 17 1 1 A 55 55 GLU H H 55 8.640 8.696 -0.056 1
1 570 . 17 1 1 A 55 55 GLU CA C 55 54.306 54.713 -0.407 1
1 571 . 17 1 1 A 55 55 GLU HA H 55 4.754 4.897 -0.143 1
1 572 . 17 1 1 A 55 55 GLU CB C 55 33.612 31.915 1.697 1
1 576 . 17 1 1 A 55 55 GLU C C 55 175.073 175.087 -0.014 1
1 579 . 17 1 1 A 56 56 GLU N N 56 123.200 122.065 1.135 1
1 580 . 17 1 1 A 56 56 GLU H H 56 8.878 8.717 0.161 1
1 581 . 17 1 1 A 56 56 GLU CA C 56 56.966 54.785 2.181 1
1 582 . 17 1 1 A 56 56 GLU HA H 56 4.479 5.132 -0.653 1
1 583 . 17 1 1 A 56 56 GLU CB C 56 30.258 33.117 -2.859 1
1 587 . 17 1 1 A 56 56 GLU C C 56 177.592 175.087 2.505 1
1 590 . 17 1 1 A 57 57 CYS N N 57 121.919 125.320 -3.401 1
1 591 . 17 1 1 A 57 57 CYS H H 57 8.496 8.686 -0.190 1
1 592 . 17 1 1 A 57 57 CYS CA C 57 59.030 57.518 1.512 1
1 593 . 17 1 1 A 57 57 CYS HA H 57 4.690 5.189 -0.499 1
1 594 . 17 1 1 A 57 57 CYS CB C 57 29.620 28.724 0.896 1
1 596 . 17 1 1 A 57 57 CYS C C 57 173.871 174.252 -0.381 1
1 598 . 17 1 1 A 58 58 HIS N N 58 123.415 125.095 -1.680 1
1 599 . 17 1 1 A 58 58 HIS H H 58 8.961 8.662 0.299 1
1 600 . 17 1 1 A 58 58 HIS CA C 58 56.751 56.951 -0.200 1
1 601 . 17 1 1 A 58 58 HIS HA H 58 4.725 4.549 0.176 1
1 602 . 17 1 1 A 58 58 HIS CB C 58 31.813 29.963 1.850 1
1 608 . 17 1 1 A 58 58 HIS C C 58 174.903 173.647 1.256 1
1 610 . 17 1 1 A 59 59 VAL N N 59 128.900 129.486 -0.586 1
1 611 . 17 1 1 A 59 59 VAL H H 59 8.521 8.853 -0.332 1
1 612 . 17 1 1 A 59 59 VAL CA C 59 61.131 61.019 0.112 1
1 613 . 17 1 1 A 59 59 VAL HA H 59 5.142 4.788 0.354 1
1 614 . 17 1 1 A 59 59 VAL CB C 59 33.825 33.025 0.800 1
1 624 . 17 1 1 A 59 59 VAL C C 59 175.539 174.427 1.112 1
1 625 . 17 1 1 A 60 60 SER N N 60 120.428 122.859 -2.431 1
1 626 . 17 1 1 A 60 60 SER H H 60 8.995 8.549 0.446 1
1 627 . 17 1 1 A 60 60 SER CA C 60 56.782 56.047 0.735 1
1 628 . 17 1 1 A 60 60 SER HA H 60 4.823 5.060 -0.237 1
1 629 . 17 1 1 A 60 60 SER CB C 60 65.880 65.155 0.725 1
1 631 . 17 1 1 A 60 60 SER C C 60 172.353 172.670 -0.317 1
1 633 . 17 1 1 A 61 61 GLU N N 61 125.163 125.698 -0.535 1
1 634 . 17 1 1 A 61 61 GLU H H 61 8.894 8.702 0.192 1
1 635 . 17 1 1 A 61 61 GLU CA C 61 57.081 54.725 2.356 1
1 636 . 17 1 1 A 61 61 GLU HA H 61 3.545 3.948 -0.403 1
1 637 . 17 1 1 A 61 61 GLU CB C 61 30.675 29.134 1.541 1
1 641 . 17 1 1 A 61 61 GLU C C 61 176.353 175.838 0.515 1
1 644 . 17 1 1 A 62 62 LEU N N 62 129.563 128.468 1.095 1
1 645 . 17 1 1 A 62 62 LEU H H 62 8.800 8.623 0.177 1
1 646 . 17 1 1 A 62 62 LEU CA C 62 56.462 55.998 0.464 1
1 647 . 17 1 1 A 62 62 LEU HA H 62 4.341 4.334 0.007 1
1 648 . 17 1 1 A 62 62 LEU CB C 62 44.020 42.698 1.322 1
1 660 . 17 1 1 A 62 62 LEU C C 62 176.662 176.904 -0.242 1
1 662 . 17 1 1 A 63 63 GLU N N 63 117.143 117.922 -0.779 1
1 663 . 17 1 1 A 63 63 GLU H H 63 8.292 7.288 1.004 1
1 664 . 17 1 1 A 63 63 GLU CA C 63 53.777 52.950 0.827 1
1 665 . 17 1 1 A 63 63 GLU HA H 63 4.655 4.675 -0.020 1
1 666 . 17 1 1 A 63 63 GLU CB C 63 29.768 31.294 -1.526 1
1 670 . 17 1 1 A 63 63 GLU C C 63 172.058 176.129 -4.071 1
1 673 . 17 1 1 A 64 64 PRO CA C 64 65.767 64.234 1.533 1
1 674 . 17 1 1 A 64 64 PRO HA H 64 4.227 4.544 -0.317 1
1 675 . 17 1 1 A 64 64 PRO CB C 64 31.005 31.750 -0.745 1
1 681 . 17 1 1 A 64 64 PRO C C 64 177.068 176.931 0.137 1
1 685 . 17 1 1 A 65 65 ASP N N 65 118.425 116.336 2.089 1
1 686 . 17 1 1 A 65 65 ASP H H 65 8.965 8.586 0.379 1
1 687 . 17 1 1 A 65 65 ASP CA C 65 55.827 53.735 2.092 1
1 688 . 17 1 1 A 65 65 ASP HA H 65 4.589 4.896 -0.307 1
1 689 . 17 1 1 A 65 65 ASP CB C 65 43.713 42.197 1.516 1
1 691 . 17 1 1 A 65 65 ASP C C 65 174.921 175.432 -0.511 1
1 693 . 17 1 1 A 66 66 LYS N N 66 120.940 119.954 0.986 1
1 694 . 17 1 1 A 66 66 LYS H H 66 8.476 7.461 1.015 1
1 695 . 17 1 1 A 66 66 LYS CA C 66 55.938 55.683 0.255 1
1 696 . 17 1 1 A 66 66 LYS HA H 66 5.476 5.231 0.245 1
1 697 . 17 1 1 A 66 66 LYS CB C 66 36.812 36.176 0.636 1
1 705 . 17 1 1 A 66 66 LYS C C 66 173.912 174.180 -0.268 1
1 710 . 17 1 1 A 67 67 TYR N N 67 126.047 123.264 2.783 1
1 711 . 17 1 1 A 67 67 TYR H H 67 9.291 8.733 0.558 1
1 712 . 17 1 1 A 67 67 TYR CA C 67 56.589 56.561 0.028 1
1 713 . 17 1 1 A 67 67 TYR HA H 67 5.136 5.311 -0.175 1
1 714 . 17 1 1 A 67 67 TYR CB C 67 41.933 43.563 -1.630 1
1 724 . 17 1 1 A 67 67 TYR C C 67 174.424 174.524 -0.100 1
1 726 . 17 1 1 A 68 68 ALA N N 68 123.234 122.712 0.522 1
1 727 . 17 1 1 A 68 68 ALA H H 68 9.393 8.406 0.987 1
1 728 . 17 1 1 A 68 68 ALA CA C 68 50.620 50.246 0.374 1
1 729 . 17 1 1 A 68 68 ALA HA H 68 5.002 5.481 -0.479 1
1 730 . 17 1 1 A 68 68 ALA CB C 68 21.211 23.313 -2.102 1
1 734 . 17 1 1 A 68 68 ALA C C 68 176.258 175.587 0.671 1
1 735 . 17 1 1 A 69 69 VAL N N 69 121.910 119.917 1.993 1
1 736 . 17 1 1 A 69 69 VAL H H 69 8.412 8.461 -0.049 1
1 737 . 17 1 1 A 69 69 VAL CA C 69 61.147 60.927 0.220 1
1 738 . 17 1 1 A 69 69 VAL HA H 69 4.587 4.907 -0.320 1
1 739 . 17 1 1 A 69 69 VAL CB C 69 32.409 34.529 -2.120 1
1 749 . 17 1 1 A 69 69 VAL C C 69 174.300 173.700 0.600 1
1 750 . 17 1 1 A 70 70 ARG N N 70 125.218 129.292 -4.074 1
1 751 . 17 1 1 A 70 70 ARG H H 70 8.926 9.299 -0.373 1
1 752 . 17 1 1 A 70 70 ARG CA C 70 54.404 54.297 0.107 1
1 753 . 17 1 1 A 70 70 ARG HA H 70 5.665 5.176 0.489 1
1 754 . 17 1 1 A 70 70 ARG CB C 70 34.966 32.673 2.293 1
1 760 . 17 1 1 A 70 70 ARG C C 70 175.124 174.894 0.230 1
1 764 . 17 1 1 A 71 71 PHE N N 71 120.657 120.512 0.145 1
1 765 . 17 1 1 A 71 71 PHE H H 71 8.780 8.615 0.165 1
1 766 . 17 1 1 A 71 71 PHE CA C 71 55.969 56.325 -0.356 1
1 767 . 17 1 1 A 71 71 PHE HA H 71 5.082 5.076 0.006 1
1 768 . 17 1 1 A 71 71 PHE CB C 71 41.335 41.439 -0.104 1
1 780 . 17 1 1 A 71 71 PHE C C 71 171.920 172.080 -0.160 1
1 782 . 17 1 1 A 72 72 ILE N N 72 120.347 122.341 -1.994 1
1 783 . 17 1 1 A 72 72 ILE H H 72 8.714 8.956 -0.242 1
1 784 . 17 1 1 A 72 72 ILE CA C 72 57.669 58.160 -0.491 1
1 785 . 17 1 1 A 72 72 ILE HA H 72 4.469 4.548 -0.079 1
1 786 . 17 1 1 A 72 72 ILE CB C 72 39.824 38.715 1.109 1
1 798 . 17 1 1 A 72 72 ILE C C 72 173.612 175.408 -1.796 1
1 800 . 17 1 1 A 73 73 PRO CA C 73 62.050 62.310 -0.260 1
1 801 . 17 1 1 A 73 73 PRO HA H 73 4.493 4.819 -0.326 1
1 802 . 17 1 1 A 73 73 PRO CB C 73 33.680 29.099 4.581 1
1 808 . 17 1 1 A 73 73 PRO C C 73 176.990 175.441 1.549 1
1 812 . 17 1 1 A 74 74 HIS N N 74 119.655 117.619 2.036 1
1 813 . 17 1 1 A 74 74 HIS H H 74 10.240 8.556 1.684 1
1 814 . 17 1 1 A 74 74 HIS CA C 74 54.660 53.793 0.867 1
1 815 . 17 1 1 A 74 74 HIS HA H 74 5.035 5.670 -0.635 1
1 816 . 17 1 1 A 74 74 HIS CB C 74 30.530 31.659 -1.129 1
1 822 . 17 1 1 A 74 74 HIS C C 74 173.624 174.137 -0.513 1
1 824 . 17 1 1 A 75 75 GLU N N 75 118.178 123.009 -4.831 1
1 825 . 17 1 1 A 75 75 GLU H H 75 7.772 8.769 -0.997 1
1 826 . 17 1 1 A 75 75 GLU CA C 75 54.166 54.281 -0.115 1
1 827 . 17 1 1 A 75 75 GLU HA H 75 4.654 4.789 -0.135 1
1 828 . 17 1 1 A 75 75 GLU CB C 75 33.422 33.553 -0.131 1
1 832 . 17 1 1 A 75 75 GLU C C 75 173.599 175.420 -1.821 1
1 835 . 17 1 1 A 76 76 ASN N N 76 116.760 116.989 -0.229 1
1 836 . 17 1 1 A 76 76 ASN H H 76 8.530 8.455 0.075 1
1 837 . 17 1 1 A 76 76 ASN CA C 76 53.486 51.761 1.725 1
1 838 . 17 1 1 A 76 76 ASN HA H 76 4.606 5.128 -0.522 1
1 839 . 17 1 1 A 76 76 ASN CB C 76 40.184 39.270 0.914 1
1 844 . 17 1 1 A 76 76 ASN C C 76 175.598 175.155 0.443 1
1 846 . 17 1 1 A 77 77 GLY N N 77 106.497 108.374 -1.877 1
1 847 . 17 1 1 A 77 77 GLY H H 77 9.152 7.620 1.532 1
1 848 . 17 1 1 A 77 77 GLY CA C 77 43.752 46.190 -2.438 1
1 849 . 17 1 1 A 77 77 GLY HA3 H 77 4.797 4.137 0.660 1
1 850 . 17 1 1 A 77 77 GLY C C 77 176.329 172.139 4.190 1
1 851 . 17 1 1 A 77 77 GLY HA2 H 77 3.897 4.110 -0.213 1
1 852 . 17 1 1 A 78 78 VAL N N 78 124.582 122.281 2.301 1
1 853 . 17 1 1 A 78 78 VAL H H 78 9.334 8.346 0.988 1
1 854 . 17 1 1 A 78 78 VAL CA C 78 64.642 60.808 3.834 1
1 855 . 17 1 1 A 78 78 VAL HA H 78 4.399 4.902 -0.503 1
1 856 . 17 1 1 A 78 78 VAL CB C 78 31.464 34.136 -2.672 1
1 866 . 17 1 1 A 78 78 VAL C C 78 176.269 175.240 1.029 1
1 867 . 17 1 1 A 79 79 HIS N N 79 129.160 125.335 3.825 1
1 868 . 17 1 1 A 79 79 HIS H H 79 9.854 9.180 0.674 1
1 869 . 17 1 1 A 79 79 HIS CA C 79 55.150 55.681 -0.531 1
1 870 . 17 1 1 A 79 79 HIS HA H 79 4.921 5.512 -0.591 1
1 871 . 17 1 1 A 79 79 HIS CB C 79 30.772 32.165 -1.393 1
1 877 . 17 1 1 A 79 79 HIS C C 79 174.062 175.105 -1.043 1
1 879 . 17 1 1 A 80 80 THR N N 80 116.006 114.944 1.062 1
1 880 . 17 1 1 A 80 80 THR H H 80 8.526 8.816 -0.290 1
1 881 . 17 1 1 A 80 80 THR CA C 80 60.983 61.686 -0.703 1
1 882 . 17 1 1 A 80 80 THR HA H 80 5.380 5.338 0.042 1
1 883 . 17 1 1 A 80 80 THR CB C 80 70.590 71.517 -0.927 1
1 889 . 17 1 1 A 80 80 THR C C 80 173.671 173.554 0.117 1
1 890 . 17 1 1 A 81 81 ILE N N 81 127.414 128.478 -1.064 1
1 891 . 17 1 1 A 81 81 ILE H H 81 9.745 8.971 0.774 1
1 892 . 17 1 1 A 81 81 ILE CA C 81 60.037 61.010 -0.973 1
1 893 . 17 1 1 A 81 81 ILE HA H 81 4.867 4.388 0.479 1
1 894 . 17 1 1 A 81 81 ILE CB C 81 39.883 37.926 1.957 1
1 906 . 17 1 1 A 81 81 ILE C C 81 175.279 175.096 0.183 1
1 908 . 17 1 1 A 82 82 ASP N N 82 128.375 126.660 1.715 1
1 909 . 17 1 1 A 82 82 ASP H H 82 9.157 8.807 0.350 1
1 910 . 17 1 1 A 82 82 ASP CA C 82 53.084 52.854 0.230 1
1 911 . 17 1 1 A 82 82 ASP HA H 82 5.060 5.264 -0.204 1
1 912 . 17 1 1 A 82 82 ASP CB C 82 42.929 43.112 -0.183 1
1 914 . 17 1 1 A 82 82 ASP C C 82 175.923 174.525 1.398 1
1 916 . 17 1 1 A 83 83 VAL N N 83 125.651 125.708 -0.057 1
1 917 . 17 1 1 A 83 83 VAL H H 83 9.897 8.681 1.216 1
1 918 . 17 1 1 A 83 83 VAL CA C 83 62.407 61.411 0.996 1
1 919 . 17 1 1 A 83 83 VAL HA H 83 4.553 4.666 -0.113 1
1 920 . 17 1 1 A 83 83 VAL CB C 83 33.233 32.990 0.243 1
1 930 . 17 1 1 A 83 83 VAL C C 83 173.327 174.865 -1.538 1
1 931 . 17 1 1 A 84 84 LYS N N 84 124.405 127.234 -2.829 1
1 932 . 17 1 1 A 84 84 LYS H H 84 8.874 8.609 0.265 1
1 933 . 17 1 1 A 84 84 LYS CA C 84 53.901 54.792 -0.891 1
1 934 . 17 1 1 A 84 84 LYS HA H 84 5.065 4.864 0.201 1
1 935 . 17 1 1 A 84 84 LYS CB C 84 36.851 35.126 1.725 1
1 943 . 17 1 1 A 84 84 LYS C C 84 174.760 175.102 -0.342 1
1 948 . 17 1 1 A 85 85 PHE N N 85 120.871 124.117 -3.246 1
1 949 . 17 1 1 A 85 85 PHE H H 85 9.167 9.248 -0.081 1
1 950 . 17 1 1 A 85 85 PHE CA C 85 56.014 57.545 -1.531 1
1 951 . 17 1 1 A 85 85 PHE HA H 85 5.157 4.819 0.338 1
1 952 . 17 1 1 A 85 85 PHE CB C 85 42.916 42.074 0.842 1
1 964 . 17 1 1 A 85 85 PHE C C 85 175.473 174.836 0.637 1
1 966 . 17 1 1 A 86 86 ASN N N 86 126.732 125.364 1.368 1
1 967 . 17 1 1 A 86 86 ASN H H 86 8.714 9.157 -0.443 1
1 968 . 17 1 1 A 86 86 ASN CA C 86 53.835 54.234 -0.399 1
1 969 . 17 1 1 A 86 86 ASN HA H 86 4.216 4.300 -0.084 1
1 970 . 17 1 1 A 86 86 ASN CB C 86 36.789 37.450 -0.661 1
1 975 . 17 1 1 A 86 86 ASN C C 86 175.700 175.823 -0.123 1
1 977 . 17 1 1 A 87 87 GLY N N 87 102.449 104.413 -1.964 1
1 978 . 17 1 1 A 87 87 GLY H H 87 8.986 8.652 0.334 1
1 979 . 17 1 1 A 87 87 GLY CA C 87 45.490 46.559 -1.069 1
1 980 . 17 1 1 A 87 87 GLY HA3 H 87 4.223 3.946 0.277 1
1 981 . 17 1 1 A 87 87 GLY C C 87 174.149 173.554 0.595 1
1 982 . 17 1 1 A 87 87 GLY HA2 H 87 3.555 3.935 -0.380 1
1 983 . 17 1 1 A 88 88 SER N N 88 116.260 113.496 2.764 1
1 984 . 17 1 1 A 88 88 SER H H 88 7.670 7.769 -0.099 1
1 985 . 17 1 1 A 88 88 SER CA C 88 57.194 57.729 -0.535 1
1 986 . 17 1 1 A 88 88 SER HA H 88 4.935 4.819 0.116 1
1 987 . 17 1 1 A 88 88 SER CB C 88 65.421 66.360 -0.939 1
1 989 . 17 1 1 A 88 88 SER C C 88 173.491 173.439 0.052 1
1 991 . 17 1 1 A 89 89 HIS N N 89 124.290 125.370 -1.080 1
1 992 . 17 1 1 A 89 89 HIS H H 89 8.847 8.931 -0.084 1
1 993 . 17 1 1 A 89 89 HIS CA C 89 59.048 56.691 2.357 1
1 994 . 17 1 1 A 89 89 HIS HA H 89 4.543 4.777 -0.234 1
1 995 . 17 1 1 A 89 89 HIS CB C 89 32.463 29.828 2.635 1
1 1001 . 17 1 1 A 89 89 HIS C C 89 177.441 175.465 1.976 1
1 1003 . 17 1 1 A 90 90 VAL N N 90 116.253 122.328 -6.075 1
1 1004 . 17 1 1 A 90 90 VAL H H 90 8.283 8.098 0.185 1
1 1005 . 17 1 1 A 90 90 VAL CA C 90 60.279 62.284 -2.005 1
1 1006 . 17 1 1 A 90 90 VAL HA H 90 4.291 4.248 0.043 1
1 1007 . 17 1 1 A 90 90 VAL CB C 90 31.601 33.249 -1.648 1
1 1017 . 17 1 1 A 90 90 VAL C C 90 176.074 175.666 0.408 1
1 1018 . 17 1 1 A 91 91 VAL N N 91 123.139 119.287 3.852 1
1 1019 . 17 1 1 A 91 91 VAL H H 91 8.910 8.423 0.487 1
1 1020 . 17 1 1 A 91 91 VAL CA C 91 66.030 63.245 2.785 1
1 1021 . 17 1 1 A 91 91 VAL HA H 91 3.632 3.909 -0.277 1
1 1022 . 17 1 1 A 91 91 VAL CB C 91 30.897 31.513 -0.616 1
1 1032 . 17 1 1 A 91 91 VAL C C 91 177.012 176.171 0.841 1
1 1033 . 17 1 1 A 92 92 GLY N N 92 116.727 114.319 2.408 1
1 1034 . 17 1 1 A 92 92 GLY H H 92 8.396 8.789 -0.393 1
1 1035 . 17 1 1 A 92 92 GLY CA C 92 44.466 46.221 -1.755 1
1 1036 . 17 1 1 A 92 92 GLY HA3 H 92 4.180 3.648 0.532 1
1 1037 . 17 1 1 A 92 92 GLY C C 92 172.077 172.916 -0.839 1
1 1038 . 17 1 1 A 92 92 GLY HA2 H 92 3.221 3.639 -0.418 1
1 1039 . 17 1 1 A 93 93 SER N N 93 112.885 114.674 -1.789 1
1 1040 . 17 1 1 A 93 93 SER H H 93 7.484 7.513 -0.029 1
1 1041 . 17 1 1 A 93 93 SER CA C 93 54.547 54.615 -0.068 1
1 1042 . 17 1 1 A 93 93 SER HA H 93 4.065 4.298 -0.233 1
1 1043 . 17 1 1 A 93 93 SER CB C 93 62.575 65.882 -3.307 1
1 1045 . 17 1 1 A 93 93 SER C C 93 174.608 172.073 2.535 1
1 1047 . 17 1 1 A 94 94 PRO CA C 94 62.477 62.302 0.175 1
1 1048 . 17 1 1 A 94 94 PRO HA H 94 5.491 4.627 0.864 1
1 1049 . 17 1 1 A 94 94 PRO CB C 94 34.106 32.846 1.260 1
1 1055 . 17 1 1 A 94 94 PRO C C 94 176.779 175.042 1.737 1
1 1059 . 17 1 1 A 95 95 PHE N N 95 123.133 119.348 3.785 1
1 1060 . 17 1 1 A 95 95 PHE H H 95 9.200 8.255 0.945 1
1 1061 . 17 1 1 A 95 95 PHE CA C 95 57.291 56.825 0.466 1
1 1062 . 17 1 1 A 95 95 PHE HA H 95 4.581 5.046 -0.465 1
1 1063 . 17 1 1 A 95 95 PHE CB C 95 41.165 42.025 -0.860 1
1 1075 . 17 1 1 A 95 95 PHE C C 95 175.687 174.783 0.904 1
1 1077 . 17 1 1 A 96 96 LYS N N 96 122.134 119.282 2.852 1
1 1078 . 17 1 1 A 96 96 LYS H H 96 8.790 9.089 -0.299 1
1 1079 . 17 1 1 A 96 96 LYS CA C 96 55.249 54.700 0.549 1
1 1080 . 17 1 1 A 96 96 LYS HA H 96 5.276 5.218 0.058 1
1 1081 . 17 1 1 A 96 96 LYS CB C 96 33.836 35.353 -1.517 1
1 1089 . 17 1 1 A 96 96 LYS C C 96 176.515 175.662 0.853 1
1 1094 . 17 1 1 A 97 97 VAL N N 97 117.706 118.438 -0.732 1
1 1095 . 17 1 1 A 97 97 VAL H H 97 8.873 8.551 0.322 1
1 1096 . 17 1 1 A 97 97 VAL CA C 97 59.188 59.446 -0.258 1
1 1097 . 17 1 1 A 97 97 VAL HA H 97 4.917 5.091 -0.174 1
1 1098 . 17 1 1 A 97 97 VAL CB C 97 35.185 35.711 -0.526 1
1 1108 . 17 1 1 A 97 97 VAL C C 97 173.801 173.801 0.000 1
1 1109 . 17 1 1 A 98 98 ARG N N 98 125.203 125.143 0.060 1
1 1110 . 17 1 1 A 98 98 ARG H H 98 8.826 8.473 0.353 1
1 1111 . 17 1 1 A 98 98 ARG CA C 98 56.337 55.421 0.916 1
1 1112 . 17 1 1 A 98 98 ARG HA H 98 4.610 4.853 -0.243 1
1 1113 . 17 1 1 A 98 98 ARG CB C 98 32.031 31.643 0.388 1
1 1119 . 17 1 1 A 98 98 ARG C C 98 174.438 175.436 -0.998 1
1 1123 . 17 1 1 A 99 99 VAL N N 99 127.382 126.847 0.535 1
1 1124 . 17 1 1 A 99 99 VAL H H 99 8.144 8.808 -0.664 1
1 1125 . 17 1 1 A 99 99 VAL CA C 99 61.216 60.662 0.554 1
1 1126 . 17 1 1 A 99 99 VAL HA H 99 4.115 4.749 -0.634 1
1 1127 . 17 1 1 A 99 99 VAL CB C 99 32.590 33.744 -1.154 1
1 1137 . 17 1 1 A 99 99 VAL C C 99 176.994 175.024 1.970 1
1 1138 . 17 1 1 A 100 100 GLY N N 100 117.424 113.874 3.550 1
1 1139 . 17 1 1 A 100 100 GLY H H 100 8.682 8.321 0.361 1
1 1140 . 17 1 1 A 100 100 GLY CA C 100 44.650 45.986 -1.336 1
1 1141 . 17 1 1 A 100 100 GLY HA3 H 100 4.386 4.195 0.191 1
1 1142 . 17 1 1 A 100 100 GLY C C 100 173.180 172.330 0.850 1
1 1143 . 17 1 1 A 100 100 GLY HA2 H 100 3.954 4.192 -0.238 1
1 1144 . 17 1 1 A 101 101 GLU N N 101 119.495 120.335 -0.840 1
1 1145 . 17 1 1 A 101 101 GLU H H 101 8.383 8.978 -0.595 1
1 1146 . 17 1 1 A 101 101 GLU CA C 101 54.168 53.912 0.256 1
1 1147 . 17 1 1 A 101 101 GLU HA H 101 4.661 4.987 -0.326 1
1 1148 . 17 1 1 A 101 101 GLU CB C 101 29.836 32.629 -2.793 1
1 1152 . 17 1 1 A 101 101 GLU C C 101 175.458 174.043 1.415 1
1 1155 . 17 1 1 A 102 102 PRO CA C 102 63.897 62.806 1.091 1
1 1156 . 17 1 1 A 102 102 PRO HA H 102 4.361 4.606 -0.245 1
1 1157 . 17 1 1 A 102 102 PRO CB C 102 31.946 32.475 -0.529 1
1 1163 . 17 1 1 A 102 102 PRO C C 102 177.509 176.728 0.781 1
1 1167 . 17 1 1 A 103 103 GLY N N 103 109.378 108.903 0.475 1
1 1168 . 17 1 1 A 103 103 GLY H H 103 8.552 8.694 -0.142 1
1 1169 . 17 1 1 A 103 103 GLY CA C 103 45.263 45.366 -0.103 1
1 1170 . 17 1 1 A 103 103 GLY HA3 H 103 3.962 3.983 -0.021 1
1 1171 . 17 1 1 A 103 103 GLY C C 103 174.277 172.969 1.308 1
1 1172 . 17 1 1 A 103 103 GLY HA2 H 103 3.962 3.983 -0.021 1
1 1173 . 17 1 1 A 104 104 GLN N N 104 119.735 124.147 -4.412 1
1 1174 . 17 1 1 A 104 104 GLN H H 104 8.096 8.694 -0.598 1
1 1175 . 17 1 1 A 104 104 GLN CA C 104 55.924 54.170 1.754 1
1 1176 . 17 1 1 A 104 104 GLN HA H 104 4.339 4.565 -0.226 1
1 1177 . 17 1 1 A 104 104 GLN CB C 104 29.622 30.979 -1.357 1
1 1184 . 17 1 1 A 104 104 GLN C C 104 175.669 176.482 -0.813 1
1 1187 . 17 1 1 A 105 105 ALA N N 105 125.603 124.922 0.681 1
1 1188 . 17 1 1 A 105 105 ALA H H 105 8.389 8.638 -0.249 1
1 1189 . 17 1 1 A 105 105 ALA CA C 105 52.416 54.247 -1.831 1
1 1190 . 17 1 1 A 105 105 ALA HA H 105 4.385 4.018 0.367 1
1 1191 . 17 1 1 A 105 105 ALA CB C 105 19.608 19.380 0.228 1
1 1195 . 17 1 1 A 105 105 ALA C C 105 176.971 178.170 -1.199 1
1 1 . 18 1 1 A 8 8 SER CA C 8 59.066 58.566 0.500 1
1 2 . 18 1 1 A 8 8 SER HA H 8 4.444 4.516 -0.072 1
1 3 . 18 1 1 A 8 8 SER CB C 8 63.749 64.495 -0.746 1
1 5 . 18 1 1 A 8 8 SER C C 8 174.832 173.792 1.040 1
1 7 . 18 1 1 A 9 9 ASP N N 9 122.244 119.923 2.321 1
1 8 . 18 1 1 A 9 9 ASP H H 9 8.460 8.718 -0.258 1
1 9 . 18 1 1 A 9 9 ASP CA C 9 54.943 52.583 2.360 1
1 10 . 18 1 1 A 9 9 ASP HA H 9 4.730 5.264 -0.534 1
1 11 . 18 1 1 A 9 9 ASP CB C 9 41.125 45.301 -4.176 1
1 13 . 18 1 1 A 9 9 ASP C C 9 176.845 174.536 2.309 1
1 15 . 18 1 1 A 10 10 ASP N N 10 120.929 121.392 -0.463 1
1 16 . 18 1 1 A 10 10 ASP H H 10 8.121 8.830 -0.709 1
1 17 . 18 1 1 A 10 10 ASP CA C 10 55.841 53.302 2.539 1
1 18 . 18 1 1 A 10 10 ASP HA H 10 4.523 4.803 -0.280 1
1 19 . 18 1 1 A 10 10 ASP CB C 10 41.834 39.006 2.828 1
1 21 . 18 1 1 A 10 10 ASP C C 10 177.047 175.896 1.151 1
1 23 . 18 1 1 A 11 11 ALA N N 11 122.815 124.285 -1.470 1
1 24 . 18 1 1 A 11 11 ALA H H 11 8.520 8.083 0.437 1
1 25 . 18 1 1 A 11 11 ALA CA C 11 54.828 54.813 0.015 1
1 26 . 18 1 1 A 11 11 ALA HA H 11 4.004 4.038 -0.034 1
1 27 . 18 1 1 A 11 11 ALA CB C 11 19.454 19.433 0.021 1
1 31 . 18 1 1 A 11 11 ALA C C 11 179.280 179.308 -0.028 1
1 32 . 18 1 1 A 12 12 ARG N N 12 115.782 117.064 -1.282 1
1 33 . 18 1 1 A 12 12 ARG H H 12 8.159 8.157 0.002 1
1 34 . 18 1 1 A 12 12 ARG CA C 12 57.578 58.057 -0.479 1
1 35 . 18 1 1 A 12 12 ARG HA H 12 4.310 4.115 0.195 1
1 36 . 18 1 1 A 12 12 ARG CB C 12 29.817 29.003 0.814 1
1 42 . 18 1 1 A 12 12 ARG C C 12 176.412 177.751 -1.339 1
1 46 . 18 1 1 A 13 13 ARG N N 13 117.438 117.942 -0.504 1
1 47 . 18 1 1 A 13 13 ARG H H 13 7.858 7.799 0.059 1
1 48 . 18 1 1 A 13 13 ARG CA C 13 56.855 58.475 -1.620 1
1 49 . 18 1 1 A 13 13 ARG HA H 13 4.183 4.282 -0.099 1
1 50 . 18 1 1 A 13 13 ARG CB C 13 30.976 30.507 0.469 1
1 56 . 18 1 1 A 13 13 ARG C C 13 176.451 177.210 -0.759 1
1 60 . 18 1 1 A 14 14 LEU N N 14 121.077 121.291 -0.214 1
1 61 . 18 1 1 A 14 14 LEU H H 14 6.925 7.142 -0.217 1
1 62 . 18 1 1 A 14 14 LEU CA C 14 56.582 55.794 0.788 1
1 63 . 18 1 1 A 14 14 LEU HA H 14 4.394 3.988 0.406 1
1 64 . 18 1 1 A 14 14 LEU CB C 14 42.968 41.855 1.113 1
1 76 . 18 1 1 A 14 14 LEU C C 14 177.296 176.470 0.826 1
1 78 . 18 1 1 A 15 15 THR N N 15 115.028 119.996 -4.968 1
1 79 . 18 1 1 A 15 15 THR H H 15 8.716 8.780 -0.064 1
1 80 . 18 1 1 A 15 15 THR CA C 15 61.169 61.513 -0.344 1
1 81 . 18 1 1 A 15 15 THR HA H 15 4.667 5.090 -0.423 1
1 82 . 18 1 1 A 15 15 THR CB C 15 71.348 71.781 -0.433 1
1 88 . 18 1 1 A 15 15 THR C C 15 173.454 173.211 0.243 1
1 89 . 18 1 1 A 16 16 VAL N N 16 126.736 125.959 0.777 1
1 90 . 18 1 1 A 16 16 VAL H H 16 8.727 8.855 -0.128 1
1 91 . 18 1 1 A 16 16 VAL CA C 16 62.600 61.120 1.480 1
1 92 . 18 1 1 A 16 16 VAL HA H 16 4.539 4.505 0.034 1
1 93 . 18 1 1 A 16 16 VAL CB C 16 32.521 32.634 -0.113 1
1 103 . 18 1 1 A 16 16 VAL C C 16 175.348 175.077 0.271 1
1 104 . 18 1 1 A 17 17 MET N N 17 126.444 125.668 0.776 1
1 105 . 18 1 1 A 17 17 MET H H 17 9.255 9.098 0.157 1
1 106 . 18 1 1 A 17 17 MET CA C 17 54.872 54.322 0.550 1
1 107 . 18 1 1 A 17 17 MET HA H 17 4.806 4.836 -0.030 1
1 108 . 18 1 1 A 17 17 MET CB C 17 35.443 34.511 0.932 1
1 116 . 18 1 1 A 17 17 MET C C 17 174.681 175.771 -1.090 1
1 119 . 18 1 1 A 18 18 SER N N 18 112.443 112.821 -0.378 1
1 120 . 18 1 1 A 18 18 SER H H 18 8.568 8.591 -0.023 1
1 121 . 18 1 1 A 18 18 SER CA C 18 58.711 58.960 -0.249 1
1 122 . 18 1 1 A 18 18 SER HA H 18 4.018 4.024 -0.006 1
1 123 . 18 1 1 A 18 18 SER CB C 18 62.009 61.752 0.257 1
1 125 . 18 1 1 A 18 18 SER C C 18 173.373 172.953 0.420 1
1 127 . 18 1 1 A 19 19 LEU N N 19 122.011 122.043 -0.032 1
1 128 . 18 1 1 A 19 19 LEU H H 19 7.996 7.789 0.207 1
1 129 . 18 1 1 A 19 19 LEU CA C 19 54.978 54.735 0.243 1
1 130 . 18 1 1 A 19 19 LEU HA H 19 4.283 4.644 -0.361 1
1 131 . 18 1 1 A 19 19 LEU CB C 19 41.955 42.620 -0.665 1
1 143 . 18 1 1 A 19 19 LEU C C 19 176.135 175.830 0.305 1
1 145 . 18 1 1 A 20 20 GLN N N 20 127.739 127.042 0.697 1
1 146 . 18 1 1 A 20 20 GLN H H 20 8.669 8.660 0.009 1
1 147 . 18 1 1 A 20 20 GLN CA C 20 55.617 55.014 0.603 1
1 148 . 18 1 1 A 20 20 GLN HA H 20 4.400 4.512 -0.112 1
1 149 . 18 1 1 A 20 20 GLN CB C 20 29.298 28.351 0.947 1
1 156 . 18 1 1 A 20 20 GLN C C 20 175.033 175.739 -0.706 1
1 159 . 18 1 1 A 21 21 GLU N N 21 121.152 127.984 -6.832 1
1 160 . 18 1 1 A 21 21 GLU H H 21 8.546 8.911 -0.365 1
1 161 . 18 1 1 A 21 21 GLU CA C 21 57.598 59.245 -1.647 1
1 162 . 18 1 1 A 21 21 GLU HA H 21 4.310 4.020 0.290 1
1 163 . 18 1 1 A 21 21 GLU CB C 21 30.764 30.443 0.321 1
1 167 . 18 1 1 A 21 21 GLU C C 21 176.581 177.531 -0.950 1
1 170 . 18 1 1 A 22 22 SER N N 22 113.328 111.547 1.781 1
1 171 . 18 1 1 A 22 22 SER H H 22 8.018 7.720 0.298 1
1 172 . 18 1 1 A 22 22 SER CA C 22 57.682 56.990 0.692 1
1 173 . 18 1 1 A 22 22 SER HA H 22 4.997 4.797 0.200 1
1 174 . 18 1 1 A 22 22 SER CB C 22 64.489 63.792 0.697 1
1 176 . 18 1 1 A 22 22 SER C C 22 174.062 175.183 -1.121 1
1 178 . 18 1 1 A 23 23 GLY N N 23 109.317 109.930 -0.613 1
1 179 . 18 1 1 A 23 23 GLY H H 23 8.828 7.944 0.884 1
1 180 . 18 1 1 A 23 23 GLY CA C 23 45.609 45.568 0.041 1
1 181 . 18 1 1 A 23 23 GLY HA3 H 23 4.116 4.026 0.090 1
1 182 . 18 1 1 A 23 23 GLY C C 23 174.629 173.726 0.903 1
1 183 . 18 1 1 A 23 23 GLY HA2 H 23 3.832 4.025 -0.193 1
1 184 . 18 1 1 A 24 24 LEU N N 24 120.545 120.499 0.046 1
1 185 . 18 1 1 A 24 24 LEU H H 24 7.559 7.345 0.214 1
1 186 . 18 1 1 A 24 24 LEU CA C 24 55.569 53.993 1.576 1
1 187 . 18 1 1 A 24 24 LEU HA H 24 4.310 4.555 -0.245 1
1 188 . 18 1 1 A 24 24 LEU CB C 24 42.978 42.804 0.174 1
1 200 . 18 1 1 A 24 24 LEU C C 24 176.704 176.102 0.602 1
1 202 . 18 1 1 A 25 25 LYS N N 25 122.188 119.932 2.256 1
1 203 . 18 1 1 A 25 25 LYS H H 25 8.828 8.545 0.283 1
1 204 . 18 1 1 A 25 25 LYS CA C 25 54.686 54.524 0.162 1
1 205 . 18 1 1 A 25 25 LYS HA H 25 4.676 5.096 -0.420 1
1 206 . 18 1 1 A 25 25 LYS CB C 25 35.736 35.743 -0.007 1
1 214 . 18 1 1 A 25 25 LYS C C 25 175.885 176.343 -0.458 1
1 219 . 18 1 1 A 26 26 VAL N N 26 121.689 122.969 -1.280 1
1 220 . 18 1 1 A 26 26 VAL H H 26 8.503 8.584 -0.081 1
1 221 . 18 1 1 A 26 26 VAL CA C 26 64.069 62.342 1.727 1
1 222 . 18 1 1 A 26 26 VAL HA H 26 3.218 4.057 -0.839 1
1 223 . 18 1 1 A 26 26 VAL CB C 26 31.636 32.449 -0.813 1
1 233 . 18 1 1 A 26 26 VAL C C 26 175.837 175.651 0.186 1
1 234 . 18 1 1 A 27 27 ASN N N 27 116.772 118.736 -1.964 1
1 235 . 18 1 1 A 27 27 ASN H H 27 8.682 8.943 -0.261 1
1 236 . 18 1 1 A 27 27 ASN CA C 27 55.183 54.305 0.878 1
1 237 . 18 1 1 A 27 27 ASN HA H 27 4.138 4.342 -0.204 1
1 238 . 18 1 1 A 27 27 ASN CB C 27 37.242 37.364 -0.122 1
1 243 . 18 1 1 A 27 27 ASN C C 27 173.308 173.881 -0.573 1
1 245 . 18 1 1 A 28 28 GLN N N 28 118.793 117.038 1.755 1
1 246 . 18 1 1 A 28 28 GLN H H 28 7.544 7.575 -0.031 1
1 247 . 18 1 1 A 28 28 GLN CA C 28 52.212 52.417 -0.205 1
1 248 . 18 1 1 A 28 28 GLN HA H 28 4.893 4.674 0.219 1
1 249 . 18 1 1 A 28 28 GLN CB C 28 30.060 30.975 -0.915 1
1 256 . 18 1 1 A 28 28 GLN C C 28 173.078 173.304 -0.226 1
1 259 . 18 1 1 A 29 29 PRO CA C 29 63.563 62.672 0.891 1
1 260 . 18 1 1 A 29 29 PRO HA H 29 4.294 4.604 -0.310 1
1 261 . 18 1 1 A 29 29 PRO CB C 29 31.874 31.650 0.224 1
1 267 . 18 1 1 A 29 29 PRO C C 29 175.250 175.690 -0.440 1
1 271 . 18 1 1 A 30 30 ALA N N 30 128.803 126.535 2.268 1
1 272 . 18 1 1 A 30 30 ALA H H 30 8.887 7.996 0.891 1
1 273 . 18 1 1 A 30 30 ALA CA C 30 50.558 50.310 0.248 1
1 274 . 18 1 1 A 30 30 ALA HA H 30 4.539 4.915 -0.376 1
1 275 . 18 1 1 A 30 30 ALA CB C 30 21.602 21.483 0.119 1
1 279 . 18 1 1 A 30 30 ALA C C 30 175.510 175.569 -0.059 1
1 280 . 18 1 1 A 31 31 SER N N 31 112.512 116.182 -3.670 1
1 281 . 18 1 1 A 31 31 SER H H 31 8.214 8.798 -0.584 1
1 282 . 18 1 1 A 31 31 SER CA C 31 56.701 56.458 0.243 1
1 283 . 18 1 1 A 31 31 SER HA H 31 5.832 5.446 0.386 1
1 284 . 18 1 1 A 31 31 SER CB C 31 66.721 66.647 0.074 1
1 286 . 18 1 1 A 31 31 SER C C 31 173.379 173.649 -0.270 1
1 288 . 18 1 1 A 32 32 PHE N N 32 119.232 117.923 1.309 1
1 289 . 18 1 1 A 32 32 PHE H H 32 8.798 8.101 0.697 1
1 290 . 18 1 1 A 32 32 PHE CA C 32 56.218 55.490 0.728 1
1 291 . 18 1 1 A 32 32 PHE HA H 32 4.925 5.595 -0.670 1
1 292 . 18 1 1 A 32 32 PHE CB C 32 39.752 41.851 -2.099 1
1 304 . 18 1 1 A 32 32 PHE C C 32 172.709 172.704 0.005 1
1 306 . 18 1 1 A 33 33 ALA N N 33 122.788 122.040 0.748 1
1 307 . 18 1 1 A 33 33 ALA H H 33 8.827 8.851 -0.024 1
1 308 . 18 1 1 A 33 33 ALA CA C 33 50.616 50.155 0.461 1
1 309 . 18 1 1 A 33 33 ALA HA H 33 5.654 5.559 0.095 1
1 310 . 18 1 1 A 33 33 ALA CB C 33 22.616 21.166 1.450 1
1 314 . 18 1 1 A 33 33 ALA C C 33 175.770 175.930 -0.160 1
1 315 . 18 1 1 A 34 34 ILE N N 34 118.542 123.616 -5.074 1
1 316 . 18 1 1 A 34 34 ILE H H 34 9.194 8.979 0.215 1
1 317 . 18 1 1 A 34 34 ILE CA C 34 59.486 60.526 -1.040 1
1 318 . 18 1 1 A 34 34 ILE HA H 34 4.978 4.531 0.447 1
1 319 . 18 1 1 A 34 34 ILE CB C 34 42.577 38.209 4.368 1
1 331 . 18 1 1 A 34 34 ILE C C 34 174.924 174.899 0.025 1
1 333 . 18 1 1 A 35 35 ARG N N 35 126.774 128.705 -1.931 1
1 334 . 18 1 1 A 35 35 ARG H H 35 9.038 8.853 0.185 1
1 335 . 18 1 1 A 35 35 ARG CA C 35 54.096 56.478 -2.382 1
1 336 . 18 1 1 A 35 35 ARG HA H 35 5.283 4.658 0.625 1
1 337 . 18 1 1 A 35 35 ARG CB C 35 32.039 31.045 0.994 1
1 343 . 18 1 1 A 35 35 ARG C C 35 175.959 174.935 1.024 1
1 347 . 18 1 1 A 36 36 LEU N N 36 123.887 127.383 -3.496 1
1 348 . 18 1 1 A 36 36 LEU H H 36 8.648 8.808 -0.160 1
1 349 . 18 1 1 A 36 36 LEU CA C 36 56.318 53.468 2.850 1
1 350 . 18 1 1 A 36 36 LEU HA H 36 4.037 4.812 -0.775 1
1 351 . 18 1 1 A 36 36 LEU CB C 36 41.028 43.326 -2.298 1
1 363 . 18 1 1 A 36 36 LEU C C 36 177.292 176.358 0.934 1
1 365 . 18 1 1 A 37 37 ASN N N 37 115.087 122.714 -7.627 1
1 366 . 18 1 1 A 37 37 ASN H H 37 8.594 8.976 -0.382 1
1 367 . 18 1 1 A 37 37 ASN CA C 37 54.182 53.125 1.057 1
1 368 . 18 1 1 A 37 37 ASN HA H 37 4.407 4.818 -0.411 1
1 369 . 18 1 1 A 37 37 ASN CB C 37 37.687 38.619 -0.932 1
1 374 . 18 1 1 A 37 37 ASN C C 37 176.277 175.647 0.630 1
1 376 . 18 1 1 A 38 38 GLY N N 38 106.329 107.751 -1.422 1
1 377 . 18 1 1 A 38 38 GLY H H 38 9.506 7.919 1.587 1
1 378 . 18 1 1 A 38 38 GLY CA C 38 45.290 45.649 -0.359 1
1 379 . 18 1 1 A 38 38 GLY HA3 H 38 4.156 4.033 0.123 1
1 380 . 18 1 1 A 38 38 GLY C C 38 174.483 174.326 0.157 1
1 381 . 18 1 1 A 38 38 GLY HA2 H 38 3.617 4.021 -0.404 1
1 382 . 18 1 1 A 39 39 ALA N N 39 124.015 123.278 0.737 1
1 383 . 18 1 1 A 39 39 ALA H H 39 7.483 7.941 -0.458 1
1 384 . 18 1 1 A 39 39 ALA CA C 39 52.396 51.323 1.073 1
1 385 . 18 1 1 A 39 39 ALA HA H 39 4.280 4.501 -0.221 1
1 386 . 18 1 1 A 39 39 ALA CB C 39 20.424 20.205 0.219 1
1 390 . 18 1 1 A 39 39 ALA C C 39 176.275 177.104 -0.829 1
1 391 . 18 1 1 A 40 40 LYS N N 40 119.513 123.278 -3.765 1
1 392 . 18 1 1 A 40 40 LYS H H 40 8.685 8.817 -0.132 1
1 393 . 18 1 1 A 40 40 LYS CA C 40 54.696 55.565 -0.869 1
1 394 . 18 1 1 A 40 40 LYS HA H 40 4.811 4.825 -0.014 1
1 395 . 18 1 1 A 40 40 LYS CB C 40 34.324 33.851 0.473 1
1 403 . 18 1 1 A 40 40 LYS C C 40 176.004 176.470 -0.466 1
1 408 . 18 1 1 A 41 41 GLY N N 41 111.941 109.534 2.407 1
1 409 . 18 1 1 A 41 41 GLY H H 41 8.398 8.444 -0.046 1
1 410 . 18 1 1 A 41 41 GLY CA C 41 45.887 45.048 0.839 1
1 411 . 18 1 1 A 41 41 GLY HA3 H 41 3.722 4.132 -0.410 1
1 412 . 18 1 1 A 41 41 GLY C C 41 171.021 171.955 -0.934 1
1 413 . 18 1 1 A 41 41 GLY HA2 H 41 3.722 3.884 -0.162 1
1 414 . 18 1 1 A 42 42 LYS N N 42 119.600 118.273 1.327 1
1 415 . 18 1 1 A 42 42 LYS H H 42 7.293 8.187 -0.894 1
1 416 . 18 1 1 A 42 42 LYS CA C 42 54.522 54.243 0.279 1
1 417 . 18 1 1 A 42 42 LYS HA H 42 4.467 4.898 -0.431 1
1 418 . 18 1 1 A 42 42 LYS CB C 42 34.979 35.007 -0.028 1
1 426 . 18 1 1 A 42 42 LYS C C 42 175.675 174.985 0.690 1
1 431 . 18 1 1 A 43 43 ILE N N 43 127.421 121.553 5.868 1
1 432 . 18 1 1 A 43 43 ILE H H 43 8.706 8.644 0.062 1
1 433 . 18 1 1 A 43 43 ILE CA C 43 60.336 60.607 -0.271 1
1 434 . 18 1 1 A 43 43 ILE HA H 43 4.695 4.919 -0.224 1
1 435 . 18 1 1 A 43 43 ILE CB C 43 39.322 40.335 -1.013 1
1 447 . 18 1 1 A 43 43 ILE C C 43 174.542 173.843 0.699 1
1 449 . 18 1 1 A 44 44 ASP N N 44 127.995 129.106 -1.111 1
1 450 . 18 1 1 A 44 44 ASP H H 44 8.861 8.974 -0.113 1
1 451 . 18 1 1 A 44 44 ASP CA C 44 53.245 52.661 0.584 1
1 452 . 18 1 1 A 44 44 ASP HA H 44 4.817 5.369 -0.552 1
1 453 . 18 1 1 A 44 44 ASP CB C 44 44.577 44.652 -0.075 1
1 455 . 18 1 1 A 44 44 ASP C C 44 173.768 174.484 -0.716 1
1 457 . 18 1 1 A 45 45 ALA N N 45 127.601 127.506 0.095 1
1 458 . 18 1 1 A 45 45 ALA H H 45 8.819 9.064 -0.245 1
1 459 . 18 1 1 A 45 45 ALA CA C 45 50.180 51.358 -1.178 1
1 460 . 18 1 1 A 45 45 ALA HA H 45 5.859 5.540 0.319 1
1 461 . 18 1 1 A 45 45 ALA CB C 45 21.379 21.599 -0.220 1
1 465 . 18 1 1 A 45 45 ALA C C 45 175.393 176.076 -0.683 1
1 466 . 18 1 1 A 46 46 LYS N N 46 122.427 122.308 0.119 1
1 467 . 18 1 1 A 46 46 LYS H H 46 8.723 8.865 -0.142 1
1 468 . 18 1 1 A 46 46 LYS CA C 46 55.090 54.832 0.258 1
1 469 . 18 1 1 A 46 46 LYS HA H 46 5.057 5.024 0.033 1
1 470 . 18 1 1 A 46 46 LYS CB C 46 37.534 37.185 0.349 1
1 478 . 18 1 1 A 46 46 LYS C C 46 173.473 174.494 -1.021 1
1 483 . 18 1 1 A 47 47 VAL N N 47 120.177 121.642 -1.465 1
1 484 . 18 1 1 A 47 47 VAL H H 47 8.989 8.849 0.140 1
1 485 . 18 1 1 A 47 47 VAL CA C 47 59.152 59.833 -0.681 1
1 486 . 18 1 1 A 47 47 VAL HA H 47 4.875 4.867 0.008 1
1 487 . 18 1 1 A 47 47 VAL CB C 47 34.502 34.282 0.220 1
1 497 . 18 1 1 A 47 47 VAL C C 47 173.786 174.208 -0.422 1
1 498 . 18 1 1 A 48 48 HIS N N 48 127.949 128.698 -0.749 1
1 499 . 18 1 1 A 48 48 HIS H H 48 9.661 9.217 0.444 1
1 500 . 18 1 1 A 48 48 HIS CA C 48 53.917 56.089 -2.172 1
1 501 . 18 1 1 A 48 48 HIS HA H 48 5.238 5.089 0.149 1
1 502 . 18 1 1 A 48 48 HIS CB C 48 30.549 31.944 -1.395 1
1 508 . 18 1 1 A 48 48 HIS C C 48 175.556 174.271 1.285 1
1 510 . 18 1 1 A 49 49 SER N N 49 121.639 116.383 5.256 1
1 511 . 18 1 1 A 49 49 SER H H 49 9.114 8.174 0.940 1
1 512 . 18 1 1 A 49 49 SER CA C 49 56.693 54.882 1.811 1
1 513 . 18 1 1 A 49 49 SER HA H 49 4.391 4.948 -0.557 1
1 514 . 18 1 1 A 49 49 SER CB C 49 63.160 65.404 -2.244 1
1 516 . 18 1 1 A 49 49 SER C C 49 174.390 173.913 0.477 1
1 518 . 18 1 1 A 50 50 PRO CA C 50 65.732 64.356 1.376 1
1 519 . 18 1 1 A 50 50 PRO HA H 50 4.247 4.506 -0.259 1
1 520 . 18 1 1 A 50 50 PRO CB C 50 31.516 31.826 -0.310 1
1 526 . 18 1 1 A 50 50 PRO C C 50 177.969 177.184 0.785 1
1 530 . 18 1 1 A 51 51 SER N N 51 110.808 110.756 0.052 1
1 531 . 18 1 1 A 51 51 SER H H 51 8.539 7.756 0.783 1
1 532 . 18 1 1 A 51 51 SER CA C 51 59.311 58.934 0.377 1
1 533 . 18 1 1 A 51 51 SER HA H 51 4.331 4.344 -0.013 1
1 534 . 18 1 1 A 51 51 SER CB C 51 62.767 64.581 -1.814 1
1 536 . 18 1 1 A 51 51 SER C C 51 175.339 175.072 0.267 1
1 538 . 18 1 1 A 52 52 GLY N N 52 110.692 110.308 0.384 1
1 539 . 18 1 1 A 52 52 GLY H H 52 8.181 7.889 0.292 1
1 540 . 18 1 1 A 52 52 GLY CA C 52 44.862 45.360 -0.498 1
1 541 . 18 1 1 A 52 52 GLY HA3 H 52 4.444 4.057 0.387 1
1 542 . 18 1 1 A 52 52 GLY C C 52 174.389 173.913 0.476 1
1 543 . 18 1 1 A 52 52 GLY HA2 H 52 3.634 4.040 -0.406 1
1 544 . 18 1 1 A 53 53 ALA N N 53 124.417 122.497 1.920 1
1 545 . 18 1 1 A 53 53 ALA H H 53 7.419 7.787 -0.368 1
1 546 . 18 1 1 A 53 53 ALA CA C 53 52.538 50.278 2.260 1
1 547 . 18 1 1 A 53 53 ALA HA H 53 4.373 4.731 -0.358 1
1 548 . 18 1 1 A 53 53 ALA CB C 53 19.207 22.180 -2.973 1
1 552 . 18 1 1 A 53 53 ALA C C 53 176.519 176.005 0.514 1
1 553 . 18 1 1 A 54 54 VAL N N 54 121.228 121.050 0.178 1
1 554 . 18 1 1 A 54 54 VAL H H 54 8.429 8.719 -0.290 1
1 555 . 18 1 1 A 54 54 VAL CA C 54 60.672 61.429 -0.757 1
1 556 . 18 1 1 A 54 54 VAL HA H 54 4.980 4.421 0.559 1
1 557 . 18 1 1 A 54 54 VAL CB C 54 33.933 32.590 1.343 1
1 567 . 18 1 1 A 54 54 VAL C C 54 175.443 175.055 0.388 1
1 568 . 18 1 1 A 55 55 GLU N N 55 126.290 126.956 -0.666 1
1 569 . 18 1 1 A 55 55 GLU H H 55 8.640 8.761 -0.121 1
1 570 . 18 1 1 A 55 55 GLU CA C 55 54.306 54.446 -0.140 1
1 571 . 18 1 1 A 55 55 GLU HA H 55 4.754 4.845 -0.091 1
1 572 . 18 1 1 A 55 55 GLU CB C 55 33.612 32.649 0.963 1
1 576 . 18 1 1 A 55 55 GLU C C 55 175.073 174.767 0.306 1
1 579 . 18 1 1 A 56 56 GLU N N 56 123.200 122.701 0.499 1
1 580 . 18 1 1 A 56 56 GLU H H 56 8.878 8.802 0.076 1
1 581 . 18 1 1 A 56 56 GLU CA C 56 56.966 55.266 1.700 1
1 582 . 18 1 1 A 56 56 GLU HA H 56 4.479 4.985 -0.506 1
1 583 . 18 1 1 A 56 56 GLU CB C 56 30.258 31.801 -1.543 1
1 587 . 18 1 1 A 56 56 GLU C C 56 177.592 175.485 2.107 1
1 590 . 18 1 1 A 57 57 CYS N N 57 121.919 124.023 -2.104 1
1 591 . 18 1 1 A 57 57 CYS H H 57 8.496 8.364 0.132 1
1 592 . 18 1 1 A 57 57 CYS CA C 57 59.030 57.510 1.520 1
1 593 . 18 1 1 A 57 57 CYS HA H 57 4.690 5.187 -0.497 1
1 594 . 18 1 1 A 57 57 CYS CB C 57 29.620 28.867 0.753 1
1 596 . 18 1 1 A 57 57 CYS C C 57 173.871 174.349 -0.478 1
1 598 . 18 1 1 A 58 58 HIS N N 58 123.415 124.401 -0.986 1
1 599 . 18 1 1 A 58 58 HIS H H 58 8.961 8.532 0.429 1
1 600 . 18 1 1 A 58 58 HIS CA C 58 56.751 56.600 0.151 1
1 601 . 18 1 1 A 58 58 HIS HA H 58 4.725 4.545 0.180 1
1 602 . 18 1 1 A 58 58 HIS CB C 58 31.813 29.956 1.857 1
1 608 . 18 1 1 A 58 58 HIS C C 58 174.903 173.359 1.544 1
1 610 . 18 1 1 A 59 59 VAL N N 59 128.900 129.473 -0.573 1
1 611 . 18 1 1 A 59 59 VAL H H 59 8.521 9.122 -0.601 1
1 612 . 18 1 1 A 59 59 VAL CA C 59 61.131 61.132 -0.001 1
1 613 . 18 1 1 A 59 59 VAL HA H 59 5.142 4.499 0.643 1
1 614 . 18 1 1 A 59 59 VAL CB C 59 33.825 32.593 1.232 1
1 624 . 18 1 1 A 59 59 VAL C C 59 175.539 174.504 1.035 1
1 625 . 18 1 1 A 60 60 SER N N 60 120.428 122.959 -2.531 1
1 626 . 18 1 1 A 60 60 SER H H 60 8.995 8.729 0.266 1
1 627 . 18 1 1 A 60 60 SER CA C 60 56.782 56.238 0.544 1
1 628 . 18 1 1 A 60 60 SER HA H 60 4.823 5.036 -0.213 1
1 629 . 18 1 1 A 60 60 SER CB C 60 65.880 64.621 1.259 1
1 631 . 18 1 1 A 60 60 SER C C 60 172.353 172.609 -0.256 1
1 633 . 18 1 1 A 61 61 GLU N N 61 125.163 127.090 -1.927 1
1 634 . 18 1 1 A 61 61 GLU H H 61 8.894 8.714 0.180 1
1 635 . 18 1 1 A 61 61 GLU CA C 61 57.081 54.905 2.176 1
1 636 . 18 1 1 A 61 61 GLU HA H 61 3.545 3.942 -0.397 1
1 637 . 18 1 1 A 61 61 GLU CB C 61 30.675 29.156 1.519 1
1 641 . 18 1 1 A 61 61 GLU C C 61 176.353 175.280 1.073 1
1 644 . 18 1 1 A 62 62 LEU N N 62 129.563 128.786 0.777 1
1 645 . 18 1 1 A 62 62 LEU H H 62 8.800 8.754 0.046 1
1 646 . 18 1 1 A 62 62 LEU CA C 62 56.462 55.967 0.495 1
1 647 . 18 1 1 A 62 62 LEU HA H 62 4.341 4.336 0.005 1
1 648 . 18 1 1 A 62 62 LEU CB C 62 44.020 42.639 1.381 1
1 660 . 18 1 1 A 62 62 LEU C C 62 176.662 176.901 -0.239 1
1 662 . 18 1 1 A 63 63 GLU N N 63 117.143 117.927 -0.784 1
1 663 . 18 1 1 A 63 63 GLU H H 63 8.292 7.347 0.945 1
1 664 . 18 1 1 A 63 63 GLU CA C 63 53.777 53.022 0.755 1
1 665 . 18 1 1 A 63 63 GLU HA H 63 4.655 4.689 -0.034 1
1 666 . 18 1 1 A 63 63 GLU CB C 63 29.768 31.283 -1.515 1
1 670 . 18 1 1 A 63 63 GLU C C 63 172.058 176.165 -4.107 1
1 673 . 18 1 1 A 64 64 PRO CA C 64 65.767 64.365 1.402 1
1 674 . 18 1 1 A 64 64 PRO HA H 64 4.227 4.541 -0.314 1
1 675 . 18 1 1 A 64 64 PRO CB C 64 31.005 31.837 -0.832 1
1 681 . 18 1 1 A 64 64 PRO C C 64 177.068 176.561 0.507 1
1 685 . 18 1 1 A 65 65 ASP N N 65 118.425 116.734 1.691 1
1 686 . 18 1 1 A 65 65 ASP H H 65 8.965 8.378 0.587 1
1 687 . 18 1 1 A 65 65 ASP CA C 65 55.827 54.198 1.629 1
1 688 . 18 1 1 A 65 65 ASP HA H 65 4.589 4.938 -0.349 1
1 689 . 18 1 1 A 65 65 ASP CB C 65 43.713 42.694 1.019 1
1 691 . 18 1 1 A 65 65 ASP C C 65 174.921 175.259 -0.338 1
1 693 . 18 1 1 A 66 66 LYS N N 66 120.940 120.189 0.751 1
1 694 . 18 1 1 A 66 66 LYS H H 66 8.476 7.566 0.910 1
1 695 . 18 1 1 A 66 66 LYS CA C 66 55.938 55.686 0.252 1
1 696 . 18 1 1 A 66 66 LYS HA H 66 5.476 5.185 0.291 1
1 697 . 18 1 1 A 66 66 LYS CB C 66 36.812 36.225 0.587 1
1 705 . 18 1 1 A 66 66 LYS C C 66 173.912 174.180 -0.268 1
1 710 . 18 1 1 A 67 67 TYR N N 67 126.047 123.460 2.587 1
1 711 . 18 1 1 A 67 67 TYR H H 67 9.291 9.020 0.271 1
1 712 . 18 1 1 A 67 67 TYR CA C 67 56.589 56.795 -0.206 1
1 713 . 18 1 1 A 67 67 TYR HA H 67 5.136 5.280 -0.144 1
1 714 . 18 1 1 A 67 67 TYR CB C 67 41.933 43.145 -1.212 1
1 724 . 18 1 1 A 67 67 TYR C C 67 174.424 174.098 0.326 1
1 726 . 18 1 1 A 68 68 ALA N N 68 123.234 123.675 -0.441 1
1 727 . 18 1 1 A 68 68 ALA H H 68 9.393 8.555 0.838 1
1 728 . 18 1 1 A 68 68 ALA CA C 68 50.620 50.230 0.390 1
1 729 . 18 1 1 A 68 68 ALA HA H 68 5.002 5.409 -0.407 1
1 730 . 18 1 1 A 68 68 ALA CB C 68 21.211 21.975 -0.764 1
1 734 . 18 1 1 A 68 68 ALA C C 68 176.258 175.981 0.277 1
1 735 . 18 1 1 A 69 69 VAL N N 69 121.910 122.614 -0.704 1
1 736 . 18 1 1 A 69 69 VAL H H 69 8.412 8.581 -0.169 1
1 737 . 18 1 1 A 69 69 VAL CA C 69 61.147 61.215 -0.068 1
1 738 . 18 1 1 A 69 69 VAL HA H 69 4.587 4.680 -0.093 1
1 739 . 18 1 1 A 69 69 VAL CB C 69 32.409 33.971 -1.562 1
1 749 . 18 1 1 A 69 69 VAL C C 69 174.300 173.767 0.533 1
1 750 . 18 1 1 A 70 70 ARG N N 70 125.218 129.457 -4.239 1
1 751 . 18 1 1 A 70 70 ARG H H 70 8.926 9.127 -0.201 1
1 752 . 18 1 1 A 70 70 ARG CA C 70 54.404 54.784 -0.380 1
1 753 . 18 1 1 A 70 70 ARG HA H 70 5.665 4.866 0.799 1
1 754 . 18 1 1 A 70 70 ARG CB C 70 34.966 31.380 3.586 1
1 760 . 18 1 1 A 70 70 ARG C C 70 175.124 175.176 -0.052 1
1 764 . 18 1 1 A 71 71 PHE N N 71 120.657 120.530 0.127 1
1 765 . 18 1 1 A 71 71 PHE H H 71 8.780 8.801 -0.021 1
1 766 . 18 1 1 A 71 71 PHE CA C 71 55.969 56.322 -0.353 1
1 767 . 18 1 1 A 71 71 PHE HA H 71 5.082 5.020 0.062 1
1 768 . 18 1 1 A 71 71 PHE CB C 71 41.335 41.559 -0.224 1
1 780 . 18 1 1 A 71 71 PHE C C 71 171.920 172.001 -0.081 1
1 782 . 18 1 1 A 72 72 ILE N N 72 120.347 122.174 -1.827 1
1 783 . 18 1 1 A 72 72 ILE H H 72 8.714 8.778 -0.064 1
1 784 . 18 1 1 A 72 72 ILE CA C 72 57.669 57.899 -0.230 1
1 785 . 18 1 1 A 72 72 ILE HA H 72 4.469 4.300 0.169 1
1 786 . 18 1 1 A 72 72 ILE CB C 72 39.824 38.215 1.609 1
1 798 . 18 1 1 A 72 72 ILE C C 72 173.612 174.982 -1.370 1
1 800 . 18 1 1 A 73 73 PRO CA C 73 62.050 62.356 -0.306 1
1 801 . 18 1 1 A 73 73 PRO HA H 73 4.493 5.025 -0.532 1
1 802 . 18 1 1 A 73 73 PRO CB C 73 33.680 29.258 4.422 1
1 808 . 18 1 1 A 73 73 PRO C C 73 176.990 175.513 1.477 1
1 812 . 18 1 1 A 74 74 HIS N N 74 119.655 117.661 1.994 1
1 813 . 18 1 1 A 74 74 HIS H H 74 10.240 8.718 1.522 1
1 814 . 18 1 1 A 74 74 HIS CA C 74 54.660 53.798 0.862 1
1 815 . 18 1 1 A 74 74 HIS HA H 74 5.035 5.691 -0.656 1
1 816 . 18 1 1 A 74 74 HIS CB C 74 30.530 31.660 -1.130 1
1 822 . 18 1 1 A 74 74 HIS C C 74 173.624 174.140 -0.516 1
1 824 . 18 1 1 A 75 75 GLU N N 75 118.178 123.165 -4.987 1
1 825 . 18 1 1 A 75 75 GLU H H 75 7.772 8.842 -1.070 1
1 826 . 18 1 1 A 75 75 GLU CA C 75 54.166 54.267 -0.101 1
1 827 . 18 1 1 A 75 75 GLU HA H 75 4.654 4.836 -0.182 1
1 828 . 18 1 1 A 75 75 GLU CB C 75 33.422 33.710 -0.288 1
1 832 . 18 1 1 A 75 75 GLU C C 75 173.599 175.394 -1.795 1
1 835 . 18 1 1 A 76 76 ASN N N 76 116.760 117.457 -0.697 1
1 836 . 18 1 1 A 76 76 ASN H H 76 8.530 8.517 0.013 1
1 837 . 18 1 1 A 76 76 ASN CA C 76 53.486 51.763 1.723 1
1 838 . 18 1 1 A 76 76 ASN HA H 76 4.606 5.160 -0.554 1
1 839 . 18 1 1 A 76 76 ASN CB C 76 40.184 38.902 1.282 1
1 844 . 18 1 1 A 76 76 ASN C C 76 175.598 174.831 0.767 1
1 846 . 18 1 1 A 77 77 GLY N N 77 106.497 107.396 -0.899 1
1 847 . 18 1 1 A 77 77 GLY H H 77 9.152 7.517 1.635 1
1 848 . 18 1 1 A 77 77 GLY CA C 77 43.752 46.167 -2.415 1
1 849 . 18 1 1 A 77 77 GLY HA3 H 77 4.797 4.185 0.612 1
1 850 . 18 1 1 A 77 77 GLY C C 77 176.329 171.992 4.337 1
1 851 . 18 1 1 A 77 77 GLY HA2 H 77 3.897 4.160 -0.263 1
1 852 . 18 1 1 A 78 78 VAL N N 78 124.582 122.640 1.942 1
1 853 . 18 1 1 A 78 78 VAL H H 78 9.334 8.331 1.003 1
1 854 . 18 1 1 A 78 78 VAL CA C 78 64.642 60.724 3.918 1
1 855 . 18 1 1 A 78 78 VAL HA H 78 4.399 5.109 -0.710 1
1 856 . 18 1 1 A 78 78 VAL CB C 78 31.464 34.483 -3.019 1
1 866 . 18 1 1 A 78 78 VAL C C 78 176.269 175.044 1.225 1
1 867 . 18 1 1 A 79 79 HIS N N 79 129.160 125.172 3.988 1
1 868 . 18 1 1 A 79 79 HIS H H 79 9.854 9.425 0.429 1
1 869 . 18 1 1 A 79 79 HIS CA C 79 55.150 54.984 0.166 1
1 870 . 18 1 1 A 79 79 HIS HA H 79 4.921 5.469 -0.548 1
1 871 . 18 1 1 A 79 79 HIS CB C 79 30.772 32.575 -1.803 1
1 877 . 18 1 1 A 79 79 HIS C C 79 174.062 174.882 -0.820 1
1 879 . 18 1 1 A 80 80 THR N N 80 116.006 115.110 0.896 1
1 880 . 18 1 1 A 80 80 THR H H 80 8.526 8.914 -0.388 1
1 881 . 18 1 1 A 80 80 THR CA C 80 60.983 61.737 -0.754 1
1 882 . 18 1 1 A 80 80 THR HA H 80 5.380 5.268 0.112 1
1 883 . 18 1 1 A 80 80 THR CB C 80 70.590 71.518 -0.928 1
1 889 . 18 1 1 A 80 80 THR C C 80 173.671 173.541 0.130 1
1 890 . 18 1 1 A 81 81 ILE N N 81 127.414 128.679 -1.265 1
1 891 . 18 1 1 A 81 81 ILE H H 81 9.745 8.789 0.956 1
1 892 . 18 1 1 A 81 81 ILE CA C 81 60.037 61.025 -0.988 1
1 893 . 18 1 1 A 81 81 ILE HA H 81 4.867 4.334 0.533 1
1 894 . 18 1 1 A 81 81 ILE CB C 81 39.883 37.937 1.946 1
1 906 . 18 1 1 A 81 81 ILE C C 81 175.279 175.209 0.070 1
1 908 . 18 1 1 A 82 82 ASP N N 82 128.375 127.720 0.655 1
1 909 . 18 1 1 A 82 82 ASP H H 82 9.157 9.147 0.010 1
1 910 . 18 1 1 A 82 82 ASP CA C 82 53.084 52.848 0.236 1
1 911 . 18 1 1 A 82 82 ASP HA H 82 5.060 5.415 -0.355 1
1 912 . 18 1 1 A 82 82 ASP CB C 82 42.929 43.182 -0.253 1
1 914 . 18 1 1 A 82 82 ASP C C 82 175.923 174.796 1.127 1
1 916 . 18 1 1 A 83 83 VAL N N 83 125.651 125.837 -0.186 1
1 917 . 18 1 1 A 83 83 VAL H H 83 9.897 8.888 1.009 1
1 918 . 18 1 1 A 83 83 VAL CA C 83 62.407 61.530 0.877 1
1 919 . 18 1 1 A 83 83 VAL HA H 83 4.553 4.985 -0.432 1
1 920 . 18 1 1 A 83 83 VAL CB C 83 33.233 33.767 -0.534 1
1 930 . 18 1 1 A 83 83 VAL C C 83 173.327 174.824 -1.497 1
1 931 . 18 1 1 A 84 84 LYS N N 84 124.405 127.080 -2.675 1
1 932 . 18 1 1 A 84 84 LYS H H 84 8.874 8.802 0.072 1
1 933 . 18 1 1 A 84 84 LYS CA C 84 53.901 54.742 -0.841 1
1 934 . 18 1 1 A 84 84 LYS HA H 84 5.065 4.789 0.276 1
1 935 . 18 1 1 A 84 84 LYS CB C 84 36.851 34.536 2.315 1
1 943 . 18 1 1 A 84 84 LYS C C 84 174.760 174.219 0.541 1
1 948 . 18 1 1 A 85 85 PHE N N 85 120.871 125.775 -4.904 1
1 949 . 18 1 1 A 85 85 PHE H H 85 9.167 9.135 0.032 1
1 950 . 18 1 1 A 85 85 PHE CA C 85 56.014 57.403 -1.389 1
1 951 . 18 1 1 A 85 85 PHE HA H 85 5.157 4.860 0.297 1
1 952 . 18 1 1 A 85 85 PHE CB C 85 42.916 41.718 1.198 1
1 964 . 18 1 1 A 85 85 PHE C C 85 175.473 174.994 0.479 1
1 966 . 18 1 1 A 86 86 ASN N N 86 126.732 124.846 1.886 1
1 967 . 18 1 1 A 86 86 ASN H H 86 8.714 8.961 -0.247 1
1 968 . 18 1 1 A 86 86 ASN CA C 86 53.835 54.168 -0.333 1
1 969 . 18 1 1 A 86 86 ASN HA H 86 4.216 4.223 -0.007 1
1 970 . 18 1 1 A 86 86 ASN CB C 86 36.789 36.959 -0.170 1
1 975 . 18 1 1 A 86 86 ASN C C 86 175.700 175.681 0.019 1
1 977 . 18 1 1 A 87 87 GLY N N 87 102.449 104.531 -2.082 1
1 978 . 18 1 1 A 87 87 GLY H H 87 8.986 8.589 0.397 1
1 979 . 18 1 1 A 87 87 GLY CA C 87 45.490 46.358 -0.868 1
1 980 . 18 1 1 A 87 87 GLY HA3 H 87 4.223 3.900 0.323 1
1 981 . 18 1 1 A 87 87 GLY C C 87 174.149 173.563 0.586 1
1 982 . 18 1 1 A 87 87 GLY HA2 H 87 3.555 3.892 -0.337 1
1 983 . 18 1 1 A 88 88 SER N N 88 116.260 114.144 2.116 1
1 984 . 18 1 1 A 88 88 SER H H 88 7.670 7.700 -0.030 1
1 985 . 18 1 1 A 88 88 SER CA C 88 57.194 57.259 -0.065 1
1 986 . 18 1 1 A 88 88 SER HA H 88 4.935 4.833 0.102 1
1 987 . 18 1 1 A 88 88 SER CB C 88 65.421 66.235 -0.814 1
1 989 . 18 1 1 A 88 88 SER C C 88 173.491 173.050 0.441 1
1 991 . 18 1 1 A 89 89 HIS N N 89 124.290 126.018 -1.728 1
1 992 . 18 1 1 A 89 89 HIS H H 89 8.847 9.037 -0.190 1
1 993 . 18 1 1 A 89 89 HIS CA C 89 59.048 56.816 2.232 1
1 994 . 18 1 1 A 89 89 HIS HA H 89 4.543 4.738 -0.195 1
1 995 . 18 1 1 A 89 89 HIS CB C 89 32.463 29.568 2.895 1
1 1001 . 18 1 1 A 89 89 HIS C C 89 177.441 175.394 2.047 1
1 1003 . 18 1 1 A 90 90 VAL N N 90 116.253 122.461 -6.208 1
1 1004 . 18 1 1 A 90 90 VAL H H 90 8.283 8.042 0.241 1
1 1005 . 18 1 1 A 90 90 VAL CA C 90 60.279 62.342 -2.063 1
1 1006 . 18 1 1 A 90 90 VAL HA H 90 4.291 3.946 0.345 1
1 1007 . 18 1 1 A 90 90 VAL CB C 90 31.601 32.442 -0.841 1
1 1017 . 18 1 1 A 90 90 VAL C C 90 176.074 175.782 0.292 1
1 1018 . 18 1 1 A 91 91 VAL N N 91 123.139 124.459 -1.320 1
1 1019 . 18 1 1 A 91 91 VAL H H 91 8.910 8.486 0.424 1
1 1020 . 18 1 1 A 91 91 VAL CA C 91 66.030 63.588 2.442 1
1 1021 . 18 1 1 A 91 91 VAL HA H 91 3.632 3.759 -0.127 1
1 1022 . 18 1 1 A 91 91 VAL CB C 91 30.897 31.489 -0.592 1
1 1032 . 18 1 1 A 91 91 VAL C C 91 177.012 176.557 0.455 1
1 1033 . 18 1 1 A 92 92 GLY N N 92 116.727 117.620 -0.893 1
1 1034 . 18 1 1 A 92 92 GLY H H 92 8.396 8.746 -0.350 1
1 1035 . 18 1 1 A 92 92 GLY CA C 92 44.466 44.438 0.028 1
1 1036 . 18 1 1 A 92 92 GLY HA3 H 92 4.180 3.745 0.435 1
1 1037 . 18 1 1 A 92 92 GLY C C 92 172.077 173.336 -1.259 1
1 1038 . 18 1 1 A 92 92 GLY HA2 H 92 3.221 3.593 -0.372 1
1 1039 . 18 1 1 A 93 93 SER N N 93 112.885 116.929 -4.044 1
1 1040 . 18 1 1 A 93 93 SER H H 93 7.484 7.858 -0.374 1
1 1041 . 18 1 1 A 93 93 SER CA C 93 54.547 55.247 -0.700 1
1 1042 . 18 1 1 A 93 93 SER HA H 93 4.065 4.251 -0.186 1
1 1043 . 18 1 1 A 93 93 SER CB C 93 62.575 63.804 -1.229 1
1 1045 . 18 1 1 A 93 93 SER C C 93 174.608 172.811 1.797 1
1 1047 . 18 1 1 A 94 94 PRO CA C 94 62.477 62.315 0.162 1
1 1048 . 18 1 1 A 94 94 PRO HA H 94 5.491 4.639 0.852 1
1 1049 . 18 1 1 A 94 94 PRO CB C 94 34.106 32.111 1.995 1
1 1055 . 18 1 1 A 94 94 PRO C C 94 176.779 176.089 0.690 1
1 1059 . 18 1 1 A 95 95 PHE N N 95 123.133 120.231 2.902 1
1 1060 . 18 1 1 A 95 95 PHE H H 95 9.200 8.268 0.932 1
1 1061 . 18 1 1 A 95 95 PHE CA C 95 57.291 57.539 -0.248 1
1 1062 . 18 1 1 A 95 95 PHE HA H 95 4.581 4.846 -0.265 1
1 1063 . 18 1 1 A 95 95 PHE CB C 95 41.165 41.089 0.076 1
1 1075 . 18 1 1 A 95 95 PHE C C 95 175.687 175.704 -0.017 1
1 1077 . 18 1 1 A 96 96 LYS N N 96 122.134 119.806 2.328 1
1 1078 . 18 1 1 A 96 96 LYS H H 96 8.790 8.678 0.112 1
1 1079 . 18 1 1 A 96 96 LYS CA C 96 55.249 55.126 0.123 1
1 1080 . 18 1 1 A 96 96 LYS HA H 96 5.276 5.239 0.037 1
1 1081 . 18 1 1 A 96 96 LYS CB C 96 33.836 35.364 -1.528 1
1 1089 . 18 1 1 A 96 96 LYS C C 96 176.515 175.440 1.075 1
1 1094 . 18 1 1 A 97 97 VAL N N 97 117.706 117.647 0.059 1
1 1095 . 18 1 1 A 97 97 VAL H H 97 8.873 8.729 0.144 1
1 1096 . 18 1 1 A 97 97 VAL CA C 97 59.188 59.077 0.111 1
1 1097 . 18 1 1 A 97 97 VAL HA H 97 4.917 4.957 -0.040 1
1 1098 . 18 1 1 A 97 97 VAL CB C 97 35.185 35.948 -0.763 1
1 1108 . 18 1 1 A 97 97 VAL C C 97 173.801 173.632 0.169 1
1 1109 . 18 1 1 A 98 98 ARG N N 98 125.203 122.688 2.515 1
1 1110 . 18 1 1 A 98 98 ARG H H 98 8.826 8.482 0.344 1
1 1111 . 18 1 1 A 98 98 ARG CA C 98 56.337 54.456 1.881 1
1 1112 . 18 1 1 A 98 98 ARG HA H 98 4.610 5.066 -0.456 1
1 1113 . 18 1 1 A 98 98 ARG CB C 98 32.031 33.537 -1.506 1
1 1119 . 18 1 1 A 98 98 ARG C C 98 174.438 175.517 -1.079 1
1 1123 . 18 1 1 A 99 99 VAL N N 99 127.382 126.975 0.407 1
1 1124 . 18 1 1 A 99 99 VAL H H 99 8.144 8.868 -0.724 1
1 1125 . 18 1 1 A 99 99 VAL CA C 99 61.216 62.446 -1.230 1
1 1126 . 18 1 1 A 99 99 VAL HA H 99 4.115 4.370 -0.255 1
1 1127 . 18 1 1 A 99 99 VAL CB C 99 32.590 31.903 0.687 1
1 1137 . 18 1 1 A 99 99 VAL C C 99 176.994 175.066 1.928 1
1 1138 . 18 1 1 A 100 100 GLY N N 100 117.424 113.759 3.665 1
1 1139 . 18 1 1 A 100 100 GLY H H 100 8.682 8.222 0.460 1
1 1140 . 18 1 1 A 100 100 GLY CA C 100 44.650 45.716 -1.066 1
1 1141 . 18 1 1 A 100 100 GLY HA3 H 100 4.386 4.161 0.225 1
1 1142 . 18 1 1 A 100 100 GLY C C 100 173.180 172.705 0.475 1
1 1143 . 18 1 1 A 100 100 GLY HA2 H 100 3.954 4.158 -0.204 1
1 1144 . 18 1 1 A 101 101 GLU N N 101 119.495 118.735 0.760 1
1 1145 . 18 1 1 A 101 101 GLU H H 101 8.383 8.439 -0.056 1
1 1146 . 18 1 1 A 101 101 GLU CA C 101 54.168 54.085 0.083 1
1 1147 . 18 1 1 A 101 101 GLU HA H 101 4.661 4.862 -0.201 1
1 1148 . 18 1 1 A 101 101 GLU CB C 101 29.836 30.915 -1.079 1
1 1152 . 18 1 1 A 101 101 GLU C C 101 175.458 176.536 -1.078 1
1 1155 . 18 1 1 A 102 102 PRO CA C 102 63.897 65.163 -1.266 1
1 1156 . 18 1 1 A 102 102 PRO HA H 102 4.361 4.395 -0.034 1
1 1157 . 18 1 1 A 102 102 PRO CB C 102 31.946 32.141 -0.195 1
1 1163 . 18 1 1 A 102 102 PRO C C 102 177.509 176.444 1.065 1
1 1167 . 18 1 1 A 103 103 GLY N N 103 109.378 103.289 6.089 1
1 1168 . 18 1 1 A 103 103 GLY H H 103 8.552 7.660 0.892 1
1 1169 . 18 1 1 A 103 103 GLY CA C 103 45.263 45.023 0.240 1
1 1170 . 18 1 1 A 103 103 GLY HA3 H 103 3.962 4.081 -0.119 1
1 1171 . 18 1 1 A 103 103 GLY C C 103 174.277 172.350 1.927 1
1 1172 . 18 1 1 A 103 103 GLY HA2 H 103 3.962 4.080 -0.118 1
1 1173 . 18 1 1 A 104 104 GLN N N 104 119.735 120.517 -0.782 1
1 1174 . 18 1 1 A 104 104 GLN H H 104 8.096 8.509 -0.413 1
1 1175 . 18 1 1 A 104 104 GLN CA C 104 55.924 54.622 1.302 1
1 1176 . 18 1 1 A 104 104 GLN HA H 104 4.339 4.990 -0.651 1
1 1177 . 18 1 1 A 104 104 GLN CB C 104 29.622 31.114 -1.492 1
1 1184 . 18 1 1 A 104 104 GLN C C 104 175.669 175.071 0.598 1
1 1187 . 18 1 1 A 105 105 ALA N N 105 125.603 126.560 -0.957 1
1 1188 . 18 1 1 A 105 105 ALA H H 105 8.389 8.796 -0.407 1
1 1189 . 18 1 1 A 105 105 ALA CA C 105 52.416 50.874 1.542 1
1 1190 . 18 1 1 A 105 105 ALA HA H 105 4.385 5.026 -0.641 1
1 1191 . 18 1 1 A 105 105 ALA CB C 105 19.608 22.289 -2.681 1
1 1195 . 18 1 1 A 105 105 ALA C C 105 176.971 175.852 1.119 1
1 1 . 19 1 1 A 8 8 SER CA C 8 59.066 58.532 0.534 1
1 2 . 19 1 1 A 8 8 SER HA H 8 4.444 4.581 -0.137 1
1 3 . 19 1 1 A 8 8 SER CB C 8 63.749 64.130 -0.381 1
1 5 . 19 1 1 A 8 8 SER C C 8 174.832 173.373 1.459 1
1 7 . 19 1 1 A 9 9 ASP N N 9 122.244 118.916 3.328 1
1 8 . 19 1 1 A 9 9 ASP H H 9 8.460 8.897 -0.437 1
1 9 . 19 1 1 A 9 9 ASP CA C 9 54.943 52.218 2.725 1
1 10 . 19 1 1 A 9 9 ASP HA H 9 4.730 5.420 -0.690 1
1 11 . 19 1 1 A 9 9 ASP CB C 9 41.125 44.709 -3.584 1
1 13 . 19 1 1 A 9 9 ASP C C 9 176.845 174.603 2.242 1
1 15 . 19 1 1 A 10 10 ASP N N 10 120.929 121.476 -0.547 1
1 16 . 19 1 1 A 10 10 ASP H H 10 8.121 9.043 -0.922 1
1 17 . 19 1 1 A 10 10 ASP CA C 10 55.841 53.938 1.903 1
1 18 . 19 1 1 A 10 10 ASP HA H 10 4.523 4.838 -0.315 1
1 19 . 19 1 1 A 10 10 ASP CB C 10 41.834 39.659 2.175 1
1 21 . 19 1 1 A 10 10 ASP C C 10 177.047 176.209 0.838 1
1 23 . 19 1 1 A 11 11 ALA N N 11 122.815 122.401 0.414 1
1 24 . 19 1 1 A 11 11 ALA H H 11 8.520 8.338 0.182 1
1 25 . 19 1 1 A 11 11 ALA CA C 11 54.828 53.263 1.565 1
1 26 . 19 1 1 A 11 11 ALA HA H 11 4.004 4.128 -0.124 1
1 27 . 19 1 1 A 11 11 ALA CB C 11 19.454 19.444 0.010 1
1 31 . 19 1 1 A 11 11 ALA C C 11 179.280 178.633 0.647 1
1 32 . 19 1 1 A 12 12 ARG N N 12 115.782 116.431 -0.649 1
1 33 . 19 1 1 A 12 12 ARG H H 12 8.159 8.201 -0.042 1
1 34 . 19 1 1 A 12 12 ARG CA C 12 57.578 57.525 0.053 1
1 35 . 19 1 1 A 12 12 ARG HA H 12 4.310 4.177 0.133 1
1 36 . 19 1 1 A 12 12 ARG CB C 12 29.817 29.809 0.008 1
1 42 . 19 1 1 A 12 12 ARG C C 12 176.412 176.629 -0.217 1
1 46 . 19 1 1 A 13 13 ARG N N 13 117.438 117.420 0.018 1
1 47 . 19 1 1 A 13 13 ARG H H 13 7.858 7.613 0.245 1
1 48 . 19 1 1 A 13 13 ARG CA C 13 56.855 54.823 2.032 1
1 49 . 19 1 1 A 13 13 ARG HA H 13 4.183 4.456 -0.273 1
1 50 . 19 1 1 A 13 13 ARG CB C 13 30.976 29.652 1.324 1
1 56 . 19 1 1 A 13 13 ARG C C 13 176.451 174.919 1.532 1
1 60 . 19 1 1 A 14 14 LEU N N 14 121.077 121.548 -0.471 1
1 61 . 19 1 1 A 14 14 LEU H H 14 6.925 7.552 -0.627 1
1 62 . 19 1 1 A 14 14 LEU CA C 14 56.582 53.335 3.247 1
1 63 . 19 1 1 A 14 14 LEU HA H 14 4.394 4.464 -0.070 1
1 64 . 19 1 1 A 14 14 LEU CB C 14 42.968 43.493 -0.525 1
1 76 . 19 1 1 A 14 14 LEU C C 14 177.296 175.861 1.435 1
1 78 . 19 1 1 A 15 15 THR N N 15 115.028 120.472 -5.444 1
1 79 . 19 1 1 A 15 15 THR H H 15 8.716 8.835 -0.119 1
1 80 . 19 1 1 A 15 15 THR CA C 15 61.169 61.646 -0.477 1
1 81 . 19 1 1 A 15 15 THR HA H 15 4.667 5.057 -0.390 1
1 82 . 19 1 1 A 15 15 THR CB C 15 71.348 71.004 0.344 1
1 88 . 19 1 1 A 15 15 THR C C 15 173.454 173.754 -0.300 1
1 89 . 19 1 1 A 16 16 VAL N N 16 126.736 126.336 0.400 1
1 90 . 19 1 1 A 16 16 VAL H H 16 8.727 8.770 -0.043 1
1 91 . 19 1 1 A 16 16 VAL CA C 16 62.600 61.375 1.225 1
1 92 . 19 1 1 A 16 16 VAL HA H 16 4.539 4.569 -0.030 1
1 93 . 19 1 1 A 16 16 VAL CB C 16 32.521 33.237 -0.716 1
1 103 . 19 1 1 A 16 16 VAL C C 16 175.348 174.874 0.474 1
1 104 . 19 1 1 A 17 17 MET N N 17 126.444 124.398 2.046 1
1 105 . 19 1 1 A 17 17 MET H H 17 9.255 8.432 0.823 1
1 106 . 19 1 1 A 17 17 MET CA C 17 54.872 54.095 0.777 1
1 107 . 19 1 1 A 17 17 MET HA H 17 4.806 4.818 -0.012 1
1 108 . 19 1 1 A 17 17 MET CB C 17 35.443 36.229 -0.786 1
1 116 . 19 1 1 A 17 17 MET C C 17 174.681 175.274 -0.593 1
1 119 . 19 1 1 A 18 18 SER N N 18 112.443 112.418 0.025 1
1 120 . 19 1 1 A 18 18 SER H H 18 8.568 8.526 0.042 1
1 121 . 19 1 1 A 18 18 SER CA C 18 58.711 58.779 -0.068 1
1 122 . 19 1 1 A 18 18 SER HA H 18 4.018 3.969 0.049 1
1 123 . 19 1 1 A 18 18 SER CB C 18 62.009 61.982 0.027 1
1 125 . 19 1 1 A 18 18 SER C C 18 173.373 172.899 0.474 1
1 127 . 19 1 1 A 19 19 LEU N N 19 122.011 121.283 0.728 1
1 128 . 19 1 1 A 19 19 LEU H H 19 7.996 7.709 0.287 1
1 129 . 19 1 1 A 19 19 LEU CA C 19 54.978 54.077 0.901 1
1 130 . 19 1 1 A 19 19 LEU HA H 19 4.283 4.742 -0.459 1
1 131 . 19 1 1 A 19 19 LEU CB C 19 41.955 43.815 -1.860 1
1 143 . 19 1 1 A 19 19 LEU C C 19 176.135 175.308 0.827 1
1 145 . 19 1 1 A 20 20 GLN N N 20 127.739 126.549 1.190 1
1 146 . 19 1 1 A 20 20 GLN H H 20 8.669 8.646 0.023 1
1 147 . 19 1 1 A 20 20 GLN CA C 20 55.617 55.973 -0.356 1
1 148 . 19 1 1 A 20 20 GLN HA H 20 4.400 4.501 -0.101 1
1 149 . 19 1 1 A 20 20 GLN CB C 20 29.298 30.084 -0.786 1
1 156 . 19 1 1 A 20 20 GLN C C 20 175.033 175.094 -0.061 1
1 159 . 19 1 1 A 21 21 GLU N N 21 121.152 123.391 -2.239 1
1 160 . 19 1 1 A 21 21 GLU H H 21 8.546 9.251 -0.705 1
1 161 . 19 1 1 A 21 21 GLU CA C 21 57.598 57.518 0.080 1
1 162 . 19 1 1 A 21 21 GLU HA H 21 4.310 4.505 -0.195 1
1 163 . 19 1 1 A 21 21 GLU CB C 21 30.764 31.375 -0.611 1
1 167 . 19 1 1 A 21 21 GLU C C 21 176.581 177.386 -0.805 1
1 170 . 19 1 1 A 22 22 SER N N 22 113.328 109.678 3.650 1
1 171 . 19 1 1 A 22 22 SER H H 22 8.018 8.007 0.011 1
1 172 . 19 1 1 A 22 22 SER CA C 22 57.682 56.857 0.825 1
1 173 . 19 1 1 A 22 22 SER HA H 22 4.997 4.751 0.246 1
1 174 . 19 1 1 A 22 22 SER CB C 22 64.489 63.115 1.374 1
1 176 . 19 1 1 A 22 22 SER C C 22 174.062 175.329 -1.267 1
1 178 . 19 1 1 A 23 23 GLY N N 23 109.317 109.657 -0.340 1
1 179 . 19 1 1 A 23 23 GLY H H 23 8.828 7.882 0.946 1
1 180 . 19 1 1 A 23 23 GLY CA C 23 45.609 45.547 0.062 1
1 181 . 19 1 1 A 23 23 GLY HA3 H 23 4.116 4.081 0.035 1
1 182 . 19 1 1 A 23 23 GLY C C 23 174.629 173.923 0.706 1
1 183 . 19 1 1 A 23 23 GLY HA2 H 23 3.832 4.077 -0.245 1
1 184 . 19 1 1 A 24 24 LEU N N 24 120.545 120.357 0.188 1
1 185 . 19 1 1 A 24 24 LEU H H 24 7.559 7.409 0.150 1
1 186 . 19 1 1 A 24 24 LEU CA C 24 55.569 54.108 1.461 1
1 187 . 19 1 1 A 24 24 LEU HA H 24 4.310 4.534 -0.224 1
1 188 . 19 1 1 A 24 24 LEU CB C 24 42.978 42.563 0.415 1
1 200 . 19 1 1 A 24 24 LEU C C 24 176.704 175.774 0.930 1
1 202 . 19 1 1 A 25 25 LYS N N 25 122.188 119.888 2.300 1
1 203 . 19 1 1 A 25 25 LYS H H 25 8.828 8.697 0.131 1
1 204 . 19 1 1 A 25 25 LYS CA C 25 54.686 54.849 -0.163 1
1 205 . 19 1 1 A 25 25 LYS HA H 25 4.676 4.925 -0.249 1
1 206 . 19 1 1 A 25 25 LYS CB C 25 35.736 35.541 0.195 1
1 214 . 19 1 1 A 25 25 LYS C C 25 175.885 176.249 -0.364 1
1 219 . 19 1 1 A 26 26 VAL N N 26 121.689 124.880 -3.191 1
1 220 . 19 1 1 A 26 26 VAL H H 26 8.503 8.495 0.008 1
1 221 . 19 1 1 A 26 26 VAL CA C 26 64.069 62.728 1.341 1
1 222 . 19 1 1 A 26 26 VAL HA H 26 3.218 3.996 -0.778 1
1 223 . 19 1 1 A 26 26 VAL CB C 26 31.636 31.711 -0.075 1
1 233 . 19 1 1 A 26 26 VAL C C 26 175.837 175.849 -0.012 1
1 234 . 19 1 1 A 27 27 ASN N N 27 116.772 118.151 -1.379 1
1 235 . 19 1 1 A 27 27 ASN H H 27 8.682 9.029 -0.347 1
1 236 . 19 1 1 A 27 27 ASN CA C 27 55.183 54.368 0.815 1
1 237 . 19 1 1 A 27 27 ASN HA H 27 4.138 4.395 -0.257 1
1 238 . 19 1 1 A 27 27 ASN CB C 27 37.242 37.169 0.073 1
1 243 . 19 1 1 A 27 27 ASN C C 27 173.308 173.754 -0.446 1
1 245 . 19 1 1 A 28 28 GLN N N 28 118.793 114.346 4.447 1
1 246 . 19 1 1 A 28 28 GLN H H 28 7.544 7.632 -0.088 1
1 247 . 19 1 1 A 28 28 GLN CA C 28 52.212 53.222 -1.010 1
1 248 . 19 1 1 A 28 28 GLN HA H 28 4.893 4.911 -0.018 1
1 249 . 19 1 1 A 28 28 GLN CB C 28 30.060 31.023 -0.963 1
1 256 . 19 1 1 A 28 28 GLN C C 28 173.078 173.028 0.050 1
1 259 . 19 1 1 A 29 29 PRO CA C 29 63.563 62.669 0.894 1
1 260 . 19 1 1 A 29 29 PRO HA H 29 4.294 4.623 -0.329 1
1 261 . 19 1 1 A 29 29 PRO CB C 29 31.874 31.701 0.173 1
1 267 . 19 1 1 A 29 29 PRO C C 29 175.250 175.805 -0.555 1
1 271 . 19 1 1 A 30 30 ALA N N 30 128.803 127.384 1.419 1
1 272 . 19 1 1 A 30 30 ALA H H 30 8.887 8.461 0.426 1
1 273 . 19 1 1 A 30 30 ALA CA C 30 50.558 50.340 0.218 1
1 274 . 19 1 1 A 30 30 ALA HA H 30 4.539 4.871 -0.332 1
1 275 . 19 1 1 A 30 30 ALA CB C 30 21.602 20.807 0.795 1
1 279 . 19 1 1 A 30 30 ALA C C 30 175.510 175.510 0.000 1
1 280 . 19 1 1 A 31 31 SER N N 31 112.512 117.789 -5.277 1
1 281 . 19 1 1 A 31 31 SER H H 31 8.214 8.859 -0.645 1
1 282 . 19 1 1 A 31 31 SER CA C 31 56.701 56.797 -0.096 1
1 283 . 19 1 1 A 31 31 SER HA H 31 5.832 5.494 0.338 1
1 284 . 19 1 1 A 31 31 SER CB C 31 66.721 65.802 0.919 1
1 286 . 19 1 1 A 31 31 SER C C 31 173.379 172.340 1.039 1
1 288 . 19 1 1 A 32 32 PHE N N 32 119.232 118.955 0.277 1
1 289 . 19 1 1 A 32 32 PHE H H 32 8.798 8.096 0.702 1
1 290 . 19 1 1 A 32 32 PHE CA C 32 56.218 55.737 0.481 1
1 291 . 19 1 1 A 32 32 PHE HA H 32 4.925 5.321 -0.396 1
1 292 . 19 1 1 A 32 32 PHE CB C 32 39.752 41.500 -1.748 1
1 304 . 19 1 1 A 32 32 PHE C C 32 172.709 172.049 0.660 1
1 306 . 19 1 1 A 33 33 ALA N N 33 122.788 122.284 0.504 1
1 307 . 19 1 1 A 33 33 ALA H H 33 8.827 8.844 -0.017 1
1 308 . 19 1 1 A 33 33 ALA CA C 33 50.616 50.154 0.462 1
1 309 . 19 1 1 A 33 33 ALA HA H 33 5.654 5.471 0.183 1
1 310 . 19 1 1 A 33 33 ALA CB C 33 22.616 20.764 1.852 1
1 314 . 19 1 1 A 33 33 ALA C C 33 175.770 175.890 -0.120 1
1 315 . 19 1 1 A 34 34 ILE N N 34 118.542 123.521 -4.979 1
1 316 . 19 1 1 A 34 34 ILE H H 34 9.194 9.494 -0.300 1
1 317 . 19 1 1 A 34 34 ILE CA C 34 59.486 60.742 -1.256 1
1 318 . 19 1 1 A 34 34 ILE HA H 34 4.978 4.653 0.325 1
1 319 . 19 1 1 A 34 34 ILE CB C 34 42.577 38.747 3.830 1
1 331 . 19 1 1 A 34 34 ILE C C 34 174.924 174.814 0.110 1
1 333 . 19 1 1 A 35 35 ARG N N 35 126.774 128.435 -1.661 1
1 334 . 19 1 1 A 35 35 ARG H H 35 9.038 9.097 -0.059 1
1 335 . 19 1 1 A 35 35 ARG CA C 35 54.096 55.858 -1.762 1
1 336 . 19 1 1 A 35 35 ARG HA H 35 5.283 4.795 0.488 1
1 337 . 19 1 1 A 35 35 ARG CB C 35 32.039 31.334 0.705 1
1 343 . 19 1 1 A 35 35 ARG C C 35 175.959 174.967 0.992 1
1 347 . 19 1 1 A 36 36 LEU N N 36 123.887 127.692 -3.805 1
1 348 . 19 1 1 A 36 36 LEU H H 36 8.648 8.648 0.000 1
1 349 . 19 1 1 A 36 36 LEU CA C 36 56.318 53.707 2.611 1
1 350 . 19 1 1 A 36 36 LEU HA H 36 4.037 4.803 -0.766 1
1 351 . 19 1 1 A 36 36 LEU CB C 36 41.028 43.117 -2.089 1
1 363 . 19 1 1 A 36 36 LEU C C 36 177.292 176.352 0.940 1
1 365 . 19 1 1 A 37 37 ASN N N 37 115.087 123.265 -8.178 1
1 366 . 19 1 1 A 37 37 ASN H H 37 8.594 8.917 -0.323 1
1 367 . 19 1 1 A 37 37 ASN CA C 37 54.182 53.130 1.052 1
1 368 . 19 1 1 A 37 37 ASN HA H 37 4.407 4.834 -0.427 1
1 369 . 19 1 1 A 37 37 ASN CB C 37 37.687 38.598 -0.911 1
1 374 . 19 1 1 A 37 37 ASN C C 37 176.277 175.341 0.936 1
1 376 . 19 1 1 A 38 38 GLY N N 38 106.329 107.340 -1.011 1
1 377 . 19 1 1 A 38 38 GLY H H 38 9.506 7.902 1.604 1
1 378 . 19 1 1 A 38 38 GLY CA C 38 45.290 45.311 -0.021 1
1 379 . 19 1 1 A 38 38 GLY HA3 H 38 4.156 4.051 0.105 1
1 380 . 19 1 1 A 38 38 GLY C C 38 174.483 174.197 0.286 1
1 381 . 19 1 1 A 38 38 GLY HA2 H 38 3.617 4.038 -0.421 1
1 382 . 19 1 1 A 39 39 ALA N N 39 124.015 123.380 0.635 1
1 383 . 19 1 1 A 39 39 ALA H H 39 7.483 7.850 -0.367 1
1 384 . 19 1 1 A 39 39 ALA CA C 39 52.396 51.179 1.217 1
1 385 . 19 1 1 A 39 39 ALA HA H 39 4.280 4.382 -0.102 1
1 386 . 19 1 1 A 39 39 ALA CB C 39 20.424 19.810 0.614 1
1 390 . 19 1 1 A 39 39 ALA C C 39 176.275 176.618 -0.343 1
1 391 . 19 1 1 A 40 40 LYS N N 40 119.513 122.938 -3.425 1
1 392 . 19 1 1 A 40 40 LYS H H 40 8.685 8.800 -0.115 1
1 393 . 19 1 1 A 40 40 LYS CA C 40 54.696 54.881 -0.185 1
1 394 . 19 1 1 A 40 40 LYS HA H 40 4.811 5.329 -0.518 1
1 395 . 19 1 1 A 40 40 LYS CB C 40 34.324 33.802 0.522 1
1 403 . 19 1 1 A 40 40 LYS C C 40 176.004 176.507 -0.503 1
1 408 . 19 1 1 A 41 41 GLY N N 41 111.941 110.757 1.184 1
1 409 . 19 1 1 A 41 41 GLY H H 41 8.398 8.535 -0.137 1
1 410 . 19 1 1 A 41 41 GLY CA C 41 45.887 46.120 -0.233 1
1 411 . 19 1 1 A 41 41 GLY HA3 H 41 3.722 4.114 -0.392 1
1 412 . 19 1 1 A 41 41 GLY C C 41 171.021 170.401 0.620 1
1 413 . 19 1 1 A 41 41 GLY HA2 H 41 3.722 3.821 -0.099 1
1 414 . 19 1 1 A 42 42 LYS N N 42 119.600 123.888 -4.288 1
1 415 . 19 1 1 A 42 42 LYS H H 42 7.293 8.004 -0.711 1
1 416 . 19 1 1 A 42 42 LYS CA C 42 54.522 54.706 -0.184 1
1 417 . 19 1 1 A 42 42 LYS HA H 42 4.467 4.831 -0.364 1
1 418 . 19 1 1 A 42 42 LYS CB C 42 34.979 36.001 -1.022 1
1 426 . 19 1 1 A 42 42 LYS C C 42 175.675 174.145 1.530 1
1 431 . 19 1 1 A 43 43 ILE N N 43 127.421 127.738 -0.317 1
1 432 . 19 1 1 A 43 43 ILE H H 43 8.706 8.773 -0.067 1
1 433 . 19 1 1 A 43 43 ILE CA C 43 60.336 60.141 0.195 1
1 434 . 19 1 1 A 43 43 ILE HA H 43 4.695 4.623 0.072 1
1 435 . 19 1 1 A 43 43 ILE CB C 43 39.322 38.093 1.229 1
1 447 . 19 1 1 A 43 43 ILE C C 43 174.542 174.594 -0.052 1
1 449 . 19 1 1 A 44 44 ASP N N 44 127.995 127.539 0.456 1
1 450 . 19 1 1 A 44 44 ASP H H 44 8.861 8.960 -0.099 1
1 451 . 19 1 1 A 44 44 ASP CA C 44 53.245 52.971 0.274 1
1 452 . 19 1 1 A 44 44 ASP HA H 44 4.817 5.319 -0.502 1
1 453 . 19 1 1 A 44 44 ASP CB C 44 44.577 43.105 1.472 1
1 455 . 19 1 1 A 44 44 ASP C C 44 173.768 174.768 -1.000 1
1 457 . 19 1 1 A 45 45 ALA N N 45 127.601 126.236 1.365 1
1 458 . 19 1 1 A 45 45 ALA H H 45 8.819 9.119 -0.300 1
1 459 . 19 1 1 A 45 45 ALA CA C 45 50.180 50.709 -0.529 1
1 460 . 19 1 1 A 45 45 ALA HA H 45 5.859 5.487 0.372 1
1 461 . 19 1 1 A 45 45 ALA CB C 45 21.379 22.379 -1.000 1
1 465 . 19 1 1 A 45 45 ALA C C 45 175.393 175.902 -0.509 1
1 466 . 19 1 1 A 46 46 LYS N N 46 122.427 121.941 0.486 1
1 467 . 19 1 1 A 46 46 LYS H H 46 8.723 8.374 0.349 1
1 468 . 19 1 1 A 46 46 LYS CA C 46 55.090 55.048 0.042 1
1 469 . 19 1 1 A 46 46 LYS HA H 46 5.057 4.885 0.172 1
1 470 . 19 1 1 A 46 46 LYS CB C 46 37.534 36.305 1.229 1
1 478 . 19 1 1 A 46 46 LYS C C 46 173.473 174.470 -0.997 1
1 483 . 19 1 1 A 47 47 VAL N N 47 120.177 122.661 -2.484 1
1 484 . 19 1 1 A 47 47 VAL H H 47 8.989 8.735 0.254 1
1 485 . 19 1 1 A 47 47 VAL CA C 47 59.152 60.422 -1.270 1
1 486 . 19 1 1 A 47 47 VAL HA H 47 4.875 4.611 0.264 1
1 487 . 19 1 1 A 47 47 VAL CB C 47 34.502 33.111 1.391 1
1 497 . 19 1 1 A 47 47 VAL C C 47 173.786 174.277 -0.491 1
1 498 . 19 1 1 A 48 48 HIS N N 48 127.949 128.584 -0.635 1
1 499 . 19 1 1 A 48 48 HIS H H 48 9.661 9.227 0.434 1
1 500 . 19 1 1 A 48 48 HIS CA C 48 53.917 54.845 -0.928 1
1 501 . 19 1 1 A 48 48 HIS HA H 48 5.238 5.201 0.037 1
1 502 . 19 1 1 A 48 48 HIS CB C 48 30.549 33.390 -2.841 1
1 508 . 19 1 1 A 48 48 HIS C C 48 175.556 174.555 1.001 1
1 510 . 19 1 1 A 49 49 SER N N 49 121.639 115.607 6.032 1
1 511 . 19 1 1 A 49 49 SER H H 49 9.114 8.702 0.412 1
1 512 . 19 1 1 A 49 49 SER CA C 49 56.693 55.908 0.785 1
1 513 . 19 1 1 A 49 49 SER HA H 49 4.391 4.832 -0.441 1
1 514 . 19 1 1 A 49 49 SER CB C 49 63.160 66.555 -3.395 1
1 516 . 19 1 1 A 49 49 SER C C 49 174.390 174.418 -0.028 1
1 518 . 19 1 1 A 50 50 PRO CA C 50 65.732 64.351 1.381 1
1 519 . 19 1 1 A 50 50 PRO HA H 50 4.247 4.474 -0.227 1
1 520 . 19 1 1 A 50 50 PRO CB C 50 31.516 31.789 -0.273 1
1 526 . 19 1 1 A 50 50 PRO C C 50 177.969 177.451 0.518 1
1 530 . 19 1 1 A 51 51 SER N N 51 110.808 110.228 0.580 1
1 531 . 19 1 1 A 51 51 SER H H 51 8.539 7.782 0.757 1
1 532 . 19 1 1 A 51 51 SER CA C 51 59.311 58.889 0.422 1
1 533 . 19 1 1 A 51 51 SER HA H 51 4.331 4.336 -0.005 1
1 534 . 19 1 1 A 51 51 SER CB C 51 62.767 64.513 -1.746 1
1 536 . 19 1 1 A 51 51 SER C C 51 175.339 175.231 0.108 1
1 538 . 19 1 1 A 52 52 GLY N N 52 110.692 110.899 -0.207 1
1 539 . 19 1 1 A 52 52 GLY H H 52 8.181 7.971 0.210 1
1 540 . 19 1 1 A 52 52 GLY CA C 52 44.862 45.461 -0.599 1
1 541 . 19 1 1 A 52 52 GLY HA3 H 52 4.444 4.022 0.422 1
1 542 . 19 1 1 A 52 52 GLY C C 52 174.389 174.093 0.296 1
1 543 . 19 1 1 A 52 52 GLY HA2 H 52 3.634 4.008 -0.374 1
1 544 . 19 1 1 A 53 53 ALA N N 53 124.417 122.758 1.659 1
1 545 . 19 1 1 A 53 53 ALA H H 53 7.419 7.797 -0.378 1
1 546 . 19 1 1 A 53 53 ALA CA C 53 52.538 50.205 2.333 1
1 547 . 19 1 1 A 53 53 ALA HA H 53 4.373 4.736 -0.363 1
1 548 . 19 1 1 A 53 53 ALA CB C 53 19.207 22.083 -2.876 1
1 552 . 19 1 1 A 53 53 ALA C C 53 176.519 175.848 0.671 1
1 553 . 19 1 1 A 54 54 VAL N N 54 121.228 121.224 0.004 1
1 554 . 19 1 1 A 54 54 VAL H H 54 8.429 8.773 -0.344 1
1 555 . 19 1 1 A 54 54 VAL CA C 54 60.672 61.284 -0.612 1
1 556 . 19 1 1 A 54 54 VAL HA H 54 4.980 4.656 0.324 1
1 557 . 19 1 1 A 54 54 VAL CB C 54 33.933 34.634 -0.701 1
1 567 . 19 1 1 A 54 54 VAL C C 54 175.443 174.765 0.678 1
1 568 . 19 1 1 A 55 55 GLU N N 55 126.290 126.309 -0.019 1
1 569 . 19 1 1 A 55 55 GLU H H 55 8.640 8.870 -0.230 1
1 570 . 19 1 1 A 55 55 GLU CA C 55 54.306 54.221 0.085 1
1 571 . 19 1 1 A 55 55 GLU HA H 55 4.754 4.788 -0.034 1
1 572 . 19 1 1 A 55 55 GLU CB C 55 33.612 33.060 0.552 1
1 576 . 19 1 1 A 55 55 GLU C C 55 175.073 175.722 -0.649 1
1 579 . 19 1 1 A 56 56 GLU N N 56 123.200 122.054 1.146 1
1 580 . 19 1 1 A 56 56 GLU H H 56 8.878 8.748 0.130 1
1 581 . 19 1 1 A 56 56 GLU CA C 56 56.966 56.720 0.246 1
1 582 . 19 1 1 A 56 56 GLU HA H 56 4.479 4.606 -0.127 1
1 583 . 19 1 1 A 56 56 GLU CB C 56 30.258 30.565 -0.307 1
1 587 . 19 1 1 A 56 56 GLU C C 56 177.592 176.340 1.252 1
1 590 . 19 1 1 A 57 57 CYS N N 57 121.919 122.453 -0.534 1
1 591 . 19 1 1 A 57 57 CYS H H 57 8.496 8.728 -0.232 1
1 592 . 19 1 1 A 57 57 CYS CA C 57 59.030 57.790 1.240 1
1 593 . 19 1 1 A 57 57 CYS HA H 57 4.690 5.218 -0.528 1
1 594 . 19 1 1 A 57 57 CYS CB C 57 29.620 28.985 0.635 1
1 596 . 19 1 1 A 57 57 CYS C C 57 173.871 174.387 -0.516 1
1 598 . 19 1 1 A 58 58 HIS N N 58 123.415 124.473 -1.058 1
1 599 . 19 1 1 A 58 58 HIS H H 58 8.961 8.591 0.370 1
1 600 . 19 1 1 A 58 58 HIS CA C 58 56.751 57.290 -0.539 1
1 601 . 19 1 1 A 58 58 HIS HA H 58 4.725 4.520 0.205 1
1 602 . 19 1 1 A 58 58 HIS CB C 58 31.813 30.079 1.734 1
1 608 . 19 1 1 A 58 58 HIS C C 58 174.903 173.587 1.316 1
1 610 . 19 1 1 A 59 59 VAL N N 59 128.900 129.184 -0.284 1
1 611 . 19 1 1 A 59 59 VAL H H 59 8.521 9.219 -0.698 1
1 612 . 19 1 1 A 59 59 VAL CA C 59 61.131 61.344 -0.213 1
1 613 . 19 1 1 A 59 59 VAL HA H 59 5.142 4.448 0.694 1
1 614 . 19 1 1 A 59 59 VAL CB C 59 33.825 32.238 1.587 1
1 624 . 19 1 1 A 59 59 VAL C C 59 175.539 174.620 0.919 1
1 625 . 19 1 1 A 60 60 SER N N 60 120.428 123.446 -3.018 1
1 626 . 19 1 1 A 60 60 SER H H 60 8.995 9.194 -0.199 1
1 627 . 19 1 1 A 60 60 SER CA C 60 56.782 56.505 0.277 1
1 628 . 19 1 1 A 60 60 SER HA H 60 4.823 5.059 -0.236 1
1 629 . 19 1 1 A 60 60 SER CB C 60 65.880 64.863 1.017 1
1 631 . 19 1 1 A 60 60 SER C C 60 172.353 172.948 -0.595 1
1 633 . 19 1 1 A 61 61 GLU N N 61 125.163 126.033 -0.870 1
1 634 . 19 1 1 A 61 61 GLU H H 61 8.894 8.556 0.338 1
1 635 . 19 1 1 A 61 61 GLU CA C 61 57.081 54.680 2.401 1
1 636 . 19 1 1 A 61 61 GLU HA H 61 3.545 4.368 -0.823 1
1 637 . 19 1 1 A 61 61 GLU CB C 61 30.675 30.506 0.169 1
1 641 . 19 1 1 A 61 61 GLU C C 61 176.353 175.906 0.447 1
1 644 . 19 1 1 A 62 62 LEU N N 62 129.563 128.546 1.017 1
1 645 . 19 1 1 A 62 62 LEU H H 62 8.800 8.518 0.282 1
1 646 . 19 1 1 A 62 62 LEU CA C 62 56.462 56.490 -0.028 1
1 647 . 19 1 1 A 62 62 LEU HA H 62 4.341 4.172 0.169 1
1 648 . 19 1 1 A 62 62 LEU CB C 62 44.020 42.601 1.419 1
1 660 . 19 1 1 A 62 62 LEU C C 62 176.662 176.846 -0.184 1
1 662 . 19 1 1 A 63 63 GLU N N 63 117.143 114.595 2.548 1
1 663 . 19 1 1 A 63 63 GLU H H 63 8.292 6.995 1.297 1
1 664 . 19 1 1 A 63 63 GLU CA C 63 53.777 53.594 0.183 1
1 665 . 19 1 1 A 63 63 GLU HA H 63 4.655 4.832 -0.177 1
1 666 . 19 1 1 A 63 63 GLU CB C 63 29.768 31.974 -2.206 1
1 670 . 19 1 1 A 63 63 GLU C C 63 172.058 175.617 -3.559 1
1 673 . 19 1 1 A 64 64 PRO CA C 64 65.767 64.143 1.624 1
1 674 . 19 1 1 A 64 64 PRO HA H 64 4.227 4.539 -0.312 1
1 675 . 19 1 1 A 64 64 PRO CB C 64 31.005 31.639 -0.634 1
1 681 . 19 1 1 A 64 64 PRO C C 64 177.068 176.300 0.768 1
1 685 . 19 1 1 A 65 65 ASP N N 65 118.425 117.243 1.182 1
1 686 . 19 1 1 A 65 65 ASP H H 65 8.965 8.378 0.587 1
1 687 . 19 1 1 A 65 65 ASP CA C 65 55.827 54.255 1.572 1
1 688 . 19 1 1 A 65 65 ASP HA H 65 4.589 4.922 -0.333 1
1 689 . 19 1 1 A 65 65 ASP CB C 65 43.713 42.809 0.904 1
1 691 . 19 1 1 A 65 65 ASP C C 65 174.921 175.290 -0.369 1
1 693 . 19 1 1 A 66 66 LYS N N 66 120.940 119.132 1.808 1
1 694 . 19 1 1 A 66 66 LYS H H 66 8.476 7.381 1.095 1
1 695 . 19 1 1 A 66 66 LYS CA C 66 55.938 55.698 0.240 1
1 696 . 19 1 1 A 66 66 LYS HA H 66 5.476 5.143 0.333 1
1 697 . 19 1 1 A 66 66 LYS CB C 66 36.812 36.380 0.432 1
1 705 . 19 1 1 A 66 66 LYS C C 66 173.912 173.968 -0.056 1
1 710 . 19 1 1 A 67 67 TYR N N 67 126.047 122.846 3.201 1
1 711 . 19 1 1 A 67 67 TYR H H 67 9.291 8.577 0.714 1
1 712 . 19 1 1 A 67 67 TYR CA C 67 56.589 56.660 -0.071 1
1 713 . 19 1 1 A 67 67 TYR HA H 67 5.136 5.137 -0.001 1
1 714 . 19 1 1 A 67 67 TYR CB C 67 41.933 42.827 -0.894 1
1 724 . 19 1 1 A 67 67 TYR C C 67 174.424 174.558 -0.134 1
1 726 . 19 1 1 A 68 68 ALA N N 68 123.234 124.138 -0.904 1
1 727 . 19 1 1 A 68 68 ALA H H 68 9.393 8.962 0.431 1
1 728 . 19 1 1 A 68 68 ALA CA C 68 50.620 49.875 0.745 1
1 729 . 19 1 1 A 68 68 ALA HA H 68 5.002 5.558 -0.556 1
1 730 . 19 1 1 A 68 68 ALA CB C 68 21.211 22.957 -1.746 1
1 734 . 19 1 1 A 68 68 ALA C C 68 176.258 175.832 0.426 1
1 735 . 19 1 1 A 69 69 VAL N N 69 121.910 120.729 1.181 1
1 736 . 19 1 1 A 69 69 VAL H H 69 8.412 8.358 0.054 1
1 737 . 19 1 1 A 69 69 VAL CA C 69 61.147 61.325 -0.178 1
1 738 . 19 1 1 A 69 69 VAL HA H 69 4.587 4.811 -0.224 1
1 739 . 19 1 1 A 69 69 VAL CB C 69 32.409 34.273 -1.864 1
1 749 . 19 1 1 A 69 69 VAL C C 69 174.300 173.751 0.549 1
1 750 . 19 1 1 A 70 70 ARG N N 70 125.218 129.541 -4.323 1
1 751 . 19 1 1 A 70 70 ARG H H 70 8.926 9.231 -0.305 1
1 752 . 19 1 1 A 70 70 ARG CA C 70 54.404 54.845 -0.441 1
1 753 . 19 1 1 A 70 70 ARG HA H 70 5.665 4.903 0.762 1
1 754 . 19 1 1 A 70 70 ARG CB C 70 34.966 31.457 3.509 1
1 760 . 19 1 1 A 70 70 ARG C C 70 175.124 175.311 -0.187 1
1 764 . 19 1 1 A 71 71 PHE N N 71 120.657 120.614 0.043 1
1 765 . 19 1 1 A 71 71 PHE H H 71 8.780 9.005 -0.225 1
1 766 . 19 1 1 A 71 71 PHE CA C 71 55.969 56.263 -0.294 1
1 767 . 19 1 1 A 71 71 PHE HA H 71 5.082 5.118 -0.036 1
1 768 . 19 1 1 A 71 71 PHE CB C 71 41.335 40.965 0.370 1
1 780 . 19 1 1 A 71 71 PHE C C 71 171.920 172.113 -0.193 1
1 782 . 19 1 1 A 72 72 ILE N N 72 120.347 120.850 -0.503 1
1 783 . 19 1 1 A 72 72 ILE H H 72 8.714 8.795 -0.081 1
1 784 . 19 1 1 A 72 72 ILE CA C 72 57.669 57.468 0.201 1
1 785 . 19 1 1 A 72 72 ILE HA H 72 4.469 4.382 0.087 1
1 786 . 19 1 1 A 72 72 ILE CB C 72 39.824 39.563 0.261 1
1 798 . 19 1 1 A 72 72 ILE C C 72 173.612 174.340 -0.728 1
1 800 . 19 1 1 A 73 73 PRO CA C 73 62.050 62.371 -0.321 1
1 801 . 19 1 1 A 73 73 PRO HA H 73 4.493 4.968 -0.475 1
1 802 . 19 1 1 A 73 73 PRO CB C 73 33.680 29.634 4.046 1
1 808 . 19 1 1 A 73 73 PRO C C 73 176.990 175.813 1.177 1
1 812 . 19 1 1 A 74 74 HIS N N 74 119.655 117.702 1.953 1
1 813 . 19 1 1 A 74 74 HIS H H 74 10.240 8.446 1.794 1
1 814 . 19 1 1 A 74 74 HIS CA C 74 54.660 53.803 0.857 1
1 815 . 19 1 1 A 74 74 HIS HA H 74 5.035 5.702 -0.667 1
1 816 . 19 1 1 A 74 74 HIS CB C 74 30.530 31.661 -1.131 1
1 822 . 19 1 1 A 74 74 HIS C C 74 173.624 173.716 -0.092 1
1 824 . 19 1 1 A 75 75 GLU N N 75 118.178 123.694 -5.516 1
1 825 . 19 1 1 A 75 75 GLU H H 75 7.772 9.048 -1.276 1
1 826 . 19 1 1 A 75 75 GLU CA C 75 54.166 54.880 -0.714 1
1 827 . 19 1 1 A 75 75 GLU HA H 75 4.654 4.616 0.038 1
1 828 . 19 1 1 A 75 75 GLU CB C 75 33.422 32.771 0.651 1
1 832 . 19 1 1 A 75 75 GLU C C 75 173.599 175.210 -1.611 1
1 835 . 19 1 1 A 76 76 ASN N N 76 116.760 120.955 -4.195 1
1 836 . 19 1 1 A 76 76 ASN H H 76 8.530 8.716 -0.186 1
1 837 . 19 1 1 A 76 76 ASN CA C 76 53.486 52.154 1.332 1
1 838 . 19 1 1 A 76 76 ASN HA H 76 4.606 5.062 -0.456 1
1 839 . 19 1 1 A 76 76 ASN CB C 76 40.184 38.128 2.056 1
1 844 . 19 1 1 A 76 76 ASN C C 76 175.598 175.069 0.529 1
1 846 . 19 1 1 A 77 77 GLY N N 77 106.497 107.372 -0.875 1
1 847 . 19 1 1 A 77 77 GLY H H 77 9.152 7.524 1.628 1
1 848 . 19 1 1 A 77 77 GLY CA C 77 43.752 46.212 -2.460 1
1 849 . 19 1 1 A 77 77 GLY HA3 H 77 4.797 4.146 0.651 1
1 850 . 19 1 1 A 77 77 GLY C C 77 176.329 172.115 4.214 1
1 851 . 19 1 1 A 77 77 GLY HA2 H 77 3.897 4.119 -0.222 1
1 852 . 19 1 1 A 78 78 VAL N N 78 124.582 122.280 2.302 1
1 853 . 19 1 1 A 78 78 VAL H H 78 9.334 8.301 1.033 1
1 854 . 19 1 1 A 78 78 VAL CA C 78 64.642 61.341 3.301 1
1 855 . 19 1 1 A 78 78 VAL HA H 78 4.399 4.967 -0.568 1
1 856 . 19 1 1 A 78 78 VAL CB C 78 31.464 33.881 -2.417 1
1 866 . 19 1 1 A 78 78 VAL C C 78 176.269 175.343 0.926 1
1 867 . 19 1 1 A 79 79 HIS N N 79 129.160 126.213 2.947 1
1 868 . 19 1 1 A 79 79 HIS H H 79 9.854 9.042 0.812 1
1 869 . 19 1 1 A 79 79 HIS CA C 79 55.150 55.031 0.119 1
1 870 . 19 1 1 A 79 79 HIS HA H 79 4.921 5.384 -0.463 1
1 871 . 19 1 1 A 79 79 HIS CB C 79 30.772 32.373 -1.601 1
1 877 . 19 1 1 A 79 79 HIS C C 79 174.062 174.890 -0.828 1
1 879 . 19 1 1 A 80 80 THR N N 80 116.006 115.088 0.918 1
1 880 . 19 1 1 A 80 80 THR H H 80 8.526 8.448 0.078 1
1 881 . 19 1 1 A 80 80 THR CA C 80 60.983 61.666 -0.683 1
1 882 . 19 1 1 A 80 80 THR HA H 80 5.380 5.018 0.362 1
1 883 . 19 1 1 A 80 80 THR CB C 80 70.590 70.970 -0.380 1
1 889 . 19 1 1 A 80 80 THR C C 80 173.671 173.502 0.169 1
1 890 . 19 1 1 A 81 81 ILE N N 81 127.414 128.646 -1.232 1
1 891 . 19 1 1 A 81 81 ILE H H 81 9.745 8.969 0.776 1
1 892 . 19 1 1 A 81 81 ILE CA C 81 60.037 61.267 -1.230 1
1 893 . 19 1 1 A 81 81 ILE HA H 81 4.867 4.398 0.469 1
1 894 . 19 1 1 A 81 81 ILE CB C 81 39.883 38.184 1.699 1
1 906 . 19 1 1 A 81 81 ILE C C 81 175.279 174.891 0.388 1
1 908 . 19 1 1 A 82 82 ASP N N 82 128.375 128.704 -0.329 1
1 909 . 19 1 1 A 82 82 ASP H H 82 9.157 8.761 0.396 1
1 910 . 19 1 1 A 82 82 ASP CA C 82 53.084 52.959 0.125 1
1 911 . 19 1 1 A 82 82 ASP HA H 82 5.060 5.344 -0.284 1
1 912 . 19 1 1 A 82 82 ASP CB C 82 42.929 43.162 -0.233 1
1 914 . 19 1 1 A 82 82 ASP C C 82 175.923 175.133 0.790 1
1 916 . 19 1 1 A 83 83 VAL N N 83 125.651 126.169 -0.518 1
1 917 . 19 1 1 A 83 83 VAL H H 83 9.897 8.673 1.224 1
1 918 . 19 1 1 A 83 83 VAL CA C 83 62.407 61.795 0.612 1
1 919 . 19 1 1 A 83 83 VAL HA H 83 4.553 4.763 -0.210 1
1 920 . 19 1 1 A 83 83 VAL CB C 83 33.233 33.902 -0.669 1
1 930 . 19 1 1 A 83 83 VAL C C 83 173.327 175.122 -1.795 1
1 931 . 19 1 1 A 84 84 LYS N N 84 124.405 127.116 -2.711 1
1 932 . 19 1 1 A 84 84 LYS H H 84 8.874 8.746 0.128 1
1 933 . 19 1 1 A 84 84 LYS CA C 84 53.901 54.534 -0.633 1
1 934 . 19 1 1 A 84 84 LYS HA H 84 5.065 4.954 0.111 1
1 935 . 19 1 1 A 84 84 LYS CB C 84 36.851 35.385 1.466 1
1 943 . 19 1 1 A 84 84 LYS C C 84 174.760 174.480 0.280 1
1 948 . 19 1 1 A 85 85 PHE N N 85 120.871 124.232 -3.361 1
1 949 . 19 1 1 A 85 85 PHE H H 85 9.167 9.004 0.163 1
1 950 . 19 1 1 A 85 85 PHE CA C 85 56.014 57.499 -1.485 1
1 951 . 19 1 1 A 85 85 PHE HA H 85 5.157 5.135 0.022 1
1 952 . 19 1 1 A 85 85 PHE CB C 85 42.916 41.810 1.106 1
1 964 . 19 1 1 A 85 85 PHE C C 85 175.473 174.948 0.525 1
1 966 . 19 1 1 A 86 86 ASN N N 86 126.732 125.295 1.437 1
1 967 . 19 1 1 A 86 86 ASN H H 86 8.714 8.622 0.092 1
1 968 . 19 1 1 A 86 86 ASN CA C 86 53.835 53.925 -0.090 1
1 969 . 19 1 1 A 86 86 ASN HA H 86 4.216 4.226 -0.010 1
1 970 . 19 1 1 A 86 86 ASN CB C 86 36.789 37.414 -0.625 1
1 975 . 19 1 1 A 86 86 ASN C C 86 175.700 174.660 1.040 1
1 977 . 19 1 1 A 87 87 GLY N N 87 102.449 105.135 -2.686 1
1 978 . 19 1 1 A 87 87 GLY H H 87 8.986 8.585 0.401 1
1 979 . 19 1 1 A 87 87 GLY CA C 87 45.490 46.511 -1.021 1
1 980 . 19 1 1 A 87 87 GLY HA3 H 87 4.223 3.889 0.334 1
1 981 . 19 1 1 A 87 87 GLY C C 87 174.149 173.484 0.665 1
1 982 . 19 1 1 A 87 87 GLY HA2 H 87 3.555 3.861 -0.306 1
1 983 . 19 1 1 A 88 88 SER N N 88 116.260 113.375 2.885 1
1 984 . 19 1 1 A 88 88 SER H H 88 7.670 7.628 0.042 1
1 985 . 19 1 1 A 88 88 SER CA C 88 57.194 57.548 -0.354 1
1 986 . 19 1 1 A 88 88 SER HA H 88 4.935 4.703 0.232 1
1 987 . 19 1 1 A 88 88 SER CB C 88 65.421 65.945 -0.524 1
1 989 . 19 1 1 A 88 88 SER C C 88 173.491 173.215 0.276 1
1 991 . 19 1 1 A 89 89 HIS N N 89 124.290 125.678 -1.388 1
1 992 . 19 1 1 A 89 89 HIS H H 89 8.847 8.674 0.173 1
1 993 . 19 1 1 A 89 89 HIS CA C 89 59.048 57.524 1.524 1
1 994 . 19 1 1 A 89 89 HIS HA H 89 4.543 4.775 -0.232 1
1 995 . 19 1 1 A 89 89 HIS CB C 89 32.463 30.029 2.434 1
1 1001 . 19 1 1 A 89 89 HIS C C 89 177.441 175.330 2.111 1
1 1003 . 19 1 1 A 90 90 VAL N N 90 116.253 122.001 -5.748 1
1 1004 . 19 1 1 A 90 90 VAL H H 90 8.283 8.221 0.062 1
1 1005 . 19 1 1 A 90 90 VAL CA C 90 60.279 62.156 -1.877 1
1 1006 . 19 1 1 A 90 90 VAL HA H 90 4.291 3.968 0.323 1
1 1007 . 19 1 1 A 90 90 VAL CB C 90 31.601 32.779 -1.178 1
1 1017 . 19 1 1 A 90 90 VAL C C 90 176.074 175.733 0.341 1
1 1018 . 19 1 1 A 91 91 VAL N N 91 123.139 124.601 -1.462 1
1 1019 . 19 1 1 A 91 91 VAL H H 91 8.910 8.510 0.400 1
1 1020 . 19 1 1 A 91 91 VAL CA C 91 66.030 63.462 2.568 1
1 1021 . 19 1 1 A 91 91 VAL HA H 91 3.632 3.783 -0.151 1
1 1022 . 19 1 1 A 91 91 VAL CB C 91 30.897 31.334 -0.437 1
1 1032 . 19 1 1 A 91 91 VAL C C 91 177.012 176.830 0.182 1
1 1033 . 19 1 1 A 92 92 GLY N N 92 116.727 116.515 0.212 1
1 1034 . 19 1 1 A 92 92 GLY H H 92 8.396 8.719 -0.323 1
1 1035 . 19 1 1 A 92 92 GLY CA C 92 44.466 45.466 -1.000 1
1 1036 . 19 1 1 A 92 92 GLY HA3 H 92 4.180 3.707 0.473 1
1 1037 . 19 1 1 A 92 92 GLY C C 92 172.077 172.784 -0.707 1
1 1038 . 19 1 1 A 92 92 GLY HA2 H 92 3.221 3.647 -0.426 1
1 1039 . 19 1 1 A 93 93 SER N N 93 112.885 114.567 -1.682 1
1 1040 . 19 1 1 A 93 93 SER H H 93 7.484 7.365 0.119 1
1 1041 . 19 1 1 A 93 93 SER CA C 93 54.547 54.877 -0.330 1
1 1042 . 19 1 1 A 93 93 SER HA H 93 4.065 4.461 -0.396 1
1 1043 . 19 1 1 A 93 93 SER CB C 93 62.575 65.756 -3.181 1
1 1045 . 19 1 1 A 93 93 SER C C 93 174.608 171.755 2.853 1
1 1047 . 19 1 1 A 94 94 PRO CA C 94 62.477 62.261 0.216 1
1 1048 . 19 1 1 A 94 94 PRO HA H 94 5.491 4.608 0.883 1
1 1049 . 19 1 1 A 94 94 PRO CB C 94 34.106 32.175 1.931 1
1 1055 . 19 1 1 A 94 94 PRO C C 94 176.779 176.406 0.373 1
1 1059 . 19 1 1 A 95 95 PHE N N 95 123.133 120.359 2.774 1
1 1060 . 19 1 1 A 95 95 PHE H H 95 9.200 8.358 0.842 1
1 1061 . 19 1 1 A 95 95 PHE CA C 95 57.291 57.711 -0.420 1
1 1062 . 19 1 1 A 95 95 PHE HA H 95 4.581 4.841 -0.260 1
1 1063 . 19 1 1 A 95 95 PHE CB C 95 41.165 40.436 0.729 1
1 1075 . 19 1 1 A 95 95 PHE C C 95 175.687 176.044 -0.357 1
1 1077 . 19 1 1 A 96 96 LYS N N 96 122.134 119.889 2.245 1
1 1078 . 19 1 1 A 96 96 LYS H H 96 8.790 8.513 0.277 1
1 1079 . 19 1 1 A 96 96 LYS CA C 96 55.249 54.710 0.539 1
1 1080 . 19 1 1 A 96 96 LYS HA H 96 5.276 5.229 0.047 1
1 1081 . 19 1 1 A 96 96 LYS CB C 96 33.836 35.154 -1.318 1
1 1089 . 19 1 1 A 96 96 LYS C C 96 176.515 175.817 0.698 1
1 1094 . 19 1 1 A 97 97 VAL N N 97 117.706 117.271 0.435 1
1 1095 . 19 1 1 A 97 97 VAL H H 97 8.873 8.403 0.470 1
1 1096 . 19 1 1 A 97 97 VAL CA C 97 59.188 58.786 0.402 1
1 1097 . 19 1 1 A 97 97 VAL HA H 97 4.917 4.972 -0.055 1
1 1098 . 19 1 1 A 97 97 VAL CB C 97 35.185 36.156 -0.971 1
1 1108 . 19 1 1 A 97 97 VAL C C 97 173.801 174.754 -0.953 1
1 1109 . 19 1 1 A 98 98 ARG N N 98 125.203 121.341 3.862 1
1 1110 . 19 1 1 A 98 98 ARG H H 98 8.826 8.280 0.546 1
1 1111 . 19 1 1 A 98 98 ARG CA C 98 56.337 54.429 1.908 1
1 1112 . 19 1 1 A 98 98 ARG HA H 98 4.610 5.229 -0.619 1
1 1113 . 19 1 1 A 98 98 ARG CB C 98 32.031 32.692 -0.661 1
1 1119 . 19 1 1 A 98 98 ARG C C 98 174.438 174.849 -0.411 1
1 1123 . 19 1 1 A 99 99 VAL N N 99 127.382 126.276 1.106 1
1 1124 . 19 1 1 A 99 99 VAL H H 99 8.144 8.679 -0.535 1
1 1125 . 19 1 1 A 99 99 VAL CA C 99 61.216 62.102 -0.886 1
1 1126 . 19 1 1 A 99 99 VAL HA H 99 4.115 4.571 -0.456 1
1 1127 . 19 1 1 A 99 99 VAL CB C 99 32.590 32.852 -0.262 1
1 1137 . 19 1 1 A 99 99 VAL C C 99 176.994 175.561 1.433 1
1 1138 . 19 1 1 A 100 100 GLY N N 100 117.424 113.434 3.990 1
1 1139 . 19 1 1 A 100 100 GLY H H 100 8.682 8.445 0.237 1
1 1140 . 19 1 1 A 100 100 GLY CA C 100 44.650 45.849 -1.199 1
1 1141 . 19 1 1 A 100 100 GLY HA3 H 100 4.386 4.205 0.181 1
1 1142 . 19 1 1 A 100 100 GLY C C 100 173.180 172.543 0.637 1
1 1143 . 19 1 1 A 100 100 GLY HA2 H 100 3.954 4.195 -0.241 1
1 1144 . 19 1 1 A 101 101 GLU N N 101 119.495 119.974 -0.479 1
1 1145 . 19 1 1 A 101 101 GLU H H 101 8.383 8.566 -0.183 1
1 1146 . 19 1 1 A 101 101 GLU CA C 101 54.168 54.288 -0.120 1
1 1147 . 19 1 1 A 101 101 GLU HA H 101 4.661 4.854 -0.193 1
1 1148 . 19 1 1 A 101 101 GLU CB C 101 29.836 30.770 -0.934 1
1 1152 . 19 1 1 A 101 101 GLU C C 101 175.458 175.462 -0.004 1
1 1155 . 19 1 1 A 102 102 PRO CA C 102 63.897 62.410 1.487 1
1 1156 . 19 1 1 A 102 102 PRO HA H 102 4.361 4.512 -0.151 1
1 1157 . 19 1 1 A 102 102 PRO CB C 102 31.946 33.353 -1.407 1
1 1163 . 19 1 1 A 102 102 PRO C C 102 177.509 176.201 1.308 1
1 1167 . 19 1 1 A 103 103 GLY N N 103 109.378 106.568 2.810 1
1 1168 . 19 1 1 A 103 103 GLY H H 103 8.552 8.288 0.264 1
1 1169 . 19 1 1 A 103 103 GLY CA C 103 45.263 44.645 0.618 1
1 1170 . 19 1 1 A 103 103 GLY HA3 H 103 3.962 4.233 -0.271 1
1 1171 . 19 1 1 A 103 103 GLY C C 103 174.277 172.636 1.641 1
1 1172 . 19 1 1 A 103 103 GLY HA2 H 103 3.962 4.233 -0.271 1
1 1173 . 19 1 1 A 104 104 GLN N N 104 119.735 122.018 -2.283 1
1 1174 . 19 1 1 A 104 104 GLN H H 104 8.096 8.357 -0.261 1
1 1175 . 19 1 1 A 104 104 GLN CA C 104 55.924 56.169 -0.245 1
1 1176 . 19 1 1 A 104 104 GLN HA H 104 4.339 4.296 0.043 1
1 1177 . 19 1 1 A 104 104 GLN CB C 104 29.622 29.017 0.605 1
1 1184 . 19 1 1 A 104 104 GLN C C 104 175.669 176.274 -0.605 1
1 1187 . 19 1 1 A 105 105 ALA N N 105 125.603 129.946 -4.343 1
1 1188 . 19 1 1 A 105 105 ALA H H 105 8.389 8.700 -0.311 1
1 1189 . 19 1 1 A 105 105 ALA CA C 105 52.416 55.092 -2.676 1
1 1190 . 19 1 1 A 105 105 ALA HA H 105 4.385 4.012 0.373 1
1 1191 . 19 1 1 A 105 105 ALA CB C 105 19.608 19.402 0.206 1
1 1195 . 19 1 1 A 105 105 ALA C C 105 176.971 178.087 -1.116 1
1 1 . 20 1 1 A 8 8 SER CA C 8 59.066 59.094 -0.028 1
1 2 . 20 1 1 A 8 8 SER HA H 8 4.444 4.404 0.040 1
1 3 . 20 1 1 A 8 8 SER CB C 8 63.749 63.875 -0.126 1
1 5 . 20 1 1 A 8 8 SER C C 8 174.832 174.335 0.497 1
1 7 . 20 1 1 A 9 9 ASP N N 9 122.244 124.377 -2.133 1
1 8 . 20 1 1 A 9 9 ASP H H 9 8.460 8.592 -0.132 1
1 9 . 20 1 1 A 9 9 ASP CA C 9 54.943 55.025 -0.082 1
1 10 . 20 1 1 A 9 9 ASP HA H 9 4.730 4.675 0.055 1
1 11 . 20 1 1 A 9 9 ASP CB C 9 41.125 41.495 -0.370 1
1 13 . 20 1 1 A 9 9 ASP C C 9 176.845 175.487 1.358 1
1 15 . 20 1 1 A 10 10 ASP N N 10 120.929 123.252 -2.323 1
1 16 . 20 1 1 A 10 10 ASP H H 10 8.121 8.906 -0.785 1
1 17 . 20 1 1 A 10 10 ASP CA C 10 55.841 52.767 3.074 1
1 18 . 20 1 1 A 10 10 ASP HA H 10 4.523 4.933 -0.410 1
1 19 . 20 1 1 A 10 10 ASP CB C 10 41.834 40.724 1.110 1
1 21 . 20 1 1 A 10 10 ASP C C 10 177.047 175.885 1.162 1
1 23 . 20 1 1 A 11 11 ALA N N 11 122.815 125.561 -2.746 1
1 24 . 20 1 1 A 11 11 ALA H H 11 8.520 8.663 -0.143 1
1 25 . 20 1 1 A 11 11 ALA CA C 11 54.828 53.985 0.843 1
1 26 . 20 1 1 A 11 11 ALA HA H 11 4.004 4.022 -0.018 1
1 27 . 20 1 1 A 11 11 ALA CB C 11 19.454 19.407 0.047 1
1 31 . 20 1 1 A 11 11 ALA C C 11 179.280 179.334 -0.054 1
1 32 . 20 1 1 A 12 12 ARG N N 12 115.782 118.331 -2.549 1
1 33 . 20 1 1 A 12 12 ARG H H 12 8.159 7.889 0.270 1
1 34 . 20 1 1 A 12 12 ARG CA C 12 57.578 59.738 -2.160 1
1 35 . 20 1 1 A 12 12 ARG HA H 12 4.310 4.064 0.246 1
1 36 . 20 1 1 A 12 12 ARG CB C 12 29.817 29.919 -0.102 1
1 42 . 20 1 1 A 12 12 ARG C C 12 176.412 178.966 -2.554 1
1 46 . 20 1 1 A 13 13 ARG N N 13 117.438 120.461 -3.023 1
1 47 . 20 1 1 A 13 13 ARG H H 13 7.858 7.903 -0.045 1
1 48 . 20 1 1 A 13 13 ARG CA C 13 56.855 58.976 -2.121 1
1 49 . 20 1 1 A 13 13 ARG HA H 13 4.183 3.998 0.185 1
1 50 . 20 1 1 A 13 13 ARG CB C 13 30.976 29.850 1.126 1
1 56 . 20 1 1 A 13 13 ARG C C 13 176.451 177.396 -0.945 1
1 60 . 20 1 1 A 14 14 LEU N N 14 121.077 120.595 0.482 1
1 61 . 20 1 1 A 14 14 LEU H H 14 6.925 7.606 -0.681 1
1 62 . 20 1 1 A 14 14 LEU CA C 14 56.582 55.820 0.762 1
1 63 . 20 1 1 A 14 14 LEU HA H 14 4.394 4.048 0.346 1
1 64 . 20 1 1 A 14 14 LEU CB C 14 42.968 42.221 0.747 1
1 76 . 20 1 1 A 14 14 LEU C C 14 177.296 176.535 0.761 1
1 78 . 20 1 1 A 15 15 THR N N 15 115.028 117.454 -2.426 1
1 79 . 20 1 1 A 15 15 THR H H 15 8.716 8.578 0.138 1
1 80 . 20 1 1 A 15 15 THR CA C 15 61.169 61.568 -0.399 1
1 81 . 20 1 1 A 15 15 THR HA H 15 4.667 5.066 -0.399 1
1 82 . 20 1 1 A 15 15 THR CB C 15 71.348 71.868 -0.520 1
1 88 . 20 1 1 A 15 15 THR C C 15 173.454 173.316 0.138 1
1 89 . 20 1 1 A 16 16 VAL N N 16 126.736 126.018 0.718 1
1 90 . 20 1 1 A 16 16 VAL H H 16 8.727 8.737 -0.010 1
1 91 . 20 1 1 A 16 16 VAL CA C 16 62.600 61.384 1.216 1
1 92 . 20 1 1 A 16 16 VAL HA H 16 4.539 4.473 0.066 1
1 93 . 20 1 1 A 16 16 VAL CB C 16 32.521 33.045 -0.524 1
1 103 . 20 1 1 A 16 16 VAL C C 16 175.348 175.033 0.315 1
1 104 . 20 1 1 A 17 17 MET N N 17 126.444 124.678 1.766 1
1 105 . 20 1 1 A 17 17 MET H H 17 9.255 8.780 0.475 1
1 106 . 20 1 1 A 17 17 MET CA C 17 54.872 54.044 0.828 1
1 107 . 20 1 1 A 17 17 MET HA H 17 4.806 4.901 -0.095 1
1 108 . 20 1 1 A 17 17 MET CB C 17 35.443 36.261 -0.818 1
1 116 . 20 1 1 A 17 17 MET C C 17 174.681 175.347 -0.666 1
1 119 . 20 1 1 A 18 18 SER N N 18 112.443 112.460 -0.017 1
1 120 . 20 1 1 A 18 18 SER H H 18 8.568 8.499 0.069 1
1 121 . 20 1 1 A 18 18 SER CA C 18 58.711 58.855 -0.144 1
1 122 . 20 1 1 A 18 18 SER HA H 18 4.018 4.013 0.005 1
1 123 . 20 1 1 A 18 18 SER CB C 18 62.009 62.113 -0.104 1
1 125 . 20 1 1 A 18 18 SER C C 18 173.373 172.818 0.555 1
1 127 . 20 1 1 A 19 19 LEU N N 19 122.011 121.461 0.550 1
1 128 . 20 1 1 A 19 19 LEU H H 19 7.996 7.687 0.309 1
1 129 . 20 1 1 A 19 19 LEU CA C 19 54.978 53.854 1.124 1
1 130 . 20 1 1 A 19 19 LEU HA H 19 4.283 4.883 -0.600 1
1 131 . 20 1 1 A 19 19 LEU CB C 19 41.955 44.310 -2.355 1
1 143 . 20 1 1 A 19 19 LEU C C 19 176.135 175.659 0.476 1
1 145 . 20 1 1 A 20 20 GLN N N 20 127.739 124.962 2.777 1
1 146 . 20 1 1 A 20 20 GLN H H 20 8.669 8.552 0.117 1
1 147 . 20 1 1 A 20 20 GLN CA C 20 55.617 53.801 1.816 1
1 148 . 20 1 1 A 20 20 GLN HA H 20 4.400 4.770 -0.370 1
1 149 . 20 1 1 A 20 20 GLN CB C 20 29.298 31.724 -2.426 1
1 156 . 20 1 1 A 20 20 GLN C C 20 175.033 175.211 -0.178 1
1 159 . 20 1 1 A 21 21 GLU N N 21 121.152 118.782 2.370 1
1 160 . 20 1 1 A 21 21 GLU H H 21 8.546 9.047 -0.501 1
1 161 . 20 1 1 A 21 21 GLU CA C 21 57.598 56.902 0.696 1
1 162 . 20 1 1 A 21 21 GLU HA H 21 4.310 4.732 -0.422 1
1 163 . 20 1 1 A 21 21 GLU CB C 21 30.764 32.275 -1.511 1
1 167 . 20 1 1 A 21 21 GLU C C 21 176.581 176.398 0.183 1
1 170 . 20 1 1 A 22 22 SER N N 22 113.328 115.185 -1.857 1
1 171 . 20 1 1 A 22 22 SER H H 22 8.018 8.040 -0.022 1
1 172 . 20 1 1 A 22 22 SER CA C 22 57.682 57.295 0.387 1
1 173 . 20 1 1 A 22 22 SER HA H 22 4.997 4.788 0.209 1
1 174 . 20 1 1 A 22 22 SER CB C 22 64.489 64.129 0.360 1
1 176 . 20 1 1 A 22 22 SER C C 22 174.062 175.478 -1.416 1
1 178 . 20 1 1 A 23 23 GLY N N 23 109.317 109.566 -0.249 1
1 179 . 20 1 1 A 23 23 GLY H H 23 8.828 7.846 0.982 1
1 180 . 20 1 1 A 23 23 GLY CA C 23 45.609 45.351 0.258 1
1 181 . 20 1 1 A 23 23 GLY HA3 H 23 4.116 4.086 0.030 1
1 182 . 20 1 1 A 23 23 GLY C C 23 174.629 174.430 0.199 1
1 183 . 20 1 1 A 23 23 GLY HA2 H 23 3.832 4.085 -0.253 1
1 184 . 20 1 1 A 24 24 LEU N N 24 120.545 121.532 -0.987 1
1 185 . 20 1 1 A 24 24 LEU H H 24 7.559 7.240 0.319 1
1 186 . 20 1 1 A 24 24 LEU CA C 24 55.569 55.502 0.067 1
1 187 . 20 1 1 A 24 24 LEU HA H 24 4.310 4.215 0.095 1
1 188 . 20 1 1 A 24 24 LEU CB C 24 42.978 42.411 0.567 1
1 200 . 20 1 1 A 24 24 LEU C C 24 176.704 175.739 0.965 1
1 202 . 20 1 1 A 25 25 LYS N N 25 122.188 120.069 2.119 1
1 203 . 20 1 1 A 25 25 LYS H H 25 8.828 8.747 0.081 1
1 204 . 20 1 1 A 25 25 LYS CA C 25 54.686 54.529 0.157 1
1 205 . 20 1 1 A 25 25 LYS HA H 25 4.676 5.067 -0.391 1
1 206 . 20 1 1 A 25 25 LYS CB C 25 35.736 36.077 -0.341 1
1 214 . 20 1 1 A 25 25 LYS C C 25 175.885 176.370 -0.485 1
1 219 . 20 1 1 A 26 26 VAL N N 26 121.689 123.549 -1.860 1
1 220 . 20 1 1 A 26 26 VAL H H 26 8.503 8.518 -0.015 1
1 221 . 20 1 1 A 26 26 VAL CA C 26 64.069 62.162 1.907 1
1 222 . 20 1 1 A 26 26 VAL HA H 26 3.218 4.192 -0.974 1
1 223 . 20 1 1 A 26 26 VAL CB C 26 31.636 32.471 -0.835 1
1 233 . 20 1 1 A 26 26 VAL C C 26 175.837 175.660 0.177 1
1 234 . 20 1 1 A 27 27 ASN N N 27 116.772 118.594 -1.822 1
1 235 . 20 1 1 A 27 27 ASN H H 27 8.682 9.117 -0.435 1
1 236 . 20 1 1 A 27 27 ASN CA C 27 55.183 54.457 0.726 1
1 237 . 20 1 1 A 27 27 ASN HA H 27 4.138 4.271 -0.133 1
1 238 . 20 1 1 A 27 27 ASN CB C 27 37.242 37.557 -0.315 1
1 243 . 20 1 1 A 27 27 ASN C C 27 173.308 173.433 -0.125 1
1 245 . 20 1 1 A 28 28 GLN N N 28 118.793 117.960 0.833 1
1 246 . 20 1 1 A 28 28 GLN H H 28 7.544 7.357 0.187 1
1 247 . 20 1 1 A 28 28 GLN CA C 28 52.212 52.427 -0.215 1
1 248 . 20 1 1 A 28 28 GLN HA H 28 4.893 4.797 0.096 1
1 249 . 20 1 1 A 28 28 GLN CB C 28 30.060 31.689 -1.629 1
1 256 . 20 1 1 A 28 28 GLN C C 28 173.078 173.541 -0.463 1
1 259 . 20 1 1 A 29 29 PRO CA C 29 63.563 62.771 0.792 1
1 260 . 20 1 1 A 29 29 PRO HA H 29 4.294 4.635 -0.341 1
1 261 . 20 1 1 A 29 29 PRO CB C 29 31.874 31.629 0.245 1
1 267 . 20 1 1 A 29 29 PRO C C 29 175.250 175.773 -0.523 1
1 271 . 20 1 1 A 30 30 ALA N N 30 128.803 126.315 2.488 1
1 272 . 20 1 1 A 30 30 ALA H H 30 8.887 8.226 0.661 1
1 273 . 20 1 1 A 30 30 ALA CA C 30 50.558 50.459 0.099 1
1 274 . 20 1 1 A 30 30 ALA HA H 30 4.539 4.940 -0.401 1
1 275 . 20 1 1 A 30 30 ALA CB C 30 21.602 22.377 -0.775 1
1 279 . 20 1 1 A 30 30 ALA C C 30 175.510 175.389 0.121 1
1 280 . 20 1 1 A 31 31 SER N N 31 112.512 114.108 -1.596 1
1 281 . 20 1 1 A 31 31 SER H H 31 8.214 8.627 -0.413 1
1 282 . 20 1 1 A 31 31 SER CA C 31 56.701 57.125 -0.424 1
1 283 . 20 1 1 A 31 31 SER HA H 31 5.832 5.603 0.229 1
1 284 . 20 1 1 A 31 31 SER CB C 31 66.721 66.561 0.160 1
1 286 . 20 1 1 A 31 31 SER C C 31 173.379 173.296 0.083 1
1 288 . 20 1 1 A 32 32 PHE N N 32 119.232 117.946 1.286 1
1 289 . 20 1 1 A 32 32 PHE H H 32 8.798 8.149 0.649 1
1 290 . 20 1 1 A 32 32 PHE CA C 32 56.218 55.513 0.705 1
1 291 . 20 1 1 A 32 32 PHE HA H 32 4.925 5.566 -0.641 1
1 292 . 20 1 1 A 32 32 PHE CB C 32 39.752 41.883 -2.131 1
1 304 . 20 1 1 A 32 32 PHE C C 32 172.709 172.602 0.107 1
1 306 . 20 1 1 A 33 33 ALA N N 33 122.788 122.071 0.717 1
1 307 . 20 1 1 A 33 33 ALA H H 33 8.827 8.912 -0.085 1
1 308 . 20 1 1 A 33 33 ALA CA C 33 50.616 49.962 0.654 1
1 309 . 20 1 1 A 33 33 ALA HA H 33 5.654 5.667 -0.013 1
1 310 . 20 1 1 A 33 33 ALA CB C 33 22.616 22.117 0.499 1
1 314 . 20 1 1 A 33 33 ALA C C 33 175.770 175.671 0.099 1
1 315 . 20 1 1 A 34 34 ILE N N 34 118.542 122.696 -4.154 1
1 316 . 20 1 1 A 34 34 ILE H H 34 9.194 9.437 -0.243 1
1 317 . 20 1 1 A 34 34 ILE CA C 34 59.486 60.571 -1.085 1
1 318 . 20 1 1 A 34 34 ILE HA H 34 4.978 4.731 0.247 1
1 319 . 20 1 1 A 34 34 ILE CB C 34 42.577 39.545 3.032 1
1 331 . 20 1 1 A 34 34 ILE C C 34 174.924 174.507 0.417 1
1 333 . 20 1 1 A 35 35 ARG N N 35 126.774 128.681 -1.907 1
1 334 . 20 1 1 A 35 35 ARG H H 35 9.038 9.041 -0.003 1
1 335 . 20 1 1 A 35 35 ARG CA C 35 54.096 55.879 -1.783 1
1 336 . 20 1 1 A 35 35 ARG HA H 35 5.283 4.783 0.500 1
1 337 . 20 1 1 A 35 35 ARG CB C 35 32.039 31.339 0.700 1
1 343 . 20 1 1 A 35 35 ARG C C 35 175.959 174.957 1.002 1
1 347 . 20 1 1 A 36 36 LEU N N 36 123.887 127.428 -3.541 1
1 348 . 20 1 1 A 36 36 LEU H H 36 8.648 8.741 -0.093 1
1 349 . 20 1 1 A 36 36 LEU CA C 36 56.318 53.550 2.768 1
1 350 . 20 1 1 A 36 36 LEU HA H 36 4.037 4.866 -0.829 1
1 351 . 20 1 1 A 36 36 LEU CB C 36 41.028 43.495 -2.467 1
1 363 . 20 1 1 A 36 36 LEU C C 36 177.292 176.323 0.969 1
1 365 . 20 1 1 A 37 37 ASN N N 37 115.087 122.551 -7.464 1
1 366 . 20 1 1 A 37 37 ASN H H 37 8.594 8.956 -0.362 1
1 367 . 20 1 1 A 37 37 ASN CA C 37 54.182 53.009 1.173 1
1 368 . 20 1 1 A 37 37 ASN HA H 37 4.407 4.847 -0.440 1
1 369 . 20 1 1 A 37 37 ASN CB C 37 37.687 38.672 -0.985 1
1 374 . 20 1 1 A 37 37 ASN C C 37 176.277 175.675 0.602 1
1 376 . 20 1 1 A 38 38 GLY N N 38 106.329 107.640 -1.311 1
1 377 . 20 1 1 A 38 38 GLY H H 38 9.506 7.913 1.593 1
1 378 . 20 1 1 A 38 38 GLY CA C 38 45.290 45.546 -0.256 1
1 379 . 20 1 1 A 38 38 GLY HA3 H 38 4.156 4.031 0.125 1
1 380 . 20 1 1 A 38 38 GLY C C 38 174.483 174.223 0.260 1
1 381 . 20 1 1 A 38 38 GLY HA2 H 38 3.617 4.021 -0.404 1
1 382 . 20 1 1 A 39 39 ALA N N 39 124.015 123.128 0.887 1
1 383 . 20 1 1 A 39 39 ALA H H 39 7.483 7.787 -0.304 1
1 384 . 20 1 1 A 39 39 ALA CA C 39 52.396 50.731 1.665 1
1 385 . 20 1 1 A 39 39 ALA HA H 39 4.280 4.516 -0.236 1
1 386 . 20 1 1 A 39 39 ALA CB C 39 20.424 20.460 -0.036 1
1 390 . 20 1 1 A 39 39 ALA C C 39 176.275 177.161 -0.886 1
1 391 . 20 1 1 A 40 40 LYS N N 40 119.513 120.143 -0.630 1
1 392 . 20 1 1 A 40 40 LYS H H 40 8.685 8.844 -0.159 1
1 393 . 20 1 1 A 40 40 LYS CA C 40 54.696 54.700 -0.004 1
1 394 . 20 1 1 A 40 40 LYS HA H 40 4.811 5.302 -0.491 1
1 395 . 20 1 1 A 40 40 LYS CB C 40 34.324 35.752 -1.428 1
1 403 . 20 1 1 A 40 40 LYS C C 40 176.004 175.626 0.378 1
1 408 . 20 1 1 A 41 41 GLY N N 41 111.941 107.103 4.838 1
1 409 . 20 1 1 A 41 41 GLY H H 41 8.398 8.343 0.055 1
1 410 . 20 1 1 A 41 41 GLY CA C 41 45.887 45.926 -0.039 1
1 411 . 20 1 1 A 41 41 GLY HA3 H 41 3.722 4.147 -0.425 1
1 412 . 20 1 1 A 41 41 GLY C C 41 171.021 171.144 -0.123 1
1 413 . 20 1 1 A 41 41 GLY HA2 H 41 3.722 3.844 -0.122 1
1 414 . 20 1 1 A 42 42 LYS N N 42 119.600 123.738 -4.138 1
1 415 . 20 1 1 A 42 42 LYS H H 42 7.293 7.667 -0.374 1
1 416 . 20 1 1 A 42 42 LYS CA C 42 54.522 55.099 -0.577 1
1 417 . 20 1 1 A 42 42 LYS HA H 42 4.467 4.801 -0.334 1
1 418 . 20 1 1 A 42 42 LYS CB C 42 34.979 35.688 -0.709 1
1 426 . 20 1 1 A 42 42 LYS C C 42 175.675 174.487 1.188 1
1 431 . 20 1 1 A 43 43 ILE N N 43 127.421 127.771 -0.350 1
1 432 . 20 1 1 A 43 43 ILE H H 43 8.706 8.861 -0.155 1
1 433 . 20 1 1 A 43 43 ILE CA C 43 60.336 60.713 -0.377 1
1 434 . 20 1 1 A 43 43 ILE HA H 43 4.695 4.555 0.140 1
1 435 . 20 1 1 A 43 43 ILE CB C 43 39.322 37.810 1.512 1
1 447 . 20 1 1 A 43 43 ILE C C 43 174.542 174.683 -0.141 1
1 449 . 20 1 1 A 44 44 ASP N N 44 127.995 127.254 0.741 1
1 450 . 20 1 1 A 44 44 ASP H H 44 8.861 8.660 0.201 1
1 451 . 20 1 1 A 44 44 ASP CA C 44 53.245 52.907 0.338 1
1 452 . 20 1 1 A 44 44 ASP HA H 44 4.817 5.408 -0.591 1
1 453 . 20 1 1 A 44 44 ASP CB C 44 44.577 43.309 1.268 1
1 455 . 20 1 1 A 44 44 ASP C C 44 173.768 174.891 -1.123 1
1 457 . 20 1 1 A 45 45 ALA N N 45 127.601 127.757 -0.156 1
1 458 . 20 1 1 A 45 45 ALA H H 45 8.819 8.975 -0.156 1
1 459 . 20 1 1 A 45 45 ALA CA C 45 50.180 50.171 0.009 1
1 460 . 20 1 1 A 45 45 ALA HA H 45 5.859 5.473 0.386 1
1 461 . 20 1 1 A 45 45 ALA CB C 45 21.379 21.317 0.062 1
1 465 . 20 1 1 A 45 45 ALA C C 45 175.393 176.422 -1.029 1
1 466 . 20 1 1 A 46 46 LYS N N 46 122.427 122.365 0.062 1
1 467 . 20 1 1 A 46 46 LYS H H 46 8.723 8.444 0.279 1
1 468 . 20 1 1 A 46 46 LYS CA C 46 55.090 54.799 0.291 1
1 469 . 20 1 1 A 46 46 LYS HA H 46 5.057 4.993 0.064 1
1 470 . 20 1 1 A 46 46 LYS CB C 46 37.534 36.804 0.730 1
1 478 . 20 1 1 A 46 46 LYS C C 46 173.473 174.554 -1.081 1
1 483 . 20 1 1 A 47 47 VAL N N 47 120.177 122.337 -2.160 1
1 484 . 20 1 1 A 47 47 VAL H H 47 8.989 8.526 0.463 1
1 485 . 20 1 1 A 47 47 VAL CA C 47 59.152 60.165 -1.013 1
1 486 . 20 1 1 A 47 47 VAL HA H 47 4.875 4.716 0.159 1
1 487 . 20 1 1 A 47 47 VAL CB C 47 34.502 34.235 0.267 1
1 497 . 20 1 1 A 47 47 VAL C C 47 173.786 173.554 0.232 1
1 498 . 20 1 1 A 48 48 HIS N N 48 127.949 127.074 0.875 1
1 499 . 20 1 1 A 48 48 HIS H H 48 9.661 9.326 0.335 1
1 500 . 20 1 1 A 48 48 HIS CA C 48 53.917 54.143 -0.226 1
1 501 . 20 1 1 A 48 48 HIS HA H 48 5.238 5.321 -0.083 1
1 502 . 20 1 1 A 48 48 HIS CB C 48 30.549 32.531 -1.982 1
1 508 . 20 1 1 A 48 48 HIS C C 48 175.556 174.465 1.091 1
1 510 . 20 1 1 A 49 49 SER N N 49 121.639 116.778 4.861 1
1 511 . 20 1 1 A 49 49 SER H H 49 9.114 8.757 0.357 1
1 512 . 20 1 1 A 49 49 SER CA C 49 56.693 55.190 1.503 1
1 513 . 20 1 1 A 49 49 SER HA H 49 4.391 5.025 -0.634 1
1 514 . 20 1 1 A 49 49 SER CB C 49 63.160 64.595 -1.435 1
1 516 . 20 1 1 A 49 49 SER C C 49 174.390 174.436 -0.046 1
1 518 . 20 1 1 A 50 50 PRO CA C 50 65.732 64.251 1.481 1
1 519 . 20 1 1 A 50 50 PRO HA H 50 4.247 4.504 -0.257 1
1 520 . 20 1 1 A 50 50 PRO CB C 50 31.516 31.695 -0.179 1
1 526 . 20 1 1 A 50 50 PRO C C 50 177.969 177.535 0.434 1
1 530 . 20 1 1 A 51 51 SER N N 51 110.808 112.098 -1.290 1
1 531 . 20 1 1 A 51 51 SER H H 51 8.539 7.523 1.016 1
1 532 . 20 1 1 A 51 51 SER CA C 51 59.311 58.020 1.291 1
1 533 . 20 1 1 A 51 51 SER HA H 51 4.331 4.561 -0.230 1
1 534 . 20 1 1 A 51 51 SER CB C 51 62.767 63.349 -0.582 1
1 536 . 20 1 1 A 51 51 SER C C 51 175.339 174.443 0.896 1
1 538 . 20 1 1 A 52 52 GLY N N 52 110.692 110.257 0.435 1
1 539 . 20 1 1 A 52 52 GLY H H 52 8.181 7.856 0.325 1
1 540 . 20 1 1 A 52 52 GLY CA C 52 44.862 46.092 -1.230 1
1 541 . 20 1 1 A 52 52 GLY HA3 H 52 4.444 4.015 0.429 1
1 542 . 20 1 1 A 52 52 GLY C C 52 174.389 174.274 0.115 1
1 543 . 20 1 1 A 52 52 GLY HA2 H 52 3.634 4.000 -0.366 1
1 544 . 20 1 1 A 53 53 ALA N N 53 124.417 122.289 2.128 1
1 545 . 20 1 1 A 53 53 ALA H H 53 7.419 7.275 0.144 1
1 546 . 20 1 1 A 53 53 ALA CA C 53 52.538 50.653 1.885 1
1 547 . 20 1 1 A 53 53 ALA HA H 53 4.373 4.823 -0.450 1
1 548 . 20 1 1 A 53 53 ALA CB C 53 19.207 22.593 -3.386 1
1 552 . 20 1 1 A 53 53 ALA C C 53 176.519 176.017 0.502 1
1 553 . 20 1 1 A 54 54 VAL N N 54 121.228 120.438 0.790 1
1 554 . 20 1 1 A 54 54 VAL H H 54 8.429 8.779 -0.350 1
1 555 . 20 1 1 A 54 54 VAL CA C 54 60.672 61.213 -0.541 1
1 556 . 20 1 1 A 54 54 VAL HA H 54 4.980 4.363 0.617 1
1 557 . 20 1 1 A 54 54 VAL CB C 54 33.933 33.760 0.173 1
1 567 . 20 1 1 A 54 54 VAL C C 54 175.443 175.248 0.195 1
1 568 . 20 1 1 A 55 55 GLU N N 55 126.290 127.109 -0.819 1
1 569 . 20 1 1 A 55 55 GLU H H 55 8.640 8.949 -0.309 1
1 570 . 20 1 1 A 55 55 GLU CA C 55 54.306 54.633 -0.327 1
1 571 . 20 1 1 A 55 55 GLU HA H 55 4.754 4.877 -0.123 1
1 572 . 20 1 1 A 55 55 GLU CB C 55 33.612 32.071 1.541 1
1 576 . 20 1 1 A 55 55 GLU C C 55 175.073 174.906 0.167 1
1 579 . 20 1 1 A 56 56 GLU N N 56 123.200 122.237 0.963 1
1 580 . 20 1 1 A 56 56 GLU H H 56 8.878 8.701 0.177 1
1 581 . 20 1 1 A 56 56 GLU CA C 56 56.966 54.675 2.291 1
1 582 . 20 1 1 A 56 56 GLU HA H 56 4.479 5.101 -0.622 1
1 583 . 20 1 1 A 56 56 GLU CB C 56 30.258 33.433 -3.175 1
1 587 . 20 1 1 A 56 56 GLU C C 56 177.592 175.108 2.484 1
1 590 . 20 1 1 A 57 57 CYS N N 57 121.919 123.895 -1.976 1
1 591 . 20 1 1 A 57 57 CYS H H 57 8.496 8.244 0.252 1
1 592 . 20 1 1 A 57 57 CYS CA C 57 59.030 57.874 1.156 1
1 593 . 20 1 1 A 57 57 CYS HA H 57 4.690 5.132 -0.442 1
1 594 . 20 1 1 A 57 57 CYS CB C 57 29.620 29.302 0.318 1
1 596 . 20 1 1 A 57 57 CYS C C 57 173.871 174.223 -0.352 1
1 598 . 20 1 1 A 58 58 HIS N N 58 123.415 124.321 -0.906 1
1 599 . 20 1 1 A 58 58 HIS H H 58 8.961 8.755 0.206 1
1 600 . 20 1 1 A 58 58 HIS CA C 58 56.751 56.742 0.009 1
1 601 . 20 1 1 A 58 58 HIS HA H 58 4.725 4.676 0.049 1
1 602 . 20 1 1 A 58 58 HIS CB C 58 31.813 29.932 1.881 1
1 608 . 20 1 1 A 58 58 HIS C C 58 174.903 173.597 1.306 1
1 610 . 20 1 1 A 59 59 VAL N N 59 128.900 129.325 -0.425 1
1 611 . 20 1 1 A 59 59 VAL H H 59 8.521 8.961 -0.440 1
1 612 . 20 1 1 A 59 59 VAL CA C 59 61.131 61.141 -0.010 1
1 613 . 20 1 1 A 59 59 VAL HA H 59 5.142 4.886 0.256 1
1 614 . 20 1 1 A 59 59 VAL CB C 59 33.825 33.436 0.389 1
1 624 . 20 1 1 A 59 59 VAL C C 59 175.539 174.580 0.959 1
1 625 . 20 1 1 A 60 60 SER N N 60 120.428 122.150 -1.722 1
1 626 . 20 1 1 A 60 60 SER H H 60 8.995 8.630 0.365 1
1 627 . 20 1 1 A 60 60 SER CA C 60 56.782 56.569 0.213 1
1 628 . 20 1 1 A 60 60 SER HA H 60 4.823 5.294 -0.471 1
1 629 . 20 1 1 A 60 60 SER CB C 60 65.880 65.317 0.563 1
1 631 . 20 1 1 A 60 60 SER C C 60 172.353 172.432 -0.079 1
1 633 . 20 1 1 A 61 61 GLU N N 61 125.163 126.301 -1.138 1
1 634 . 20 1 1 A 61 61 GLU H H 61 8.894 8.710 0.184 1
1 635 . 20 1 1 A 61 61 GLU CA C 61 57.081 55.248 1.833 1
1 636 . 20 1 1 A 61 61 GLU HA H 61 3.545 4.039 -0.494 1
1 637 . 20 1 1 A 61 61 GLU CB C 61 30.675 29.239 1.436 1
1 641 . 20 1 1 A 61 61 GLU C C 61 176.353 175.415 0.938 1
1 644 . 20 1 1 A 62 62 LEU N N 62 129.563 128.792 0.771 1
1 645 . 20 1 1 A 62 62 LEU H H 62 8.800 8.762 0.038 1
1 646 . 20 1 1 A 62 62 LEU CA C 62 56.462 55.797 0.665 1
1 647 . 20 1 1 A 62 62 LEU HA H 62 4.341 4.337 0.004 1
1 648 . 20 1 1 A 62 62 LEU CB C 62 44.020 42.737 1.283 1
1 660 . 20 1 1 A 62 62 LEU C C 62 176.662 176.878 -0.216 1
1 662 . 20 1 1 A 63 63 GLU N N 63 117.143 117.699 -0.556 1
1 663 . 20 1 1 A 63 63 GLU H H 63 8.292 7.296 0.996 1
1 664 . 20 1 1 A 63 63 GLU CA C 63 53.777 53.169 0.608 1
1 665 . 20 1 1 A 63 63 GLU HA H 63 4.655 4.687 -0.032 1
1 666 . 20 1 1 A 63 63 GLU CB C 63 29.768 31.295 -1.527 1
1 670 . 20 1 1 A 63 63 GLU C C 63 172.058 176.112 -4.054 1
1 673 . 20 1 1 A 64 64 PRO CA C 64 65.767 64.449 1.318 1
1 674 . 20 1 1 A 64 64 PRO HA H 64 4.227 4.499 -0.272 1
1 675 . 20 1 1 A 64 64 PRO CB C 64 31.005 31.994 -0.989 1
1 681 . 20 1 1 A 64 64 PRO C C 64 177.068 176.576 0.492 1
1 685 . 20 1 1 A 65 65 ASP N N 65 118.425 116.724 1.701 1
1 686 . 20 1 1 A 65 65 ASP H H 65 8.965 8.377 0.588 1
1 687 . 20 1 1 A 65 65 ASP CA C 65 55.827 54.120 1.707 1
1 688 . 20 1 1 A 65 65 ASP HA H 65 4.589 4.966 -0.377 1
1 689 . 20 1 1 A 65 65 ASP CB C 65 43.713 42.697 1.016 1
1 691 . 20 1 1 A 65 65 ASP C C 65 174.921 174.964 -0.043 1
1 693 . 20 1 1 A 66 66 LYS N N 66 120.940 120.610 0.330 1
1 694 . 20 1 1 A 66 66 LYS H H 66 8.476 7.567 0.909 1
1 695 . 20 1 1 A 66 66 LYS CA C 66 55.938 55.523 0.415 1
1 696 . 20 1 1 A 66 66 LYS HA H 66 5.476 5.153 0.323 1
1 697 . 20 1 1 A 66 66 LYS CB C 66 36.812 36.187 0.625 1
1 705 . 20 1 1 A 66 66 LYS C C 66 173.912 174.306 -0.394 1
1 710 . 20 1 1 A 67 67 TYR N N 67 126.047 123.419 2.628 1
1 711 . 20 1 1 A 67 67 TYR H H 67 9.291 8.788 0.503 1
1 712 . 20 1 1 A 67 67 TYR CA C 67 56.589 56.451 0.138 1
1 713 . 20 1 1 A 67 67 TYR HA H 67 5.136 5.326 -0.190 1
1 714 . 20 1 1 A 67 67 TYR CB C 67 41.933 43.669 -1.736 1
1 724 . 20 1 1 A 67 67 TYR C C 67 174.424 174.444 -0.020 1
1 726 . 20 1 1 A 68 68 ALA N N 68 123.234 122.576 0.658 1
1 727 . 20 1 1 A 68 68 ALA H H 68 9.393 8.329 1.064 1
1 728 . 20 1 1 A 68 68 ALA CA C 68 50.620 50.529 0.091 1
1 729 . 20 1 1 A 68 68 ALA HA H 68 5.002 5.591 -0.589 1
1 730 . 20 1 1 A 68 68 ALA CB C 68 21.211 23.503 -2.292 1
1 734 . 20 1 1 A 68 68 ALA C C 68 176.258 175.613 0.645 1
1 735 . 20 1 1 A 69 69 VAL N N 69 121.910 119.916 1.994 1
1 736 . 20 1 1 A 69 69 VAL H H 69 8.412 8.223 0.189 1
1 737 . 20 1 1 A 69 69 VAL CA C 69 61.147 61.363 -0.216 1
1 738 . 20 1 1 A 69 69 VAL HA H 69 4.587 4.822 -0.235 1
1 739 . 20 1 1 A 69 69 VAL CB C 69 32.409 34.096 -1.687 1
1 749 . 20 1 1 A 69 69 VAL C C 69 174.300 173.820 0.480 1
1 750 . 20 1 1 A 70 70 ARG N N 70 125.218 129.810 -4.592 1
1 751 . 20 1 1 A 70 70 ARG H H 70 8.926 9.163 -0.237 1
1 752 . 20 1 1 A 70 70 ARG CA C 70 54.404 54.784 -0.380 1
1 753 . 20 1 1 A 70 70 ARG HA H 70 5.665 5.059 0.606 1
1 754 . 20 1 1 A 70 70 ARG CB C 70 34.966 31.678 3.288 1
1 760 . 20 1 1 A 70 70 ARG C C 70 175.124 175.266 -0.142 1
1 764 . 20 1 1 A 71 71 PHE N N 71 120.657 120.432 0.225 1
1 765 . 20 1 1 A 71 71 PHE H H 71 8.780 9.132 -0.352 1
1 766 . 20 1 1 A 71 71 PHE CA C 71 55.969 56.086 -0.117 1
1 767 . 20 1 1 A 71 71 PHE HA H 71 5.082 5.180 -0.098 1
1 768 . 20 1 1 A 71 71 PHE CB C 71 41.335 41.006 0.329 1
1 780 . 20 1 1 A 71 71 PHE C C 71 171.920 172.181 -0.261 1
1 782 . 20 1 1 A 72 72 ILE N N 72 120.347 121.112 -0.765 1
1 783 . 20 1 1 A 72 72 ILE H H 72 8.714 9.030 -0.316 1
1 784 . 20 1 1 A 72 72 ILE CA C 72 57.669 58.118 -0.449 1
1 785 . 20 1 1 A 72 72 ILE HA H 72 4.469 4.561 -0.092 1
1 786 . 20 1 1 A 72 72 ILE CB C 72 39.824 38.916 0.908 1
1 798 . 20 1 1 A 72 72 ILE C C 72 173.612 174.902 -1.290 1
1 800 . 20 1 1 A 73 73 PRO CA C 73 62.050 62.262 -0.212 1
1 801 . 20 1 1 A 73 73 PRO HA H 73 4.493 4.731 -0.238 1
1 802 . 20 1 1 A 73 73 PRO CB C 73 33.680 29.058 4.622 1
1 808 . 20 1 1 A 73 73 PRO C C 73 176.990 175.442 1.548 1
1 812 . 20 1 1 A 74 74 HIS N N 74 119.655 117.634 2.021 1
1 813 . 20 1 1 A 74 74 HIS H H 74 10.240 8.500 1.740 1
1 814 . 20 1 1 A 74 74 HIS CA C 74 54.660 53.809 0.851 1
1 815 . 20 1 1 A 74 74 HIS HA H 74 5.035 5.689 -0.654 1
1 816 . 20 1 1 A 74 74 HIS CB C 74 30.530 31.659 -1.129 1
1 822 . 20 1 1 A 74 74 HIS C C 74 173.624 174.196 -0.572 1
1 824 . 20 1 1 A 75 75 GLU N N 75 118.178 123.323 -5.145 1
1 825 . 20 1 1 A 75 75 GLU H H 75 7.772 8.761 -0.989 1
1 826 . 20 1 1 A 75 75 GLU CA C 75 54.166 54.168 -0.002 1
1 827 . 20 1 1 A 75 75 GLU HA H 75 4.654 4.784 -0.130 1
1 828 . 20 1 1 A 75 75 GLU CB C 75 33.422 33.355 0.067 1
1 832 . 20 1 1 A 75 75 GLU C C 75 173.599 176.179 -2.580 1
1 835 . 20 1 1 A 76 76 ASN N N 76 116.760 117.328 -0.568 1
1 836 . 20 1 1 A 76 76 ASN H H 76 8.530 8.645 -0.115 1
1 837 . 20 1 1 A 76 76 ASN CA C 76 53.486 52.068 1.418 1
1 838 . 20 1 1 A 76 76 ASN HA H 76 4.606 5.019 -0.413 1
1 839 . 20 1 1 A 76 76 ASN CB C 76 40.184 38.884 1.300 1
1 844 . 20 1 1 A 76 76 ASN C C 76 175.598 175.090 0.508 1
1 846 . 20 1 1 A 77 77 GLY N N 77 106.497 107.803 -1.306 1
1 847 . 20 1 1 A 77 77 GLY H H 77 9.152 7.542 1.610 1
1 848 . 20 1 1 A 77 77 GLY CA C 77 43.752 46.081 -2.329 1
1 849 . 20 1 1 A 77 77 GLY HA3 H 77 4.797 4.078 0.719 1
1 850 . 20 1 1 A 77 77 GLY C C 77 176.329 171.937 4.392 1
1 851 . 20 1 1 A 77 77 GLY HA2 H 77 3.897 4.055 -0.158 1
1 852 . 20 1 1 A 78 78 VAL N N 78 124.582 122.024 2.558 1
1 853 . 20 1 1 A 78 78 VAL H H 78 9.334 8.306 1.028 1
1 854 . 20 1 1 A 78 78 VAL CA C 78 64.642 60.523 4.119 1
1 855 . 20 1 1 A 78 78 VAL HA H 78 4.399 5.027 -0.628 1
1 856 . 20 1 1 A 78 78 VAL CB C 78 31.464 34.298 -2.834 1
1 866 . 20 1 1 A 78 78 VAL C C 78 176.269 175.170 1.099 1
1 867 . 20 1 1 A 79 79 HIS N N 79 129.160 126.039 3.121 1
1 868 . 20 1 1 A 79 79 HIS H H 79 9.854 8.954 0.900 1
1 869 . 20 1 1 A 79 79 HIS CA C 79 55.150 56.134 -0.984 1
1 870 . 20 1 1 A 79 79 HIS HA H 79 4.921 5.096 -0.175 1
1 871 . 20 1 1 A 79 79 HIS CB C 79 30.772 32.002 -1.230 1
1 877 . 20 1 1 A 79 79 HIS C C 79 174.062 175.270 -1.208 1
1 879 . 20 1 1 A 80 80 THR N N 80 116.006 115.444 0.562 1
1 880 . 20 1 1 A 80 80 THR H H 80 8.526 8.353 0.173 1
1 881 . 20 1 1 A 80 80 THR CA C 80 60.983 61.766 -0.783 1
1 882 . 20 1 1 A 80 80 THR HA H 80 5.380 5.304 0.076 1
1 883 . 20 1 1 A 80 80 THR CB C 80 70.590 71.366 -0.776 1
1 889 . 20 1 1 A 80 80 THR C C 80 173.671 173.190 0.481 1
1 890 . 20 1 1 A 81 81 ILE N N 81 127.414 128.856 -1.442 1
1 891 . 20 1 1 A 81 81 ILE H H 81 9.745 9.645 0.100 1
1 892 . 20 1 1 A 81 81 ILE CA C 81 60.037 60.643 -0.606 1
1 893 . 20 1 1 A 81 81 ILE HA H 81 4.867 4.652 0.215 1
1 894 . 20 1 1 A 81 81 ILE CB C 81 39.883 38.394 1.489 1
1 906 . 20 1 1 A 81 81 ILE C C 81 175.279 175.059 0.220 1
1 908 . 20 1 1 A 82 82 ASP N N 82 128.375 127.823 0.552 1
1 909 . 20 1 1 A 82 82 ASP H H 82 9.157 9.022 0.135 1
1 910 . 20 1 1 A 82 82 ASP CA C 82 53.084 53.320 -0.236 1
1 911 . 20 1 1 A 82 82 ASP HA H 82 5.060 5.295 -0.235 1
1 912 . 20 1 1 A 82 82 ASP CB C 82 42.929 42.310 0.619 1
1 914 . 20 1 1 A 82 82 ASP C C 82 175.923 175.132 0.791 1
1 916 . 20 1 1 A 83 83 VAL N N 83 125.651 126.189 -0.538 1
1 917 . 20 1 1 A 83 83 VAL H H 83 9.897 9.087 0.810 1
1 918 . 20 1 1 A 83 83 VAL CA C 83 62.407 61.474 0.933 1
1 919 . 20 1 1 A 83 83 VAL HA H 83 4.553 4.604 -0.051 1
1 920 . 20 1 1 A 83 83 VAL CB C 83 33.233 32.498 0.735 1
1 930 . 20 1 1 A 83 83 VAL C C 83 173.327 174.900 -1.573 1
1 931 . 20 1 1 A 84 84 LYS N N 84 124.405 127.120 -2.715 1
1 932 . 20 1 1 A 84 84 LYS H H 84 8.874 8.743 0.131 1
1 933 . 20 1 1 A 84 84 LYS CA C 84 53.901 54.509 -0.608 1
1 934 . 20 1 1 A 84 84 LYS HA H 84 5.065 4.957 0.108 1
1 935 . 20 1 1 A 84 84 LYS CB C 84 36.851 35.309 1.542 1
1 943 . 20 1 1 A 84 84 LYS C C 84 174.760 174.760 0.000 1
1 948 . 20 1 1 A 85 85 PHE N N 85 120.871 124.189 -3.318 1
1 949 . 20 1 1 A 85 85 PHE H H 85 9.167 9.244 -0.077 1
1 950 . 20 1 1 A 85 85 PHE CA C 85 56.014 57.552 -1.538 1
1 951 . 20 1 1 A 85 85 PHE HA H 85 5.157 4.912 0.245 1
1 952 . 20 1 1 A 85 85 PHE CB C 85 42.916 41.917 0.999 1
1 964 . 20 1 1 A 85 85 PHE C C 85 175.473 174.866 0.607 1
1 966 . 20 1 1 A 86 86 ASN N N 86 126.732 125.413 1.319 1
1 967 . 20 1 1 A 86 86 ASN H H 86 8.714 8.828 -0.114 1
1 968 . 20 1 1 A 86 86 ASN CA C 86 53.835 54.178 -0.343 1
1 969 . 20 1 1 A 86 86 ASN HA H 86 4.216 4.240 -0.024 1
1 970 . 20 1 1 A 86 86 ASN CB C 86 36.789 36.891 -0.102 1
1 975 . 20 1 1 A 86 86 ASN C C 86 175.700 175.686 0.014 1
1 977 . 20 1 1 A 87 87 GLY N N 87 102.449 104.710 -2.261 1
1 978 . 20 1 1 A 87 87 GLY H H 87 8.986 8.596 0.390 1
1 979 . 20 1 1 A 87 87 GLY CA C 87 45.490 46.447 -0.957 1
1 980 . 20 1 1 A 87 87 GLY HA3 H 87 4.223 3.918 0.305 1
1 981 . 20 1 1 A 87 87 GLY C C 87 174.149 173.566 0.583 1
1 982 . 20 1 1 A 87 87 GLY HA2 H 87 3.555 3.916 -0.361 1
1 983 . 20 1 1 A 88 88 SER N N 88 116.260 113.941 2.319 1
1 984 . 20 1 1 A 88 88 SER H H 88 7.670 7.715 -0.045 1
1 985 . 20 1 1 A 88 88 SER CA C 88 57.194 57.478 -0.284 1
1 986 . 20 1 1 A 88 88 SER HA H 88 4.935 4.816 0.119 1
1 987 . 20 1 1 A 88 88 SER CB C 88 65.421 66.070 -0.649 1
1 989 . 20 1 1 A 88 88 SER C C 88 173.491 173.269 0.222 1
1 991 . 20 1 1 A 89 89 HIS N N 89 124.290 125.887 -1.597 1
1 992 . 20 1 1 A 89 89 HIS H H 89 8.847 9.051 -0.204 1
1 993 . 20 1 1 A 89 89 HIS CA C 89 59.048 56.476 2.572 1
1 994 . 20 1 1 A 89 89 HIS HA H 89 4.543 4.896 -0.353 1
1 995 . 20 1 1 A 89 89 HIS CB C 89 32.463 29.732 2.731 1
1 1001 . 20 1 1 A 89 89 HIS C C 89 177.441 175.351 2.090 1
1 1003 . 20 1 1 A 90 90 VAL N N 90 116.253 122.528 -6.275 1
1 1004 . 20 1 1 A 90 90 VAL H H 90 8.283 8.313 -0.030 1
1 1005 . 20 1 1 A 90 90 VAL CA C 90 60.279 62.175 -1.896 1
1 1006 . 20 1 1 A 90 90 VAL HA H 90 4.291 3.996 0.295 1
1 1007 . 20 1 1 A 90 90 VAL CB C 90 31.601 32.557 -0.956 1
1 1017 . 20 1 1 A 90 90 VAL C C 90 176.074 175.857 0.217 1
1 1018 . 20 1 1 A 91 91 VAL N N 91 123.139 124.061 -0.922 1
1 1019 . 20 1 1 A 91 91 VAL H H 91 8.910 8.533 0.377 1
1 1020 . 20 1 1 A 91 91 VAL CA C 91 66.030 63.685 2.345 1
1 1021 . 20 1 1 A 91 91 VAL HA H 91 3.632 3.796 -0.164 1
1 1022 . 20 1 1 A 91 91 VAL CB C 91 30.897 31.509 -0.612 1
1 1032 . 20 1 1 A 91 91 VAL C C 91 177.012 177.111 -0.099 1
1 1033 . 20 1 1 A 92 92 GLY N N 92 116.727 116.464 0.263 1
1 1034 . 20 1 1 A 92 92 GLY H H 92 8.396 8.656 -0.260 1
1 1035 . 20 1 1 A 92 92 GLY CA C 92 44.466 45.316 -0.850 1
1 1036 . 20 1 1 A 92 92 GLY HA3 H 92 4.180 3.636 0.544 1
1 1037 . 20 1 1 A 92 92 GLY C C 92 172.077 172.601 -0.524 1
1 1038 . 20 1 1 A 92 92 GLY HA2 H 92 3.221 3.533 -0.312 1
1 1039 . 20 1 1 A 93 93 SER N N 93 112.885 115.635 -2.750 1
1 1040 . 20 1 1 A 93 93 SER H H 93 7.484 7.612 -0.128 1
1 1041 . 20 1 1 A 93 93 SER CA C 93 54.547 54.745 -0.198 1
1 1042 . 20 1 1 A 93 93 SER HA H 93 4.065 4.717 -0.652 1
1 1043 . 20 1 1 A 93 93 SER CB C 93 62.575 65.064 -2.489 1
1 1045 . 20 1 1 A 93 93 SER C C 93 174.608 173.119 1.489 1
1 1047 . 20 1 1 A 94 94 PRO CA C 94 62.477 62.391 0.086 1
1 1048 . 20 1 1 A 94 94 PRO HA H 94 5.491 4.960 0.531 1
1 1049 . 20 1 1 A 94 94 PRO CB C 94 34.106 32.800 1.306 1
1 1055 . 20 1 1 A 94 94 PRO C C 94 176.779 175.108 1.671 1
1 1059 . 20 1 1 A 95 95 PHE N N 95 123.133 119.423 3.710 1
1 1060 . 20 1 1 A 95 95 PHE H H 95 9.200 8.982 0.218 1
1 1061 . 20 1 1 A 95 95 PHE CA C 95 57.291 56.548 0.743 1
1 1062 . 20 1 1 A 95 95 PHE HA H 95 4.581 5.097 -0.516 1
1 1063 . 20 1 1 A 95 95 PHE CB C 95 41.165 42.369 -1.204 1
1 1075 . 20 1 1 A 95 95 PHE C C 95 175.687 174.443 1.244 1
1 1077 . 20 1 1 A 96 96 LYS N N 96 122.134 118.965 3.169 1
1 1078 . 20 1 1 A 96 96 LYS H H 96 8.790 8.915 -0.125 1
1 1079 . 20 1 1 A 96 96 LYS CA C 96 55.249 54.680 0.569 1
1 1080 . 20 1 1 A 96 96 LYS HA H 96 5.276 5.364 -0.088 1
1 1081 . 20 1 1 A 96 96 LYS CB C 96 33.836 35.407 -1.571 1
1 1089 . 20 1 1 A 96 96 LYS C C 96 176.515 175.647 0.868 1
1 1094 . 20 1 1 A 97 97 VAL N N 97 117.706 117.979 -0.273 1
1 1095 . 20 1 1 A 97 97 VAL H H 97 8.873 8.677 0.196 1
1 1096 . 20 1 1 A 97 97 VAL CA C 97 59.188 58.839 0.349 1
1 1097 . 20 1 1 A 97 97 VAL HA H 97 4.917 4.952 -0.035 1
1 1098 . 20 1 1 A 97 97 VAL CB C 97 35.185 35.983 -0.798 1
1 1108 . 20 1 1 A 97 97 VAL C C 97 173.801 173.444 0.357 1
1 1109 . 20 1 1 A 98 98 ARG N N 98 125.203 122.324 2.879 1
1 1110 . 20 1 1 A 98 98 ARG H H 98 8.826 9.086 -0.260 1
1 1111 . 20 1 1 A 98 98 ARG CA C 98 56.337 54.584 1.753 1
1 1112 . 20 1 1 A 98 98 ARG HA H 98 4.610 5.278 -0.668 1
1 1113 . 20 1 1 A 98 98 ARG CB C 98 32.031 33.331 -1.300 1
1 1119 . 20 1 1 A 98 98 ARG C C 98 174.438 174.967 -0.529 1
1 1123 . 20 1 1 A 99 99 VAL N N 99 127.382 126.747 0.635 1
1 1124 . 20 1 1 A 99 99 VAL H H 99 8.144 8.796 -0.652 1
1 1125 . 20 1 1 A 99 99 VAL CA C 99 61.216 62.187 -0.971 1
1 1126 . 20 1 1 A 99 99 VAL HA H 99 4.115 4.538 -0.423 1
1 1127 . 20 1 1 A 99 99 VAL CB C 99 32.590 32.484 0.106 1
1 1137 . 20 1 1 A 99 99 VAL C C 99 176.994 175.252 1.742 1
1 1138 . 20 1 1 A 100 100 GLY N N 100 117.424 113.865 3.559 1
1 1139 . 20 1 1 A 100 100 GLY H H 100 8.682 7.980 0.702 1
1 1140 . 20 1 1 A 100 100 GLY CA C 100 44.650 45.810 -1.160 1
1 1141 . 20 1 1 A 100 100 GLY HA3 H 100 4.386 4.180 0.206 1
1 1142 . 20 1 1 A 100 100 GLY C C 100 173.180 173.121 0.059 1
1 1143 . 20 1 1 A 100 100 GLY HA2 H 100 3.954 4.180 -0.226 1
1 1144 . 20 1 1 A 101 101 GLU N N 101 119.495 120.368 -0.873 1
1 1145 . 20 1 1 A 101 101 GLU H H 101 8.383 8.582 -0.199 1
1 1146 . 20 1 1 A 101 101 GLU CA C 101 54.168 55.247 -1.079 1
1 1147 . 20 1 1 A 101 101 GLU HA H 101 4.661 4.509 0.152 1
1 1148 . 20 1 1 A 101 101 GLU CB C 101 29.836 29.651 0.185 1
1 1152 . 20 1 1 A 101 101 GLU C C 101 175.458 176.928 -1.470 1
1 1155 . 20 1 1 A 102 102 PRO CA C 102 63.897 64.196 -0.299 1
1 1156 . 20 1 1 A 102 102 PRO HA H 102 4.361 4.471 -0.110 1
1 1157 . 20 1 1 A 102 102 PRO CB C 102 31.946 32.119 -0.173 1
1 1163 . 20 1 1 A 102 102 PRO C C 102 177.509 176.537 0.972 1
1 1167 . 20 1 1 A 103 103 GLY N N 103 109.378 103.540 5.838 1
1 1168 . 20 1 1 A 103 103 GLY H H 103 8.552 7.587 0.965 1
1 1169 . 20 1 1 A 103 103 GLY CA C 103 45.263 44.833 0.430 1
1 1170 . 20 1 1 A 103 103 GLY HA3 H 103 3.962 4.196 -0.234 1
1 1171 . 20 1 1 A 103 103 GLY C C 103 174.277 173.490 0.787 1
1 1172 . 20 1 1 A 103 103 GLY HA2 H 103 3.962 4.194 -0.232 1
1 1173 . 20 1 1 A 104 104 GLN N N 104 119.735 122.862 -3.127 1
1 1174 . 20 1 1 A 104 104 GLN H H 104 8.096 8.425 -0.329 1
1 1175 . 20 1 1 A 104 104 GLN CA C 104 55.924 56.244 -0.320 1
1 1176 . 20 1 1 A 104 104 GLN HA H 104 4.339 4.164 0.175 1
1 1177 . 20 1 1 A 104 104 GLN CB C 104 29.622 28.876 0.746 1
1 1184 . 20 1 1 A 104 104 GLN C C 104 175.669 175.537 0.132 1
1 1187 . 20 1 1 A 105 105 ALA N N 105 125.603 124.430 1.173 1
1 1188 . 20 1 1 A 105 105 ALA H H 105 8.389 8.351 0.038 1
1 1189 . 20 1 1 A 105 105 ALA CA C 105 52.416 53.946 -1.530 1
1 1190 . 20 1 1 A 105 105 ALA HA H 105 4.385 4.058 0.327 1
1 1191 . 20 1 1 A 105 105 ALA CB C 105 19.608 18.443 1.165 1
1 1195 . 20 1 1 A 105 105 ALA C C 105 176.971 178.183 -1.212 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 98 1.192 1
2 1 1 1 "RMS(OBS, PRED)" CA 98 1.274 1
3 1 1 1 "RMS(OBS, PRED)" CB 89 1.598 1
4 1 1 1 "RMS(OBS, PRED)" H 91 0.543 1
5 1 1 1 "RMS(OBS, PRED)" HA 107 0.389 1
6 1 1 1 "RMS(OBS, PRED)" N 91 2.498 1
7 1 2 1 "RMS(OBS, PRED)" C 98 1.116 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.291 1
9 1 2 1 "RMS(OBS, PRED)" CB 89 1.569 1
10 1 2 1 "RMS(OBS, PRED)" H 91 0.514 1
11 1 2 1 "RMS(OBS, PRED)" HA 107 0.376 1
12 1 2 1 "RMS(OBS, PRED)" N 91 2.745 1
13 1 3 1 "RMS(OBS, PRED)" C 98 1.080 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.180 1
15 1 3 1 "RMS(OBS, PRED)" CB 89 1.455 1
16 1 3 1 "RMS(OBS, PRED)" H 91 0.542 1
17 1 3 1 "RMS(OBS, PRED)" HA 107 0.360 1
18 1 3 1 "RMS(OBS, PRED)" N 91 2.375 1
19 1 4 1 "RMS(OBS, PRED)" C 98 1.173 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.246 1
21 1 4 1 "RMS(OBS, PRED)" CB 89 1.495 1
22 1 4 1 "RMS(OBS, PRED)" H 91 0.538 1
23 1 4 1 "RMS(OBS, PRED)" HA 107 0.364 1
24 1 4 1 "RMS(OBS, PRED)" N 91 2.427 1
25 1 5 1 "RMS(OBS, PRED)" C 98 1.158 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.193 1
27 1 5 1 "RMS(OBS, PRED)" CB 89 1.464 1
28 1 5 1 "RMS(OBS, PRED)" H 91 0.533 1
29 1 5 1 "RMS(OBS, PRED)" HA 107 0.378 1
30 1 5 1 "RMS(OBS, PRED)" N 91 2.528 1
31 1 6 1 "RMS(OBS, PRED)" C 98 1.128 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.237 1
33 1 6 1 "RMS(OBS, PRED)" CB 89 1.525 1
34 1 6 1 "RMS(OBS, PRED)" H 91 0.543 1
35 1 6 1 "RMS(OBS, PRED)" HA 107 0.370 1
36 1 6 1 "RMS(OBS, PRED)" N 91 2.521 1
37 1 7 1 "RMS(OBS, PRED)" C 98 1.118 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.139 1
39 1 7 1 "RMS(OBS, PRED)" CB 89 1.510 1
40 1 7 1 "RMS(OBS, PRED)" H 91 0.530 1
41 1 7 1 "RMS(OBS, PRED)" HA 107 0.374 1
42 1 7 1 "RMS(OBS, PRED)" N 91 2.525 1
43 1 8 1 "RMS(OBS, PRED)" C 98 1.110 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.200 1
45 1 8 1 "RMS(OBS, PRED)" CB 89 1.482 1
46 1 8 1 "RMS(OBS, PRED)" H 91 0.539 1
47 1 8 1 "RMS(OBS, PRED)" HA 107 0.366 1
48 1 8 1 "RMS(OBS, PRED)" N 91 2.600 1
49 1 9 1 "RMS(OBS, PRED)" C 98 1.100 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.208 1
51 1 9 1 "RMS(OBS, PRED)" CB 89 1.501 1
52 1 9 1 "RMS(OBS, PRED)" H 91 0.541 1
53 1 9 1 "RMS(OBS, PRED)" HA 107 0.373 1
54 1 9 1 "RMS(OBS, PRED)" N 91 2.514 1
55 1 10 1 "RMS(OBS, PRED)" C 98 1.110 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.247 1
57 1 10 1 "RMS(OBS, PRED)" CB 89 1.501 1
58 1 10 1 "RMS(OBS, PRED)" H 91 0.534 1
59 1 10 1 "RMS(OBS, PRED)" HA 107 0.365 1
60 1 10 1 "RMS(OBS, PRED)" N 91 2.621 1
61 1 11 1 "RMS(OBS, PRED)" C 98 1.151 1
62 1 11 1 "RMS(OBS, PRED)" CA 98 1.183 1
63 1 11 1 "RMS(OBS, PRED)" CB 89 1.484 1
64 1 11 1 "RMS(OBS, PRED)" H 91 0.575 1
65 1 11 1 "RMS(OBS, PRED)" HA 107 0.367 1
66 1 11 1 "RMS(OBS, PRED)" N 91 2.633 1
67 1 12 1 "RMS(OBS, PRED)" C 98 1.072 1
68 1 12 1 "RMS(OBS, PRED)" CA 98 1.239 1
69 1 12 1 "RMS(OBS, PRED)" CB 89 1.346 1
70 1 12 1 "RMS(OBS, PRED)" H 91 0.529 1
71 1 12 1 "RMS(OBS, PRED)" HA 107 0.349 1
72 1 12 1 "RMS(OBS, PRED)" N 91 2.346 1
73 1 13 1 "RMS(OBS, PRED)" C 98 1.102 1
74 1 13 1 "RMS(OBS, PRED)" CA 98 1.180 1
75 1 13 1 "RMS(OBS, PRED)" CB 89 1.548 1
76 1 13 1 "RMS(OBS, PRED)" H 91 0.555 1
77 1 13 1 "RMS(OBS, PRED)" HA 107 0.388 1
78 1 13 1 "RMS(OBS, PRED)" N 91 2.647 1
79 1 14 1 "RMS(OBS, PRED)" C 98 1.110 1
80 1 14 1 "RMS(OBS, PRED)" CA 98 1.134 1
81 1 14 1 "RMS(OBS, PRED)" CB 89 1.470 1
82 1 14 1 "RMS(OBS, PRED)" H 91 0.522 1
83 1 14 1 "RMS(OBS, PRED)" HA 107 0.351 1
84 1 14 1 "RMS(OBS, PRED)" N 91 2.594 1
85 1 15 1 "RMS(OBS, PRED)" C 98 1.146 1
86 1 15 1 "RMS(OBS, PRED)" CA 98 1.346 1
87 1 15 1 "RMS(OBS, PRED)" CB 89 1.528 1
88 1 15 1 "RMS(OBS, PRED)" H 91 0.527 1
89 1 15 1 "RMS(OBS, PRED)" HA 107 0.388 1
90 1 15 1 "RMS(OBS, PRED)" N 91 2.672 1
91 1 16 1 "RMS(OBS, PRED)" C 98 1.126 1
92 1 16 1 "RMS(OBS, PRED)" CA 98 1.192 1
93 1 16 1 "RMS(OBS, PRED)" CB 89 1.575 1
94 1 16 1 "RMS(OBS, PRED)" H 91 0.533 1
95 1 16 1 "RMS(OBS, PRED)" HA 107 0.386 1
96 1 16 1 "RMS(OBS, PRED)" N 91 2.541 1
97 1 17 1 "RMS(OBS, PRED)" C 98 1.145 1
98 1 17 1 "RMS(OBS, PRED)" CA 98 1.247 1
99 1 17 1 "RMS(OBS, PRED)" CB 89 1.527 1
100 1 17 1 "RMS(OBS, PRED)" H 91 0.565 1
101 1 17 1 "RMS(OBS, PRED)" HA 107 0.365 1
102 1 17 1 "RMS(OBS, PRED)" N 91 2.556 1
103 1 18 1 "RMS(OBS, PRED)" C 98 1.076 1
104 1 18 1 "RMS(OBS, PRED)" CA 98 1.210 1
105 1 18 1 "RMS(OBS, PRED)" CB 89 1.529 1
106 1 18 1 "RMS(OBS, PRED)" H 91 0.541 1
107 1 18 1 "RMS(OBS, PRED)" HA 107 0.373 1
108 1 18 1 "RMS(OBS, PRED)" N 91 2.570 1
109 1 19 1 "RMS(OBS, PRED)" C 98 1.035 1
110 1 19 1 "RMS(OBS, PRED)" CA 98 1.181 1
111 1 19 1 "RMS(OBS, PRED)" CB 89 1.509 1
112 1 19 1 "RMS(OBS, PRED)" H 91 0.567 1
113 1 19 1 "RMS(OBS, PRED)" HA 107 0.362 1
114 1 19 1 "RMS(OBS, PRED)" N 91 2.589 1
115 1 20 1 "RMS(OBS, PRED)" C 98 1.079 1
116 1 20 1 "RMS(OBS, PRED)" CA 98 1.192 1
117 1 20 1 "RMS(OBS, PRED)" CB 89 1.444 1
118 1 20 1 "RMS(OBS, PRED)" H 91 0.530 1
119 1 20 1 "RMS(OBS, PRED)" HA 107 0.365 1
120 1 20 1 "RMS(OBS, PRED)" N 91 2.415 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 8 8 SER CA C 8 59.066 58.255 0.811 2
1 2 . 1 1 A 8 8 SER HA H 8 4.444 4.634 -0.190 2
1 3 . 1 1 A 8 8 SER CB C 8 63.749 64.362 -0.613 2
1 5 . 1 1 A 8 8 SER C C 8 174.832 173.558 1.274 2
1 7 . 1 1 A 9 9 ASP N N 9 122.244 123.560 -1.316 2
1 8 . 1 1 A 9 9 ASP H H 9 8.460 8.645 -0.185 2
1 9 . 1 1 A 9 9 ASP CA C 9 54.943 53.645 1.298 2
1 10 . 1 1 A 9 9 ASP HA H 9 4.730 4.969 -0.239 2
1 11 . 1 1 A 9 9 ASP CB C 9 41.125 42.920 -1.795 2
1 13 . 1 1 A 9 9 ASP C C 9 176.845 175.352 1.493 2
1 15 . 1 1 A 10 10 ASP N N 10 120.929 120.236 0.694 2
1 16 . 1 1 A 10 10 ASP H H 10 8.121 8.882 -0.761 2
1 17 . 1 1 A 10 10 ASP CA C 10 55.841 53.429 2.412 2
1 18 . 1 1 A 10 10 ASP HA H 10 4.523 4.967 -0.444 2
1 19 . 1 1 A 10 10 ASP CB C 10 41.834 40.574 1.260 2
1 21 . 1 1 A 10 10 ASP C C 10 177.047 176.235 0.812 2
1 23 . 1 1 A 11 11 ALA N N 11 122.815 123.006 -0.191 2
1 24 . 1 1 A 11 11 ALA H H 11 8.520 8.255 0.265 2
1 25 . 1 1 A 11 11 ALA CA C 11 54.828 54.531 0.297 2
1 26 . 1 1 A 11 11 ALA HA H 11 4.004 3.893 0.110 2
1 27 . 1 1 A 11 11 ALA CB C 11 19.454 18.895 0.559 2
1 31 . 1 1 A 11 11 ALA C C 11 179.280 179.189 0.091 2
1 32 . 1 1 A 12 12 ARG N N 12 115.782 117.130 -1.348 2
1 33 . 1 1 A 12 12 ARG H H 12 8.159 8.065 0.094 2
1 34 . 1 1 A 12 12 ARG CA C 12 57.578 58.320 -0.742 2
1 35 . 1 1 A 12 12 ARG HA H 12 4.310 4.139 0.171 2
1 36 . 1 1 A 12 12 ARG CB C 12 29.817 29.898 -0.081 2
1 42 . 1 1 A 12 12 ARG C C 12 176.412 177.637 -1.225 2
1 46 . 1 1 A 13 13 ARG N N 13 117.438 118.120 -0.682 2
1 47 . 1 1 A 13 13 ARG H H 13 7.858 7.652 0.206 2
1 48 . 1 1 A 13 13 ARG CA C 13 56.855 56.430 0.425 2
1 49 . 1 1 A 13 13 ARG HA H 13 4.183 4.304 -0.121 2
1 50 . 1 1 A 13 13 ARG CB C 13 30.976 29.566 1.410 2
1 56 . 1 1 A 13 13 ARG C C 13 176.451 175.225 1.226 2
1 60 . 1 1 A 14 14 LEU N N 14 121.077 121.320 -0.243 2
1 61 . 1 1 A 14 14 LEU H H 14 6.925 7.437 -0.512 2
1 62 . 1 1 A 14 14 LEU CA C 14 56.582 54.166 2.416 2
1 63 . 1 1 A 14 14 LEU HA H 14 4.394 4.665 -0.271 2
1 64 . 1 1 A 14 14 LEU CB C 14 42.968 44.584 -1.616 2
1 76 . 1 1 A 14 14 LEU C C 14 177.296 175.630 1.666 2
1 78 . 1 1 A 15 15 THR N N 15 115.028 119.824 -4.796 2
1 79 . 1 1 A 15 15 THR H H 15 8.716 8.697 0.019 2
1 80 . 1 1 A 15 15 THR CA C 15 61.169 61.688 -0.519 2
1 81 . 1 1 A 15 15 THR HA H 15 4.667 4.998 -0.331 2
1 82 . 1 1 A 15 15 THR CB C 15 71.348 71.075 0.273 2
1 88 . 1 1 A 15 15 THR C C 15 173.454 173.369 0.085 2
1 89 . 1 1 A 16 16 VAL N N 16 126.736 127.095 -0.359 2
1 90 . 1 1 A 16 16 VAL H H 16 8.727 8.841 -0.114 2
1 91 . 1 1 A 16 16 VAL CA C 16 62.600 61.563 1.037 2
1 92 . 1 1 A 16 16 VAL HA H 16 4.539 4.480 0.059 2
1 93 . 1 1 A 16 16 VAL CB C 16 32.521 32.408 0.113 2
1 103 . 1 1 A 16 16 VAL C C 16 175.348 175.091 0.257 2
1 104 . 1 1 A 17 17 MET N N 17 126.444 125.040 1.404 2
1 105 . 1 1 A 17 17 MET H H 17 9.255 8.828 0.427 2
1 106 . 1 1 A 17 17 MET CA C 17 54.872 54.133 0.739 2
1 107 . 1 1 A 17 17 MET HA H 17 4.806 4.877 -0.071 2
1 108 . 1 1 A 17 17 MET CB C 17 35.443 35.633 -0.190 2
1 116 . 1 1 A 17 17 MET C C 17 174.681 175.779 -1.098 2
1 119 . 1 1 A 18 18 SER N N 18 112.443 114.296 -1.853 2
1 120 . 1 1 A 18 18 SER H H 18 8.568 8.673 -0.105 2
1 121 . 1 1 A 18 18 SER CA C 18 58.711 58.869 -0.158 2
1 122 . 1 1 A 18 18 SER HA H 18 4.018 4.036 -0.018 2
1 123 . 1 1 A 18 18 SER CB C 18 62.009 61.794 0.215 2
1 125 . 1 1 A 18 18 SER C C 18 173.373 173.273 0.100 2
1 127 . 1 1 A 19 19 LEU N N 19 122.011 121.504 0.507 2
1 128 . 1 1 A 19 19 LEU H H 19 7.996 7.702 0.294 2
1 129 . 1 1 A 19 19 LEU CA C 19 54.978 53.868 1.110 2
1 130 . 1 1 A 19 19 LEU HA H 19 4.283 4.850 -0.567 2
1 131 . 1 1 A 19 19 LEU CB C 19 41.955 44.164 -2.209 2
1 143 . 1 1 A 19 19 LEU C C 19 176.135 175.401 0.734 2
1 145 . 1 1 A 20 20 GLN N N 20 127.739 126.461 1.278 2
1 146 . 1 1 A 20 20 GLN H H 20 8.669 8.670 -0.001 2
1 147 . 1 1 A 20 20 GLN CA C 20 55.617 55.247 0.370 2
1 148 . 1 1 A 20 20 GLN HA H 20 4.400 4.605 -0.205 2
1 149 . 1 1 A 20 20 GLN CB C 20 29.298 30.117 -0.819 2
1 156 . 1 1 A 20 20 GLN C C 20 175.033 175.377 -0.344 2
1 159 . 1 1 A 21 21 GLU N N 21 121.152 123.345 -2.193 2
1 160 . 1 1 A 21 21 GLU H H 21 8.546 9.045 -0.499 2
1 161 . 1 1 A 21 21 GLU CA C 21 57.598 57.571 0.027 2
1 162 . 1 1 A 21 21 GLU HA H 21 4.310 4.532 -0.222 2
1 163 . 1 1 A 21 21 GLU CB C 21 30.764 31.430 -0.666 2
1 167 . 1 1 A 21 21 GLU C C 21 176.581 177.306 -0.725 2
1 170 . 1 1 A 22 22 SER N N 22 113.328 110.983 2.345 2
1 171 . 1 1 A 22 22 SER H H 22 8.018 7.997 0.021 2
1 172 . 1 1 A 22 22 SER CA C 22 57.682 57.070 0.612 2
1 173 . 1 1 A 22 22 SER HA H 22 4.997 4.868 0.129 2
1 174 . 1 1 A 22 22 SER CB C 22 64.489 63.654 0.835 2
1 176 . 1 1 A 22 22 SER C C 22 174.062 175.209 -1.147 2
1 178 . 1 1 A 23 23 GLY N N 23 109.317 109.704 -0.387 2
1 179 . 1 1 A 23 23 GLY H H 23 8.828 7.889 0.939 2
1 180 . 1 1 A 23 23 GLY CA C 23 45.609 45.539 0.070 2
1 181 . 1 1 A 23 23 GLY HA3 H 23 4.116 4.070 0.046 2
1 182 . 1 1 A 23 23 GLY C C 23 174.629 173.960 0.669 2
1 183 . 1 1 A 23 23 GLY HA2 H 23 3.832 4.068 -0.236 2
1 184 . 1 1 A 24 24 LEU N N 24 120.545 121.076 -0.531 2
1 185 . 1 1 A 24 24 LEU H H 24 7.559 7.400 0.159 2
1 186 . 1 1 A 24 24 LEU CA C 24 55.569 54.689 0.880 2
1 187 . 1 1 A 24 24 LEU HA H 24 4.310 4.442 -0.132 2
1 188 . 1 1 A 24 24 LEU CB C 24 42.978 42.496 0.482 2
1 200 . 1 1 A 24 24 LEU C C 24 176.704 175.975 0.729 2
1 202 . 1 1 A 25 25 LYS N N 25 122.188 120.275 1.913 2
1 203 . 1 1 A 25 25 LYS H H 25 8.828 8.606 0.222 2
1 204 . 1 1 A 25 25 LYS CA C 25 54.686 54.654 0.032 2
1 205 . 1 1 A 25 25 LYS HA H 25 4.676 4.987 -0.311 2
1 206 . 1 1 A 25 25 LYS CB C 25 35.736 35.592 0.144 2
1 214 . 1 1 A 25 25 LYS C C 25 175.885 176.430 -0.545 2
1 219 . 1 1 A 26 26 VAL N N 26 121.689 123.931 -2.242 2
1 220 . 1 1 A 26 26 VAL H H 26 8.503 8.574 -0.071 2
1 221 . 1 1 A 26 26 VAL CA C 26 64.069 62.245 1.824 2
1 222 . 1 1 A 26 26 VAL HA H 26 3.218 4.117 -0.899 2
1 223 . 1 1 A 26 26 VAL CB C 26 31.636 32.359 -0.723 2
1 233 . 1 1 A 26 26 VAL C C 26 175.837 175.746 0.091 2
1 234 . 1 1 A 27 27 ASN N N 27 116.772 119.325 -2.553 2
1 235 . 1 1 A 27 27 ASN H H 27 8.682 9.030 -0.348 2
1 236 . 1 1 A 27 27 ASN CA C 27 55.183 54.311 0.872 2
1 237 . 1 1 A 27 27 ASN HA H 27 4.138 4.335 -0.197 2
1 238 . 1 1 A 27 27 ASN CB C 27 37.242 37.128 0.114 2
1 243 . 1 1 A 27 27 ASN C C 27 173.308 173.893 -0.584 2
1 245 . 1 1 A 28 28 GLN N N 28 118.793 117.274 1.519 2
1 246 . 1 1 A 28 28 GLN H H 28 7.544 7.630 -0.086 2
1 247 . 1 1 A 28 28 GLN CA C 28 52.212 52.506 -0.294 2
1 248 . 1 1 A 28 28 GLN HA H 28 4.893 4.723 0.170 2
1 249 . 1 1 A 28 28 GLN CB C 28 30.060 31.194 -1.134 2
1 256 . 1 1 A 28 28 GLN C C 28 173.078 173.322 -0.244 2
1 259 . 1 1 A 29 29 PRO CA C 29 63.563 62.804 0.759 2
1 260 . 1 1 A 29 29 PRO HA H 29 4.294 4.610 -0.316 2
1 261 . 1 1 A 29 29 PRO CB C 29 31.874 31.661 0.213 2
1 267 . 1 1 A 29 29 PRO C C 29 175.250 175.759 -0.509 2
1 271 . 1 1 A 30 30 ALA N N 30 128.803 126.572 2.231 2
1 272 . 1 1 A 30 30 ALA H H 30 8.887 8.202 0.685 2
1 273 . 1 1 A 30 30 ALA CA C 30 50.558 50.530 0.028 2
1 274 . 1 1 A 30 30 ALA HA H 30 4.539 4.893 -0.354 2
1 275 . 1 1 A 30 30 ALA CB C 30 21.602 21.516 0.086 2
1 279 . 1 1 A 30 30 ALA C C 30 175.510 175.624 -0.114 2
1 280 . 1 1 A 31 31 SER N N 31 112.512 116.103 -3.591 2
1 281 . 1 1 A 31 31 SER H H 31 8.214 8.846 -0.632 2
1 282 . 1 1 A 31 31 SER CA C 31 56.701 56.248 0.453 2
1 283 . 1 1 A 31 31 SER HA H 31 5.832 5.666 0.166 2
1 284 . 1 1 A 31 31 SER CB C 31 66.721 66.357 0.364 2
1 286 . 1 1 A 31 31 SER C C 31 173.379 173.391 -0.012 2
1 288 . 1 1 A 32 32 PHE N N 32 119.232 118.270 0.962 2
1 289 . 1 1 A 32 32 PHE H H 32 8.798 8.298 0.500 2
1 290 . 1 1 A 32 32 PHE CA C 32 56.218 55.576 0.642 2
1 291 . 1 1 A 32 32 PHE HA H 32 4.925 5.535 -0.610 2
1 292 . 1 1 A 32 32 PHE CB C 32 39.752 41.982 -2.230 2
1 304 . 1 1 A 32 32 PHE C C 32 172.709 172.567 0.142 2
1 306 . 1 1 A 33 33 ALA N N 33 122.788 122.100 0.688 2
1 307 . 1 1 A 33 33 ALA H H 33 8.827 8.749 0.077 2
1 308 . 1 1 A 33 33 ALA CA C 33 50.616 50.113 0.503 2
1 309 . 1 1 A 33 33 ALA HA H 33 5.654 5.559 0.095 2
1 310 . 1 1 A 33 33 ALA CB C 33 22.616 21.923 0.693 2
1 314 . 1 1 A 33 33 ALA C C 33 175.770 176.029 -0.259 2
1 315 . 1 1 A 34 34 ILE N N 34 118.542 122.389 -3.847 2
1 316 . 1 1 A 34 34 ILE H H 34 9.194 9.035 0.159 2
1 317 . 1 1 A 34 34 ILE CA C 34 59.486 60.407 -0.921 2
1 318 . 1 1 A 34 34 ILE HA H 34 4.978 4.707 0.271 2
1 319 . 1 1 A 34 34 ILE CB C 34 42.577 39.574 3.003 2
1 331 . 1 1 A 34 34 ILE C C 34 174.924 174.724 0.200 2
1 333 . 1 1 A 35 35 ARG N N 35 126.774 128.700 -1.926 2
1 334 . 1 1 A 35 35 ARG H H 35 9.038 9.069 -0.031 2
1 335 . 1 1 A 35 35 ARG CA C 35 54.096 56.048 -1.952 2
1 336 . 1 1 A 35 35 ARG HA H 35 5.283 4.755 0.528 2
1 337 . 1 1 A 35 35 ARG CB C 35 32.039 31.455 0.584 2
1 343 . 1 1 A 35 35 ARG C C 35 175.959 174.975 0.984 2
1 347 . 1 1 A 36 36 LEU N N 36 123.887 127.167 -3.280 2
1 348 . 1 1 A 36 36 LEU H H 36 8.648 8.660 -0.012 2
1 349 . 1 1 A 36 36 LEU CA C 36 56.318 53.492 2.826 2
1 350 . 1 1 A 36 36 LEU HA H 36 4.037 4.854 -0.817 2
1 351 . 1 1 A 36 36 LEU CB C 36 41.028 43.446 -2.418 2
1 363 . 1 1 A 36 36 LEU C C 36 177.292 176.427 0.865 2
1 365 . 1 1 A 37 37 ASN N N 37 115.087 122.671 -7.584 2
1 366 . 1 1 A 37 37 ASN H H 37 8.594 8.719 -0.125 2
1 367 . 1 1 A 37 37 ASN CA C 37 54.182 53.093 1.089 2
1 368 . 1 1 A 37 37 ASN HA H 37 4.407 4.833 -0.426 2
1 369 . 1 1 A 37 37 ASN CB C 37 37.687 38.700 -1.013 2
1 374 . 1 1 A 37 37 ASN C C 37 176.277 175.596 0.681 2
1 376 . 1 1 A 38 38 GLY N N 38 106.329 107.654 -1.325 2
1 377 . 1 1 A 38 38 GLY H H 38 9.506 7.948 1.558 2
1 378 . 1 1 A 38 38 GLY CA C 38 45.290 45.533 -0.243 2
1 379 . 1 1 A 38 38 GLY HA3 H 38 4.156 4.024 0.132 2
1 380 . 1 1 A 38 38 GLY C C 38 174.483 174.239 0.244 2
1 381 . 1 1 A 38 38 GLY HA2 H 38 3.617 4.011 -0.394 2
1 382 . 1 1 A 39 39 ALA N N 39 124.015 123.173 0.842 2
1 383 . 1 1 A 39 39 ALA H H 39 7.483 7.842 -0.359 2
1 384 . 1 1 A 39 39 ALA CA C 39 52.396 51.058 1.338 2
1 385 . 1 1 A 39 39 ALA HA H 39 4.280 4.522 -0.242 2
1 386 . 1 1 A 39 39 ALA CB C 39 20.424 20.337 0.087 2
1 390 . 1 1 A 39 39 ALA C C 39 176.275 177.135 -0.860 2
1 391 . 1 1 A 40 40 LYS N N 40 119.513 120.394 -0.881 2
1 392 . 1 1 A 40 40 LYS H H 40 8.685 8.838 -0.153 2
1 393 . 1 1 A 40 40 LYS CA C 40 54.696 55.036 -0.340 2
1 394 . 1 1 A 40 40 LYS HA H 40 4.811 5.224 -0.413 2
1 395 . 1 1 A 40 40 LYS CB C 40 34.324 35.274 -0.950 2
1 403 . 1 1 A 40 40 LYS C C 40 176.004 175.659 0.345 2
1 408 . 1 1 A 41 41 GLY N N 41 111.941 107.709 4.232 2
1 409 . 1 1 A 41 41 GLY H H 41 8.398 8.350 0.048 2
1 410 . 1 1 A 41 41 GLY CA C 41 45.887 45.663 0.224 2
1 411 . 1 1 A 41 41 GLY HA3 H 41 3.722 4.123 -0.401 2
1 412 . 1 1 A 41 41 GLY C C 41 171.021 171.395 -0.374 2
1 413 . 1 1 A 41 41 GLY HA2 H 41 3.722 3.888 -0.166 2
1 414 . 1 1 A 42 42 LYS N N 42 119.600 122.099 -2.499 2
1 415 . 1 1 A 42 42 LYS H H 42 7.293 7.803 -0.510 2
1 416 . 1 1 A 42 42 LYS CA C 42 54.522 54.797 -0.275 2
1 417 . 1 1 A 42 42 LYS HA H 42 4.467 4.762 -0.295 2
1 418 . 1 1 A 42 42 LYS CB C 42 34.979 35.087 -0.108 2
1 426 . 1 1 A 42 42 LYS C C 42 175.675 174.650 1.025 2
1 431 . 1 1 A 43 43 ILE N N 43 127.421 126.346 1.075 2
1 432 . 1 1 A 43 43 ILE H H 43 8.706 8.752 -0.046 2
1 433 . 1 1 A 43 43 ILE CA C 43 60.336 60.252 0.084 2
1 434 . 1 1 A 43 43 ILE HA H 43 4.695 4.641 0.054 2
1 435 . 1 1 A 43 43 ILE CB C 43 39.322 38.475 0.847 2
1 447 . 1 1 A 43 43 ILE C C 43 174.542 174.530 0.012 2
1 449 . 1 1 A 44 44 ASP N N 44 127.995 127.522 0.473 2
1 450 . 1 1 A 44 44 ASP H H 44 8.861 8.833 0.028 2
1 451 . 1 1 A 44 44 ASP CA C 44 53.245 52.826 0.419 2
1 452 . 1 1 A 44 44 ASP HA H 44 4.817 5.385 -0.568 2
1 453 . 1 1 A 44 44 ASP CB C 44 44.577 43.977 0.600 2
1 455 . 1 1 A 44 44 ASP C C 44 173.768 174.741 -0.973 2
1 457 . 1 1 A 45 45 ALA N N 45 127.601 126.213 1.388 2
1 458 . 1 1 A 45 45 ALA H H 45 8.819 8.972 -0.153 2
1 459 . 1 1 A 45 45 ALA CA C 45 50.180 50.990 -0.810 2
1 460 . 1 1 A 45 45 ALA HA H 45 5.859 5.329 0.530 2
1 461 . 1 1 A 45 45 ALA CB C 45 21.379 21.650 -0.271 2
1 465 . 1 1 A 45 45 ALA C C 45 175.393 175.996 -0.603 2
1 466 . 1 1 A 46 46 LYS N N 46 122.427 122.485 -0.058 2
1 467 . 1 1 A 46 46 LYS H H 46 8.723 8.578 0.145 2
1 468 . 1 1 A 46 46 LYS CA C 46 55.090 54.751 0.339 2
1 469 . 1 1 A 46 46 LYS HA H 46 5.057 4.985 0.072 2
1 470 . 1 1 A 46 46 LYS CB C 46 37.534 36.554 0.980 2
1 478 . 1 1 A 46 46 LYS C C 46 173.473 174.545 -1.072 2
1 483 . 1 1 A 47 47 VAL N N 47 120.177 122.428 -2.251 2
1 484 . 1 1 A 47 47 VAL H H 47 8.989 8.806 0.183 2
1 485 . 1 1 A 47 47 VAL CA C 47 59.152 60.263 -1.111 2
1 486 . 1 1 A 47 47 VAL HA H 47 4.875 4.741 0.134 2
1 487 . 1 1 A 47 47 VAL CB C 47 34.502 33.928 0.574 2
1 497 . 1 1 A 47 47 VAL C C 47 173.786 174.226 -0.440 2
1 498 . 1 1 A 48 48 HIS N N 48 127.949 127.935 0.014 2
1 499 . 1 1 A 48 48 HIS H H 48 9.661 9.260 0.401 2
1 500 . 1 1 A 48 48 HIS CA C 48 53.917 55.232 -1.315 2
1 501 . 1 1 A 48 48 HIS HA H 48 5.238 5.205 0.033 2
1 502 . 1 1 A 48 48 HIS CB C 48 30.549 32.595 -2.046 2
1 508 . 1 1 A 48 48 HIS C C 48 175.556 174.560 0.996 2
1 510 . 1 1 A 49 49 SER N N 49 121.639 115.532 6.107 2
1 511 . 1 1 A 49 49 SER H H 49 9.114 8.498 0.616 2
1 512 . 1 1 A 49 49 SER CA C 49 56.693 55.362 1.331 2
1 513 . 1 1 A 49 49 SER HA H 49 4.391 4.914 -0.523 2
1 514 . 1 1 A 49 49 SER CB C 49 63.160 65.474 -2.314 2
1 516 . 1 1 A 49 49 SER C C 49 174.390 174.358 0.032 2
1 518 . 1 1 A 50 50 PRO CA C 50 65.732 64.214 1.518 2
1 519 . 1 1 A 50 50 PRO HA H 50 4.247 4.495 -0.248 2
1 520 . 1 1 A 50 50 PRO CB C 50 31.516 31.685 -0.169 2
1 526 . 1 1 A 50 50 PRO C C 50 177.969 177.396 0.573 2
1 530 . 1 1 A 51 51 SER N N 51 110.808 111.898 -1.090 2
1 531 . 1 1 A 51 51 SER H H 51 8.539 7.780 0.759 2
1 532 . 1 1 A 51 51 SER CA C 51 59.311 58.498 0.813 2
1 533 . 1 1 A 51 51 SER HA H 51 4.331 4.508 -0.177 2
1 534 . 1 1 A 51 51 SER CB C 51 62.767 63.892 -1.125 2
1 536 . 1 1 A 51 51 SER C C 51 175.339 174.741 0.598 2
1 538 . 1 1 A 52 52 GLY N N 52 110.692 109.734 0.958 2
1 539 . 1 1 A 52 52 GLY H H 52 8.181 7.976 0.205 2
1 540 . 1 1 A 52 52 GLY CA C 52 44.862 45.714 -0.852 2
1 541 . 1 1 A 52 52 GLY HA3 H 52 4.444 4.024 0.420 2
1 542 . 1 1 A 52 52 GLY C C 52 174.389 174.137 0.252 2
1 543 . 1 1 A 52 52 GLY HA2 H 52 3.634 4.010 -0.376 2
1 544 . 1 1 A 53 53 ALA N N 53 124.417 122.520 1.897 2
1 545 . 1 1 A 53 53 ALA H H 53 7.419 7.700 -0.281 2
1 546 . 1 1 A 53 53 ALA CA C 53 52.538 50.518 2.020 2
1 547 . 1 1 A 53 53 ALA HA H 53 4.373 4.751 -0.378 2
1 548 . 1 1 A 53 53 ALA CB C 53 19.207 22.203 -2.996 2
1 552 . 1 1 A 53 53 ALA C C 53 176.519 175.875 0.644 2
1 553 . 1 1 A 54 54 VAL N N 54 121.228 121.191 0.037 2
1 554 . 1 1 A 54 54 VAL H H 54 8.429 8.829 -0.400 2
1 555 . 1 1 A 54 54 VAL CA C 54 60.672 61.323 -0.651 2
1 556 . 1 1 A 54 54 VAL HA H 54 4.980 4.506 0.474 2
1 557 . 1 1 A 54 54 VAL CB C 54 33.933 33.761 0.172 2
1 567 . 1 1 A 54 54 VAL C C 54 175.443 174.907 0.536 2
1 568 . 1 1 A 55 55 GLU N N 55 126.290 127.088 -0.798 2
1 569 . 1 1 A 55 55 GLU H H 55 8.640 8.847 -0.207 2
1 570 . 1 1 A 55 55 GLU CA C 55 54.306 54.615 -0.309 2
1 571 . 1 1 A 55 55 GLU HA H 55 4.754 4.824 -0.070 2
1 572 . 1 1 A 55 55 GLU CB C 55 33.612 32.250 1.362 2
1 576 . 1 1 A 55 55 GLU C C 55 175.073 175.126 -0.053 2
1 579 . 1 1 A 56 56 GLU N N 56 123.200 122.562 0.638 2
1 580 . 1 1 A 56 56 GLU H H 56 8.878 8.744 0.134 2
1 581 . 1 1 A 56 56 GLU CA C 56 56.966 55.486 1.480 2
1 582 . 1 1 A 56 56 GLU HA H 56 4.479 4.916 -0.437 2
1 583 . 1 1 A 56 56 GLU CB C 56 30.258 32.005 -1.747 2
1 587 . 1 1 A 56 56 GLU C C 56 177.592 175.483 2.109 2
1 590 . 1 1 A 57 57 CYS N N 57 121.919 124.906 -2.987 2
1 591 . 1 1 A 57 57 CYS H H 57 8.496 8.343 0.153 2
1 592 . 1 1 A 57 57 CYS CA C 57 59.030 57.986 1.044 2
1 593 . 1 1 A 57 57 CYS HA H 57 4.690 5.074 -0.384 2
1 594 . 1 1 A 57 57 CYS CB C 57 29.620 28.565 1.055 2
1 596 . 1 1 A 57 57 CYS C C 57 173.871 174.283 -0.412 2
1 598 . 1 1 A 58 58 HIS N N 58 123.415 124.436 -1.021 2
1 599 . 1 1 A 58 58 HIS H H 58 8.961 8.670 0.291 2
1 600 . 1 1 A 58 58 HIS CA C 58 56.751 56.746 0.005 2
1 601 . 1 1 A 58 58 HIS HA H 58 4.725 4.598 0.127 2
1 602 . 1 1 A 58 58 HIS CB C 58 31.813 29.990 1.823 2
1 608 . 1 1 A 58 58 HIS C C 58 174.903 173.632 1.271 2
1 610 . 1 1 A 59 59 VAL N N 59 128.900 129.015 -0.115 2
1 611 . 1 1 A 59 59 VAL H H 59 8.521 8.860 -0.339 2
1 612 . 1 1 A 59 59 VAL CA C 59 61.131 61.069 0.062 2
1 613 . 1 1 A 59 59 VAL HA H 59 5.142 4.702 0.440 2
1 614 . 1 1 A 59 59 VAL CB C 59 33.825 33.163 0.662 2
1 624 . 1 1 A 59 59 VAL C C 59 175.539 174.521 1.018 2
1 625 . 1 1 A 60 60 SER N N 60 120.428 122.875 -2.447 2
1 626 . 1 1 A 60 60 SER H H 60 8.995 8.749 0.246 2
1 627 . 1 1 A 60 60 SER CA C 60 56.782 56.408 0.374 2
1 628 . 1 1 A 60 60 SER HA H 60 4.823 5.207 -0.384 2
1 629 . 1 1 A 60 60 SER CB C 60 65.880 65.065 0.815 2
1 631 . 1 1 A 60 60 SER C C 60 172.353 172.554 -0.201 2
1 633 . 1 1 A 61 61 GLU N N 61 125.163 126.281 -1.118 2
1 634 . 1 1 A 61 61 GLU H H 61 8.894 8.695 0.199 2
1 635 . 1 1 A 61 61 GLU CA C 61 57.081 55.277 1.804 2
1 636 . 1 1 A 61 61 GLU HA H 61 3.545 4.031 -0.486 2
1 637 . 1 1 A 61 61 GLU CB C 61 30.675 29.417 1.258 2
1 641 . 1 1 A 61 61 GLU C C 61 176.353 175.472 0.881 2
1 644 . 1 1 A 62 62 LEU N N 62 129.563 128.597 0.966 2
1 645 . 1 1 A 62 62 LEU H H 62 8.800 8.678 0.123 2
1 646 . 1 1 A 62 62 LEU CA C 62 56.462 56.000 0.462 2
1 647 . 1 1 A 62 62 LEU HA H 62 4.341 4.306 0.034 2
1 648 . 1 1 A 62 62 LEU CB C 62 44.020 42.711 1.309 2
1 660 . 1 1 A 62 62 LEU C C 62 176.662 176.861 -0.199 2
1 662 . 1 1 A 63 63 GLU N N 63 117.143 117.570 -0.427 2
1 663 . 1 1 A 63 63 GLU H H 63 8.292 7.335 0.958 2
1 664 . 1 1 A 63 63 GLU CA C 63 53.777 53.108 0.669 2
1 665 . 1 1 A 63 63 GLU HA H 63 4.655 4.696 -0.041 2
1 666 . 1 1 A 63 63 GLU CB C 63 29.768 31.304 -1.536 2
1 670 . 1 1 A 63 63 GLU C C 63 172.058 176.113 -4.055 2
1 673 . 1 1 A 64 64 PRO CA C 64 65.767 64.329 1.438 2
1 674 . 1 1 A 64 64 PRO HA H 64 4.227 4.537 -0.310 2
1 675 . 1 1 A 64 64 PRO CB C 64 31.005 31.824 -0.819 2
1 681 . 1 1 A 64 64 PRO C C 64 177.068 176.665 0.403 2
1 685 . 1 1 A 65 65 ASP N N 65 118.425 116.662 1.763 2
1 686 . 1 1 A 65 65 ASP H H 65 8.965 8.445 0.520 2
1 687 . 1 1 A 65 65 ASP CA C 65 55.827 53.973 1.854 2
1 688 . 1 1 A 65 65 ASP HA H 65 4.589 4.932 -0.343 2
1 689 . 1 1 A 65 65 ASP CB C 65 43.713 42.432 1.281 2
1 691 . 1 1 A 65 65 ASP C C 65 174.921 175.305 -0.384 2
1 693 . 1 1 A 66 66 LYS N N 66 120.940 119.843 1.097 2
1 694 . 1 1 A 66 66 LYS H H 66 8.476 7.480 0.996 2
1 695 . 1 1 A 66 66 LYS CA C 66 55.938 55.635 0.303 2
1 696 . 1 1 A 66 66 LYS HA H 66 5.476 5.168 0.308 2
1 697 . 1 1 A 66 66 LYS CB C 66 36.812 36.155 0.657 2
1 705 . 1 1 A 66 66 LYS C C 66 173.912 174.209 -0.297 2
1 710 . 1 1 A 67 67 TYR N N 67 126.047 123.363 2.684 2
1 711 . 1 1 A 67 67 TYR H H 67 9.291 8.874 0.417 2
1 712 . 1 1 A 67 67 TYR CA C 67 56.589 56.534 0.055 2
1 713 . 1 1 A 67 67 TYR HA H 67 5.136 5.263 -0.127 2
1 714 . 1 1 A 67 67 TYR CB C 67 41.933 43.433 -1.500 2
1 724 . 1 1 A 67 67 TYR C C 67 174.424 174.303 0.121 2
1 726 . 1 1 A 68 68 ALA N N 68 123.234 123.112 0.121 2
1 727 . 1 1 A 68 68 ALA H H 68 9.393 8.563 0.830 2
1 728 . 1 1 A 68 68 ALA CA C 68 50.620 50.404 0.216 2
1 729 . 1 1 A 68 68 ALA HA H 68 5.002 5.365 -0.363 2
1 730 . 1 1 A 68 68 ALA CB C 68 21.211 22.475 -1.264 2
1 734 . 1 1 A 68 68 ALA C C 68 176.258 175.748 0.510 2
1 735 . 1 1 A 69 69 VAL N N 69 121.910 121.579 0.331 2
1 736 . 1 1 A 69 69 VAL H H 69 8.412 8.520 -0.108 2
1 737 . 1 1 A 69 69 VAL CA C 69 61.147 61.164 -0.017 2
1 738 . 1 1 A 69 69 VAL HA H 69 4.587 4.766 -0.179 2
1 739 . 1 1 A 69 69 VAL CB C 69 32.409 33.866 -1.457 2
1 749 . 1 1 A 69 69 VAL C C 69 174.300 173.779 0.521 2
1 750 . 1 1 A 70 70 ARG N N 70 125.218 129.591 -4.373 2
1 751 . 1 1 A 70 70 ARG H H 70 8.926 9.201 -0.275 2
1 752 . 1 1 A 70 70 ARG CA C 70 54.404 54.728 -0.324 2
1 753 . 1 1 A 70 70 ARG HA H 70 5.665 5.027 0.638 2
1 754 . 1 1 A 70 70 ARG CB C 70 34.966 31.902 3.064 2
1 760 . 1 1 A 70 70 ARG C C 70 175.124 175.150 -0.026 2
1 764 . 1 1 A 71 71 PHE N N 71 120.657 120.391 0.266 2
1 765 . 1 1 A 71 71 PHE H H 71 8.780 8.868 -0.088 2
1 766 . 1 1 A 71 71 PHE CA C 71 55.969 56.237 -0.268 2
1 767 . 1 1 A 71 71 PHE HA H 71 5.082 5.106 -0.024 2
1 768 . 1 1 A 71 71 PHE CB C 71 41.335 41.277 0.058 2
1 780 . 1 1 A 71 71 PHE C C 71 171.920 172.074 -0.154 2
1 782 . 1 1 A 72 72 ILE N N 72 120.347 121.760 -1.413 2
1 783 . 1 1 A 72 72 ILE H H 72 8.714 8.936 -0.222 2
1 784 . 1 1 A 72 72 ILE CA C 72 57.669 58.002 -0.333 2
1 785 . 1 1 A 72 72 ILE HA H 72 4.469 4.491 -0.022 2
1 786 . 1 1 A 72 72 ILE CB C 72 39.824 38.701 1.123 2
1 798 . 1 1 A 72 72 ILE C C 72 173.612 174.980 -1.368 2
1 800 . 1 1 A 73 73 PRO CA C 73 62.050 62.315 -0.265 2
1 801 . 1 1 A 73 73 PRO HA H 73 4.493 4.876 -0.383 2
1 802 . 1 1 A 73 73 PRO CB C 73 33.680 29.237 4.443 2
1 808 . 1 1 A 73 73 PRO C C 73 176.990 175.537 1.453 2
1 812 . 1 1 A 74 74 HIS N N 74 119.655 117.640 2.015 2
1 813 . 1 1 A 74 74 HIS H H 74 10.240 8.554 1.686 2
1 814 . 1 1 A 74 74 HIS CA C 74 54.660 53.794 0.866 2
1 815 . 1 1 A 74 74 HIS HA H 74 5.035 5.683 -0.648 2
1 816 . 1 1 A 74 74 HIS CB C 74 30.530 31.659 -1.129 2
1 822 . 1 1 A 74 74 HIS C C 74 173.624 174.018 -0.394 2
1 824 . 1 1 A 75 75 GLU N N 75 118.178 123.282 -5.104 2
1 825 . 1 1 A 75 75 GLU H H 75 7.772 8.816 -1.044 2
1 826 . 1 1 A 75 75 GLU CA C 75 54.166 54.428 -0.262 2
1 827 . 1 1 A 75 75 GLU HA H 75 4.654 4.752 -0.098 2
1 828 . 1 1 A 75 75 GLU CB C 75 33.422 33.407 0.015 2
1 832 . 1 1 A 75 75 GLU C C 75 173.599 175.506 -1.907 2
1 835 . 1 1 A 76 76 ASN N N 76 116.760 118.073 -1.313 2
1 836 . 1 1 A 76 76 ASN H H 76 8.530 8.563 -0.033 2
1 837 . 1 1 A 76 76 ASN CA C 76 53.486 51.925 1.561 2
1 838 . 1 1 A 76 76 ASN HA H 76 4.606 5.082 -0.476 2
1 839 . 1 1 A 76 76 ASN CB C 76 40.184 38.819 1.365 2
1 844 . 1 1 A 76 76 ASN C C 76 175.598 175.045 0.553 2
1 846 . 1 1 A 77 77 GLY N N 77 106.497 107.941 -1.444 2
1 847 . 1 1 A 77 77 GLY H H 77 9.152 7.526 1.626 2
1 848 . 1 1 A 77 77 GLY CA C 77 43.752 46.135 -2.383 2
1 849 . 1 1 A 77 77 GLY HA3 H 77 4.797 4.128 0.669 2
1 850 . 1 1 A 77 77 GLY C C 77 176.329 171.971 4.358 2
1 851 . 1 1 A 77 77 GLY HA2 H 77 3.897 4.103 -0.206 2
1 852 . 1 1 A 78 78 VAL N N 78 124.582 122.328 2.254 2
1 853 . 1 1 A 78 78 VAL H H 78 9.334 8.333 1.001 2
1 854 . 1 1 A 78 78 VAL CA C 78 64.642 61.097 3.545 2
1 855 . 1 1 A 78 78 VAL HA H 78 4.399 4.917 -0.518 2
1 856 . 1 1 A 78 78 VAL CB C 78 31.464 33.880 -2.416 2
1 866 . 1 1 A 78 78 VAL C C 78 176.269 175.276 0.993 2
1 867 . 1 1 A 79 79 HIS N N 79 129.160 125.904 3.256 2
1 868 . 1 1 A 79 79 HIS H H 79 9.854 9.203 0.651 2
1 869 . 1 1 A 79 79 HIS CA C 79 55.150 55.539 -0.389 2
1 870 . 1 1 A 79 79 HIS HA H 79 4.921 5.348 -0.427 2
1 871 . 1 1 A 79 79 HIS CB C 79 30.772 32.180 -1.408 2
1 877 . 1 1 A 79 79 HIS C C 79 174.062 175.042 -0.980 2
1 879 . 1 1 A 80 80 THR N N 80 116.006 115.151 0.855 2
1 880 . 1 1 A 80 80 THR H H 80 8.526 8.683 -0.157 2
1 881 . 1 1 A 80 80 THR CA C 80 60.983 61.675 -0.692 2
1 882 . 1 1 A 80 80 THR HA H 80 5.380 5.209 0.171 2
1 883 . 1 1 A 80 80 THR CB C 80 70.590 71.397 -0.807 2
1 889 . 1 1 A 80 80 THR C C 80 173.671 173.343 0.328 2
1 890 . 1 1 A 81 81 ILE N N 81 127.414 128.773 -1.359 2
1 891 . 1 1 A 81 81 ILE H H 81 9.745 9.152 0.593 2
1 892 . 1 1 A 81 81 ILE CA C 81 60.037 60.840 -0.803 2
1 893 . 1 1 A 81 81 ILE HA H 81 4.867 4.488 0.379 2
1 894 . 1 1 A 81 81 ILE CB C 81 39.883 38.330 1.553 2
1 906 . 1 1 A 81 81 ILE C C 81 175.279 174.825 0.454 2
1 908 . 1 1 A 82 82 ASP N N 82 128.375 127.695 0.680 2
1 909 . 1 1 A 82 82 ASP H H 82 9.157 8.926 0.231 2
1 910 . 1 1 A 82 82 ASP CA C 82 53.084 53.016 0.068 2
1 911 . 1 1 A 82 82 ASP HA H 82 5.060 5.272 -0.212 2
1 912 . 1 1 A 82 82 ASP CB C 82 42.929 42.638 0.291 2
1 914 . 1 1 A 82 82 ASP C C 82 175.923 174.902 1.021 2
1 916 . 1 1 A 83 83 VAL N N 83 125.651 125.931 -0.280 2
1 917 . 1 1 A 83 83 VAL H H 83 9.897 8.857 1.040 2
1 918 . 1 1 A 83 83 VAL CA C 83 62.407 61.563 0.844 2
1 919 . 1 1 A 83 83 VAL HA H 83 4.553 4.777 -0.224 2
1 920 . 1 1 A 83 83 VAL CB C 83 33.233 32.865 0.368 2
1 930 . 1 1 A 83 83 VAL C C 83 173.327 174.995 -1.668 2
1 931 . 1 1 A 84 84 LYS N N 84 124.405 127.154 -2.749 2
1 932 . 1 1 A 84 84 LYS H H 84 8.874 8.792 0.082 2
1 933 . 1 1 A 84 84 LYS CA C 84 53.901 54.601 -0.700 2
1 934 . 1 1 A 84 84 LYS HA H 84 5.065 4.927 0.138 2
1 935 . 1 1 A 84 84 LYS CB C 84 36.851 35.209 1.642 2
1 943 . 1 1 A 84 84 LYS C C 84 174.760 174.822 -0.062 2
1 948 . 1 1 A 85 85 PHE N N 85 120.871 124.370 -3.499 2
1 949 . 1 1 A 85 85 PHE H H 85 9.167 9.153 0.014 2
1 950 . 1 1 A 85 85 PHE CA C 85 56.014 57.510 -1.496 2
1 951 . 1 1 A 85 85 PHE HA H 85 5.157 4.969 0.188 2
1 952 . 1 1 A 85 85 PHE CB C 85 42.916 41.808 1.108 2
1 964 . 1 1 A 85 85 PHE C C 85 175.473 174.880 0.593 2
1 966 . 1 1 A 86 86 ASN N N 86 126.732 125.113 1.619 2
1 967 . 1 1 A 86 86 ASN H H 86 8.714 8.826 -0.112 2
1 968 . 1 1 A 86 86 ASN CA C 86 53.835 54.032 -0.197 2
1 969 . 1 1 A 86 86 ASN HA H 86 4.216 4.263 -0.047 2
1 970 . 1 1 A 86 86 ASN CB C 86 36.789 37.297 -0.508 2
1 975 . 1 1 A 86 86 ASN C C 86 175.700 175.041 0.659 2
1 977 . 1 1 A 87 87 GLY N N 87 102.449 104.941 -2.492 2
1 978 . 1 1 A 87 87 GLY H H 87 8.986 8.623 0.363 2
1 979 . 1 1 A 87 87 GLY CA C 87 45.490 46.507 -1.017 2
1 980 . 1 1 A 87 87 GLY HA3 H 87 4.223 3.927 0.296 2
1 981 . 1 1 A 87 87 GLY C C 87 174.149 173.552 0.597 2
1 982 . 1 1 A 87 87 GLY HA2 H 87 3.555 3.916 -0.361 2
1 983 . 1 1 A 88 88 SER N N 88 116.260 113.692 2.568 2
1 984 . 1 1 A 88 88 SER H H 88 7.670 7.715 -0.045 2
1 985 . 1 1 A 88 88 SER CA C 88 57.194 57.597 -0.403 2
1 986 . 1 1 A 88 88 SER HA H 88 4.935 4.794 0.141 2
1 987 . 1 1 A 88 88 SER CB C 88 65.421 66.276 -0.855 2
1 989 . 1 1 A 88 88 SER C C 88 173.491 173.171 0.321 2
1 991 . 1 1 A 89 89 HIS N N 89 124.290 125.109 -0.819 2
1 992 . 1 1 A 89 89 HIS H H 89 8.847 8.938 -0.091 2
1 993 . 1 1 A 89 89 HIS CA C 89 59.048 56.529 2.519 2
1 994 . 1 1 A 89 89 HIS HA H 89 4.543 4.810 -0.267 2
1 995 . 1 1 A 89 89 HIS CB C 89 32.463 29.743 2.720 2
1 1001 . 1 1 A 89 89 HIS C C 89 177.441 175.421 2.020 2
1 1003 . 1 1 A 90 90 VAL N N 90 116.253 122.467 -6.214 2
1 1004 . 1 1 A 90 90 VAL H H 90 8.283 8.130 0.153 2
1 1005 . 1 1 A 90 90 VAL CA C 90 60.279 62.313 -2.034 2
1 1006 . 1 1 A 90 90 VAL HA H 90 4.291 4.025 0.266 2
1 1007 . 1 1 A 90 90 VAL CB C 90 31.601 32.968 -1.367 2
1 1017 . 1 1 A 90 90 VAL C C 90 176.074 175.725 0.349 2
1 1018 . 1 1 A 91 91 VAL N N 91 123.139 121.510 1.629 2
1 1019 . 1 1 A 91 91 VAL H H 91 8.910 8.463 0.447 2
1 1020 . 1 1 A 91 91 VAL CA C 91 66.030 63.229 2.801 2
1 1021 . 1 1 A 91 91 VAL HA H 91 3.632 3.870 -0.238 2
1 1022 . 1 1 A 91 91 VAL CB C 91 30.897 31.603 -0.706 2
1 1032 . 1 1 A 91 91 VAL C C 91 177.012 176.475 0.537 2
1 1033 . 1 1 A 92 92 GLY N N 92 116.727 115.240 1.487 2
1 1034 . 1 1 A 92 92 GLY H H 92 8.396 8.762 -0.366 2
1 1035 . 1 1 A 92 92 GLY CA C 92 44.466 45.735 -1.269 2
1 1036 . 1 1 A 92 92 GLY HA3 H 92 4.180 3.713 0.467 2
1 1037 . 1 1 A 92 92 GLY C C 92 172.077 172.866 -0.789 2
1 1038 . 1 1 A 92 92 GLY HA2 H 92 3.221 3.654 -0.433 2
1 1039 . 1 1 A 93 93 SER N N 93 112.885 115.190 -2.305 2
1 1040 . 1 1 A 93 93 SER H H 93 7.484 7.477 0.007 2
1 1041 . 1 1 A 93 93 SER CA C 93 54.547 54.621 -0.074 2
1 1042 . 1 1 A 93 93 SER HA H 93 4.065 4.296 -0.231 2
1 1043 . 1 1 A 93 93 SER CB C 93 62.575 65.235 -2.660 2
1 1045 . 1 1 A 93 93 SER C C 93 174.608 172.265 2.343 2
1 1047 . 1 1 A 94 94 PRO CA C 94 62.477 62.295 0.182 2
1 1048 . 1 1 A 94 94 PRO HA H 94 5.491 4.607 0.884 2
1 1049 . 1 1 A 94 94 PRO CB C 94 34.106 32.445 1.661 2
1 1055 . 1 1 A 94 94 PRO C C 94 176.779 175.429 1.350 2
1 1059 . 1 1 A 95 95 PHE N N 95 123.133 119.710 3.423 2
1 1060 . 1 1 A 95 95 PHE H H 95 9.200 8.431 0.769 2
1 1061 . 1 1 A 95 95 PHE CA C 95 57.291 57.258 0.033 2
1 1062 . 1 1 A 95 95 PHE HA H 95 4.581 4.939 -0.358 2
1 1063 . 1 1 A 95 95 PHE CB C 95 41.165 41.455 -0.290 2
1 1075 . 1 1 A 95 95 PHE C C 95 175.687 175.114 0.573 2
1 1077 . 1 1 A 96 96 LYS N N 96 122.134 119.796 2.338 2
1 1078 . 1 1 A 96 96 LYS H H 96 8.790 8.920 -0.130 2
1 1079 . 1 1 A 96 96 LYS CA C 96 55.249 54.804 0.445 2
1 1080 . 1 1 A 96 96 LYS HA H 96 5.276 5.272 0.004 2
1 1081 . 1 1 A 96 96 LYS CB C 96 33.836 35.473 -1.637 2
1 1089 . 1 1 A 96 96 LYS C C 96 176.515 175.558 0.957 2
1 1094 . 1 1 A 97 97 VAL N N 97 117.706 118.226 -0.520 2
1 1095 . 1 1 A 97 97 VAL H H 97 8.873 8.601 0.272 2
1 1096 . 1 1 A 97 97 VAL CA C 97 59.188 59.208 -0.020 2
1 1097 . 1 1 A 97 97 VAL HA H 97 4.917 4.909 0.008 2
1 1098 . 1 1 A 97 97 VAL CB C 97 35.185 35.876 -0.691 2
1 1108 . 1 1 A 97 97 VAL C C 97 173.801 173.805 -0.004 2
1 1109 . 1 1 A 98 98 ARG N N 98 125.203 123.739 1.464 2
1 1110 . 1 1 A 98 98 ARG H H 98 8.826 8.837 -0.011 2
1 1111 . 1 1 A 98 98 ARG CA C 98 56.337 54.913 1.424 2
1 1112 . 1 1 A 98 98 ARG HA H 98 4.610 5.045 -0.435 2
1 1113 . 1 1 A 98 98 ARG CB C 98 32.031 32.572 -0.542 2
1 1119 . 1 1 A 98 98 ARG C C 98 174.438 175.281 -0.843 2
1 1123 . 1 1 A 99 99 VAL N N 99 127.382 126.601 0.781 2
1 1124 . 1 1 A 99 99 VAL H H 99 8.144 8.832 -0.688 2
1 1125 . 1 1 A 99 99 VAL CA C 99 61.216 61.858 -0.642 2
1 1126 . 1 1 A 99 99 VAL HA H 99 4.115 4.530 -0.415 2
1 1127 . 1 1 A 99 99 VAL CB C 99 32.590 32.758 -0.168 2
1 1137 . 1 1 A 99 99 VAL C C 99 176.994 175.155 1.839 2
1 1138 . 1 1 A 100 100 GLY N N 100 117.424 114.025 3.399 2
1 1139 . 1 1 A 100 100 GLY H H 100 8.682 8.273 0.409 2
1 1140 . 1 1 A 100 100 GLY CA C 100 44.650 45.401 -0.751 2
1 1141 . 1 1 A 100 100 GLY HA3 H 100 4.386 4.180 0.206 2
1 1142 . 1 1 A 100 100 GLY C C 100 173.180 172.572 0.608 2
1 1143 . 1 1 A 100 100 GLY HA2 H 100 3.954 4.177 -0.223 2
1 1144 . 1 1 A 101 101 GLU N N 101 119.495 120.217 -0.722 2
1 1145 . 1 1 A 101 101 GLU H H 101 8.383 8.564 -0.181 2
1 1146 . 1 1 A 101 101 GLU CA C 101 54.168 54.286 -0.118 2
1 1147 . 1 1 A 101 101 GLU HA H 101 4.661 4.725 -0.064 2
1 1148 . 1 1 A 101 101 GLU CB C 101 29.836 30.924 -1.088 2
1 1152 . 1 1 A 101 101 GLU C C 101 175.458 175.723 -0.265 2
1 1155 . 1 1 A 102 102 PRO CA C 102 63.897 63.454 0.443 2
1 1156 . 1 1 A 102 102 PRO HA H 102 4.361 4.518 -0.157 2
1 1157 . 1 1 A 102 102 PRO CB C 102 31.946 31.977 -0.031 2
1 1163 . 1 1 A 102 102 PRO C C 102 177.509 176.762 0.747 2
1 1167 . 1 1 A 103 103 GLY N N 103 109.378 108.407 0.971 2
1 1168 . 1 1 A 103 103 GLY H H 103 8.552 8.074 0.478 2
1 1169 . 1 1 A 103 103 GLY CA C 103 45.263 45.201 0.062 2
1 1170 . 1 1 A 103 103 GLY HA3 H 103 3.962 4.068 -0.106 2
1 1171 . 1 1 A 103 103 GLY C C 103 174.277 173.227 1.050 2
1 1172 . 1 1 A 103 103 GLY HA2 H 103 3.962 4.067 -0.105 2
1 1173 . 1 1 A 104 104 GLN N N 104 119.735 120.882 -1.147 2
1 1174 . 1 1 A 104 104 GLN H H 104 8.096 8.495 -0.399 2
1 1175 . 1 1 A 104 104 GLN CA C 104 55.924 55.591 0.333 2
1 1176 . 1 1 A 104 104 GLN HA H 104 4.339 4.541 -0.202 2
1 1177 . 1 1 A 104 104 GLN CB C 104 29.622 29.799 -0.177 2
1 1184 . 1 1 A 104 104 GLN C C 104 175.669 175.418 0.251 2
1 1187 . 1 1 A 105 105 ALA N N 105 125.603 126.104 -0.501 2
1 1188 . 1 1 A 105 105 ALA H H 105 8.389 8.474 -0.085 2
1 1189 . 1 1 A 105 105 ALA CA C 105 52.416 52.789 -0.373 2
1 1190 . 1 1 A 105 105 ALA HA H 105 4.385 4.433 -0.048 2
1 1191 . 1 1 A 105 105 ALA CB C 105 19.608 19.895 -0.287 2
1 1195 . 1 1 A 105 105 ALA C C 105 176.971 177.247 -0.276 2
stop_
save_